smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccc(C)cc1 447511588 UQFYIQLZJBJPJZ-VQTJNVASSA-N 292.426 5.059 30 20 CKED C[C@H](S[C@@H](C)c1cccs1)c1cccc(C#N)c1 785448575 LQAYLJAOSCXXBJ-RYUDHWBXSA-N 273.426 5.175 30 20 CKED CC[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 414194196 XRAUXEWBJOKDSS-SCLBCKFNSA-N 298.817 5.014 30 20 CKED C=CCCC(=O)Nc1ccc(Sc2ccccc2)cc1C 522538466 HVYHVBRGOJCCSX-UHFFFAOYSA-N 297.423 5.051 30 20 CKED O=C(/C=C\c1cccs1)c1cc(Cl)sc1Cl 744868961 MEAJAYRZBUNTQC-ARJAWSKDSA-N 289.208 5.013 30 20 CKED CC(C)CC[C@H](NCCCCC#N)c1ccc(Cl)cc1 531705145 YOEHUAZCVQLXIL-KRWDZBQOSA-N 292.854 5.101 30 20 CKED C[C@@H](CCc1ccccc1)SCCCC(C)(C)C#N 480383405 GKAIGERHQBWADP-HNNXBMFYSA-N 275.461 5.071 30 20 CKED Cc1ccsc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 340450356 MNRQDBWKRAGRFH-DOTOQJQBSA-N 298.455 5.142 30 20 CKED COc1ccccc1[C@H](C)S[C@@H](C)c1ccc(C#N)cc1 463205614 MVCHHFJUXLSNRC-KBPBESRZSA-N 297.423 5.122 30 20 CKED C=CCC[C@H](NCCCCC(F)(F)F)c1ccccc1 539359052 CJQMCFBRQBXCDE-HNNXBMFYSA-N 285.353 5.016 30 20 CKED Cc1cccc([C@@H](NCCCC(C)(C)C#N)C(C)(C)C)c1 538237482 ZIAMODGEJVTQSF-QGZVFWFLSA-N 286.463 5.002 30 20 CKED CC(C)c1ccc(SCc2ccc(OCC#N)cc2)cc1 729241664 VGPLFZXTGFCADG-UHFFFAOYSA-N 297.423 5.005 30 20 CKED C[C@@H](Nc1ccc(C#N)cc1F)c1csc2ccccc12 729987285 WTCSFXFMOMMYEW-LLVKDONJSA-N 296.370 5.085 30 20 CKED CCc1ccccc1NN=CC1CCC(C(F)(F)F)CC1 767355885 LZNHRKHUTJMHRC-UHFFFAOYSA-N 298.352 5.015 30 20 CKED CCCCCCCCCC(=O)Nc1c(C)cc(C)nc1C 914721717 HDBLQFMIAMVFRD-UHFFFAOYSA-N 290.451 5.086 30 20 CKED CC[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1 447510891 QYNHDNJSNGURBJ-FZKQIMNGSA-N 298.817 5.014 30 20 CKED CC(CCC1CCCC1)=NNc1nccc2sccc12 740761952 SFEWLFJCIASKHR-UHFFFAOYSA-N 287.432 5.055 30 20 CKED C[C@H](Sc1ccccc1C#N)c1ccc(Cl)cc1 557884806 WJVYRTBLPNMPIG-NSHDSACASA-N 273.788 5.065 30 20 CKED CC(C)Oc1ccccc1CSCCCC(C)(C)C#N 480391844 WLUDRANTZIDAOD-UHFFFAOYSA-N 291.460 5.037 30 20 CKED C[C@H](S[C@H](C)c1cccs1)c1ccc(C#N)cc1 737404030 OTULMJNOIXMJOV-NWDGAFQWSA-N 273.426 5.175 30 20 CKED CC(C)c1ccc(C(=O)/C=C/c2scnc2C2CC2)cc1 782306646 ORNJMUKYWCYGNS-MDZDMXLPSA-N 297.423 5.040 30 20 CKED CC(C)=CCC/C(C)=C/C=NNc1cccc2ncccc12 915964768 NHEQWZNBDVUWHX-NKDQPBEUSA-N 293.414 5.325 30 20 CKED CC[C@@H](S[C@H](C#N)Cc1ccccc1)c1ccccc1 610708231 SHDITPXAOWZWOA-ZWKOTPCHSA-N 281.424 5.006 30 20 CKED CCC(CC)[C@@H](NCCCC(C)(C)C#N)c1cccs1 539280534 OEEJYSPMINBZQQ-MRXNPFEDSA-N 292.492 5.145 30 20 CKED C[C@@H](SCCCC(C)(C)C#N)c1cc(F)ccc1F 480388897 NWVKPPSJVLLBEZ-LLVKDONJSA-N 283.387 5.089 30 20 CKED C=CCC[C@H](N[C@H](C)c1cc(C)ccc1O)c1ccccc1 756763027 XHWYTUGGWJPXRE-APWZRJJASA-N 295.426 5.059 30 20 CKED O=C(/C=C\c1ccc(C(F)F)cc1)c1c[nH]c2ccccc12 794937827 KNSDHEKARWECSU-YFHOEESVSA-N 297.304 5.002 30 20 CKED CCCCCCCCC(=O)N1CCC[C@@H]1c1ccccc1 887337809 WJMRBRLPCZLDMU-GOSISDBHSA-N 287.447 5.101 30 20 CKED CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccsc1 453235942 JSPGYNCIRGVFIK-ROUUACIJSA-N 298.455 5.224 30 20 CKED C(/C=C\c1ccco1)=NN(c1ccccc1)c1ccccc1 920356459 LYEWYFHDHDHEBA-SIAJXAOYSA-N 288.350 5.117 30 20 CKED Cc1ccccc1[C@@H](C)SCCCC(C)(C)C#N 480392956 ZSEZNCUSFUEACX-CQSZACIVSA-N 261.434 5.119 30 20 CKED C[C@H](Nc1ccc(CC#N)cc1)c1cccc2ccccc12 387285652 JVSKURMNYPIJNM-HNNXBMFYSA-N 286.378 5.079 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC1(C)C 476171104 ZBYWMMZANKAYHU-KRWDZBQOSA-N 299.458 5.303 30 20 CKED C=CCC[C@H](N[C@H](C)c1ccsc1)c1ccccc1 536833625 QCLLMZMZLNWGQG-PBHICJAKSA-N 271.429 5.106 30 20 CKED C[C@@H](S[C@H](C#N)C1CCCCC1)c1ccc(F)cc1 524535061 OKPLQOSCCBAHKP-MLGOLLRUSA-N 277.408 5.092 30 20 CKED CC[C@@H](SCCCCC#N)c1ccc(Cl)cc1 480411235 DYTWPHQCNKGERH-CQSZACIVSA-N 267.825 5.218 30 20 CKED C=C[C@@H](CC(=O)Nc1ccccc1C(C)C)c1ccccc1 533886512 SIOIIFPALDZDLM-INIZCTEOSA-N 293.410 5.108 30 20 CKED Cc1noc(C2CC2)c1N=C(O)C[C@@H]1CCCC(C)(C)C1 329755002 LFCBFZMORKBLJC-LBPRGKRZSA-N 290.407 5.055 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CCC(C)(C)C 476171625 ZOUGTJFXRVQBTP-UHFFFAOYSA-N 287.447 5.303 30 20 CKED C[C@H](SCC1(C#N)CC1)c1ccc(Cl)cc1Cl 540614870 HYZUCDGCFOHIIA-VIFPVBQESA-N 286.227 5.091 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1 557282731 UWCVKLQORNCKCN-QFBILLFUSA-N 265.400 5.045 30 20 CKED CSc1cccc(N=Cc2c(O)ccc3ccccc23)c1 920945873 HPGFSPAIDYDEFG-UHFFFAOYSA-N 293.391 5.018 30 20 CKED C=CCCc1ccccc1NC(=O)Nc1cc(C)ccc1C 505059766 BQBWJNCMMXAPHK-UHFFFAOYSA-N 294.398 5.066 30 20 CKED CC(C)(C)Sc1ccc(N[C@@H]2CCC[C@H](C#N)C2)cc1 765921258 SDWQCRIJIVBGHF-DZGCQCFKSA-N 288.460 5.071 30 20 CKED C[C@H](Nc1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 776781918 AMFZCCWGQMLBOP-ZDUSSCGKSA-N 290.341 5.024 30 20 CKED C[C@H](SCCCCC(C)(C)C#N)c1cccs1 767062206 RFPOLXXETZCZDV-LBPRGKRZSA-N 267.463 5.262 30 20 CKED CC(C)(C#N)CCCSCc1cc(Cl)ccc1F 468637084 GLWATKGIWAZILB-UHFFFAOYSA-N 285.815 5.042 30 20 CKED CC(C)Sc1ccc([C@H](C)Nc2ccc(C#N)cc2)cc1 505589823 HVNOWLOZAKOSDE-AWEZNQCLSA-N 296.439 5.232 30 20 CKED C=CCC[C@@H](NCc1cccc2ccccc12)c1ccco1 556873542 WOYFYYRUQMAQDR-LJQANCHMSA-N 291.394 5.230 30 20 CKED CCCCCCCSc1nnc(-c2ccccc2C)o1 915790029 SENHFPNQAODJPX-UHFFFAOYSA-N 290.432 5.108 30 20 CKED CCCCCCCC(=O)Nc1c(C)cc(C)cc1Cl 916648726 MOKGZKDGPXWBRK-UHFFFAOYSA-N 281.827 5.256 30 20 CKED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 90665382 GMYUCKFGHZYURE-KDOFPFPSSA-N 298.817 5.036 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1cc(C)ccc1O)c1ccccc1 756763029 XHWYTUGGWJPXRE-QFBILLFUSA-N 295.426 5.059 30 20 CKED CC[C@@H](N[C@H](C)c1cc(C)sc1C)c1ccc(C#N)cc1 584093183 MEEKLIGGTIGYDN-FZKQIMNGSA-N 298.455 5.039 30 20 CKED C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 37199667 JOFRCPZXFMCMIS-SNVBAGLBSA-N 291.181 5.038 30 20 CKED CC(C)Oc1ccc(CSCCCCC#N)cc1Cl 490804652 RNQJWRHHEYOZAL-UHFFFAOYSA-N 297.851 5.054 30 20 CKED CC(C)(C#N)CCCNc1ccc(Oc2ccccc2)cc1 388211828 GJUBLJMGSZTKMY-UHFFFAOYSA-N 294.398 5.221 30 20 CKED C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cc2ccccc2o1 37393194 SIRHWQFOTWSBQH-NSHDSACASA-N 296.757 5.131 30 20 CKED C[C@H](SCCCC#N)c1cc(Cl)ccc1Cl 479530727 WQMKNOBYFYCYMA-VIFPVBQESA-N 274.216 5.091 30 20 CKED C[C@@H](SCCCC#N)c1ccc(Cl)cc1Cl 479506442 UPAQKUNNWBQYPR-SECBINFHSA-N 274.216 5.091 30 20 CKED CC(C)(C#N)CCCCSc1ccc2ccccc2n1 312697955 CYNKJDCQFOMEKK-UHFFFAOYSA-N 284.428 5.047 30 20 CKED CC[C@H](C#N)S[C@H](C)c1ccc(Cl)c(Cl)c1 436048462 VNCNEVNAMFVCMD-PSASIEDQSA-N 274.216 5.090 30 20 CKED C=CC[C@@H](C)[C@@H](C)Nc1cccc(COCc2ccco2)c1 538537271 JWJKRQHJKLAEAF-HZPDHXFCSA-N 299.414 5.009 30 20 CKED CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1 340456189 VTRITAGFFYIQBL-UXHICEINSA-N 292.426 5.162 30 20 CKED CCCCCCCCCN(C)C(=O)Nc1ccccc1C 918542426 VXNBFFBTGYNTSL-UHFFFAOYSA-N 290.451 5.209 30 20 CKED CCC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1 90664470 SUTWCUQVKIZODB-VQTJNVASSA-N 292.426 5.162 30 20 CKED CC[C@H](S[C@@H](C#N)Cc1ccccc1)c1ccccc1 610708228 SHDITPXAOWZWOA-MSOLQXFVSA-N 281.424 5.006 30 20 CKED C=CCC[C@@H](Nc1cccc([C@H](C)OC)c1)c1ccco1 552282745 MBRWSXDZEWVSSF-WMLDXEAASA-N 285.387 5.106 30 20 CKED C=CCC[C@@H](N[C@H]1CCSc2ccccc21)c1ccco1 513697629 PWVHQRRIIMINNT-JKSUJKDBSA-N 299.439 5.114 30 20 CKED O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)c1ccsc1 749105433 SWSVFYPGIFJNAB-FNORWQNLSA-N 298.338 5.043 30 20 CKED Cc1c([C@@H](C)NCCCCC(C)(C)C#N)oc2ccccc12 444689076 MCIKCBZMHSQPCG-OAHLLOKOSA-N 298.430 5.112 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C=C1CCCCC1 789718544 ICLWJGGUSIZYGH-UHFFFAOYSA-N 297.442 5.368 30 20 CKED C[C@H](SCCCCC(C)(C)C#N)c1cccc(C#N)c1 435883396 KMSMGRMCYVWDBX-AWEZNQCLSA-N 286.444 5.073 30 20 CKED C=CCCC1=CC[C@](N)(CCCCCCCCC)C1 261508089 PPCLKDLUUXAOAW-GOSISDBHSA-N 263.469 5.511 30 20 CKED O=C(/C=C/c1ccc(C(F)F)cc1)c1coc2ccccc12 794947257 UWXQJPZORJLABD-JXMROGBWSA-N 298.288 5.267 30 20 CKED C=CCC[C@H](N[C@@H](C)c1ncccc1CC)c1ccccc1 507463499 UDJZDLYPNHSYGK-LPHOPBHVSA-N 294.442 5.002 30 20 CKED CCC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccsc1 187802016 JXTPHRKMHBSTND-ROUUACIJSA-N 298.455 5.224 30 20 CKED C=CCC[C@@H](NCc1ccc(C(F)F)cc1)c1ccco1 286290568 WMKTUCUCPQAQFW-OAHLLOKOSA-N 291.341 5.014 30 20 CKED Cc1ccsc1/C=C/C(=O)c1cccc(Cl)c1Cl 734979260 ADUPLWLRJTYTTQ-AATRIKPKSA-N 297.206 5.259 30 20 CKED C[C@@H](Nc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 37188225 AUURSPGYVJZGFB-SNVBAGLBSA-N 291.181 5.038 30 20 CKED C[C@@H](SCCC(C)(C)C#N)c1ccccc1Cl 578933490 LTKATYAJSRXWBG-LLVKDONJSA-N 267.825 5.074 30 20 CKED C[C@@H](Nc1ccc(CCC#N)cc1)c1csc(Cl)c1 903294727 XGCDJCFPWUJYJQ-LLVKDONJSA-N 290.819 5.031 30 20 CKED CC(C)=CCC[C@H](C)N[C@@H](CCCC#N)c1ccccc1 559862363 BDHVNIVPWWICKB-HKUYNNGSSA-N 284.447 5.146 30 20 CKED CC(C)c1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 386028365 QWXFRUGTICRLEX-HOTGVXAUSA-N 292.426 5.093 30 20 CKED CC(C)(C#N)CCCCSc1cccc2cccnc12 436196177 GUCPFNFDTGNBFD-UHFFFAOYSA-N 284.428 5.047 30 20 CKED CC1(C)OB(C2=CCCCCCCCCCC2)OC1(C)C 253532851 CNSWZOSRAMYLNC-UHFFFAOYSA-N 292.272 5.459 30 20 CKED C[C@H](Nc1csc2ccccc12)c1ccc(C#N)c(F)c1 495410049 SEIWRIPIACLUJP-NSHDSACASA-N 296.370 5.085 30 20 CKED C=CCC[C@@H](Nc1cnn(C2CCCC2)c1C)c1ccco1 560538072 WFVSPKUHNQYPBY-MRXNPFEDSA-N 299.418 5.019 30 20 CKED C=CCCCSCc1csc(-c2ccsc2)n1 609803917 LRDRCEPTJVZDPK-UHFFFAOYSA-N 281.471 5.071 30 20 CKED CC[C@H](SCCC(C)(C)C#N)c1ccc(F)cc1F 573595642 MGGTZNYDAUDJIV-AWEZNQCLSA-N 283.387 5.089 30 20 CKED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccc(Cl)s1 794925642 BMOSGODNACPYFJ-UTCJRWHESA-N 298.741 5.235 30 20 CKED C[C@@H]1C/C(=C\c2cccc3cnccc23)C(=O)c2ccccc21 782889993 PZRTUQZRVCZNLJ-RFRKOGIWSA-N 299.373 5.008 30 20 CKED CCc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)s1 90665594 AYNZDYFNRAKMPS-YOEHRIQHSA-N 298.455 5.006 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C(\C)C(C)(C)C 789721412 RUFPEVQDIHDRAO-FYWRMAATSA-N 299.458 5.469 30 20 CKED C[C@@H](c1ccccc1Cl)N(C)CCCCC(C)(C)C#N 235467197 UHUKGZIFTUXYIC-AWEZNQCLSA-N 292.854 5.053 30 20 CKED C[C@H](Sc1cccc(Cl)c1)c1ccc(C#N)cc1 303648921 APNUIYMKEWXDDH-NSHDSACASA-N 273.788 5.065 30 20 CKED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 36921450 DSCROFJIAMDSAM-ACJLOTCBSA-N 298.817 5.014 30 20 CKED C[C@H]1C/C(=C\c2ccc3cnccc3c2)C(=O)c2ccccc21 782348873 VDLRVDJQERQRMZ-QCUKBLKESA-N 299.373 5.008 30 20 CKED CC(C)(C#N)CCCSc1cccc(C(F)(F)F)c1 747807662 RWYJZMDDTWJCFQ-UHFFFAOYSA-N 287.350 5.127 30 20 CKED CC(C)(C)Sc1ccc(NCc2ccc(C#N)cc2)cc1 770560182 YFDUHZKCGQEURR-UHFFFAOYSA-N 296.439 5.061 30 20 CKED CCCCCCCC/C=C/CCCCCC(=O)O 32787347 PJHOFUXBXJNUAC-MDZDMXLPSA-N 254.414 5.328 30 20 CKED in-vivo CC1=C[C@H](C)C[C@H](C=NOc2ccccc2C(F)(F)F)C1 789635872 DMKMMTKGIAYEMN-AAEUAGOBSA-N 297.320 5.062 30 20 CKED CCCCCCCCCC[C@@H]1O[C@H]1CCCCC(C)C 43068409 HFOFYNMWYRXIBP-OALUTQOASA-N 282.512 6.501 30 20 CKED CC(C)c1nc(CSCCCCC(C)(C)C#N)cs1 435887524 IFSFCSLYXSDGPD-UHFFFAOYSA-N 296.505 5.220 30 20 CKED C[C@H](Sc1ccccc1C#N)c1ccc(F)c(Cl)c1 439699467 PHHIQKQVHVECJB-JTQLQIEISA-N 291.778 5.204 30 20 CKED CC(/C=C/C(=O)c1c[nH]c2ccccc12)=C\c1ccccc1 750903705 CRJCLSZABBWQHX-NOVYJZLUSA-N 287.362 5.010 30 20 CKED C[C@H](c1ccc2ccccc2c1)N(CCCCC#N)C1CC1 110471267 PTRQFOFZUQUXGY-MRXNPFEDSA-N 292.426 5.059 30 20 CKED N#CCCCSCc1sc2ccccc2c1Cl 479506920 YMZFOKDBUFFKDF-UHFFFAOYSA-N 281.833 5.092 30 20 CKED C[C@H](S[C@H](C)c1ccccc1F)c1ccc(C#N)cc1 522839733 GEVCYVHQCAUBJE-QWHCGFSZSA-N 285.387 5.253 30 20 CKED C=C(C)CNc1ccccc1NC12CC3CC(CC(C3)C1)C2 726186362 WIAKOVBRVIRXRW-UHFFFAOYSA-N 296.458 5.055 30 20 CKED CC(C)(C)Sc1ccc(N=Cc2ccccc2O)cc1 726740150 UVAFTXMUIZNDIO-UHFFFAOYSA-N 285.412 5.033 30 20 CKED C=CCC(CC=C)C(=O)Nc1ccccc1-c1ccccc1 467730755 HCVQFUWBIPQKHG-UHFFFAOYSA-N 291.394 5.061 30 20 CKED C=CCC[C@H](N[C@H](C)c1cccs1)c1ccccc1 539054513 QIUOBMACHDFFLD-ZBFHGGJFSA-N 271.429 5.106 30 20 CKED C[C@@H](S[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 609813805 UDFJTSDDVHQMHD-CHWSQXEVSA-N 285.387 5.253 30 20 CKED C[C@@H](Nc1ccc(CC#N)cc1)c1ccc2ccccc2c1 78991387 AQSIEUKSONCGBK-OAHLLOKOSA-N 286.378 5.079 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC12CC2 529134062 BAFJKVVDXSJZBY-KRWDZBQOSA-N 297.442 5.057 30 20 CKED CC[C@H](C)c1cccc(N[C@H](C)c2cccc(C#N)c2)c1 600853109 VWZZHPAVKYJCJU-LSDHHAIUSA-N 278.399 5.245 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CCCCC 189885891 CEDXNAVDRQWUBG-UHFFFAOYSA-N 273.420 5.057 30 20 CKED CC1=CCC[C@H](C)[C@@H]1CN[C@H](CCCC#N)c1ccccc1 556907153 JOUDPXFDVRYFCO-DFQSSKMNSA-N 296.458 5.004 30 20 CKED C=CCC[C@H](Nc1cnn(C2CCCC2)c1C)c1ccco1 560538070 WFVSPKUHNQYPBY-INIZCTEOSA-N 299.418 5.019 30 20 CKED CCCCCCCCCC(=O)N1CC[C@@H]1c1ccccc1 917140747 QEXOZYXVAZIMQH-GOSISDBHSA-N 287.447 5.101 30 20 CKED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 90665381 GMYUCKFGHZYURE-KSSFIOAISA-N 298.817 5.036 30 20 CKED CC[C@@H](C)c1cccc(N[C@H](C)c2cccc(C#N)c2)c1 600853108 VWZZHPAVKYJCJU-HUUCEWRRSA-N 278.399 5.245 30 20 CKED C[C@H](Nc1cccc2ccccc12)c1ccc(C#N)c(F)c1 777602185 JJGLTQKEKNCHMR-ZDUSSCGKSA-N 290.341 5.024 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1sccc1C)c1ccccc1 540150697 KGZZSZGUFGIVAF-DOTOQJQBSA-N 285.456 5.415 30 20 CKED C=CCC[C@H](NCc1oc2ccccc2c1C)c1ccco1 563260927 AUOYXIHQCQZACI-INIZCTEOSA-N 295.382 5.131 30 20 CKED C[C@@H](SCCCC(C)(C)C#N)c1c(F)cccc1F 476473843 VKZQLYQUNSUPFE-LLVKDONJSA-N 283.387 5.089 30 20 CKED CC(C)(C#N)CCCCSCC[C@H]1CC1(Cl)Cl 818156713 KEPHRHRYFNEOCY-NSHDSACASA-N 294.291 5.024 30 20 CKED C[C@@H](Nc1ccccc1-c1ccccc1)c1cccc(C#N)c1 319631697 BWIIOUASLCMFTQ-MRXNPFEDSA-N 298.389 5.398 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1CC[C@@H](C)C1 476122472 KFIYAYBYMFVODL-CVEARBPZSA-N 299.458 5.303 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1cccs1)c1ccccc1 539054510 QIUOBMACHDFFLD-GOEBONIOSA-N 271.429 5.106 30 20 CKED C=CCC[C@@H](N[C@H](C)c1ccc(C)nc1C)c1ccccc1 678602126 AAZKEJRJKANJGG-YLJYHZDGSA-N 294.442 5.057 30 20 CKED CCCCCCCCC[C@]1(N)CC=C(c2ccccc2)C1 217670850 MESAHBXJZPBVSG-FQEVSTJZSA-N 285.475 5.702 30 20 CKED CCCCN(CCCC(C)(C)C#N)[C@H](C)c1ccc(C)o1 610447550 RKYQMKBIHXAEOF-MRXNPFEDSA-N 290.451 5.081 30 20 CKED C[C@@H](Nc1cccc(F)c1C#N)c1csc2ccccc12 729985731 AUOCLMNTGRZFPU-LLVKDONJSA-N 296.370 5.085 30 20 CKED C=CCC[C@@H](NCc1cc2ccccc2s1)c1ccco1 556218654 YCBAVNSPRYUZGG-MRXNPFEDSA-N 297.423 5.291 30 20 CKED CCSc1cccc(N[C@H](CC)c2ccc(C#N)cc2)c1 618574228 YNPMPQYOWXKYQL-GOSISDBHSA-N 296.439 5.233 30 20 CKED CC1(C)CCC[C@H](C=NOc2ccccc2C(F)(F)F)C1 754709002 HLERZRCRMBSEMG-LBPRGKRZSA-N 299.336 5.286 30 20 CKED CC1=C[C@H](C)C[C@@H](C=NOc2ccccc2C(F)(F)F)C1 789635877 DMKMMTKGIAYEMN-WCQYABFASA-N 297.320 5.062 30 20 CKED CC[C@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 36979257 VAYGWXAIIJNLOA-ACJLOTCBSA-N 298.817 5.014 30 20 CKED CC[C@@H](C#N)S[C@H](C)c1ccc(Cl)c(Cl)c1 436048463 VNCNEVNAMFVCMD-SCZZXKLOSA-N 274.216 5.090 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H]1CC 451339225 ZVUXCXHVIQRBNA-CRAIPNDOSA-N 299.458 5.303 30 20 CKED C[C@@H](SCC1(C#N)CC1)c1ccc(Cl)cc1Cl 540614869 HYZUCDGCFOHIIA-SECBINFHSA-N 286.227 5.091 30 20 CKED C=CCC[C@H](N[C@H](C)c1ccccc1OC)c1ccccc1 540151390 OSMFSNNUILAOER-APWZRJJASA-N 295.426 5.053 30 20 CKED O=C1/C(=C/c2csc3ccccc23)CCc2sccc21 726893341 PXXLLALUVZPZDV-PKNBQFBNSA-N 296.416 5.175 30 20 CKED O=C(/C=C\c1ccc(-c2ccccc2F)o1)c1ccsc1 749101741 JUXCPQRRXRMQHI-ALCCZGGFSA-N 298.338 5.043 30 20 CKED CCC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1 90664472 SUTWCUQVKIZODB-WOJBJXKFSA-N 292.426 5.162 30 20 CKED C#CCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 179803113 RPVGXGNMCUQTRC-UHFFFAOYSA-N 285.431 5.066 30 20 CKED CC1(C)CCC(C)(C)c2cc(C#C[Si](C)(C)C)ccc21 195831388 MMUWJXOGTJYIAG-UHFFFAOYSA-N 284.519 5.265 30 20 CKED CSc1ccc(C(=O)/C=C\c2cccs2)c(Cl)c1 765604808 IIDPFDKRWIEAJK-ALCCZGGFSA-N 294.828 5.020 30 20 CKED CCCCCCCC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 817564889 GAUCMXJXITYBKB-IBGZPJMESA-N 299.458 5.101 30 20 CKED C[C@@H](Nc1cccc(Cl)c1Cl)c1cccc(C#N)c1 37243780 CPROUOCIMPXYNS-SNVBAGLBSA-N 291.181 5.038 30 20 CKED CCC[C@H](NCC(C)(C)CCC#N)c1ccc(Cl)cc1 554074772 FRFYVFKVSGWYRI-INIZCTEOSA-N 292.854 5.101 30 20 CKED O=C(/C=C\c1cccs1)c1cc2cc(Cl)ccc2o1 209983352 GKGRGPQHAVAORO-PLNGDYQASA-N 288.755 5.044 30 20 CKED C[C@@H](Nc1ccc(CC#N)cc1)c1cccc2ccccc12 387285653 JVSKURMNYPIJNM-OAHLLOKOSA-N 286.378 5.079 30 20 CKED C[C@@H](SCCCCC(C)(C)C#N)c1ccc(C#N)cc1 435890570 VFAMCFFTSHBHPQ-CQSZACIVSA-N 286.444 5.073 30 20 CKED C=CC[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccncc1 766023423 UPRCYSDVYMTLHN-OXJNMPFZSA-N 294.442 5.173 30 20 CKED CC(C)(C#N)CCCSCc1ccc(C(F)F)cc1 185643348 JNLYVZUERXGYCI-UHFFFAOYSA-N 283.387 5.187 30 20 CKED CC(C)(C#N)CCCOc1ccccc1-c1ccccc1 87608916 AGNUXEONRWVAAF-UHFFFAOYSA-N 279.383 5.062 30 20 CKED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1Cl 90665358 IWVQFWSYONCQEU-KDOFPFPSSA-N 298.817 5.036 30 20 CKED C[C@@H](c1ccccc1)N(CCCC(C)(C)C#N)CC1CCC1 472245892 DWPMPKWUAXVRKH-KRWDZBQOSA-N 298.474 5.180 30 20 CKED CCCCCCCC[S@@](=O)Cc1ccc(Cl)s1 790133433 AFWUPAIDQRZYSJ-QGZVFWFLSA-N 292.897 5.011 30 20 CKED CC(C)(C#N)CCCNc1ccccc1Cc1ccccc1 303892488 PRMABOJZPIZYKD-UHFFFAOYSA-N 292.426 5.019 30 20 CKED C[C@H](Nc1cccc2ccsc12)c1ccc(C#N)cc1F 512295339 LGCREDYAQCHHBT-NSHDSACASA-N 296.370 5.085 30 20 CKED C=CCC[C@@H](N[C@H](C)c1ccc(OC)cc1)c1ccccc1 536841858 XBRXTFKXLSALFE-OXQOHEQNSA-N 295.426 5.053 30 20 CKED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 90665384 GMYUCKFGHZYURE-RDTXWAMCSA-N 298.817 5.036 30 20 CKED COc1ccccc1[C@H](C)S[C@H](C)c1ccc(C#N)cc1 463205616 MVCHHFJUXLSNRC-KGLIPLIRSA-N 297.423 5.122 30 20 CKED CCCCCCCCCC[C@@H](C)NCc1ccccc1 100471960 SRZHZECYLYTSQI-GOSISDBHSA-N 275.480 5.696 30 20 CKED in-vitro C=CCC1(C(=O)Nc2ccccc2C(F)F)CCCCC1 425645346 LSUGZWDNQTVWOO-UHFFFAOYSA-N 293.357 5.089 30 20 CKED C[C@H](Sc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 524025482 MIUOOAODVSNHKT-JTQLQIEISA-N 291.778 5.204 30 20 CKED Cc1cc(Cl)c(N[C@H](C)c2cccc(C#N)c2)cc1C 600850777 HPVQXXFJXBGUAH-CYBMUJFWSA-N 284.790 5.002 30 20 CKED CC(/C=C\C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1 750903687 CRJCLSZABBWQHX-CWENXQOLSA-N 287.362 5.010 30 20 CKED C=CCC[C@H](N[C@@H](C)c1ccsc1)c1ccccc1 536833639 QCLLMZMZLNWGQG-YOEHRIQHSA-N 271.429 5.106 30 20 CKED C[C@H](Nc1ccc2ccccc2c1)c1ccc(C#N)cc1F 781421403 JJMSTDQSRLQUPF-ZDUSSCGKSA-N 290.341 5.024 30 20 CKED C=CCC[C@H](N[C@H]1CCCc2sccc21)c1ccco1 353674287 UJIDXFPPNQOANS-GJZGRUSLSA-N 287.428 5.016 30 20 CKED C[C@@H](SCCC(C)(C)C#N)c1cccc(Cl)c1 573009617 MSSRWKYGVWWAJE-LLVKDONJSA-N 267.825 5.074 30 20 CKED C[C@@H](c1cc2ccccc2o1)N(C)CCCCC(C)(C)C#N 444597991 NWGGGUPDESBNCW-HNNXBMFYSA-N 298.430 5.146 30 20 CKED C=CCC[C@@H](N[C@H](C)c1ccccc1OC)c1ccccc1 540151393 OSMFSNNUILAOER-VQIMIIECSA-N 295.426 5.053 30 20 CKED CC(C)(C#N)CCCCSCc1ccc(Cl)s1 766823389 SGNJFVAHYHJSMZ-UHFFFAOYSA-N 287.881 5.355 30 20 CKED C[C@H](S[C@@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 609825585 GTMVGZAVGRTCGD-STQMWFEESA-N 285.387 5.253 30 20 CKED N#Cc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 21474150 VGJFYMQNQCEAEZ-UHFFFAOYSA-N 296.782 5.002 30 20 CKED CC[C@H]1CCC[C@H](C=NOc2ccccc2C(F)(F)F)C1 783862878 NGOWGPRBEILOQC-STQMWFEESA-N 299.336 5.286 30 20 CKED C=CCCc1ccccc1NC(=O)c1cc(C(C)C)oc1C 568781221 QHVMOSVMZVDBEX-UHFFFAOYSA-N 297.398 5.082 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)C1CCCC1 682803708 NJJALICREWLZRZ-OAHLLOKOSA-N 299.458 5.303 30 20 CKED Cc1cc(CS[C@@H](C)c2ccc(C#N)cc2)c(C)s1 522841812 OSUJLOBUDQSEQX-LBPRGKRZSA-N 287.453 5.231 30 20 CKED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 36979254 VAYGWXAIIJNLOA-UGSOOPFHSA-N 298.817 5.014 30 20 CKED Cc1ccccc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 340449751 WQRHNILMLCLOGK-XLIONFOSSA-N 292.426 5.081 30 20 CKED O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1ccsc1 749105429 SWSVFYPGIFJNAB-ALCCZGGFSA-N 298.338 5.043 30 20 CKED CC1=CCC[C@@H](C)[C@@H]1C=NOc1ccccc1C(F)(F)F 773207780 KJRIXRNCCVHQIE-CHWSQXEVSA-N 297.320 5.062 30 20 CKED Cc1ccc(/C=C/C(=O)c2cccc3ccccc23)s1 916134944 ZGBZQVONVNCBEQ-VAWYXSNFSA-N 278.376 5.106 30 20 CKED C[C@@H](Nc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 37196913 APJRYCKEYCAPIK-SNVBAGLBSA-N 291.181 5.038 30 20 CKED Cc1ccc(/C=C\C(=O)c2ccc3ccccc3c2)s1 210446215 OITHKKXSLPMQLP-KHPPLWFESA-N 278.376 5.106 30 20 CKED Cc1ccc(Cl)c(N[C@@H](C)c2cccc(C#N)c2)c1C 600853843 GZPPXJFEIHJESM-ZDUSSCGKSA-N 284.790 5.002 30 20 CKED CCCCCCCCCCCN(C)[C@H](CCCC)C(=O)O 1776784566 HMFMFJCCXHAEQT-QGZVFWFLSA-N 299.499 5.092 30 20 CKED CCCCCCCCCC(=O)CCCCCCC(=O)O 196749838 DKAJEZXUJVXAQN-UHFFFAOYSA-N 284.440 5.121 30 20 CKED C[C@@H](Nc1c(Cl)cccc1C#N)c1cc2ccccc2o1 609494880 UUWAGKYUTCRUJF-LLVKDONJSA-N 296.757 5.131 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC(CC)CC 189872605 WOIVZBXIPMNCSH-UHFFFAOYSA-N 287.447 5.303 30 20 CKED Cc1ccccc1[C@@H](NCCCCC(C)(C)C#N)C(C)C 444673076 MIMIHCHKKAUDLF-SFHVURJKSA-N 286.463 5.002 30 20 CKED O=C(/C=C\c1nccs1)c1ccc(C2CCCCC2)cc1 730085059 MEJYKZKRTBGIOL-KHPPLWFESA-N 297.423 5.087 30 20 CKED C[C@H](SCCCCC(C)(C)C#N)c1ccc(C#N)cc1 435890569 VFAMCFFTSHBHPQ-AWEZNQCLSA-N 286.444 5.073 30 20 CKED Cc1ccc(C(=O)/C=C\c2cc(-c3ccccc3)cs2)o1 917519197 NLUKXDQYGWZNHU-HJWRWDBZSA-N 294.375 5.213 30 20 CKED C[C@@H]1C/C(=C/c2cncc3ccccc23)C(=O)c2ccccc21 751535353 JOAAHJWIQMMDGF-VQCBNXJZSA-N 299.373 5.008 30 20 CKED C[C@H](Nc1ccccc1SC[C@H](C)C#N)c1ccccc1 108408437 SRJVKTDOCBAXQT-CABCVRRESA-N 296.439 5.111 30 20 CKED C=CC[C@@H](N[C@H](CC)c1cc(C)ccc1C)c1ccncc1 858365681 QHWCJXSKKZYNAU-WOJBJXKFSA-N 294.442 5.057 30 20 CKED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 37272158 SFUWVEREPLNXFH-ACJLOTCBSA-N 298.817 5.014 30 20 CKED C=CC[C@H](C)NC(=O)Nc1ccc(C(C)C)cc1C(C)C 522659832 OMPRBYMQLZRXIM-AWEZNQCLSA-N 288.435 5.020 30 20 CKED CCC[C@@H](NCC(C)(C)CCC#N)c1ccc(Cl)cc1 554074773 FRFYVFKVSGWYRI-MRXNPFEDSA-N 292.854 5.101 30 20 CKED CCCCCCCC(=O)N1CC(C)(C)[C@@H]1c1cccs1 807727899 YJVSWYPBGMARBE-INIZCTEOSA-N 293.476 5.018 30 20 CKED Cc1cccc([C@H](C)SCCCC(C)(C)C#N)c1 480394727 JVIOJQKMTCHOJE-AWEZNQCLSA-N 261.434 5.119 30 20 CKED C[C@@H](CCC#N)S[C@@H](c1ccccc1)c1ccc(F)cc1 549199188 GDSCTHUEYYXVPV-KSSFIOAISA-N 299.414 5.341 30 20 CKED CC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccc(C)cc1 447511589 UQFYIQLZJBJPJZ-WOJBJXKFSA-N 292.426 5.059 30 20 CKED C=CCC[C@@H](NCCCCC(C)(C)C#N)c1ccccc1 444673723 IPNLGHKSQNPEGX-GOSISDBHSA-N 284.447 5.004 30 20 CKED CC[C@@H](S[C@@H](C#N)Cc1ccccc1)c1ccccc1 610708229 SHDITPXAOWZWOA-QZTJIDSGSA-N 281.424 5.006 30 20 CKED N#Cc1ccc(NCc2csc3ccccc23)cc1Cl 54462855 SGNDVUDXGNKRIN-UHFFFAOYSA-N 298.798 5.038 30 20 CKED Cc1cc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cs1 453232195 HIUJOKRPTLYJQB-QAPCUYQASA-N 298.455 5.142 30 20 CKED CCCCCCCCC(=O)Nc1cc(OC)ccc1Cl 920817912 RIPANQSEKBCDHY-UHFFFAOYSA-N 297.826 5.038 30 20 CKED CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1 340456191 VTRITAGFFYIQBL-WOJBJXKFSA-N 292.426 5.162 30 20 CKED O=CCCCCCCCCCCCCCCCCC(=O)O 113253952 KNFZISOSQCZZJK-UHFFFAOYSA-N 298.467 5.512 30 20 CKED C[C@@H](c1cccc(Cl)c1)N(C)CCCCC(C)(C)C#N 235467168 URAHTORFDSSLBU-AWEZNQCLSA-N 292.854 5.053 30 20 CKED CC(C)N(CCCCC(C)(C)C#N)[C@H](C)c1ccsc1 421008961 MPHRSUXMSFGVCQ-OAHLLOKOSA-N 292.492 5.240 30 20 CKED C=CCCCC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 479528995 RLMQOOJUDTWSLR-SFHVURJKSA-N 299.458 5.004 30 20 CKED CCC[C@@H](NCCCCC#N)c1ccc(Cl)c(Cl)c1 531704749 JKLHWIITIDUKQL-OAHLLOKOSA-N 299.245 5.118 30 20 CKED CC[C@H](C)c1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 600853107 VWZZHPAVKYJCJU-GJZGRUSLSA-N 278.399 5.245 30 20 CKED CCCCCCNc1ccccc1S[C@@H](C)CC#N 749271427 DYFBIRYUZATEOV-AWEZNQCLSA-N 276.449 5.073 30 20 CKED C=CC[C@@H](N[C@H](CC)c1ccc(CC)cc1)c1ccncc1 766018083 FVMNTLONEMJHCK-WOJBJXKFSA-N 294.442 5.002 30 20 CKED CC(C)(C#N)CCSc1c(Cl)cccc1Cl 525504051 YYPYZMLWUCJUFN-UHFFFAOYSA-N 274.216 5.025 30 20 CKED Cc1cc(C)cc(NN=CC2CCC(C(F)(F)F)CC2)c1 767366688 GEAJXRFMRQKSEF-UHFFFAOYSA-N 298.352 5.070 30 20 CKED Cc1ccc(NCc2ccc(C(C)(C)C#N)cc2)cc1Cl 863996701 WPLSXLHXYPCWPM-UHFFFAOYSA-N 298.817 5.062 30 20 CKED N#CCCCCSCCCOc1ccc2ccccc2c1 480405201 ABZQFAVCZMWWLK-UHFFFAOYSA-N 299.439 5.036 30 20 CKED C[C@@H](Sc1ccccc1C#N)c1ccc(Cl)cc1 557884621 WJVYRTBLPNMPIG-LLVKDONJSA-N 273.788 5.065 30 20 CKED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)cc(C)c1Cl 600846481 GPQVDLQNWIQHKZ-ZDUSSCGKSA-N 284.790 5.002 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CCCC1CC1 643779769 PVVQZROTEKNVQY-UHFFFAOYSA-N 285.431 5.057 30 20 CKED C[C@H](S[C@H](C)c1cccc(C#N)c1)c1cccs1 785448569 LQAYLJAOSCXXBJ-NEPJUHHUSA-N 273.426 5.175 30 20 CKED CC(C)(C#N)CCCNc1cccc(Oc2ccccc2)c1 387958651 FVNKESWVIIWPCO-UHFFFAOYSA-N 294.398 5.221 30 20 CKED C[C@@H](NCCCCC#N)c1ccc(C2CCCCC2)cc1 482462188 VIGGHRUWSUSKRP-MRXNPFEDSA-N 284.447 5.079 30 20 CKED CC(C)C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccs1 538392914 CLEPCLZPJVUVSK-RHSMWYFYSA-N 298.455 5.058 30 20 CKED C=CCCCCCN(C)C(=O)Nc1cccc2ccccc12 606916279 IYAIXPMZEGYPPW-UHFFFAOYSA-N 296.414 5.050 30 20 CKED C=CCCc1ccccc1NC(=O)c1ccc(C)cc1Cl 410345405 QUMPFGMCPPYBPR-UHFFFAOYSA-N 299.801 5.019 30 20 CKED C=CCC[C@@H](N[C@H](C)c1ccccc1)c1ccccc1 557282733 UWCVKLQORNCKCN-VQIMIIECSA-N 265.400 5.045 30 20 CKED C=CCC[C@@H](NCc1csc2ccccc12)c1ccco1 513665170 CBKCHDUNZFDEEX-MRXNPFEDSA-N 297.423 5.291 30 20 CKED C[C@H](Nc1cccc(-c2ccccc2)c1)c1cccc(C#N)c1 600852953 BCVQWNBNRANIQK-INIZCTEOSA-N 298.389 5.398 30 20 CKED CCCCc1nc(CSCCCC(C)(C)C#N)cs1 161613799 CEXMICYHFANLPX-UHFFFAOYSA-N 296.505 5.049 30 20 CKED N#CCc1ccc(CNc2cccc(-c3ccccc3)c2)cc1 431113740 VINDYHXJRFNJCS-UHFFFAOYSA-N 298.389 5.032 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)CCC 189900584 CMAKDCDPBHHXQB-HNNXBMFYSA-N 287.447 5.303 30 20 CKED Cc1ccc([C@H](C)N(C)CCCCC(C)(C)C#N)c(C)c1 444596285 XXXNSAODCLGZDK-KRWDZBQOSA-N 286.463 5.016 30 20 CKED C[C@H](Nc1cccc(C2CCC2)c1)c1ccc(C#N)c(F)c1 462946578 RRGQZZLFUDHVSK-ZDUSSCGKSA-N 294.373 5.138 30 20 CKED CSc1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1 211743081 FYVUXJVLHKBKSI-DAXSKMNVSA-N 294.828 5.020 30 20 CKED C=CCC[C@H](NCc1cccc2ccccc12)c1ccco1 556873537 WOYFYYRUQMAQDR-IBGZPJMESA-N 291.394 5.230 30 20 CKED C[C@@H](S[C@H](C)c1ccc(C#N)cc1)c1ccccc1 609825269 NYRZSUGRXQSNKN-ZIAGYGMSSA-N 267.397 5.114 30 20 CKED C[C@H](SCCC(C)(C)C#N)c1ccc(Cl)cc1 610286103 LQWMXRVWKLEWSL-NSHDSACASA-N 267.825 5.074 30 20 CKED C[C@@H](C#N)CSc1ccccc1N[C@H](C)c1ccccc1 108408443 SRJVKTDOCBAXQT-LSDHHAIUSA-N 296.439 5.111 30 20 CKED C=CCC[C@@H](Nc1ccc(-c2nc(C)c(C)o2)cc1)C1CC1 679142243 CKAREXDLUCTLQF-GOSISDBHSA-N 296.414 5.115 30 20 CKED C=CC[C@@H](C)[C@H](C)Nc1cccc(COCc2ccco2)c1 538537269 JWJKRQHJKLAEAF-CVEARBPZSA-N 299.414 5.009 30 20 CKED N#CCC[C@@H](C#N)CSc1ccc(C2CCCCC2)cc1 603841147 KPMMRAKKIWFQDG-HNNXBMFYSA-N 298.455 5.270 30 20 CKED C#CCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 779708202 XGXFPRAQYIQRNC-UHFFFAOYSA-N 299.458 5.456 30 20 CKED N#Cc1cccc(CNc2ccc3oc4ccccc4c3c2)c1 390303250 LOEGCBNSKRSFHI-UHFFFAOYSA-N 298.345 5.070 30 20 CKED C=CCC[C@@H](Nc1ccc(COC(C)C)cc1)c1ccco1 516986760 VMXYKKXIPZVYOJ-GOSISDBHSA-N 299.414 5.324 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C1CC2(CCC2)C1 582004936 IYCGRDUZJRWKDL-UHFFFAOYSA-N 297.442 5.057 30 20 CKED Cc1noc(C2CC2)c1N=C(O)C[C@H]1CCCC(C)(C)C1 329755001 LFCBFZMORKBLJC-GFCCVEGCSA-N 290.407 5.055 30 20 CKED CC(C)(C#N)CCCCSc1ccc(C#N)cc1Cl 436203351 NZLUKQDUZYRKCS-UHFFFAOYSA-N 292.835 5.024 30 20 CKED CC(C)CC[C@@H](NCCCCC#N)c1ccc(Cl)cc1 531705146 YOEHUAZCVQLXIL-QGZVFWFLSA-N 292.854 5.101 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC12CC2 529134063 BAFJKVVDXSJZBY-QGZVFWFLSA-N 297.442 5.057 30 20 CKED O=Cc1ccccc1-c1ccccc1C#CC1CCCCC1 98178263 IVJGUIQPQUYVLB-UHFFFAOYSA-N 288.390 5.098 30 20 CKED C=CCC[C@H](Nc1ccc(SC)cc1)c1ccco1 556887564 YTYQYAZRKBXYKQ-HNNXBMFYSA-N 273.401 5.121 30 20 CKED C[C@@H]1C/C(=C\c2ccc3cnccc3c2)C(=O)c2ccccc21 782348867 VDLRVDJQERQRMZ-CRRKTRLDSA-N 299.373 5.008 30 20 CKED C=CCC[C@@H](Nc1cccc([C@@H](C)OC)c1)c1ccco1 552282744 MBRWSXDZEWVSSF-RHSMWYFYSA-N 285.387 5.106 30 20 CKED CCCCCCCCCC(=O)Nc1c(F)cccc1F 916646786 NWPWICCPBJHPSR-UHFFFAOYSA-N 283.362 5.044 30 20 CKED CC(C)(CCC#N)CN[C@H]1CCCC[C@H](c2ccccc2)C1 588232170 LQEYQAHPUVLZPB-OALUTQOASA-N 298.474 5.022 30 20 CKED C[C@@H](C#N)CSc1ccccc1N[C@@H](C)c1ccccc1 108408439 SRJVKTDOCBAXQT-GJZGRUSLSA-N 296.439 5.111 30 20 CKED CCCc1nc(CSCCCCC(C)(C)C#N)cs1 435885798 OFLKGDHUUBXZDG-UHFFFAOYSA-N 296.505 5.049 30 20 CKED C[C@H]1C/C(=C\c2cccc3cnccc23)C(=O)c2ccccc21 782889991 PZRTUQZRVCZNLJ-IQGJIOQQSA-N 299.373 5.008 30 20 CKED C[C@@H](CC#N)Sc1ccccc1NCC1CCCCC1 487358520 BWKZQDJQOUDGBT-AWEZNQCLSA-N 288.460 5.073 30 20 CKED C[C@H](c1cccs1)N(CCCCC#N)Cc1ccccc1 608832671 HHCGEPAHYBLIPI-MRXNPFEDSA-N 298.455 5.005 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@@H](C)C1 189906837 FRKBRQIHIOSGDQ-NVXWUHKLSA-N 299.458 5.303 30 20 CKED CC(C)(C#N)CCCSCc1ccc(F)c(Cl)c1 468628128 DHMFGEVAFHEQQE-UHFFFAOYSA-N 285.815 5.042 30 20 CKED CC(C)(C#N)CCSCC1CCC(C(F)(F)F)CC1 569763316 XTYFMTZDIGTONE-UHFFFAOYSA-N 293.398 5.028 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C1/CC[C@@H](C)C1 789720658 WQBDGRLKGROHTC-NWCRWOLESA-N 297.442 5.223 30 20 CKED C[C@@H](SCC1(C#N)CC1)c1cc(Cl)ccc1Cl 540618059 JMUHRVRBKFRTLF-SECBINFHSA-N 286.227 5.091 30 20 CKED CCCCCCCC[C@H](C)CC(=O)Nc1c(C)noc1C 775154485 FLDDHKHTHVWWGA-ZDUSSCGKSA-N 294.439 5.007 30 20 CKED CC(C)C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccs1 538392915 CLEPCLZPJVUVSK-WMLDXEAASA-N 298.455 5.058 30 20 CKED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 37283071 RCKYYNRTBVLQLW-UGSOOPFHSA-N 298.817 5.014 30 20 CKED C=CC[C@@H](N[C@H](C)c1ccc(CCC)cc1)c1ccncc1 766017412 BQOOEKACFOTQIU-OXQOHEQNSA-N 294.442 5.002 30 20 CKED C[C@@H](Nc1ccc(CCC#N)cc1)c1ccc(Cl)s1 903297133 BOCRTAHWUXTDQO-LLVKDONJSA-N 290.819 5.031 30 20 CKED C[C@H](Nc1ccc(CC#N)cc1)c1ccc2ccccc2c1 78991383 AQSIEUKSONCGBK-HNNXBMFYSA-N 286.378 5.079 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C(CC=C)CC=C 189884027 IFBIYCROAQHMOP-UHFFFAOYSA-N 297.442 5.245 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)C(C)C 189911335 ALSFGAHFSDYKBS-OAHLLOKOSA-N 287.447 5.159 30 20 CKED Cc1ccccc1[C@H](NCCCC(C)(C)C#N)C(C)(C)C 539293664 DFCDGPNIMYYNKI-KRWDZBQOSA-N 286.463 5.002 30 20 CKED C=CCC[C@H](N[C@H](C)c1ccc(C)nc1C)c1ccccc1 678602125 AAZKEJRJKANJGG-XLIONFOSSA-N 294.442 5.057 30 20 CKED CCCCCCCCC[C@@]1(N)CC=C(c2ccccc2)C1 217670937 MESAHBXJZPBVSG-HXUWFJFHSA-N 285.475 5.702 30 20 CKED N#CCCCCSCc1nc(C2CCCCC2)cs1 435904142 XZNKVCOLFAYFEP-UHFFFAOYSA-N 294.489 5.118 30 20 CKED C(=NOCc1ccc(-c2ccsc2)cc1)c1cccs1 766684168 KKIFWJLAOFORTB-UHFFFAOYSA-N 299.420 5.027 30 20 CKED C=CCCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 523227184 BXPONMRGGGWNIQ-UHFFFAOYSA-N 291.350 5.005 30 20 CKED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccc(Cl)s1 794925643 BMOSGODNACPYFJ-ZZXKWVIFSA-N 298.741 5.235 30 20 CKED CC(C)(CCC#N)CN[C@H]1CCCC[C@@H](c2ccccc2)C1 588232169 LQEYQAHPUVLZPB-MOPGFXCFSA-N 298.474 5.022 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C1/CC[C@H](C)C1 789720659 WQBDGRLKGROHTC-WSTOHFRZSA-N 297.442 5.223 30 20 CKED CC[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(C#N)cc1 447519617 YYKYEGKMDCWWMF-SCLBCKFNSA-N 298.817 5.014 30 20 CKED CSc1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1 107927500 GZUHZXGASQVUEK-FLIBITNWSA-N 294.375 5.051 30 20 CKED C[C@H](C1CC1)N(CCCCC(C)(C)C#N)Cc1ccccc1 385768503 BHCIIQBMTKXFDC-QGZVFWFLSA-N 298.474 5.007 30 20 CKED CCCCCCCCCCCC[C@@H](CC)C(=O)O 100118345 STZGBQSXOHEXRA-OAHLLOKOSA-N 256.430 5.408 30 20 CKED Clc1cscc1C=NNc1cccc2ccccc12 771885277 VOCHVXDZVDFKKT-UHFFFAOYSA-N 286.787 5.001 30 20 CKED CC[C@@H](C)c1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 600853106 VWZZHPAVKYJCJU-CABCVRRESA-N 278.399 5.245 30 20 CKED C[C@H](C#N)S[C@H](c1ccccc1)c1ccc(Cl)cc1 261369945 CNYSNPQNKOOGMH-MLGOLLRUSA-N 287.815 5.075 30 20 CKED C[C@H](CCSc1ccccc1)SCCC(C)(C)C#N 515248031 LCBOUTYJMGADFF-CQSZACIVSA-N 293.501 5.230 30 20 CKED C[C@H](SCCCCC#N)c1ccc(C(F)(F)F)cc1 480379502 AMPYSOUPNMHQJQ-NSHDSACASA-N 287.350 5.193 30 20 CKED C=CC[C@@H](C)NC(=O)Nc1c(C(C)C)cccc1C(C)C 116996324 NFICDTKXPMYSSI-CQSZACIVSA-N 288.435 5.020 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCCCC1 189880707 BSIBSMZEWHUTFV-UHFFFAOYSA-N 285.431 5.057 30 20 CKED CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccccc1 340456190 VTRITAGFFYIQBL-VQTJNVASSA-N 292.426 5.162 30 20 CKED CC(C)(C)C[C@@H](NCC(C)(C)CCC#N)c1ccccc1 229687699 VYQSZCHICOFOTM-QGZVFWFLSA-N 286.463 5.083 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C(C)=C/C(C)(C)C 189891191 BUBLZFZFCQXAAH-FYWRMAATSA-N 299.458 5.469 30 20 CKED O=C(/C=C\c1cccc2ccccc12)c1ccc(F)cc1F 212509820 FQRYQBHVUNPXIA-FLIBITNWSA-N 294.300 5.014 30 20 CKED O=C(/C=C\c1ccsc1)c1cc(Cl)sc1Cl 744869236 ROFTZPBCCRPCRQ-UPHRSURJSA-N 289.208 5.013 30 20 CKED CC[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 37272153 SFUWVEREPLNXFH-UGSOOPFHSA-N 298.817 5.014 30 20 CKED CC(C)(C#N)CCCCSC[C@@H]1C[C@H]1c1ccccc1 461252066 VMTIMLYMBIBORB-IRXDYDNUSA-N 287.472 5.243 30 20 CKED C[C@H](Sc1ccc(C#N)cc1)c1cccc(Cl)c1 497685029 ASXNYISELKWTGH-NSHDSACASA-N 273.788 5.065 30 20 CKED C[C@@H](Nc1cccc2ccsc12)c1ccc(C#N)cc1F 512295338 LGCREDYAQCHHBT-LLVKDONJSA-N 296.370 5.085 30 20 CKED CC[C@@H](Nc1cc(SC)ccc1C)c1ccc(C#N)cc1 447596262 CCHVWAYMRYFEJT-QGZVFWFLSA-N 296.439 5.152 30 20 CKED CC[C@H]1CCC[C@@H](C=NOc2ccccc2C(F)(F)F)C1 783862877 NGOWGPRBEILOQC-QWHCGFSZSA-N 299.336 5.286 30 20 CKED C[C@@H](Nc1cccc(C2CCC2)c1)c1ccc(C#N)c(F)c1 462946577 RRGQZZLFUDHVSK-CYBMUJFWSA-N 294.373 5.138 30 20 CKED CC(C)(C)Sc1ccc(N[C@H]2CCC[C@H](C#N)C2)cc1 765921261 SDWQCRIJIVBGHF-ZFWWWQNUSA-N 288.460 5.071 30 20 CKED COc1ccccc1[C@@H](C)S[C@@H](C)c1ccc(C#N)cc1 463205617 MVCHHFJUXLSNRC-UONOGXRCSA-N 297.423 5.122 30 20 CKED CC1=CCC[C@H](C)[C@H]1CN[C@H](CCCC#N)c1ccccc1 556907156 JOUDPXFDVRYFCO-YSIASYRMSA-N 296.458 5.004 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC1(C)CCCC1 676789745 OXZTYUCNYQSXNZ-UHFFFAOYSA-N 299.458 5.447 30 20 CKED O=C(/C=C/c1ccc(C(F)F)cc1)c1ccccc1Cl 794927537 SRUFMXXMUUDYAB-JXMROGBWSA-N 292.712 5.174 30 20 CKED C[C@@H](Nc1ccc(Cl)cc1C#N)c1cc2ccccc2o1 511871629 DYIVWCYGGSBHDF-LLVKDONJSA-N 296.757 5.131 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1ncccc1CC)c1ccccc1 507463500 UDJZDLYPNHSYGK-QFBILLFUSA-N 294.442 5.002 30 20 CKED C=CCC[C@H](N[C@@H](C)c1cccc(OC)c1)c1ccccc1 540147730 WDDWIBYJGKGVGO-JXFKEZNVSA-N 295.426 5.053 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C(C)=C(\C)CC 789719439 PYVWDCJOUREPFT-CCEZHUSRSA-N 285.431 5.223 30 20 CKED C[C@H]1/C(=C\c2ccc(C(F)F)cc2)C(=O)c2ccccc21 809155862 HBNIYDKWPCUILI-HPUUJOOBSA-N 284.305 5.008 30 20 CKED C[C@@H](SCCCCC(F)(F)F)c1ccc(C#N)cc1 507604331 XRIFQZURZSYUES-LLVKDONJSA-N 287.350 5.085 30 20 CKED C=CCC[C@H](Nc1cccc(CSC)c1)c1ccco1 560548323 NHKBQRUDNKBCTB-INIZCTEOSA-N 287.428 5.262 30 20 CKED CCCCCCC/C=C/c1c(C)[nH]c2ccccc2c1=O 1872974 HMAXBOCOEKTILK-FMIVXFBMSA-N 283.415 5.210 30 20 CKED C[C@@H](Nc1cccc(Cl)c1C#N)c1cc2ccccc2o1 610335721 HXJQAOAZLUXNSE-LLVKDONJSA-N 296.757 5.131 30 20 CKED C=CC[C@H](N[C@@H](CC)c1cc(C)ccc1C)c1ccncc1 858365673 QHWCJXSKKZYNAU-PMACEKPBSA-N 294.442 5.057 30 20 CKED CSc1ccc(CS[C@H](C)c2ccc(C#N)cc2)cc1 609825137 IDZJRRDFDPZPMR-CYBMUJFWSA-N 299.464 5.275 30 20 CKED CCC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1 90664469 SUTWCUQVKIZODB-UXHICEINSA-N 292.426 5.162 30 20 CKED C[C@@H](SCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 573639502 CMPNVEIYRBOUEP-LLVKDONJSA-N 299.386 5.022 30 20 CKED Cc1cc(N[C@H](C)c2cccc(C#N)c2)c2ccccc2c1 600850588 DJNWDBWDAWCNTN-OAHLLOKOSA-N 286.378 5.193 30 20 CKED C[C@@H](C#N)S[C@@H](c1ccccc1)c1ccc(Cl)cc1 261369943 CNYSNPQNKOOGMH-LRDDRELGSA-N 287.815 5.075 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCC(=C)CC1 890165261 BESIVMUDSGIUCJ-UHFFFAOYSA-N 297.442 5.223 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1sccc1C 189874179 GPEJOXUNBZLLKO-UHFFFAOYSA-N 299.439 5.161 30 20 CKED N#CCc1ccc(CNc2ccccc2-c2ccccc2)cc1 398968733 UFAXADPYBLKEFJ-UHFFFAOYSA-N 298.389 5.032 30 20 CKED C[C@H](Nc1ccc(C2CCC2)cc1)c1ccc(C#N)cc1F 494492380 LIXAWKYHZPTHBT-ZDUSSCGKSA-N 294.373 5.138 30 20 CKED C[C@@H](Nc1csc2ccccc12)c1ccc(C#N)cc1F 512290195 XRMCLETWDLGJRV-LLVKDONJSA-N 296.370 5.085 30 20 CKED O=C(/C=C\c1cc2ccccc2o1)c1ccc(Cl)s1 750895801 JJIPCGONDQBDHW-WAYWQWQTSA-N 288.755 5.044 30 20 CKED C=CCC[C@@H](N[C@@H](CC)c1ccccc1O)c1ccccc1 775522520 SFCHIVTWBHFNGX-RBUKOAKNSA-N 295.426 5.140 30 20 CKED C=CCC[C@@H](N[C@@H]1CCSc2ccccc21)c1ccco1 513697628 PWVHQRRIIMINNT-HZPDHXFCSA-N 299.439 5.114 30 20 CKED CC(C)(C#N)CCCCSCCCCC1CCOCC1 512382545 JCMWIYFOIOIOGK-UHFFFAOYSA-N 297.508 5.037 30 20 CKED C=CCC[C@H](Nc1ccc(COC(C)C)cc1)c1ccco1 516986763 VMXYKKXIPZVYOJ-SFHVURJKSA-N 299.414 5.324 30 20 CKED O=C(/C=C/c1ccc(C(F)F)cc1)c1cc2ccccc2o1 794931487 MOMBGGWVPBAVAH-JXMROGBWSA-N 298.288 5.267 30 20 CKED CC1(C#N)CCC(Nc2cccc(C(F)F)c2Cl)CC1 449240393 YSVDNGYLLLXEJC-UHFFFAOYSA-N 298.764 5.162 30 20 CKED C[C@@H](CCC(C)(C)C)N[C@H](CCCC#N)c1ccccc1 556205134 LOGSZWBGMDZUJA-FUHWJXTLSA-N 286.463 5.226 30 20 CKED N#CCCC[C@H](NC1CCCCCCC1)c1ccccc1 814303940 DHVRJWNNAPIFGV-IBGZPJMESA-N 284.447 5.124 30 20 CKED C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 466641696 UWLYXYSIPBCSHJ-VQIMIIECSA-N 299.458 5.076 30 20 CKED CC(C)(C)C[C@@H](NCCCC(C)(C)C#N)c1ccccc1 539256601 FBYNFJCFTPOVDX-QGZVFWFLSA-N 286.463 5.083 30 20 CKED CSc1ccc(CS[C@@H](C)c2ccc(C#N)cc2)cc1 609825138 IDZJRRDFDPZPMR-ZDUSSCGKSA-N 299.464 5.275 30 20 CKED Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(Cl)c1C 600851962 VOCCVKXKCPWSOR-ZDUSSCGKSA-N 284.790 5.002 30 20 CKED C[C@H](S[C@@H](C#N)C1CCCCC1)c1cccs1 737405467 BUEYOOYIEVCVRT-FZMZJTMJSA-N 265.447 5.015 30 20 CKED C=CCCCC(=O)Nc1c(CCC)cccc1C(C)C 191563279 OEGVWDIIICQKIA-UHFFFAOYSA-N 273.420 5.057 30 20 CKED CC(C)(C#N)CCCSCCc1c(F)cccc1Cl 480413469 PPGCPKPVGFHRBP-UHFFFAOYSA-N 299.842 5.085 30 20 CKED C=CCC[C@H](N[C@H](CC)c1ccccc1O)c1ccccc1 775522518 SFCHIVTWBHFNGX-MOPGFXCFSA-N 295.426 5.140 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccsc1C 296408969 UHFMYTOQKKIIAQ-UHFFFAOYSA-N 299.439 5.161 30 20 CKED CC(C)[C@H](NCC(C)(C)CCC#N)c1cc2ccccc2o1 554067275 JNCSJDSYGZLJMD-SFHVURJKSA-N 298.430 5.049 30 20 CKED C=CCC[C@H](NCc1c(C)oc2ccccc12)c1ccco1 575238259 ZDWXABQEFCMRPF-KRWDZBQOSA-N 295.382 5.131 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC1CC(C)(C)C1 506045721 JVXKQECRHQRGFD-UHFFFAOYSA-N 299.458 5.303 30 20 CKED O=C(/C=C\c1ccc(C(F)F)cc1)c1coc2ccccc12 794947258 UWXQJPZORJLABD-YFHOEESVSA-N 298.288 5.267 30 20 CKED CC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 36922311 NEUSEOPGNOORHE-GOSISDBHSA-N 278.399 5.051 30 20 CKED CC(C)(C)C[C@H](NCCCC(C)(C)C#N)c1ccccc1 539256600 FBYNFJCFTPOVDX-KRWDZBQOSA-N 286.463 5.083 30 20 CKED CCCCCCCCC(=O)N(C1CC1)[C@@H](C)c1ccco1 919860149 XKQGKLFCMFFUQI-HNNXBMFYSA-N 291.435 5.082 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC[C@H]1C 424787767 FVKXAXXDVUDIBI-CRAIPNDOSA-N 299.458 5.303 30 20 CKED CC(C)C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cccs1 538392916 CLEPCLZPJVUVSK-YOEHRIQHSA-N 298.455 5.058 30 20 CKED Cc1cccc([C@H](NCCCC(C)(C)C#N)C(C)(C)C)c1 538237479 ZIAMODGEJVTQSF-KRWDZBQOSA-N 286.463 5.002 30 20 CKED CC(C)C[C@H](N[C@H](C)c1cccc(C#N)c1)c1cccs1 538392910 CLEPCLZPJVUVSK-PBHICJAKSA-N 298.455 5.058 30 20 CKED CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccs1 340440420 CIDYABHDTMJAJH-IRXDYDNUSA-N 298.455 5.224 30 20 CKED CCc1ccccc1NN=Cc1c(Cl)cccc1Cl 915051230 AJCPQWVLCBLHSP-UHFFFAOYSA-N 293.197 5.002 30 20 CKED Cc1cccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 340444250 HLUDPZFTTFVXBO-PXNSSMCTSA-N 292.426 5.081 30 20 CKED CC(C)(CCC#N)CNc1cccc(C(F)F)c1Cl 541760230 COBXYBBSQOEBSZ-UHFFFAOYSA-N 286.753 5.019 30 20 CKED C=CCCCCCN(C)C(=O)Nc1ccccc1C(C)C 523558278 YYNSOBYOWPQMDK-UHFFFAOYSA-N 288.435 5.020 30 20 CKED CC[C@H](CSCCCCC(C)(C)C#N)CC(F)F 596394947 NYLJPSCOXHBZOW-LBPRGKRZSA-N 277.424 5.121 30 20 CKED C[C@H]1/C(=C/c2ccc(C(F)F)cc2)C(=O)c2ccccc21 809155861 HBNIYDKWPCUILI-FFCYNSPCSA-N 284.305 5.008 30 20 CKED CC[C@@H](NCC(C)(C)CCC#N)c1cccc2ccccc12 588231650 NIHMADHCDYRUEC-LJQANCHMSA-N 294.442 5.210 30 20 CKED C[C@@H](Sc1ccccc1Cl)c1ccc(C#N)cc1 303658353 CVXDHLMWGSXXCA-LLVKDONJSA-N 273.788 5.065 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)cc1 189880756 RNRITDUUZBCBNX-UHFFFAOYSA-N 293.410 5.099 30 20 CKED C[C@H](S[C@@H](C#N)C1CCCCC1)c1ccc(F)cc1 524535059 OKPLQOSCCBAHKP-LRDDRELGSA-N 277.408 5.092 30 20 CKED Cc1cccc([C@@H](C)SCCCC(C)(C)C#N)c1 480394728 JVIOJQKMTCHOJE-CQSZACIVSA-N 261.434 5.119 30 20 CKED CC(C)(CCC#N)CN[C@@H]1CCCC[C@@H](c2ccccc2)C1 588232172 LQEYQAHPUVLZPB-RTBURBONSA-N 298.474 5.022 30 20 CKED C=CC[C@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccncc1 766023426 UPRCYSDVYMTLHN-UZLBHIALSA-N 294.442 5.173 30 20 CKED O=C(/C=C\c1ccc(Cl)s1)c1cc2ccccc2o1 834693480 OXPCLFWEMNBBLI-ALCCZGGFSA-N 288.755 5.044 30 20 CKED CCCCCCCCC(=O)N1CCC[C@@H]1c1ccsc1 915628668 HFYWCWNQHWLVOX-MRXNPFEDSA-N 293.476 5.162 30 20 CKED Cc1cc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c(C)s1 90664611 JOISLJPQVHSGCD-KSSFIOAISA-N 298.455 5.061 30 20 CKED Cc1ccccc1[C@H](NCCCCC(C)(C)C#N)C(C)C 444673075 MIMIHCHKKAUDLF-GOSISDBHSA-N 286.463 5.002 30 20 CKED C=C[C@H](CC(=O)Nc1ccccc1C(C)C)c1ccccc1 533886514 SIOIIFPALDZDLM-MRXNPFEDSA-N 293.410 5.108 30 20 CKED O=C(/C=C\c1cccc2ccccc12)c1cc(F)ccc1F 211341257 OXKGKTOFCJTDTH-FLIBITNWSA-N 294.300 5.014 30 20 CKED Fc1cccc(Cl)c1C=NNc1cccc2ccccc12 747060525 VHNMQLFZUUPJJA-UHFFFAOYSA-N 298.748 5.078 30 20 CKED C#CCCCCCC(=O)Nc1c(CCC)cccc1C(C)C 788483240 VATSEJOOILYJPQ-UHFFFAOYSA-N 299.458 5.285 30 20 CKED C[C@@H](Nc1ccccc1C(C)(C)C)c1cccc(C#N)c1 37278657 GZUZGEMAHQRBGG-CQSZACIVSA-N 278.399 5.029 30 20 CKED C#CCCCCCC(=O)Nc1c(CC=C)cccc1C(C)C 789720478 LZNUVGUGFKEWLB-UHFFFAOYSA-N 297.442 5.061 30 20 CKED Clc1sccc1C=NNc1cccc2ccccc12 790165742 TUBVVBJFHGSSME-UHFFFAOYSA-N 286.787 5.001 30 20 CKED C[C@@H](Nc1cc(Cl)ccc1C#N)c1cc2ccccc2o1 36954370 KOFNNDQDLFIEQO-LLVKDONJSA-N 296.757 5.131 30 20 CKED C[C@H](Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 37196571 KUMIAORWQHERGI-AWEZNQCLSA-N 278.399 5.029 30 20 CKED CC(C)(C#N)CCCCSCc1ccc(CF)cc1 766822528 USMVQUPXYXOZFG-UHFFFAOYSA-N 279.424 5.109 30 20 CKED C[C@@H](Sc1ccccc1C#N)c1cccc(Cl)c1 439691719 BNEGQVRECKOGBQ-LLVKDONJSA-N 273.788 5.065 30 20 CKED C=CCC[C@H](Nc1ccc(OC)c(Cl)c1)c1ccco1 796859341 NJJHPOAHABFRMX-AWEZNQCLSA-N 291.778 5.061 30 20 CKED CC[C@H](SCCCCC#N)c1ccc(Cl)cc1 480411234 DYTWPHQCNKGERH-AWEZNQCLSA-N 267.825 5.218 30 20 CKED CCCCCCCC(=O)N1CCC[C@H]1c1ccccc1C 917787852 QOOVOVKEVUBYOR-SFHVURJKSA-N 287.447 5.019 30 20 CKED CC[C@@H](SCCC(C)(C)C#N)c1ccc(F)cc1F 573595672 MGGTZNYDAUDJIV-CQSZACIVSA-N 283.387 5.089 30 20 CKED Cc1nc(C(C)C)ccc1CSCCCC(C)(C)C#N 419498513 ZJWQMYNKLNRWPQ-UHFFFAOYSA-N 290.476 5.077 30 20 CKED C[C@H](Nc1ccc(CCC#N)cc1)c1ccc(Cl)s1 903297134 BOCRTAHWUXTDQO-NSHDSACASA-N 290.819 5.031 30 20 CKED Cc1cccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)c1 340444248 HLUDPZFTTFVXBO-FXAWDEMLSA-N 292.426 5.081 30 20 CKED O=C(/C=C/c1csc(Cl)c1Cl)c1cccs1 761473203 ASMYEGCHLPPVFW-ONEGZZNKSA-N 289.208 5.013 30 20 CKED CC[C@H](Nc1cc(SC)ccc1C)c1ccc(C#N)cc1 447596260 CCHVWAYMRYFEJT-KRWDZBQOSA-N 296.439 5.152 30 20 CKED C[C@H](Nc1c(Cl)cccc1C#N)c1cc2ccccc2o1 609494881 UUWAGKYUTCRUJF-NSHDSACASA-N 296.757 5.131 30 20 CKED C=CC[C@H](N[C@H](CC)c1ccc(CC)cc1)c1ccncc1 766018081 FVMNTLONEMJHCK-UXHICEINSA-N 294.442 5.002 30 20 CKED CC(C)(C#N)CCCSCc1csc(C(C)(C)C)n1 161581731 ZNUKMQPHOWMFRW-UHFFFAOYSA-N 296.505 5.004 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CCC1CCC1 189890010 MTBVGPZIWKSJSE-UHFFFAOYSA-N 285.431 5.057 30 20 CKED CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cccs1 340440412 CIDYABHDTMJAJH-IAGOWNOFSA-N 298.455 5.224 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[C@H](C)C1 189906824 FRKBRQIHIOSGDQ-RDJZCZTQSA-N 299.458 5.303 30 20 CKED CCCCCCCC(=O)Nc1c(C)cccc1C(C)C 104963708 KEGDRBPYRXKFLJ-UHFFFAOYSA-N 275.436 5.417 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1C=CCCC1 189884970 GZIWCMGJEPDQOR-INIZCTEOSA-N 297.442 5.223 30 20 CKED O=C(/C=C\c1csc(Cl)c1Cl)c1ccsc1 761479284 YWRHYMADHJYAIY-UPHRSURJSA-N 289.208 5.013 30 20 CKED CC(C)N(CCCCC(C)(C)C#N)[C@H](C)c1ccccc1 428854650 GPXQVPCFMZZTAJ-QGZVFWFLSA-N 286.463 5.178 30 20 CKED C[C@@H](Nc1ccc(F)cc1C#N)c1cccc2ccccc12 317022798 XWJGZZLBNSEHOH-CYBMUJFWSA-N 290.341 5.024 30 20 CKED CCCCCCCC(=O)N1CCC[C@H]1c1ccc(C)cc1 893841554 BTZGZOLBOZMECE-SFHVURJKSA-N 287.447 5.019 30 20 CKED Cc1ccc(C(=O)/C=C/c2cc(-c3ccccc3)cs2)o1 917519173 NLUKXDQYGWZNHU-CMDGGOBGSA-N 294.375 5.213 30 20 CKED CC[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccc1 340456188 VTRITAGFFYIQBL-PMACEKPBSA-N 292.426 5.162 30 20 CKED Cc1ccsc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 340450366 MNRQDBWKRAGRFH-NVXWUHKLSA-N 298.455 5.142 30 20 CKED C[C@@H](SCCCCC#N)c1ccc(Cl)c(Cl)c1 532201983 QIEMPPRMNCHTFW-SNVBAGLBSA-N 288.243 5.481 30 20 CKED CC(C)(C#N)CCCCSCC[C@@H]1CC1(Cl)Cl 818156712 KEPHRHRYFNEOCY-LLVKDONJSA-N 294.291 5.024 30 20 CKED C(/C=C/c1ccco1)=NN(c1ccccc1)c1ccccc1 920356455 LYEWYFHDHDHEBA-DQGNEDQFSA-N 288.350 5.117 30 20 CKED CC(C)(C#N)CCCSCc1ccc(Cl)cc1F 435996277 SXTMXNOJPUNEGQ-UHFFFAOYSA-N 285.815 5.042 30 20 CKED C=CCC[C@H](NCc1sccc1Cl)c1ccccc1 558850845 LVQNDLRZZRJLTK-HNNXBMFYSA-N 291.847 5.199 30 20 CKED CSc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 5129514 GZUHZXGASQVUEK-DHZHZOJOSA-N 294.375 5.051 30 20 CKED N#CCCCCSCc1csc(C2CCCCC2)n1 161398850 RXWUMZSSTAHRIM-UHFFFAOYSA-N 294.489 5.118 30 20 CKED CC(C)(C#N)CCCSC1CCC(C(F)(F)F)CC1 451038332 TZMCAYRGVSSDNY-UHFFFAOYSA-N 293.398 5.171 30 20 CKED C[C@H](Nc1cccc2ccccc12)c1ccc(C#N)cc1F 512290202 XSDHYMASWZGWSS-ZDUSSCGKSA-N 290.341 5.024 30 20 CKED CC(C)c1ncc(/C=C2/C[C@H](C)c3ccccc3C2=O)s1 751536040 ONICQPJKVZXTBA-VWLVURMCSA-N 297.423 5.040 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(C)c1 189886366 GUHGUHBTWOMVOP-UHFFFAOYSA-N 293.410 5.099 30 20 CKED C[C@H](Nc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 37200488 OPQGADWNTHVGSP-JTQLQIEISA-N 291.181 5.038 30 20 CKED CC1=C[C@H](C)C[C@@H](CN[C@@H](CCCC#N)c2ccccc2)C1 561315526 SHLIHOMSKWLPCE-HQRMLTQVSA-N 296.458 5.004 30 20 CKED CCCCCCCC(=O)N1CCC[C@H]1c1cccc(C)c1 917865382 CKXORLMWQAPHDJ-SFHVURJKSA-N 287.447 5.019 30 20 CKED C=C(C)C[C@H](C)C(=O)Nc1c(CCC)cccc1C(C)C 191540681 YZRCYVQGBZHWPN-HNNXBMFYSA-N 287.447 5.303 30 20 CKED C=CCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 177747963 NFQZPMCRXOIGHM-UHFFFAOYSA-N 273.420 5.228 30 20 CKED CC[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 414194198 XRAUXEWBJOKDSS-UGSOOPFHSA-N 298.817 5.014 30 20 CKED C=CCCCCCN(C)C(=O)Nc1cccc(C(C)C)c1 523550820 AZBGEISDMAKWIK-UHFFFAOYSA-N 288.435 5.020 30 20 CKED Cc1ccc2c(c1)C(c1ccccc1)=C(c1ccccc1)C2=O 91366443 TUVHGAJXXUFXAB-UHFFFAOYSA-N 296.369 5.150 30 20 CKED CC(C)c1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 386028364 QWXFRUGTICRLEX-CVEARBPZSA-N 292.426 5.093 30 20 CKED CCCCC[C@H](NCc1ccc(C#N)s1)c1ccccc1 749110556 KZZUULISPBIJIF-SFHVURJKSA-N 298.455 5.031 30 20 CKED CC1(C)CCC[C@@H](C=NOc2ccccc2C(F)(F)F)C1 754709001 HLERZRCRMBSEMG-GFCCVEGCSA-N 299.336 5.286 30 20 CKED CCCCCCCCc1csc2ccsc12 1857523736 ZMHJPXMMAUKSOS-UHFFFAOYSA-N 252.448 5.866 30 20 CKED CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccsc1 453235939 JSPGYNCIRGVFIK-MSOLQXFVSA-N 298.455 5.224 30 20 CKED CC1=CCC[C@H](C)[C@@H]1C=NOc1ccccc1C(F)(F)F 773207782 KJRIXRNCCVHQIE-QWHCGFSZSA-N 297.320 5.062 30 20 CKED C=CCC[C@H](N[C@H](C)c1ccccc1)c1ccccc1 557282720 UWCVKLQORNCKCN-APWZRJJASA-N 265.400 5.045 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC(C)(C)C=C 890165709 KYLAGPUMXGEMPE-UHFFFAOYSA-N 285.431 5.079 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)C(C)C 189911353 ALSFGAHFSDYKBS-HNNXBMFYSA-N 287.447 5.159 30 20 CKED Cc1c(C2CCCCC2)noc1N=C(O)CC1CCCC1 330127870 JEHKVQVEKWNNPW-UHFFFAOYSA-N 290.407 5.199 30 20 CKED C[C@H](Sc1ccccc1C#N)c1cccc(Cl)c1 439691723 BNEGQVRECKOGBQ-NSHDSACASA-N 273.788 5.065 30 20 CKED Clc1ccccc1NN=Cc1c(Cl)cccc1Cl 916262433 FQNSCJIAGCDJDJ-UHFFFAOYSA-N 299.588 5.093 30 20 CKED CCc1ccc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)s1 90665593 AYNZDYFNRAKMPS-PBHICJAKSA-N 298.455 5.006 30 20 CKED CC1=C(/C(O)=N/[C@@H](C#N)c2ccc(C(C)(C)C)cc2)CCC1 330561722 CHMZBPJVVYVXPT-KRWDZBQOSA-N 296.414 5.006 30 20 CKED CC[C@H](NCCCCC(C)(C)C#N)c1ccc(Cl)s1 444686472 SQSGUPPTKZTJOK-LBPRGKRZSA-N 298.883 5.162 30 20 CKED CSc1ccc(C(=O)/C=C/c2cccs2)c(Cl)c1 765604822 IIDPFDKRWIEAJK-FNORWQNLSA-N 294.828 5.020 30 20 CKED CC(C)(C#N)CCCCSCc1ccc(C(F)F)cc1 435894493 VYFGXVWFYWADIL-UHFFFAOYSA-N 297.414 5.577 30 20 CKED C[C@H](Nc1ccc(CC#N)cc1)c1ccc(C(C)(C)C)cc1 315601604 TZZNFJKHQYRWSQ-HNNXBMFYSA-N 292.426 5.223 30 20 CKED C[C@H]1C/C(=C/c2cncc3ccccc23)C(=O)c2ccccc21 751535351 JOAAHJWIQMMDGF-HNDQUVLASA-N 299.373 5.008 30 20 CKED CCC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccsc1 187802037 JXTPHRKMHBSTND-MSOLQXFVSA-N 298.455 5.224 30 20 CKED CCC[C@@H](N[C@@H](CC)c1ccc(C#N)cc1)c1ccccc1 447510976 RHMQWVXUFCSDLY-VQTJNVASSA-N 292.426 5.140 30 20 CKED C[C@H](SCCCC(C)(C)C#N)c1c(F)cccc1F 476473854 VKZQLYQUNSUPFE-NSHDSACASA-N 283.387 5.089 30 20 CKED C[C@@H](Nc1ccc(F)cc1C#N)c1csc2ccccc12 742403984 KZCHHPRIZDJHQF-LLVKDONJSA-N 296.370 5.085 30 20 CKED CC(C)(C#N)CCCCSCCCc1ccsc1 435888182 GYBHIHGOKVHMQU-UHFFFAOYSA-N 281.490 5.134 30 20 CKED CC[C@@H](SCCCC(C)(C)C#N)c1ccccc1 466979365 QDLPGISTURSYQL-OAHLLOKOSA-N 261.434 5.201 30 20 CKED Cc1sc2nc(CC#N)c(C(C)(C)C)c(C3CC3)c2c1C 609432278 TWDJKXBVHZJUJR-UHFFFAOYSA-N 298.455 5.154 30 20 CKED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 90664799 BVNIQSNYXYMSLG-KSSFIOAISA-N 298.817 5.036 30 20 CKED C=C(C)C[C@H](C)C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 466432797 ZUCIJXGTGPEHIB-PKOBYXMFSA-N 299.458 5.041 30 20 CKED C[C@@H](c1ccc2ccccc2c1)N(CCCCC#N)C1CC1 110471265 PTRQFOFZUQUXGY-INIZCTEOSA-N 292.426 5.059 30 20 CKED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C)c1 353633139 RPNAEZAFZZQAAW-UXHICEINSA-N 292.426 5.081 30 20 CKED C=CC[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1C(C)C 522659833 OMPRBYMQLZRXIM-CQSZACIVSA-N 288.435 5.020 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1c(C)coc1C 286455451 JGLPAZCXJWUPDS-UHFFFAOYSA-N 297.398 5.001 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(C)C 189891136 LKEPLXPQJWHPOQ-HNNXBMFYSA-N 287.447 5.159 30 20 CKED C[C@H](Nc1cccc(C2CCC2)c1)c1ccc(C#N)cc1F 462970560 WFUZEWSOWNYILW-ZDUSSCGKSA-N 294.373 5.138 30 20 CKED C[C@H](CCC#N)S[C@@H](c1ccccc1)c1ccc(F)cc1 549199187 GDSCTHUEYYXVPV-KDOFPFPSSA-N 299.414 5.341 30 20 CKED Cc1ccsc1/C=C\C(=O)c1oc2ccccc2c1C 747138756 ICUIROAPZYPUMY-FPLPWBNLSA-N 282.364 5.007 30 20 CKED Cc1ccc(NN=Cc2ccccc2-c2ccccc2)cc1 917530916 IWPMNFGFOIBDAK-UHFFFAOYSA-N 286.378 5.108 30 20 CKED CC(C)c1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 195613873 LWUIWWSTDVMDOV-HOTGVXAUSA-N 292.426 5.093 30 20 CKED CC(C)c1ccc(S[C@H](C#N)Cc2ccccc2)cc1 603454282 KEKRIDDHPDTWFE-SFHVURJKSA-N 281.424 5.037 30 20 CKED CC[C@@H]1CCC[C@@H](C=NOc2ccccc2C(F)(F)F)C1 783862875 NGOWGPRBEILOQC-CHWSQXEVSA-N 299.336 5.286 30 20 CKED CC(C)(C)C[C@H](NCC(C)(C)CCC#N)c1ccccc1 229687706 VYQSZCHICOFOTM-KRWDZBQOSA-N 286.463 5.083 30 20 CKED C=CCC[C@H](N[C@@H](C)c1ccc(C)cc1O)c1ccccc1 756758149 FSDVBFCSZTXGDL-LPHOPBHVSA-N 295.426 5.059 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccccc1C 189874351 IMJGXGYZGLBMLE-UHFFFAOYSA-N 293.410 5.099 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[C@@H](C)C1 189906811 FRKBRQIHIOSGDQ-WBVHZDCISA-N 299.458 5.303 30 20 CKED C=CCC[C@H](N[C@H]1CCSc2ccccc21)c1ccco1 513697627 PWVHQRRIIMINNT-HOTGVXAUSA-N 299.439 5.114 30 20 CKED N#Cc1c(Cl)cccc1SCCCCC(F)(F)F 542101642 GXNAOYAQWKHMFD-UHFFFAOYSA-N 293.741 5.036 30 20 CKED CCCCCCCCC(=O)N1[C@H]2CC[C@H]1c1ccccc12 739631421 AOTNTESEPSEVJJ-ROUUACIJSA-N 285.431 5.155 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@@H]1CC 451339227 ZVUXCXHVIQRBNA-MAUKXSAKSA-N 299.458 5.303 30 20 CKED O=C(/C=C/c1cc(-c2ccccc2)cs1)c1ccsc1 749105951 ZQFUZYHNBPOWBU-VOTSOKGWSA-N 296.416 5.373 30 20 CKED FC(F)(F)c1ccccc1ON=CC1CCCCCC1 754713102 ZKNYVTSNBOKAPN-UHFFFAOYSA-N 285.309 5.040 30 20 CKED Clc1ccc(NN=Cc2c(Cl)cccc2Cl)cc1 916246931 PTSGCXNMQLDLFB-UHFFFAOYSA-N 299.588 5.093 30 20 CKED C=CCCc1ccccc1NC(=O)c1cc(Cl)ccc1C 410349860 RBYKYKDKMCBHRN-UHFFFAOYSA-N 299.801 5.019 30 20 CKED CC(C)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccs1 539494951 XKZBNIIUCUHFTG-WMLDXEAASA-N 298.455 5.058 30 20 CKED CC(C)(C#N)CCCCSC1CCC(F)(F)CC1 901737421 PEDNPBCDNWXYRM-UHFFFAOYSA-N 275.408 5.018 30 20 CKED C=CCCC(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C 303175116 RTTCKWIOUDLBAU-UHFFFAOYSA-N 299.801 5.220 30 20 CKED C[C@H](SCCC(C)(C)C#N)c1ccccc1Cl 578933507 LTKATYAJSRXWBG-NSHDSACASA-N 267.825 5.074 30 20 CKED CCSc1cccc(N[C@@H](CC)c2ccc(C#N)cc2)c1 618574230 YNPMPQYOWXKYQL-SFHVURJKSA-N 296.439 5.233 30 20 CKED CC(C)=CCC/C(C)=C\C=NNc1cccc2ncccc12 915964769 NHEQWZNBDVUWHX-UESRQGSNSA-N 293.414 5.325 30 20 CKED Cc1ccccc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 340449749 WQRHNILMLCLOGK-FXAWDEMLSA-N 292.426 5.081 30 20 CKED CSc1ccccc1N=Cc1c(O)ccc2ccccc12 920942692 BJBUXIVLCJSUKN-UHFFFAOYSA-N 293.391 5.018 30 20 CKED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 36979256 VAYGWXAIIJNLOA-SCLBCKFNSA-N 298.817 5.014 30 20 CKED C=CCC[C@@H](C(=O)Nc1ccccc1Cl)c1ccccc1 487641161 OXEIIRNTEHAOSC-OAHLLOKOSA-N 299.801 5.029 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)oc1C 189868539 TYFUKEIOSNYKDV-UHFFFAOYSA-N 297.398 5.001 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC[C@@H]1C 424787770 FVKXAXXDVUDIBI-YJBOKZPZSA-N 299.458 5.303 30 20 CKED Cc1cc(CS[C@H](C)c2ccc(C#N)cc2)c(C)s1 522841811 OSUJLOBUDQSEQX-GFCCVEGCSA-N 287.453 5.231 30 20 CKED CCCCCCCCCN(C)C(=O)Nc1ccccc1F 918541313 FKRHHCTXUJXYJP-UHFFFAOYSA-N 294.414 5.040 30 20 CKED C[C@H](Nc1cccc(Cl)c1Cl)c1cccc(C#N)c1 37243778 CPROUOCIMPXYNS-JTQLQIEISA-N 291.181 5.038 30 20 CKED CC1=C(/C(O)=N/[C@H](C#N)c2ccc(C(C)(C)C)cc2)CCC1 330561724 CHMZBPJVVYVXPT-QGZVFWFLSA-N 296.414 5.006 30 20 CKED C=CCCc1ccccc1NC(=O)c1cccc(Cl)c1C 410353218 QZDSYFIXVIHFER-UHFFFAOYSA-N 299.801 5.019 30 20 CKED CC(/C=C\C(=O)c1c[nH]c2ccccc12)=C\c1ccccc1 750903707 CRJCLSZABBWQHX-XGRKLIJNSA-N 287.362 5.010 30 20 CKED Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F 98177711 ZSWXSINGKZZWMW-UHFFFAOYSA-N 296.128 5.105 30 20 CKED C[C@@H](S[C@@H](C#N)C1CCCCC1)c1ccc(F)cc1 524535063 OKPLQOSCCBAHKP-WBMJQRKESA-N 277.408 5.092 30 20 CKED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 90664802 BVNIQSNYXYMSLG-RDTXWAMCSA-N 298.817 5.036 30 20 CKED C=C(C)C[C@H](C)C(=O)Nc1c(CC)ccc(Cl)c1CC 464543578 AWGMBDAMZJKVDQ-LBPRGKRZSA-N 293.838 5.006 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1oc(C)cc1C 189912382 AAVSWWHPOFUERK-UHFFFAOYSA-N 297.398 5.001 30 20 CKED C=CCC[C@@H](Nc1cccc(-c2nc(C)c(C)o2)c1)C1CC1 540750373 GXENYWHBYWONDP-GOSISDBHSA-N 296.414 5.115 30 20 CKED CCCCCCCCCCC(=O)N1Cc2ccccc2C1 729954386 NOJWXHGWWIBBLN-UHFFFAOYSA-N 287.447 5.060 30 20 CKED C[C@H](Nc1cccc2ccsc12)c1ccc(C#N)c(F)c1 777710743 YXMNFBNQZKKUQV-NSHDSACASA-N 296.370 5.085 30 20 CKED C[C@H](c1cccc(Cl)c1)N(C)CCCCC(C)(C)C#N 235167885 URAHTORFDSSLBU-CQSZACIVSA-N 292.854 5.053 30 20 CKED CC(C)(C#N)CCCCSc1cccc(Cl)c1C#N 436186644 QFEUUEYZODUZMY-UHFFFAOYSA-N 292.835 5.024 30 20 CKED C[C@@H](Sc1ccccc1C#N)c1ccc(F)c(Cl)c1 439699470 PHHIQKQVHVECJB-SNVBAGLBSA-N 291.778 5.204 30 20 CKED CC(C)[C@@H](c1ccccc1)N(C)CCCCC(C)(C)C#N 444648368 JJTSEVVCZOPWCS-SFHVURJKSA-N 286.463 5.036 30 20 CKED CCc1ccc([C@@H](C)N[C@H](CCC#N)c2ccccc2)s1 90665595 AYNZDYFNRAKMPS-RHSMWYFYSA-N 298.455 5.006 30 20 CKED Cc1ccc(/C=C/C(=O)c2oc3ccccc3c2C)s1 747137853 BEKTYPTYAHTKLE-MDZDMXLPSA-N 282.364 5.007 30 20 CKED CC(C)(C)C[C@@H](NCCCCC#N)c1ccc(Cl)cc1 540414073 IIBUGZOOGOYPLR-MRXNPFEDSA-N 292.854 5.101 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1ccc(C)cc1O)c1ccccc1 756758150 FSDVBFCSZTXGDL-QFBILLFUSA-N 295.426 5.059 30 20 CKED CCCCCCCCc1ccc2c(c1)CCCC2=O 100074997 GDKDOVHLKSSPTH-UHFFFAOYSA-N 258.405 5.109 30 20 CKED C[C@@H](C#N)S[C@H](c1ccccc1)c1ccc(Cl)cc1 261369939 CNYSNPQNKOOGMH-BLLLJJGKSA-N 287.815 5.075 30 20 CKED C[C@H](CCC(C)(C)C)N[C@H](CCCC#N)c1ccccc1 556205135 LOGSZWBGMDZUJA-SJLPKXTDSA-N 286.463 5.226 30 20 CKED C[C@H](S[C@H](C)c1cccs1)c1cccc(C#N)c1 785448573 LQAYLJAOSCXXBJ-NWDGAFQWSA-N 273.426 5.175 30 20 CKED C[C@@H](SCCCCC#N)c1cccc2ccccc12 531945611 ZOFVRJZQURNPOX-CQSZACIVSA-N 269.413 5.328 30 20 CKED C[C@H](CCC#N)S[C@H](c1ccccc1)c1ccc(F)cc1 549199189 GDSCTHUEYYXVPV-RDTXWAMCSA-N 299.414 5.341 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1CC[C@H](C)C1 476122473 KFIYAYBYMFVODL-HOTGVXAUSA-N 299.458 5.303 30 20 CKED CC[C@@H](CSCCCCC(C)(C)C#N)CC(F)F 596394946 NYLJPSCOXHBZOW-GFCCVEGCSA-N 277.424 5.121 30 20 CKED CCCCCCCCC(=O)Nc1cccc([C@@H](C)OC)c1 726930420 CZCCUPGCVLTNPX-OAHLLOKOSA-N 291.435 5.083 30 20 CKED C=CC[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1ccncc1 766023424 UPRCYSDVYMTLHN-OXQOHEQNSA-N 294.442 5.173 30 20 CKED CCC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccsc1 187802068 JXTPHRKMHBSTND-QZTJIDSGSA-N 298.455 5.224 30 20 CKED CC[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1 90665590 UKDDKDFPXDYJGN-UXHICEINSA-N 292.426 5.081 30 20 CKED COc1ccccc1[C@@H](C)SCCCCC(C)(C)C#N 436204357 LTXHEYHSXLGABY-CQSZACIVSA-N 291.460 5.209 30 20 CKED Cc1ccsc1C(=O)/C=C\c1csc2ccccc12 733749517 ZFWDBKDQCARPII-SREVYHEPSA-N 284.405 5.167 30 20 CKED C=CC[C@@H](N[C@H](C)c1cccc(C(C)C)c1)c1ccncc1 858365786 ROSIDOUPFOBKDV-OXQOHEQNSA-N 294.442 5.173 30 20 CKED C=CC[C@H](C)[C@H](C)Nc1cccc(COCc2ccco2)c1 538537270 JWJKRQHJKLAEAF-HOTGVXAUSA-N 299.414 5.009 30 20 CKED CC(C)(C#N)CCS[C@H]1CCc2ccc(Cl)cc21 576856745 MSMBFFIQUIGXNE-AWEZNQCLSA-N 279.836 5.000 30 20 CKED CC(C)(C)Sc1ccc(NCc2cccc(C#N)c2)cc1 770557014 DHJJPDGSUOYDRR-UHFFFAOYSA-N 296.439 5.061 30 20 CKED C[C@H](SCCC(C)(C)C#N)c1ccc(OC(F)F)cc1 573639504 CMPNVEIYRBOUEP-NSHDSACASA-N 299.386 5.022 30 20 CKED CC(=NNc1c(C)cccc1C(C)C)C1CCSCC1 812232944 NSFFUBYMSXOKCB-UHFFFAOYSA-N 290.476 5.049 30 20 CKED C=CCC[C@H](N[C@@H](C)c1ccc(C)nc1C)c1ccccc1 678602123 AAZKEJRJKANJGG-PXNSSMCTSA-N 294.442 5.057 30 20 CKED CCc1oc2ccccc2c1C=NNc1cc(C)ccc1C 730551014 FZQITAUAYSUQFH-UHFFFAOYSA-N 292.382 5.058 30 20 CKED C=CCC[C@@H](N[C@H](C)c1ccc(C)cc1O)c1ccccc1 756758151 FSDVBFCSZTXGDL-VQIMIIECSA-N 295.426 5.059 30 20 CKED CC[C@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 37283073 RCKYYNRTBVLQLW-ACJLOTCBSA-N 298.817 5.014 30 20 CKED CC(C)(C#N)CCCSCc1cc(F)ccc1Cl 437930886 FERPIMDSNDETGR-UHFFFAOYSA-N 285.815 5.042 30 20 CKED CC(C)C[C@@H](NCCCCC(C)(C)C#N)c1cccs1 444668686 CVTDPFISDLGBFR-OAHLLOKOSA-N 292.492 5.145 30 20 CKED C[C@@H](CCC#N)Sc1ccc(Cl)c(C(F)(F)F)c1 470451652 KICILPBGONJUGB-QMMMGPOBSA-N 293.741 5.143 30 20 CKED CCCCCCCCC(=O)N(C)[C@@H](C)c1cccs1 828307868 AAGMWGXZAHBWSN-AWEZNQCLSA-N 281.465 5.018 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCCC2 476092950 VAIXKALPTCCZHL-KRWDZBQOSA-N 297.442 5.057 30 20 CKED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C)cc1 90665592 UKDDKDFPXDYJGN-WOJBJXKFSA-N 292.426 5.081 30 20 CKED CC[C@@H](Sc1ccccc1C#N)c1ccc(F)cc1F 439710211 QDJLMBIKXAUVNX-OAHLLOKOSA-N 289.350 5.080 30 20 CKED CC(C)(C#N)CCSc1ccc(-c2ccccc2)cc1 463249141 CGLJHSIUGSLZCY-UHFFFAOYSA-N 281.424 5.386 30 20 CKED CC(=NNc1cccc2ccccc12)c1ccc(C)s1 747060313 PHRFQTLFXMHROZ-UHFFFAOYSA-N 280.396 5.046 30 20 CKED CC(C)(C#N)CCCSCc1nc(C(C)(C)C)cs1 161938135 NJNQXJHEFTZTLI-UHFFFAOYSA-N 296.505 5.004 30 20 CKED C[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 390462080 HALMGRZRXUUCKD-MRXNPFEDSA-N 298.389 5.398 30 20 CKED C[C@H](SCCCC(C)(C)C#N)c1ccc(F)cc1F 480426947 SNBUNDXJPMSVGQ-NSHDSACASA-N 283.387 5.089 30 20 CKED CC(CCc1ccco1)=NNc1ccc(Cl)c(Cl)c1 917022837 KKOZLDOABFPZSO-UHFFFAOYSA-N 297.185 5.007 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C\C(C)(C)C 789718299 GBJNDPAQFZXWKQ-SEYXRHQNSA-N 285.431 5.079 30 20 CKED CC[C@H](NCCCCC(C)(C)C#N)c1cccc(Cl)c1 444674463 KWAIQECIYHULRY-INIZCTEOSA-N 292.854 5.101 30 20 CKED CC1=CCC[C@@H](C)[C@H]1C=NOc1ccccc1C(F)(F)F 773207781 KJRIXRNCCVHQIE-OLZOCXBDSA-N 297.320 5.062 30 20 CKED C=C(C)C[C@@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C 464568508 KVVQQVKKRSWVDH-OAHLLOKOSA-N 287.447 5.474 30 20 CKED CC(C)(C#N)CCCNc1cccc(C(F)F)c1Cl 544639870 POAJNXDKMFEOAH-UHFFFAOYSA-N 286.753 5.019 30 20 CKED CC(C)C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccs1 539494950 XKZBNIIUCUHFTG-RHSMWYFYSA-N 298.455 5.058 30 20 CKED N#CCCCCSc1ccc(Cl)c(C(F)(F)F)c1 217066988 BXGZHXJKYIFMIB-UHFFFAOYSA-N 293.741 5.145 30 20 CKED C[C@@H](SCCCCC(F)(F)F)c1cccc(C#N)c1 443140719 KVPHJVNTRXDMDB-LLVKDONJSA-N 287.350 5.085 30 20 CKED CCC(C=NOc1ccccc1C(F)(F)F)(CC)CC 814888377 XFDHLZLYBTXVCP-UHFFFAOYSA-N 287.325 5.286 30 20 CKED CCC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)c1ccccc1 447510974 RHMQWVXUFCSDLY-PMACEKPBSA-N 292.426 5.140 30 20 CKED CC[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(C#N)cc1 447519619 YYKYEGKMDCWWMF-UGSOOPFHSA-N 298.817 5.014 30 20 CKED CCCCN(CCCC(C)(C)C#N)[C@@H](C)c1ccc(C)o1 610447549 RKYQMKBIHXAEOF-INIZCTEOSA-N 290.451 5.081 30 20 CKED C[C@H](Nc1ccc(C#N)cc1F)c1cccc2ccccc12 303085446 BAZAYGNOERRYLU-ZDUSSCGKSA-N 290.341 5.024 30 20 CKED CCN(CC(C)(C)CCC#N)[C@@H](C)c1cc2ccccc2o1 511897893 VIIDCQBWLXQGJT-HNNXBMFYSA-N 298.430 5.146 30 20 CKED O=C(/C=C\c1ccc2ccccc2c1)c1cc(F)ccc1F 916134082 CMWRXGCWFWJNJI-POHAHGRESA-N 294.300 5.014 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C(C)=C1CCCC1 188073677 OZTOTSXUYLGQAE-UHFFFAOYSA-N 297.442 5.368 30 20 CKED O=C(/C=C/c1ccc(F)cc1)c1cccc(Cl)c1Cl 734981284 PJTKZKYBDLVLEJ-RMKNXTFCSA-N 295.140 5.029 30 20 CKED C=CCC[C@H](Nc1ccc(Cl)c(OC)c1)c1ccco1 552277659 CJRVRLCMKBLMFB-AWEZNQCLSA-N 291.778 5.061 30 20 CKED C[C@@H](Nc1ccc2c(c1)C=CCCC2)c1cccc(C#N)c1 600852548 PKOAKDVVEVTONW-OAHLLOKOSA-N 288.394 5.081 30 20 CKED C=CCC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccco1 571828335 PSGDFBROCWZWKI-ROUUACIJSA-N 299.389 5.093 30 20 CKED C[C@H](S[C@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 609825584 GTMVGZAVGRTCGD-QWHCGFSZSA-N 285.387 5.253 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)s1 189880602 ASFNHZIHSZQNAL-UHFFFAOYSA-N 299.439 5.161 30 20 CKED CC(C)(C#N)CCCCN[C@@H](c1ccccc1)C(C)(C)C 444654989 QSOIUOJWGQIOEK-KRWDZBQOSA-N 286.463 5.083 30 20 CKED CC1=C[C@H](C)C[C@H](CN[C@H](CCCC#N)c2ccccc2)C1 561315548 SHLIHOMSKWLPCE-XKGZKEIXSA-N 296.458 5.004 30 20 CKED C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CCCCC#N 464766957 VKKIXCBAROLOMN-KRWDZBQOSA-N 292.426 5.040 30 20 CKED CC(=NNc1ccc(Cl)c(Cl)c1)c1sccc1C 733743536 XRWFSVCDDDIFEL-UHFFFAOYSA-N 299.226 5.199 30 20 CKED CCCCC[C@@H](NCc1ccc(C#N)s1)c1ccccc1 749110554 KZZUULISPBIJIF-GOSISDBHSA-N 298.455 5.031 30 20 CKED CC(C)C[C@H](N[C@H](C)c1ccc(C#N)cc1)c1cccs1 539494949 XKZBNIIUCUHFTG-PBHICJAKSA-N 298.455 5.058 30 20 CKED O=C(/C=C\c1ccccc1F)c1cccc(Cl)c1Cl 734979765 DKHWEULQSVVUCK-HJWRWDBZSA-N 295.140 5.029 30 20 CKED C[C@@H](Nc1ccc2ccccc2c1)c1ccc(C#N)cc1F 781421398 JJMSTDQSRLQUPF-CYBMUJFWSA-N 290.341 5.024 30 20 CKED C[C@H](SCC1(C#N)CC1)c1cc(Cl)ccc1Cl 540618061 JMUHRVRBKFRTLF-VIFPVBQESA-N 286.227 5.091 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC1CCCC1 189874375 CIQNUJPXNQUNOQ-UHFFFAOYSA-N 285.431 5.057 30 20 CKED C=CCC[C@@H](Nc1ccc2scnc2c1)c1ccco1 560537294 PLKMXYCXJXDYSR-CYBMUJFWSA-N 284.384 5.009 30 20 CKED N#CCCCCS[C@H](c1ccccc1)c1ccc(F)cc1 531690522 UJPIAULFMUKKMW-GOSISDBHSA-N 299.414 5.342 30 20 CKED C[C@@H](NCCCCC(C)(C)C#N)c1cccc2ccccc12 444684162 IJOUXRBINDQBBT-MRXNPFEDSA-N 294.442 5.210 30 20 CKED Cc1ccccc1CNc1ccccc1S[C@@H](C)CC#N 66861059 PUWMQPOICODKGK-HNNXBMFYSA-N 296.439 5.001 30 20 CKED C=CCC[C@H](Nc1cccc(-c2nc(C)c(C)o2)c1)C1CC1 540750374 GXENYWHBYWONDP-SFHVURJKSA-N 296.414 5.115 30 20 CKED Cc1ccccc1[C@H](C)SCCCC(C)(C)C#N 480392954 ZSEZNCUSFUEACX-AWEZNQCLSA-N 261.434 5.119 30 20 CKED C[C@@H](c1ccccc1)N(CCCC(C)(C)C#N)C1CCCC1 568566141 PCHIGJYZGAYYFW-KRWDZBQOSA-N 298.474 5.322 30 20 CKED Cc1cc2cc([C@@H](C)NCC(C)(C)CCC#N)oc2cc1C 558237153 HDFKZSHUHJXBIG-OAHLLOKOSA-N 298.430 5.030 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)[C@H](C)CC 189896468 LHBIYQMDCPILGI-HUUCEWRRSA-N 287.447 5.159 30 20 CKED C[C@@H](NC1CCC(C)(C#N)CC1)c1cc2ccccc2s1 449131682 OTJCRWHNWVKETH-MJJDPTRDSA-N 298.455 5.024 30 20 CKED C=CCC[C@@H](N[C@H](C)c1cccc(OC)c1)c1ccccc1 540147732 WDDWIBYJGKGVGO-OXQOHEQNSA-N 295.426 5.053 30 20 CKED CC(C)(C#N)CCSC/C=C/c1ccc(Cl)cc1 554716327 MJPTYXZIQHQTAQ-ONEGZZNKSA-N 279.836 5.026 30 20 CKED C=CCC[C@H](NCc1ccc2ccccc2c1)c1ccco1 513666277 KOUYAQQONFRUHX-IBGZPJMESA-N 291.394 5.230 30 20 CKED Cc1cc(Cl)c(N[C@@H](C)c2cccc(C#N)c2)cc1C 600850779 HPVQXXFJXBGUAH-ZDUSSCGKSA-N 284.790 5.002 30 20 CKED CCC(=NNc1nccc2sccc12)C1CCCCC1 750935112 VUWOWDHDALNMOQ-UHFFFAOYSA-N 287.432 5.055 30 20 CKED C[C@H](Nc1ccc(CCC#N)cc1)c1csc(Cl)c1 903294728 XGCDJCFPWUJYJQ-NSHDSACASA-N 290.819 5.031 30 20 CKED CCC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1 90664468 SUTWCUQVKIZODB-PMACEKPBSA-N 292.426 5.162 30 20 CKED N#CC1(CSCc2sc3ccccc3c2Cl)CC1 538414419 LLAYMPDZRRUUKK-UHFFFAOYSA-N 293.844 5.092 30 20 CKED O=C(/C=C/c1ccccc1F)c1cccc(Cl)c1Cl 734979758 DKHWEULQSVVUCK-CMDGGOBGSA-N 295.140 5.029 30 20 CKED Cc1ccc(/C=C\C(=O)c2cccc3ccccc23)s1 916134943 ZGBZQVONVNCBEQ-QXMHVHEDSA-N 278.376 5.106 30 20 CKED Cc1cc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cs1 453232196 HIUJOKRPTLYJQB-YJBOKZPZSA-N 298.455 5.142 30 20 CKED CC(C)=CCC[C@H](C)N[C@H](CCCC#N)c1ccccc1 559862367 BDHVNIVPWWICKB-PKOBYXMFSA-N 284.447 5.146 30 20 CKED Cc1cc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cs1 453232194 HIUJOKRPTLYJQB-MAUKXSAKSA-N 298.455 5.142 30 20 CKED CC(C)CN(CCCCC#N)[C@@H](C)c1ccccc1Cl 563901546 COMBPASALBYDLW-HNNXBMFYSA-N 292.854 5.053 30 20 CKED O=C(/C=C\c1ccc(C(F)F)cc1)c1csc(Cl)c1 794945319 ZOEYIJZGSSHEOT-UTCJRWHESA-N 298.741 5.235 30 20 CKED CC(C)(C#N)CCCCN[C@H]1CCCC[C@H]1c1ccccc1 444686117 RFFWAZZRQBHBCA-OALUTQOASA-N 298.474 5.022 30 20 CKED CC(C)(C#N)CCCNc1ccc(-c2ccccc2)cc1 87598043 TYPSUYVEWJGBRI-UHFFFAOYSA-N 278.399 5.095 30 20 CKED CSc1ccc(C(=O)/C=C\c2ccsc2)c(Cl)c1 765613309 JDCOYVYVIXBPIW-DJWKRKHSSA-N 294.828 5.020 30 20 CKED C[C@@H](Nc1cccc2ccccc12)c1ccc(C#N)cc1F 512290201 XSDHYMASWZGWSS-CYBMUJFWSA-N 290.341 5.024 30 20 CKED C=CCCCC(=O)Nc1ccc(SC(C)(C)C)cc1C 748305239 XYWYNKGCOWTYLG-UHFFFAOYSA-N 291.460 5.180 30 20 CKED C[C@H](Nc1ccc(C#N)cc1)c1cccc(Cl)c1Cl 227527477 WNXUOJDFESGQDP-JTQLQIEISA-N 291.181 5.038 30 20 CKED C[C@@H]1C/C(=C\c2nccc3ccccc23)C(=O)c2ccccc21 751534087 BHHFREXRZSSCBJ-LBFFYKKLSA-N 299.373 5.008 30 20 CKED C=CCC[C@@H](Nc1ccc(SC)cc1)c1ccco1 556887566 YTYQYAZRKBXYKQ-OAHLLOKOSA-N 273.401 5.121 30 20 CKED C=CCC[C@H](N[C@@H](C)c1ccccc1OC)c1ccccc1 540151391 OSMFSNNUILAOER-LPHOPBHVSA-N 295.426 5.053 30 20 CKED C[C@H](SCCCC(C)(C)C#N)c1cc(F)ccc1F 480388899 NWVKPPSJVLLBEZ-NSHDSACASA-N 283.387 5.089 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1cccc(OC)c1)c1ccccc1 540147731 WDDWIBYJGKGVGO-OXJNMPFZSA-N 295.426 5.053 30 20 CKED Cc1cccc(C(C)C)c1N[C@H](C)c1cccc(C#N)c1 600848664 HDNUWPUNEOCHOA-OAHLLOKOSA-N 278.399 5.163 30 20 CKED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(C)cc1 90665591 UKDDKDFPXDYJGN-VQTJNVASSA-N 292.426 5.081 30 20 CKED CC[C@H](N[C@@H](CC)c1ccc(C#N)cc1)c1ccc(C)cc1 447511586 UQFYIQLZJBJPJZ-PMACEKPBSA-N 292.426 5.059 30 20 CKED C=CCC[C@H](C(=O)Nc1ccccc1Cl)c1ccccc1 487641160 OXEIIRNTEHAOSC-HNNXBMFYSA-N 299.801 5.029 30 20 CKED CC(C)c1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 386028366 QWXFRUGTICRLEX-HZPDHXFCSA-N 292.426 5.093 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C1CCCC1 682803701 NJJALICREWLZRZ-HNNXBMFYSA-N 299.458 5.303 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC(C)(C)C1 476088460 BPBPMQQEUMBCHH-MRXNPFEDSA-N 299.458 5.303 30 20 CKED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 37283074 RCKYYNRTBVLQLW-FZKQIMNGSA-N 298.817 5.014 30 20 CKED C=CCC[C@@H](NCc1ccc2ccccc2c1)c1ccco1 513666278 KOUYAQQONFRUHX-LJQANCHMSA-N 291.394 5.230 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C/C1CCCC1 843584468 XVCNFVZRXOSEDO-BUHFOSPRSA-N 297.442 5.223 30 20 CKED C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 90664800 BVNIQSNYXYMSLG-KDOFPFPSSA-N 298.817 5.036 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C1=CC[C@@H](C)CC1 456033219 VQEPJOKDURGLIA-OAHLLOKOSA-N 297.442 5.223 30 20 CKED C[C@H](Sc1ccccc1Cl)c1ccc(C#N)cc1 303658355 CVXDHLMWGSXXCA-NSHDSACASA-N 273.788 5.065 30 20 CKED N#CCc1ccc(CNc2ccc(-c3ccccc3)cc2)cc1 398966331 RFEGVSSDGJAZLM-UHFFFAOYSA-N 298.389 5.032 30 20 CKED C=CCC[C@@H](N[C@H](C)c1cccs1)c1ccccc1 539054500 QIUOBMACHDFFLD-GDBMZVCRSA-N 271.429 5.106 30 20 CKED CC(C)(C#N)CCCNc1ccccc1-c1ccccc1 87596956 NVNASTXBPLRYBK-UHFFFAOYSA-N 278.399 5.095 30 20 CKED Cc1ccsc1/C=C/C(=O)c1cccc2ccccc12 916134883 RFLLLVZQMHXPQS-MDZDMXLPSA-N 278.376 5.106 30 20 CKED O=C(/C=C\c1cc(-c2ccccc2)cs1)c1ccsc1 749105939 ZQFUZYHNBPOWBU-SREVYHEPSA-N 296.416 5.373 30 20 CKED Clc1ccc(Cl)c(C=NNc2ccccc2)c1Cl 818196187 KFEGAECYEACDHV-UHFFFAOYSA-N 299.588 5.093 30 20 CKED C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 466641694 UWLYXYSIPBCSHJ-LPHOPBHVSA-N 299.458 5.076 30 20 CKED C=CCC[C@@H](N[C@H](C)c1ncccc1CC)c1ccccc1 507463501 UDJZDLYPNHSYGK-VQIMIIECSA-N 294.442 5.002 30 20 CKED C=CCC[C@H](Nc1ccc2oc(CC)nc2c1)c1ccco1 556886677 NTMHSTCGGFJEMR-AWEZNQCLSA-N 296.370 5.103 30 20 CKED C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 466432795 ZUCIJXGTGPEHIB-IEBWSBKVSA-N 299.458 5.041 30 20 CKED Cc1ccccc1[C@@H](NCCCC(C)(C)C#N)C(C)(C)C 539293665 DFCDGPNIMYYNKI-QGZVFWFLSA-N 286.463 5.002 30 20 CKED CCCC[C@H](CC)CSCCCC1(C#N)CCOCC1 507695641 VKDOLTLZNKFPEJ-INIZCTEOSA-N 297.508 5.037 30 20 CKED CCCCCCCCC(=O)N(C)[C@H](C)c1cccs1 828307869 AAGMWGXZAHBWSN-CQSZACIVSA-N 281.465 5.018 30 20 CKED CC(C)[C@H](c1ccccc1)N(C)CCCCC(C)(C)C#N 444648365 JJTSEVVCZOPWCS-GOSISDBHSA-N 286.463 5.036 30 20 CKED C=CCC[C@H](Nc1cccc(SC)c1)c1ccco1 552062899 JAJOANMYPKFSOY-HNNXBMFYSA-N 273.401 5.121 30 20 CKED C[C@H](Nc1ccc(F)cc1C#N)c1cccc2ccccc12 317022799 XWJGZZLBNSEHOH-ZDUSSCGKSA-N 290.341 5.024 30 20 CKED C=CCC[C@@H](Nc1cccc(CSC)c1)c1ccco1 560548328 NHKBQRUDNKBCTB-MRXNPFEDSA-N 287.428 5.262 30 20 CKED CCCCCCCCCCC(=O)Nc1sccc1C#N 915808823 BBIBWAULAJMDCD-UHFFFAOYSA-N 292.448 5.089 30 20 CKED C[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccccc1Cl 90665357 IWVQFWSYONCQEU-KSSFIOAISA-N 298.817 5.036 30 20 CKED C[C@@H]1C/C(=C/c2ccc3cnccc3c2)C(=O)c2ccccc21 782348872 VDLRVDJQERQRMZ-IIMQCXAKSA-N 299.373 5.008 30 20 CKED O=C(/C=C\c1ccc2ccccc2c1)c1ccc(F)cc1F 96765426 PYVHXQRLQNSJGC-POHAHGRESA-N 294.300 5.014 30 20 CKED C=CCC[C@@H](Nc1cccc(SC)c1)c1ccco1 552062900 JAJOANMYPKFSOY-OAHLLOKOSA-N 273.401 5.121 30 20 CKED C=CCC[C@H](Nc1ccc(CSC)cc1)c1ccco1 563904424 XINHSIIEBWVGTM-INIZCTEOSA-N 287.428 5.262 30 20 CKED CCCCCCCC[S@](=O)Cc1ccc(Cl)s1 790133432 AFWUPAIDQRZYSJ-KRWDZBQOSA-N 292.897 5.011 30 20 CKED Cc1ccc(C(C)(C)C)cc1SCCCSCC#N 466616955 GNIXTTOTLTWWOA-UHFFFAOYSA-N 293.501 5.032 30 20 CKED CC[C@@H](Sc1ccc(C#N)cc1)c1ccc(F)cc1F 609962199 IGOQMNGWUCOESW-MRXNPFEDSA-N 289.350 5.080 30 20 CKED O=C(/C=C/c1ccc2ccccc2c1)c1cc(F)ccc1F 916134086 CMWRXGCWFWJNJI-UXBLZVDNSA-N 294.300 5.014 30 20 CKED C[C@@H](Nc1csc2ccccc12)c1ccc(C#N)c(F)c1 495410048 SEIWRIPIACLUJP-LLVKDONJSA-N 296.370 5.085 30 20 CKED CC(C)(C#N)CCCSCc1cccc(F)c1Cl 572310704 PBSGWKKFVOQWRS-UHFFFAOYSA-N 285.815 5.042 30 20 CKED C=CCC[C@@H](N[C@H]1CCCc2ccc(F)cc21)c1ccco1 571828336 PSGDFBROCWZWKI-ZWKOTPCHSA-N 299.389 5.093 30 20 CKED CC(C)(C#N)CCS[C@@H]1CCc2ccc(Cl)cc21 576856749 MSMBFFIQUIGXNE-CQSZACIVSA-N 279.836 5.000 30 20 CKED C1=CC[C@@H](C=NN(Cc2ccccc2)c2ccccc2)CC1 916249853 OHJQPYVACHWUGJ-GOSISDBHSA-N 290.410 5.035 30 20 CKED Cc1ccsc1[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 340450380 MNRQDBWKRAGRFH-WBVHZDCISA-N 298.455 5.142 30 20 CKED N#CCCCCSCCCOc1cccc2ccccc12 480388905 NYVGILTYWPXRBT-UHFFFAOYSA-N 299.439 5.036 30 20 CKED CC(=NN(c1ccccc1)c1ccccc1)c1ccsc1 749099368 OKASFBMMKRUCNQ-UHFFFAOYSA-N 292.407 5.310 30 20 CKED N#CCCS[C@@H](c1ccccc1)c1ccc(Cl)cc1 560207573 RHDVHAADYVYQBI-INIZCTEOSA-N 287.815 5.076 30 20 CKED Cc1cccc(C(C)C)c1N[C@@H](C)c1cccc(C#N)c1 600848663 HDNUWPUNEOCHOA-HNNXBMFYSA-N 278.399 5.163 30 20 CKED N#CCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 237835147 XFZSEKMQYZWZBR-UHFFFAOYSA-N 298.389 5.032 30 20 CKED C[C@@H]1C/C(=C/c2nccc3ccccc23)C(=O)c2ccccc21 751534088 BHHFREXRZSSCBJ-UMWKZLPKSA-N 299.373 5.008 30 20 CKED C[C@H](S[C@H](C)c1ccc(C#N)cc1)c1ccccc1 609825268 NYRZSUGRXQSNKN-UONOGXRCSA-N 267.397 5.114 30 20 CKED C[C@H](Nc1cccc(Cl)c1C#N)c1cc2ccccc2o1 610335724 HXJQAOAZLUXNSE-NSHDSACASA-N 296.757 5.131 30 20 CKED N#Cc1ccccc1CNc1ccc2oc3ccccc3c2c1 166089790 KGQGFFBYSPWJBR-UHFFFAOYSA-N 298.345 5.070 30 20 CKED C=C(C)C[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 464570456 OMDVAJOCUKBFMI-OAHLLOKOSA-N 295.382 5.020 30 20 CKED C[C@H](SCCC(C)(C)C#N)c1cccc(Cl)c1 573009618 MSSRWKYGVWWAJE-NSHDSACASA-N 267.825 5.074 30 20 CKED C[C@H](S[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 609813808 UDFJTSDDVHQMHD-STQMWFEESA-N 285.387 5.253 30 20 CKED C=CCCCCCN(C)C(=O)Nc1ccc(C(C)C)cc1 606933957 LFGUZIJYQGWGIB-UHFFFAOYSA-N 288.435 5.020 30 20 CKED O=C(/C=C/c1cccs1)c1cc2cc(Cl)ccc2o1 16393620 GKGRGPQHAVAORO-SNAWJCMRSA-N 288.755 5.044 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CCC[C@@H]1C 476171110 ZDSLLZJLXDUNLM-RDJZCZTQSA-N 299.458 5.303 30 20 CKED C[C@H](Sc1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 108720839 OVCAJFAMYUAHFW-JTQLQIEISA-N 291.778 5.204 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccc1 536841855 XBRXTFKXLSALFE-OXJNMPFZSA-N 295.426 5.053 30 20 CKED CCSc1ccc(Cl)cc1NCCCC(C)(C)C#N 532413561 UCJCFMMKHWQQJZ-UHFFFAOYSA-N 296.867 5.194 30 20 CKED CC[C@H](N[C@H](C)c1cc(C)sc1C)c1ccc(C#N)cc1 584093182 MEEKLIGGTIGYDN-ACJLOTCBSA-N 298.455 5.039 30 20 CKED Cc1cccc(NN=Cc2ccccc2-c2ccccc2)c1 917531128 WAWKPRQUQGOJQZ-UHFFFAOYSA-N 286.378 5.108 30 20 CKED CC(C)(C#N)CCCCN(Cc1ccco1)c1ccccc1 444658878 GPRWMWVNWJEYNC-UHFFFAOYSA-N 296.414 5.006 30 20 CKED C[C@@H](SCCCC#N)c1cc(Cl)ccc1Cl 479530726 WQMKNOBYFYCYMA-SECBINFHSA-N 274.216 5.091 30 20 CKED CCCCCCCC(=O)Nc1ccccc1C(C)C 103785282 IFNGDTRLTLESQC-UHFFFAOYSA-N 261.409 5.109 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(=C)C 189884876 IPVGEDHZLDEWAP-HNNXBMFYSA-N 285.431 5.079 30 20 CKED C[C@H](Sc1ccc(C#N)cc1)c1ccc(Cl)cc1 518464113 IKNJHLLTTFPUSE-NSHDSACASA-N 273.788 5.065 30 20 CKED C[C@H](S[C@H](C)c1ccc(C#N)cc1)c1cccs1 737404026 OTULMJNOIXMJOV-NEPJUHHUSA-N 273.426 5.175 30 20 CKED CC[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 315450841 MRLVXJJOPYDYMI-GOSISDBHSA-N 296.389 5.190 30 20 CKED O=C(/C=C/c1cccc2ccccc12)c1ccc(F)cc1F 6337351 FQRYQBHVUNPXIA-DHZHZOJOSA-N 294.300 5.014 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[C@H](C)CC 189896506 LHBIYQMDCPILGI-CABCVRRESA-N 287.447 5.159 30 20 CKED CC(C)c1cnc(SCCCC(C)(C)C#N)n1C(C)C 476501724 CIJJNEAEARDLJK-UHFFFAOYSA-N 293.480 5.009 30 20 CKED C[C@H](SCCCCC(F)(F)F)c1cccc(C#N)c1 443140722 KVPHJVNTRXDMDB-NSHDSACASA-N 287.350 5.085 30 20 CKED C[C@H]1C/C(=C\c2cncc3ccccc23)C(=O)c2ccccc21 751535352 JOAAHJWIQMMDGF-LUYJPIOASA-N 299.373 5.008 30 20 CKED C[C@@H](Sc1ccc(C#N)cc1)c1ccc(Cl)cc1 518464112 IKNJHLLTTFPUSE-LLVKDONJSA-N 273.788 5.065 30 20 CKED CC(C)Oc1ccc(CSCCCC(C)(C)C#N)cc1 764639571 OWUITLFTVOXSNA-UHFFFAOYSA-N 291.460 5.037 30 20 CKED CC[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 36922310 NEUSEOPGNOORHE-SFHVURJKSA-N 278.399 5.051 30 20 CKED CC(C)(C#N)CCCCN[C@@H]1CCCC[C@@H]1c1ccccc1 444686119 RFFWAZZRQBHBCA-RTBURBONSA-N 298.474 5.022 30 20 CKED CCCC[C@@H](CC)CSCCCC1(C#N)CCOCC1 507695642 VKDOLTLZNKFPEJ-MRXNPFEDSA-N 297.508 5.037 30 20 CKED C=CCC[C@H](N[C@@H](C)c1cccs1)c1ccccc1 539054511 QIUOBMACHDFFLD-HOCLYGCPSA-N 271.429 5.106 30 20 CKED CC[C@@H]1CCC[C@H](C=NOc2ccccc2C(F)(F)F)C1 783862876 NGOWGPRBEILOQC-OLZOCXBDSA-N 299.336 5.286 30 20 CKED CC(C)(C#N)CCSCc1cccc2ccccc12 610167126 GPENRBPALUDNBJ-UHFFFAOYSA-N 269.413 5.013 30 20 CKED CC(C)Sc1ccc(C(=O)/C=C\c2cccs2)cc1 728441549 LSIWTWDDVYGBIM-KTKRTIGZSA-N 288.437 5.145 30 20 CKED CCCCCCCC(=O)Nc1ccccc1C(F)(F)F 109154599 OFZYEILPSMUPEL-UHFFFAOYSA-N 287.325 5.004 30 20 CKED Cc1ccsc1/C=C\C(=O)c1cccc(Cl)c1Cl 734979261 ADUPLWLRJTYTTQ-WAYWQWQTSA-N 297.206 5.259 30 20 CKED C[C@@H](Nc1ccc(C#N)cc1F)c1cccc2ccccc12 303085444 BAZAYGNOERRYLU-CYBMUJFWSA-N 290.341 5.024 30 20 CKED CC(C)C[C@@H](NCCCCC(C)(C)C#N)c1ccccc1 444685859 QECVXRYKTIDHHM-GOSISDBHSA-N 286.463 5.083 30 20 CKED CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 37272159 SFUWVEREPLNXFH-FZKQIMNGSA-N 298.817 5.014 30 20 CKED CCC[C@H](N[C@H](CCC#N)c1ccccc1)c1ccsc1 187802050 JXTPHRKMHBSTND-ZWKOTPCHSA-N 298.455 5.224 30 20 CKED CCc1ccc([C@H](C)N[C@H](CCC#N)c2ccccc2)s1 90665596 AYNZDYFNRAKMPS-WMLDXEAASA-N 298.455 5.006 30 20 CKED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C)c1 353633038 RPNAEZAFZZQAAW-PMACEKPBSA-N 292.426 5.081 30 20 CKED O=C(/C=C/C=C\c1ccccc1)/C=C/C=C\c1ccccc1 242648939 RLJALOQFYHCJKG-UHFFFAOYSA-N 286.374 5.095 30 20 CKED Cc1ccc(C)c([C@H](C)N(C)CCCCC(C)(C)C#N)c1 444592522 PYMFYCDVIIUDKR-KRWDZBQOSA-N 286.463 5.016 30 20 CKED CC(C)(CCC#N)CN[C@@H]1CCCC[C@H](c2ccccc2)C1 588232171 LQEYQAHPUVLZPB-RBUKOAKNSA-N 298.474 5.022 30 20 CKED C=C(C)C[C@@H](C)C(=O)Nc1c(CCC)cccc1C(C)C 191540695 YZRCYVQGBZHWPN-OAHLLOKOSA-N 287.447 5.303 30 20 CKED C[C@@H](Sc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 524025483 MIUOOAODVSNHKT-SNVBAGLBSA-N 291.778 5.204 30 20 CKED C[C@@H](S[C@H](C#N)C1CCCCC1)c1cccs1 737405464 BUEYOOYIEVCVRT-BXUZGUMPSA-N 265.447 5.015 30 20 CKED CC[C@@H](NCCCCC(C)(C)C#N)c1ccc(Cl)s1 444686471 SQSGUPPTKZTJOK-GFCCVEGCSA-N 298.883 5.162 30 20 CKED CCCCCCCCC(=O)N1CCC[C@H]1c1ccsc1 915628667 HFYWCWNQHWLVOX-INIZCTEOSA-N 293.476 5.162 30 20 CKED C[C@@H](SCCCCC(C)(C)C#N)c1ccccc1 435879799 FIIXOOQZVLJXAG-CQSZACIVSA-N 261.434 5.201 30 20 CKED C=CCC[C@H](NCc1cc2ccccc2s1)c1ccco1 556218653 YCBAVNSPRYUZGG-INIZCTEOSA-N 297.423 5.291 30 20 CKED CC(C)(C#N)CCCNc1ccc2oc3ccccc3c2c1 531650025 OZIAWDDPSRIRFW-UHFFFAOYSA-N 292.382 5.328 30 20 CKED C[C@@H]1C/C(=C\c2cncc3ccccc23)C(=O)c2ccccc21 751535350 JOAAHJWIQMMDGF-DSQDWWTGSA-N 299.373 5.008 30 20 CKED CC(C)(C#N)CCCCSc1ccnc2ccccc12 436196369 ISDJXSHKIXLFKA-UHFFFAOYSA-N 284.428 5.047 30 20 CKED C[C@H](C#N)S[C@@H](c1ccccc1)c1ccc(Cl)cc1 261369947 CNYSNPQNKOOGMH-WBMJQRKESA-N 287.815 5.075 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@H](C)C1 476122475 KFIYAYBYMFVODL-JKSUJKDBSA-N 299.458 5.303 30 20 CKED CC[C@H](Sc1ccccc1C#N)c1ccc(F)cc1F 439710209 QDJLMBIKXAUVNX-HNNXBMFYSA-N 289.350 5.080 30 20 CKED CC(=NNc1cccc(C)c1)c1cc(Cl)sc1Cl 744556240 NXQSRBRMRPPYIU-UHFFFAOYSA-N 299.226 5.199 30 20 CKED C=CCS[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 531658779 RNJKBBBBTOBLSZ-NSHDSACASA-N 293.819 5.284 30 20 CKED CCCCCCCCC(=O)N1CCC[C@H]1c1ccccc1 887337810 WJMRBRLPCZLDMU-SFHVURJKSA-N 287.447 5.101 30 20 CKED C=C(C)C[C@H](C)C(=O)Nc1c(C(C)C)cccc1C(C)C 464568506 KVVQQVKKRSWVDH-HNNXBMFYSA-N 287.447 5.474 30 20 CKED C[C@H](SCCCC#N)c1ccc(Cl)cc1Cl 479506449 UPAQKUNNWBQYPR-VIFPVBQESA-N 274.216 5.091 30 20 CKED Cc1ccc(/C=C\C(=O)c2cccc(Cl)c2Cl)s1 734979356 CFNNYSLZUUTUDS-FPLPWBNLSA-N 297.206 5.259 30 20 CKED C[C@@H](S[C@H](C)c1cccs1)c1cccc(C#N)c1 785448576 LQAYLJAOSCXXBJ-VXGBXAGGSA-N 273.426 5.175 30 20 CKED C[C@@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1Cl 90665360 IWVQFWSYONCQEU-RDTXWAMCSA-N 298.817 5.036 30 20 CKED C=CC[C@H](N[C@@H](C)c1ccc(CCC)cc1)c1ccncc1 766017410 BQOOEKACFOTQIU-JXFKEZNVSA-N 294.442 5.002 30 20 CKED CC(C)Sc1ccc(C(=O)/C=C/c2cccs2)cc1 83193117 LSIWTWDDVYGBIM-MDZDMXLPSA-N 288.437 5.145 30 20 CKED O=C(/C=C/c1ccc(Cl)s1)c1cc2ccccc2o1 14176516 OXPCLFWEMNBBLI-FNORWQNLSA-N 288.755 5.044 30 20 CKED C[C@H](Nc1ccc(C#N)cc1F)c1csc2ccccc12 729987288 WTCSFXFMOMMYEW-NSHDSACASA-N 296.370 5.085 30 20 CKED C=CCC[C@H](N[C@@H]1CCCc2sccc21)c1ccco1 353674280 UJIDXFPPNQOANS-CABCVRRESA-N 287.428 5.016 30 20 CKED C=CCC[C@H](NCc1csc2ccccc12)c1ccco1 513665169 CBKCHDUNZFDEEX-INIZCTEOSA-N 297.423 5.291 30 20 CKED CCCCCCCCNc1ccc(C)c(NC(C)=O)c1C 917397114 OEPQANAMYVMHLJ-UHFFFAOYSA-N 290.451 5.034 30 20 CKED C[C@H](Nc1ccccc1-c1ccccc1)c1cccc(C#N)c1 319631695 BWIIOUASLCMFTQ-INIZCTEOSA-N 298.389 5.398 30 20 CKED C[C@H](Nc1csc2ccccc12)c1ccc(C#N)cc1F 512290196 XRMCLETWDLGJRV-NSHDSACASA-N 296.370 5.085 30 20 CKED CC[C@H](Sc1ccc(C#N)cc1)c1ccc(F)cc1F 609962198 IGOQMNGWUCOESW-INIZCTEOSA-N 289.350 5.080 30 20 CKED CC(C)(C#N)CCSc1ccc(Cl)c(Cl)c1 88304071 LKTXQYNKJCLWNH-UHFFFAOYSA-N 274.216 5.025 30 20 CKED CC(C)Sc1ccccc1NC1CCC(C)(C#N)CC1 449053950 DAFFKUAXRVHLRR-UHFFFAOYSA-N 288.460 5.071 30 20 CKED CC(C)(C#N)CCCCSCC1CCCCC1 600879328 VRYXHEUZSAOHIS-UHFFFAOYSA-N 253.455 5.020 30 20 CKED Cc1ccsc1C(=O)/C=C/c1csc2ccccc12 733749518 ZFWDBKDQCARPII-VOTSOKGWSA-N 284.405 5.167 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CCCC 409950629 ODSLKHRQSYNYQI-HNNXBMFYSA-N 287.447 5.303 30 20 CKED C[C@@H](Sc1ccccc1C#N)c1ccccc1Cl 604433050 ASWULXVGTUYNSO-LLVKDONJSA-N 273.788 5.065 30 20 CKED CC(C)c1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 386028367 QWXFRUGTICRLEX-JKSUJKDBSA-N 292.426 5.093 30 20 CKED C=CCC[C@@H](NCc1ccc(Cl)c(C)c1)c1ccco1 552067821 YZZBDONNOZRIJB-MRXNPFEDSA-N 289.806 5.039 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CCCC 409950631 ODSLKHRQSYNYQI-OAHLLOKOSA-N 287.447 5.303 30 20 CKED C=CCS[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 531658771 RNJKBBBBTOBLSZ-LLVKDONJSA-N 293.819 5.284 30 20 CKED Cc1cc([C@H](C)N[C@H](CCC#N)c2ccccc2)c(C)s1 90664615 JOISLJPQVHSGCD-KBXCAEBGSA-N 298.455 5.061 30 20 CKED C=CCC[C@H](Nc1ccc(-c2nc(C)c(C)o2)cc1)C1CC1 679142244 CKAREXDLUCTLQF-SFHVURJKSA-N 296.414 5.115 30 20 CKED C[C@@H](C1CC1)N(CCCCC(C)(C)C#N)Cc1ccccc1 385768498 BHCIIQBMTKXFDC-KRWDZBQOSA-N 298.474 5.007 30 20 CKED CC1=C[C@@H](C)C[C@@H](C=NOc2ccccc2C(F)(F)F)C1 789635874 DMKMMTKGIAYEMN-DGCLKSJQSA-N 297.320 5.062 30 20 CKED CC(C)=CCC[C@@H](C)N[C@H](CCCC#N)c1ccccc1 559862365 BDHVNIVPWWICKB-IEBWSBKVSA-N 284.447 5.146 30 20 CKED CCN(CCCC(C)(C)C#N)[C@@H](C)c1cc2ccccc2o1 472440257 XBCWCEAYEURCPB-HNNXBMFYSA-N 298.430 5.146 30 20 CKED Cc1cc(C)c(N[C@H](C)c2cccc(C#N)c2)c(Cl)c1 600849227 LNODXUKAQJLWAG-CYBMUJFWSA-N 284.790 5.002 30 20 CKED Cc1cc([C@@H](C)N[C@@H](CCC#N)c2ccccc2)c(C)s1 90664609 JOISLJPQVHSGCD-KDOFPFPSSA-N 298.455 5.061 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CC(=C)C 189884894 IPVGEDHZLDEWAP-OAHLLOKOSA-N 285.431 5.079 30 20 CKED C[C@@H](Nc1cccc(C2CCC2)c1)c1ccc(C#N)cc1F 462970559 WFUZEWSOWNYILW-CYBMUJFWSA-N 294.373 5.138 30 20 CKED Cc1cc(NCCCC(C)(C)C#N)ccc1-c1ccccc1 546538538 JSUKWYYCGXGVIP-UHFFFAOYSA-N 292.426 5.404 30 20 CKED N#CCCCCSC(c1ccccc1)c1ccccc1 619247842 BMXZPPGXRSNYKE-UHFFFAOYSA-N 281.424 5.203 30 20 CKED C[C@H](c1ccccc1)N(CCCC(C)(C)C#N)C1CCCC1 568566142 PCHIGJYZGAYYFW-QGZVFWFLSA-N 298.474 5.322 30 20 CKED CCCCCCCSc1nnc(-c2sccc2C)o1 730150052 GIFQZLWNMVOHAA-UHFFFAOYSA-N 296.461 5.169 30 20 CKED Oc1ccc2ccccc2c1C=Nc1cccc(C(F)F)c1 750950704 ZPMQXJXDTXHHTN-UHFFFAOYSA-N 297.304 5.234 30 20 CKED O=C(/C=C/c1cc2ccccc2o1)c1cc2ccccc2o1 750896111 NAZXOTGUSYMPEJ-MDZDMXLPSA-N 288.302 5.075 30 20 CKED Cc1ccsc1/C=C\C(=O)c1cccc2ccccc12 916134882 RFLLLVZQMHXPQS-KTKRTIGZSA-N 278.376 5.106 30 20 CKED C[C@H](Nc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 37196912 APJRYCKEYCAPIK-JTQLQIEISA-N 291.181 5.038 30 20 CKED CCCCC(C)=NNc1nc(Cl)c(Cl)cc1Cl 916319026 AVJBCTRROFCMCS-UHFFFAOYSA-N 294.613 5.020 30 20 CKED CCCCCCCC(=O)N1CCC[C@@H]1c1cccc(C)c1 917865381 CKXORLMWQAPHDJ-GOSISDBHSA-N 287.447 5.019 30 20 CKED CC[C@H](Nc1ccc(C)c(Cl)c1)c1ccc(C#N)cc1 863988430 PIQTWUGRQBVIPI-KRWDZBQOSA-N 284.790 5.083 30 20 CKED C[C@H](Nc1ccc2c(c1)C=CCCC2)c1cccc(C#N)c1 600852546 PKOAKDVVEVTONW-HNNXBMFYSA-N 288.394 5.081 30 20 CKED CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1cccs1 340440455 CIDYABHDTMJAJH-SJORKVTESA-N 298.455 5.224 30 20 CKED C=CC[C@H](N[C@H](C)c1cccc(C(C)C)c1)c1ccncc1 858365787 ROSIDOUPFOBKDV-UZLBHIALSA-N 294.442 5.173 30 20 CKED C[C@@H](Nc1ccc(C2CCC2)cc1)c1ccc(C#N)c(F)c1 786970849 WOFMGGDTXBTEFI-CYBMUJFWSA-N 294.373 5.138 30 20 CKED Cc1ccsc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 340450375 MNRQDBWKRAGRFH-RDJZCZTQSA-N 298.455 5.142 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC(C)(C)C1 476088459 BPBPMQQEUMBCHH-INIZCTEOSA-N 299.458 5.303 30 20 CKED C=CCC[C@H](CC)Nc1cccc(COCc2ccco2)c1 537435842 KCHSLNVFGSXSAO-KRWDZBQOSA-N 299.414 5.153 30 20 CKED CCCCN(CC(C)(C)CCC#N)[C@H](C)c1ccc(C)o1 611258124 VZESNUUETOFOTP-MRXNPFEDSA-N 290.451 5.081 30 20 CKED CC(C)(C#N)CCCSCc1ccccc1C1CC1 466479427 WLBYFMFNIVGLSL-UHFFFAOYSA-N 273.445 5.127 30 20 CKED C=CCCCC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 479528994 RLMQOOJUDTWSLR-GOSISDBHSA-N 299.458 5.004 30 20 CKED N#Cc1ccc(SCCCCC(F)(F)F)c(Cl)c1 532856860 RMJDNLXOZAUAPW-UHFFFAOYSA-N 293.741 5.036 30 20 CKED C=CCC[C@H](Nc1ccc2scnc2c1)c1ccco1 560537296 PLKMXYCXJXDYSR-ZDUSSCGKSA-N 284.384 5.009 30 20 CKED O=C(/C=C/c1cc(-c2ccccc2)cs1)c1cccs1 48625042 ARQHJRPIKIAADH-CMDGGOBGSA-N 296.416 5.373 30 20 CKED CC(=NNc1ccc(Cl)c(Cl)c1)c1cc(C)oc1C 916250033 TZSHLRYEIFCNBB-UHFFFAOYSA-N 297.185 5.039 30 20 CKED C=CCC[C@H](Nc1cccc([C@H](C)OC)c1)c1ccco1 552282746 MBRWSXDZEWVSSF-YOEHRIQHSA-N 285.387 5.106 30 20 CKED C=CCC[C@H](NCc1ccc2sccc2c1)c1ccco1 582934340 KRCVIKIEIFNLJX-INIZCTEOSA-N 297.423 5.291 30 20 CKED CC(C)(C)C[C@H](NCCCCC#N)c1ccc(Cl)cc1 540414069 IIBUGZOOGOYPLR-INIZCTEOSA-N 292.854 5.101 30 20 CKED Cc1cc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cs1 453232193 HIUJOKRPTLYJQB-CRAIPNDOSA-N 298.455 5.142 30 20 CKED C[C@H](S[C@@H](C)c1cccs1)c1ccc(C#N)cc1 737404032 OTULMJNOIXMJOV-RYUDHWBXSA-N 273.426 5.175 30 20 CKED N#CCCS[C@H](c1ccccc1)c1ccc(Cl)cc1 560207592 RHDVHAADYVYQBI-MRXNPFEDSA-N 287.815 5.076 30 20 CKED C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@H]1c1cccc(C)c1 466432796 ZUCIJXGTGPEHIB-MJGOQNOKSA-N 299.458 5.041 30 20 CKED C=CCC[C@@H](NCc1cc(Cl)cs1)c1ccccc1 487554291 RYZCLTZROLTABQ-MRXNPFEDSA-N 291.847 5.199 30 20 CKED C=CC[C@H](C)[C@@H](C)Nc1cccc(COCc2ccco2)c1 538537272 JWJKRQHJKLAEAF-JKSUJKDBSA-N 299.414 5.009 30 20 CKED Cc1ccc(NCc2ccccc2C(C)(C)C#N)cc1Cl 863996657 SRWAQNFIGXBLQJ-UHFFFAOYSA-N 298.817 5.062 30 20 CKED C[C@@H](S[C@H](C)c1cccs1)c1ccc(C#N)cc1 737404033 OTULMJNOIXMJOV-VXGBXAGGSA-N 273.426 5.175 30 20 CKED C[C@@H](SCCCC(C)(C)C#N)c1ccc(F)cc1F 480426946 SNBUNDXJPMSVGQ-LLVKDONJSA-N 283.387 5.089 30 20 CKED CCCCCCNc1ccccc1S[C@H](C)CC#N 749271428 DYFBIRYUZATEOV-CQSZACIVSA-N 276.449 5.073 30 20 CKED C=C(C)CCS[C@H](C)c1ncc(-c2ccccc2)o1 507819733 SWGPYQDELMCBKT-CYBMUJFWSA-N 273.401 5.102 30 20 CKED C[C@H](NCCCCC#N)c1ccc(C2CCCCC2)cc1 482462187 VIGGHRUWSUSKRP-INIZCTEOSA-N 284.447 5.079 30 20 CKED Cc1ccsc1/C=C\C(=O)c1ccc2ccccc2c1 96603032 UKAFATNJNHMGKU-HJWRWDBZSA-N 278.376 5.106 30 20 CKED CC(C)(C#N)CCCSCc1ccc(Cl)c(F)c1 443136218 QUKSIKWORTWEJM-UHFFFAOYSA-N 285.815 5.042 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CC(C)C 189891119 LKEPLXPQJWHPOQ-OAHLLOKOSA-N 287.447 5.159 30 20 CKED Cc1ccc(S[C@H](C)c2ccc(C#N)cc2)cc1C 303679242 IPYCFRQOCPEWOS-CQSZACIVSA-N 267.397 5.028 30 20 CKED Cc1ccccc1[C@H](C)N[C@@H](CCCC#N)c1ccccc1 340449750 WQRHNILMLCLOGK-PXNSSMCTSA-N 292.426 5.081 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C)CC1 565367684 NGXWKGDCGXRDHJ-JCNLHEQBSA-N 299.458 5.303 30 20 CKED C=CCCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 726495279 LEJRBHKAXVQYAH-UHFFFAOYSA-N 279.343 5.007 30 20 CKED CC1=C[C@H](C)C[C@@H](CN[C@H](CCCC#N)c2ccccc2)C1 561315543 SHLIHOMSKWLPCE-ILZDJORESA-N 296.458 5.004 30 20 CKED C[C@H](S[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 609825266 NYRZSUGRXQSNKN-KBPBESRZSA-N 267.397 5.114 30 20 CKED Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2Cl)s1 734979355 CFNNYSLZUUTUDS-BQYQJAHWSA-N 297.206 5.259 30 20 CKED CC(C)N(CCCCC(C)(C)C#N)[C@@H](C)c1ccccc1 428854647 GPXQVPCFMZZTAJ-KRWDZBQOSA-N 286.463 5.178 30 20 CKED C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 466641695 UWLYXYSIPBCSHJ-QFBILLFUSA-N 299.458 5.076 30 20 CKED CC(C)c1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 195613872 LWUIWWSTDVMDOV-JKSUJKDBSA-N 292.426 5.093 30 20 CKED CC(C)(C#N)CCCSCc1cccc(C(F)F)c1 479609359 XSYKQZJDWGHLKC-UHFFFAOYSA-N 283.387 5.187 30 20 CKED CCCCCCCCCC[C@H]1O[C@H]1CCCCC(C)C 43068405 HFOFYNMWYRXIBP-MOPGFXCFSA-N 282.512 6.501 30 20 CKED CC[C@H](SCCCC(C)(C)C#N)c1ccccc1 466979364 QDLPGISTURSYQL-HNNXBMFYSA-N 261.434 5.201 30 20 CKED CCCCCCCCCCCC[C@H](CC)C(=O)O 100118348 STZGBQSXOHEXRA-HNNXBMFYSA-N 256.430 5.408 30 20 CKED COc1ccccc1[C@@H](C)S[C@H](C)c1ccc(C#N)cc1 463205626 MVCHHFJUXLSNRC-ZIAGYGMSSA-N 297.423 5.122 30 20 CKED C[C@@H](Sc1ccc(C#N)cc1)c1cccc(Cl)c1 497685025 ASXNYISELKWTGH-LLVKDONJSA-N 273.788 5.065 30 20 CKED CC(C)c1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 195613874 LWUIWWSTDVMDOV-HZPDHXFCSA-N 292.426 5.093 30 20 CKED CC[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 315450843 MRLVXJJOPYDYMI-SFHVURJKSA-N 296.389 5.190 30 20 CKED CSc1ccc(C(=O)/C=C/c2ccc(Cl)s2)cc1 21957915 NNKXIIVPKLBIES-SOFGYWHQSA-N 294.828 5.020 30 20 CKED Cc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)s1 340461437 ZHGZZLDXNMNBFR-NVXWUHKLSA-N 298.455 5.142 30 20 CKED O=C(/C=C\c1csc(Cl)c1Cl)c1cccs1 761473178 ASMYEGCHLPPVFW-ARJAWSKDSA-N 289.208 5.013 30 20 CKED CCCCCCCCCC[C@H](C)NCc1ccccc1 100471965 SRZHZECYLYTSQI-SFHVURJKSA-N 275.480 5.696 30 20 CKED in-vitro C=CCC[C@@H](NCc1ccc(C2CC2)cc1F)c1ccco1 425962734 ZIBICVZGRPEAPD-GOSISDBHSA-N 299.389 5.093 30 20 CKED C=CCC[C@H](Nc1cccc([C@@H](C)OC)c1)c1ccco1 552282743 MBRWSXDZEWVSSF-PBHICJAKSA-N 285.387 5.106 30 20 CKED CC(C)(C#N)CCCCN[C@H]1CCCC[C@@H]1c1ccccc1 444686116 RFFWAZZRQBHBCA-MOPGFXCFSA-N 298.474 5.022 30 20 CKED CC[C@H](Sc1ccc(C#N)cc1F)c1ccc(F)cc1 525116561 AIIZSLFFASKEPI-HNNXBMFYSA-N 289.350 5.080 30 20 CKED CC(C)Sc1ccc(C(=O)/C=C/c2ccsc2)cc1 728442150 XIJKTULYGJXEMT-FPYGCLRLSA-N 288.437 5.145 30 20 CKED CCCCCCCCCCCCC#CCCCCO 147715550 JTOAAQPKQNTWHJ-UHFFFAOYSA-N 266.469 5.463 30 20 CKED CCC(CC)[C@H](NCCCC(C)(C)C#N)c1cccs1 539280525 OEEJYSPMINBZQQ-INIZCTEOSA-N 292.492 5.145 30 20 CKED Cc1cccc(CNc2ccccc2S[C@@H](C)CC#N)c1 66861407 CHMLMNCREGUUTN-HNNXBMFYSA-N 296.439 5.001 30 20 CKED Cc1cc(-c2ccccc2)ccc1NCc1ccc(C#N)cc1 514497666 RZRVAYLGZZLNQJ-UHFFFAOYSA-N 298.389 5.146 30 20 CKED CC(C)(CCC#N)CNc1cccc(-c2cccs2)c1 533212167 WLLDZRBABAXCNJ-UHFFFAOYSA-N 284.428 5.157 30 20 CKED C=CCCCNC(=O)Nc1c(C(C)C)cccc1C(C)C 447905617 MYNPPVDHVARXKT-UHFFFAOYSA-N 288.435 5.021 30 20 CKED CC[C@@H](NCCCCC(C)(C)C#N)c1cccc(Cl)c1 444674464 KWAIQECIYHULRY-MRXNPFEDSA-N 292.854 5.101 30 20 CKED CC(C)Sc1ccc(C(=O)/C=C\c2ccsc2)cc1 728442148 XIJKTULYGJXEMT-BAQGIRSFSA-N 288.437 5.145 30 20 CKED C[C@H](Nc1cc(Cl)ccc1C#N)c1cc2ccccc2o1 36954369 KOFNNDQDLFIEQO-NSHDSACASA-N 296.757 5.131 30 20 CKED CCCCCCCCCCCN(C)CCCCCC(=O)O 1776784625 XPABIIVDJQMLSY-UHFFFAOYSA-N 299.499 5.094 30 20 CKED Cc1ccc(C)c([C@@H](C)N(C)CCCCC(C)(C)C#N)c1 444592523 PYMFYCDVIIUDKR-QGZVFWFLSA-N 286.463 5.016 30 20 CKED Cc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)s1 340461444 ZHGZZLDXNMNBFR-WBVHZDCISA-N 298.455 5.142 30 20 CKED O=C(/C=C\c1ccc(F)cc1)c1cccc(Cl)c1Cl 734981286 PJTKZKYBDLVLEJ-TWGQIWQCSA-N 295.140 5.029 30 20 CKED CC(C)c1ncc(/C=C2/C[C@@H](C)c3ccccc3C2=O)s1 751536037 ONICQPJKVZXTBA-FNWMBBJUSA-N 297.423 5.040 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C1=CCCCCC1 189879884 MLDVRIUDOQOTIK-UHFFFAOYSA-N 297.442 5.368 30 20 CKED C=CC[C@@H](N[C@@H](C)c1ccc(CCC)cc1)c1ccncc1 766017411 BQOOEKACFOTQIU-OXJNMPFZSA-N 294.442 5.002 30 20 CKED C[C@H](c1cc2ccccc2o1)N(C)CCCCC(C)(C)C#N 444597992 NWGGGUPDESBNCW-OAHLLOKOSA-N 298.430 5.146 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1CC(C)C 451330958 NAWLXHCSSWVORN-SJLPKXTDSA-N 299.458 5.159 30 20 CKED C[C@H](c1ccccc1Cl)N(C)CCCCC(C)(C)C#N 235167974 UHUKGZIFTUXYIC-CQSZACIVSA-N 292.854 5.053 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CCCC(C)C 451332051 OXFJXWFNFOOAKR-UHFFFAOYSA-N 287.447 5.303 30 20 CKED C=CCC[C@H](NCc1cc(Cl)cs1)c1ccccc1 487554288 RYZCLTZROLTABQ-INIZCTEOSA-N 291.847 5.199 30 20 CKED C[C@H](S[C@H](C)c1ccccc1)c1ccc(C#N)cc1 609825267 NYRZSUGRXQSNKN-KGLIPLIRSA-N 267.397 5.114 30 20 CKED N#Cc1cccc(CSc2ccc3ccccc3c2)c1 5775918 BICMHGYYDSWGBP-UHFFFAOYSA-N 275.376 5.004 30 20 CKED C=CCC[C@@H](Nc1ccc2oc(CC)nc2c1)c1ccco1 556886685 NTMHSTCGGFJEMR-CQSZACIVSA-N 296.370 5.103 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@]1(C)C(C)C 189902561 KTBPCBCLLJJOPX-YLJYHZDGSA-N 299.458 5.159 30 20 CKED C[C@H](S[C@@H](C)c1ccccc1F)c1ccc(C#N)cc1 522839734 GEVCYVHQCAUBJE-STQMWFEESA-N 285.387 5.253 30 20 CKED O=C(/C=C\c1ccc(C(F)F)cc1)c1ccccc1Cl 794927538 SRUFMXXMUUDYAB-YFHOEESVSA-N 292.712 5.174 30 20 CKED C=CCC[C@H](NCc1ccc(Cl)c(C)c1)c1ccco1 552067820 YZZBDONNOZRIJB-INIZCTEOSA-N 289.806 5.039 30 20 CKED CC[C@@H](C#N)S[C@@H](C)c1ccc(Cl)c(Cl)c1 436048466 VNCNEVNAMFVCMD-WPRPVWTQSA-N 274.216 5.090 30 20 CKED C(=NNc1cccc2ccccc12)c1ccccc1C1CC1 751133523 PEMMIWHLNHSEOU-UHFFFAOYSA-N 286.378 5.163 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C=C(CC)CC 189890224 ITMXIXFCBXXADL-UHFFFAOYSA-N 285.431 5.223 30 20 CKED CC(C)c1ncc(/C=C2\C[C@@H](C)c3ccccc3C2=O)s1 751536034 ONICQPJKVZXTBA-AUWXEVLLSA-N 297.423 5.040 30 20 CKED CC(C)(C)Sc1ccc(N[C@H]2CCC[C@@H](C#N)C2)cc1 765921259 SDWQCRIJIVBGHF-HIFRSBDPSA-N 288.460 5.071 30 20 CKED CC[C@H](Nc1cccc(SC)c1C)c1ccc(C#N)cc1 447595238 MAYBZMUVNTWYHV-INIZCTEOSA-N 296.439 5.152 30 20 CKED C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 466641693 UWLYXYSIPBCSHJ-APWZRJJASA-N 299.458 5.076 30 20 CKED N#C[C@@H](SC1CCC(C(F)(F)F)CC1)c1ccccc1 566808162 LQJIVFZPTVATBT-JXQTWKCFSA-N 299.361 5.106 30 20 CKED C[C@H](NC1CCC(C)(C#N)CC1)c1csc2ccccc12 823789959 UEHJEPRYWKVRJN-VNSJNIRKSA-N 298.455 5.024 30 20 CKED C[C@@H](Sc1ccc(Cl)cc1)c1ccc(C#N)cc1 303735102 WQTAGWURCJALOS-LLVKDONJSA-N 273.788 5.065 30 20 CKED Cc1ccc(N[C@H](C)c2cccc(C#N)c2)c(Cl)c1C 600851961 VOCCVKXKCPWSOR-CYBMUJFWSA-N 284.790 5.002 30 20 CKED C=CCC[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccco1 552260756 PSGDFBROCWZWKI-QZTJIDSGSA-N 299.389 5.093 30 20 CKED C=CCc1cccc(C(C)C)c1NCc1ncc(C2CC2)o1 352564091 ZKTIVSYZTWIVSL-UHFFFAOYSA-N 296.414 5.016 30 20 CKED CCC[C@@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccccc1 447510977 RHMQWVXUFCSDLY-WOJBJXKFSA-N 292.426 5.140 30 20 CKED C[C@H](SCc1ccc(Cl)s1)c1ccc(C#N)cc1 735675151 BKWQUURXOYFUMK-JTQLQIEISA-N 293.844 5.268 30 20 CKED Cc1ccc(/C=C\C(=O)c2oc3ccccc3c2C)s1 747137850 BEKTYPTYAHTKLE-KTKRTIGZSA-N 282.364 5.007 30 20 CKED Cc1ccc(S[C@@H](C)c2ccc(C#N)cc2)cc1C 303679241 IPYCFRQOCPEWOS-AWEZNQCLSA-N 267.397 5.028 30 20 CKED COc1ccccc1[C@H](C)SCCCCC(C)(C)C#N 436204356 LTXHEYHSXLGABY-AWEZNQCLSA-N 291.460 5.209 30 20 CKED Clc1cccc(NN=Cc2c(Cl)cccc2Cl)c1 916269571 ZEEUNKPJOOYMMR-UHFFFAOYSA-N 299.588 5.093 30 20 CKED CCCCCCCC(=O)N1CCC[C@@H]1c1ccccc1C 917787847 QOOVOVKEVUBYOR-GOSISDBHSA-N 287.447 5.019 30 20 CKED C[C@@H](S[C@H](C)c1ccccc1F)c1ccc(C#N)cc1 522839731 GEVCYVHQCAUBJE-CHWSQXEVSA-N 285.387 5.253 30 20 CKED C=CCC[C@@H](N[C@H](C)c1ccsc1)c1ccccc1 536833636 QCLLMZMZLNWGQG-RHSMWYFYSA-N 271.429 5.106 30 20 CKED CCC[C@H](N[C@H](CC)c1ccc(C#N)cc1)c1ccccc1 447510975 RHMQWVXUFCSDLY-UXHICEINSA-N 292.426 5.140 30 20 CKED C[C@H](CCc1ccccc1)SCCCC(C)(C)C#N 480383408 GKAIGERHQBWADP-OAHLLOKOSA-N 275.461 5.071 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C/C(=C/C)CC 789890488 RORAGKRZEYAHPD-PTFWUCJTSA-N 297.442 5.390 30 20 CKED Cc1cccc(CNc2ccccc2S[C@H](C)CC#N)c1 66861408 CHMLMNCREGUUTN-OAHLLOKOSA-N 296.439 5.001 30 20 CKED C[C@H](Nc1ccc(C2CCC2)cc1)c1ccc(C#N)c(F)c1 786970864 WOFMGGDTXBTEFI-ZDUSSCGKSA-N 294.373 5.138 30 20 CKED C=CCCCCCCCCCCCCCC(=O)O 38235721 HVODZEXFHPAFHB-UHFFFAOYSA-N 254.414 5.328 30 20 CKED biogenic,in-vitro CC[C@@H](Nc1cccc(SC)c1C)c1ccc(C#N)cc1 447595239 MAYBZMUVNTWYHV-MRXNPFEDSA-N 296.439 5.152 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1CCC[C@@H]1C 476171108 ZDSLLZJLXDUNLM-DOTOQJQBSA-N 299.458 5.303 30 20 CKED C=CC[C@H](N[C@H](CC)c1cc(C)ccc1C)c1ccncc1 858365678 QHWCJXSKKZYNAU-UXHICEINSA-N 294.442 5.057 30 20 CKED CC(C)(C#N)CCCCSCc1cccc2cccnc12 600592648 SELFVFINXDYWKD-UHFFFAOYSA-N 298.455 5.188 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C(/C)C(C)(C)C 789721424 RUFPEVQDIHDRAO-SQFISAMPSA-N 299.458 5.469 30 20 CKED C=CCC[C@H](N[C@@H](C)c1sccc1C)c1ccccc1 540150699 KGZZSZGUFGIVAF-RDJZCZTQSA-N 285.456 5.415 30 20 CKED C=CCC[C@H](NCc1ccc(C(F)F)cc1)c1ccco1 286290561 WMKTUCUCPQAQFW-HNNXBMFYSA-N 291.341 5.014 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC1(C)C 476171105 ZBYWMMZANKAYHU-QGZVFWFLSA-N 299.458 5.303 30 20 CKED CCC[C@H](NCCCCC#N)c1ccc(Cl)cc1Cl 533783536 TUSSSFPQGISKHO-HNNXBMFYSA-N 299.245 5.118 30 20 CKED C[C@@H](S[C@@H](C#N)C1CCCCC1)c1cccs1 737405469 BUEYOOYIEVCVRT-RISCZKNCSA-N 265.447 5.015 30 20 CKED CC#CCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 184867903 KTMDMTLTMJIOMP-UHFFFAOYSA-N 285.431 5.066 30 20 CKED CC(C)CN(CCCCC#N)[C@H](C)c1ccccc1Cl 563901552 COMBPASALBYDLW-OAHLLOKOSA-N 292.854 5.053 30 20 CKED N#Cc1c(Cl)cccc1NCc1csc2ccccc12 603862183 JKMULNUWSVSUPW-UHFFFAOYSA-N 298.798 5.038 30 20 CKED CC(C)(C#N)CCSc1cc(Cl)ccc1Cl 87596229 HUAHTOASVABJKQ-UHFFFAOYSA-N 274.216 5.025 30 20 CKED N#CCSCCCSc1ccc(-c2ccccc2)cc1 466629444 AYUMEBRJLKPVLL-UHFFFAOYSA-N 299.464 5.093 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCCC2 476092951 VAIXKALPTCCZHL-QGZVFWFLSA-N 297.442 5.057 30 20 CKED C[C@H]1C/C(=C/c2nccc3ccccc23)C(=O)c2ccccc21 751534085 BHHFREXRZSSCBJ-DSDLTIFZSA-N 299.373 5.008 30 20 CKED Cc1c(C2CCCCC2)noc1N=C(O)C1CCCCC1 330114242 DQECZDCZXDZPEZ-UHFFFAOYSA-N 290.407 5.199 30 20 CKED CSc1ccc(C(=O)/C=C\c2cc3ccccc3o2)cc1 750901263 DAZWIIOYILCGER-FLIBITNWSA-N 294.375 5.051 30 20 CKED C=CCC[C@H](N[C@H](C)c1ncccc1CC)c1ccccc1 507463498 UDJZDLYPNHSYGK-APWZRJJASA-N 294.442 5.002 30 20 CKED C[C@@H](Sc1ccc(C#N)cc1)c1ccccc1Cl 509648301 HVLKIFDUZOEHQH-LLVKDONJSA-N 273.788 5.065 30 20 CKED Cc1ccc(C)c(NN=Cc2c(Cl)cccc2Cl)c1 916345485 AZKUFRPNSMQZMB-UHFFFAOYSA-N 293.197 5.056 30 20 CKED CC1=CCC[C@H](C)[C@H]1CN[C@@H](CCCC#N)c1ccccc1 556907154 JOUDPXFDVRYFCO-IHPCNDPISA-N 296.458 5.004 30 20 CKED CC(C)[C@@H](NCC(C)(C)CCC#N)c1cc2ccccc2o1 554067272 JNCSJDSYGZLJMD-GOSISDBHSA-N 298.430 5.049 30 20 CKED CC(CSC(C)(C)C)=NNc1cccc2ccccc12 729638953 NZOIUOFQHSRVPP-UHFFFAOYSA-N 286.444 5.159 30 20 CKED C=CCC[C@@H](Nc1ccc(OC)c(Cl)c1)c1ccco1 796859345 NJJHPOAHABFRMX-CQSZACIVSA-N 291.778 5.061 30 20 CKED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccc(Cl)cc1 90664801 BVNIQSNYXYMSLG-KBXCAEBGSA-N 298.817 5.036 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1C=CCCC1 189884986 GZIWCMGJEPDQOR-MRXNPFEDSA-N 297.442 5.223 30 20 CKED O=C(/C=C/c1csc(Cl)c1Cl)c1ccsc1 761479282 YWRHYMADHJYAIY-OWOJBTEDSA-N 289.208 5.013 30 20 CKED CC(C)C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccs1 539494952 XKZBNIIUCUHFTG-YOEHRIQHSA-N 298.455 5.058 30 20 CKED CC1=C[C@H](C)C[C@H](CN[C@@H](CCCC#N)c2ccccc2)C1 561315545 SHLIHOMSKWLPCE-QRFRQXIXSA-N 296.458 5.004 30 20 CKED Cc1cc(N[C@H](C)c2cccc(C#N)c2)cc(C)c1Cl 600846470 GPQVDLQNWIQHKZ-CYBMUJFWSA-N 284.790 5.002 30 20 CKED Cc1cccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c1 340444252 HLUDPZFTTFVXBO-YLJYHZDGSA-N 292.426 5.081 30 20 CKED C[C@@H](SCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 539516288 QOCUNKIJZSPZEG-SECBINFHSA-N 286.227 5.091 30 20 CKED N#CCCC[C@@H](NC1CCCCCCC1)c1ccccc1 814303941 DHVRJWNNAPIFGV-LJQANCHMSA-N 284.447 5.124 30 20 CKED C=CCC[C@H](NCc1ccc(C2CC2)cc1F)c1ccco1 425962738 ZIBICVZGRPEAPD-SFHVURJKSA-N 299.389 5.093 30 20 CKED Cc1ccc([C@@H](C)N(C)CCCCC(C)(C)C#N)c(C)c1 444596287 XXXNSAODCLGZDK-QGZVFWFLSA-N 286.463 5.016 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1ccccc1OC)c1ccccc1 540151392 OSMFSNNUILAOER-QFBILLFUSA-N 295.426 5.053 30 20 CKED N#CCc1ccc(NCc2ccccc2-c2ccccc2)cc1 917397017 LZQPXLJGOOFDSR-UHFFFAOYSA-N 298.389 5.032 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[C@@H](C)CC 189896524 LHBIYQMDCPILGI-GJZGRUSLSA-N 287.447 5.159 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCC[C@@H]1C 424787768 FVKXAXXDVUDIBI-MAUKXSAKSA-N 299.458 5.303 30 20 CKED C[C@H]1C/C(=C/c2cccc3cnccc23)C(=O)c2ccccc21 782889994 PZRTUQZRVCZNLJ-VMOJBDSFSA-N 299.373 5.008 30 20 CKED CC(C)(C#N)CCCCSC/C=C/c1ccccc1 435881996 CWPNRLCJQBRKEM-DHZHZOJOSA-N 273.445 5.153 30 20 CKED C=C(C)C[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 464570455 OMDVAJOCUKBFMI-HNNXBMFYSA-N 295.382 5.020 30 20 CKED C=CCC(CC=C)C(=O)Nc1c(C(C)C)cccc1C(C)C 467828216 JZDONFCDUSEZPD-UHFFFAOYSA-N 299.458 5.640 30 20 CKED N#CCCCCS[C@@H](c1ccccc1)c1ccc(F)cc1 531690523 UJPIAULFMUKKMW-SFHVURJKSA-N 299.414 5.342 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC[C@H](C)CC 560673750 CRZLSWIJAKHRBH-OAHLLOKOSA-N 287.447 5.303 30 20 CKED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1 37272155 SFUWVEREPLNXFH-SCLBCKFNSA-N 298.817 5.014 30 20 CKED CC[C@H](S[C@H](C#N)Cc1ccccc1)c1ccccc1 610708230 SHDITPXAOWZWOA-ROUUACIJSA-N 281.424 5.006 30 20 CKED C=CCCC(CC)=NNc1ccnc2cc(Cl)ccc12 750915755 ANJUXOSOOAEBQY-UHFFFAOYSA-N 287.794 5.032 30 20 CKED CC[C@H](NCCCCC(C)(C)C#N)c1ccc(Cl)cc1 444675074 QPQVNATUPSUQFL-INIZCTEOSA-N 292.854 5.101 30 20 CKED Clc1ccsc1C=NNc1cccc2ccccc12 782218116 AJHOXOSSBZHPMU-UHFFFAOYSA-N 286.787 5.001 30 20 CKED CC(C)(C#N)CCCSCc1ccc(F)cc1Cl 532201544 ITXLSFDABZKDKX-UHFFFAOYSA-N 285.815 5.042 30 20 CKED CCCCCCCCSc1nnc(-c2ccoc2C)o1 915791293 FKSUBESIEGJEFM-UHFFFAOYSA-N 294.420 5.091 30 20 CKED CC[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(C#N)cc1 447519615 YYKYEGKMDCWWMF-FZKQIMNGSA-N 298.817 5.014 30 20 CKED C[C@@H](Sc1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 108720840 OVCAJFAMYUAHFW-SNVBAGLBSA-N 291.778 5.204 30 20 CKED CCc1oc2ccccc2c1C=NNc1cc(C)cc(C)c1 730551497 NLPDJILSHNYTIC-UHFFFAOYSA-N 292.382 5.058 30 20 CKED C[C@@H](SCCCCC(C)(C)C#N)c1cccs1 767062205 RFPOLXXETZCZDV-GFCCVEGCSA-N 267.463 5.262 30 20 CKED CSc1ccc(C(=O)/C=C\c2ccc(Cl)s2)cc1 834769505 NNKXIIVPKLBIES-VURMDHGXSA-N 294.828 5.020 30 20 CKED C=CCc1cccc(C(C)C)c1NCc1ncc(C(C)C)o1 788800398 ZUIUDESVAVBEDP-UHFFFAOYSA-N 298.430 5.262 30 20 CKED C1=CC[C@H](C=NN(Cc2ccccc2)c2ccccc2)CC1 916249854 OHJQPYVACHWUGJ-SFHVURJKSA-N 290.410 5.035 30 20 CKED CC(C)Sc1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1 505589824 HVNOWLOZAKOSDE-CQSZACIVSA-N 296.439 5.232 30 20 CKED C[C@H](Sc1ccc(C#N)cc1)c1ccccc1Cl 509648302 HVLKIFDUZOEHQH-NSHDSACASA-N 273.788 5.065 30 20 CKED CC[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(C#N)cc1 584093185 MEEKLIGGTIGYDN-UGSOOPFHSA-N 298.455 5.039 30 20 CKED O=C(/C=C\c1cc2ccccc2o1)c1cc2ccccc2o1 750896110 NAZXOTGUSYMPEJ-KTKRTIGZSA-N 288.302 5.075 30 20 CKED C=C(C)CCS[C@@H](C)c1ncc(-c2ccccc2)o1 507819734 SWGPYQDELMCBKT-ZDUSSCGKSA-N 273.401 5.102 30 20 CKED CC(C)c1ccc(C(=O)/C=C\c2scnc2C2CC2)cc1 782306644 ORNJMUKYWCYGNS-KTKRTIGZSA-N 297.423 5.040 30 20 CKED C[C@H](S[C@H](C#N)C1CCCCC1)c1ccc(F)cc1 524535057 OKPLQOSCCBAHKP-BLLLJJGKSA-N 277.408 5.092 30 20 CKED CC1=CCC[C@H](C)[C@@H]1CN[C@@H](CCCC#N)c1ccccc1 556907155 JOUDPXFDVRYFCO-SXLOBPIMSA-N 296.458 5.004 30 20 CKED C[C@@H](SCCC(C)(C)C#N)c1ccc(Cl)cc1 610286102 LQWMXRVWKLEWSL-LLVKDONJSA-N 267.825 5.074 30 20 CKED C[C@@H](Nc1ccc(C2CCC2)cc1)c1ccc(C#N)cc1F 494492376 LIXAWKYHZPTHBT-CYBMUJFWSA-N 294.373 5.138 30 20 CKED C=CCC[C@H](N[C@@H](CC)c1ccccc1O)c1ccccc1 775522519 SFCHIVTWBHFNGX-OALUTQOASA-N 295.426 5.140 30 20 CKED CC(CCC(F)(F)F)=NNc1ccc(Cl)c(Cl)c1 783825206 VPEKQCIATMCPBN-UHFFFAOYSA-N 299.123 5.124 30 20 CKED N#CCCCCSCCCc1cccc2ccccc12 480426353 QJKYGKCSDLJSKO-UHFFFAOYSA-N 283.440 5.199 30 20 CKED C=CCC[C@@H](N[C@H]1CCCc2sccc21)c1ccco1 353674292 UJIDXFPPNQOANS-LSDHHAIUSA-N 287.428 5.016 30 20 CKED Cc1cc([C@@H](C)N[C@H](CCC#N)c2ccccc2)c(C)s1 90664613 JOISLJPQVHSGCD-RDTXWAMCSA-N 298.455 5.061 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H](C)C1 189906852 FRKBRQIHIOSGDQ-DOTOQJQBSA-N 299.458 5.303 30 20 CKED CC(C)Oc1cccc(CSCCCC(C)(C)C#N)c1 480366991 UGSYHOHADPTOBV-UHFFFAOYSA-N 291.460 5.037 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC=CC[C@H]1C 283806402 ANWLPTJXNKBLLO-CRAIPNDOSA-N 297.442 5.079 30 20 CKED N#CCCCS[C@H]1CCc2c(Cl)cc(Cl)cc21 479526303 LLFMVCIUXINOSP-ZDUSSCGKSA-N 286.227 5.018 30 20 CKED N#C[C@H](Cc1ccccc1)Sc1ccc2ccccc2c1 604049901 SBLRDRDLWWZTFJ-IBGZPJMESA-N 289.403 5.067 30 20 CKED COc1ccc2cc([C@@H](C)SCCCCC#N)ccc2c1 480425644 NECREKVHHUFKNB-CQSZACIVSA-N 299.439 5.336 30 20 CKED Cc1cc(C)cc(NN=Cc2c(Cl)cccc2Cl)c1 916346425 AMCUAIVXOOPECX-UHFFFAOYSA-N 293.197 5.056 30 20 CKED C=CCC(CC=C)C(=O)Nc1c(CCC)cccc1C(C)C 191539915 QWHRCRJZMDHWBX-UHFFFAOYSA-N 299.458 5.469 30 20 CKED C[C@H](SCCCCC#N)c1cccc2ccccc12 531945610 ZOFVRJZQURNPOX-AWEZNQCLSA-N 269.413 5.328 30 20 CKED C[C@@H](SCc1ccc(Cl)s1)c1ccc(C#N)cc1 735675152 BKWQUURXOYFUMK-SNVBAGLBSA-N 293.844 5.268 30 20 CKED C[C@@H]1/C(=C\c2ccc(C(F)F)cc2)C(=O)c2ccccc21 809155864 HBNIYDKWPCUILI-YAFRSCOQSA-N 284.305 5.008 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)cs1 296044221 ARPFSSYIZKGTHC-UHFFFAOYSA-N 299.439 5.161 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1ccc(C)nc1C)c1ccccc1 678602112 AAZKEJRJKANJGG-FXAWDEMLSA-N 294.442 5.057 30 20 CKED C=CCCCCCN(C)C(=O)Nc1ccc2ccccc2c1 740428465 VYHMEYFQJOSDPZ-UHFFFAOYSA-N 296.414 5.050 30 20 CKED CCCCCCCC(=O)N1CC(C)(C)[C@H]1c1cccs1 807727900 YJVSWYPBGMARBE-MRXNPFEDSA-N 293.476 5.018 30 20 CKED C/C(=N\c1cccc2ccccc12)c1cc(Cl)ccc1O 16671065 NBGBHKXEZDPSMY-UDWIEESQSA-N 295.769 5.340 30 20 CKED C=CCC[C@H](N[C@H](C)c1sccc1C)c1ccccc1 540150700 KGZZSZGUFGIVAF-WBVHZDCISA-N 285.456 5.415 30 20 CKED C=CCC[C@H](N[C@H](C)c1ccc(C)cc1O)c1ccccc1 756758143 FSDVBFCSZTXGDL-APWZRJJASA-N 295.426 5.059 30 20 CKED CC(C)(CCC#N)CNc1ccc(SC(C)(C)C)cc1 770556948 BETSCXLRPSSVFY-UHFFFAOYSA-N 290.476 5.319 30 20 CKED C[C@H](Nc1cccc(F)c1C#N)c1cccc2ccccc12 26227164 DGRVFBRKMMPKFM-ZDUSSCGKSA-N 290.341 5.024 30 20 CKED CCCCCCCC(=O)Nc1c(CC)cccc1CC 106106108 XLYHKORWPIUGKS-UHFFFAOYSA-N 275.436 5.110 30 20 CKED CC(C)(C#N)CCCCN(Cc1ccccc1)C(C)(C)C 444651162 OCYRRZPGORSEND-UHFFFAOYSA-N 286.463 5.007 30 20 CKED C[C@H](S[C@H](C)c1ccc(C#N)cc1)c1cccc(F)c1 609825583 GTMVGZAVGRTCGD-OLZOCXBDSA-N 285.387 5.253 30 20 CKED CCCCCCCCCCn1ccc(=O)c2sccc21 742452979 HWEFJHPAXVMJGO-UHFFFAOYSA-N 291.460 5.204 30 20 CKED CC(C)(C#N)CCCNc1cccc(-c2cccs2)c1 532413569 FSIOBDFXCMTRQL-UHFFFAOYSA-N 284.428 5.157 30 20 CKED O=C(/C=C\c1ccc(C(F)F)cc1)c1cc2ccccc2o1 794931490 MOMBGGWVPBAVAH-YFHOEESVSA-N 298.288 5.267 30 20 CKED C/C=C/c1ccc(NCc2ccccc2C(C)(C)C#N)cc1 564198831 FRGFPCGFOVJMOO-QPJJXVBHSA-N 290.410 5.133 30 20 CKED CC(C)(C)Sc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)cc1 765921260 SDWQCRIJIVBGHF-UKRRQHHQSA-N 288.460 5.071 30 20 CKED C[C@H](C=NOc1ccccc1C(F)(F)F)C1CCCCC1 814888116 QBHWDQVOLVFXOG-GFCCVEGCSA-N 299.336 5.286 30 20 CKED CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccs1 340440401 CIDYABHDTMJAJH-DLBZAZTESA-N 298.455 5.224 30 20 CKED C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cc2ccccc2o1 37393195 SIRHWQFOTWSBQH-LLVKDONJSA-N 296.757 5.131 30 20 CKED O=C(/C=C/c1ccc(C(F)F)cc1)c1c[nH]c2ccccc12 794937826 KNSDHEKARWECSU-JXMROGBWSA-N 297.304 5.002 30 20 CKED C=CC[C@H](N[C@@H](CC)c1ccc(CC)cc1)c1ccncc1 766018080 FVMNTLONEMJHCK-PMACEKPBSA-N 294.442 5.002 30 20 CKED Cc1ccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 340444750 JDPJWRKBKSAMPJ-XLIONFOSSA-N 292.426 5.081 30 20 CKED CC[C@@H](NCCCCC(C)(C)C#N)c1ccc(Cl)cc1 444675075 QPQVNATUPSUQFL-MRXNPFEDSA-N 292.854 5.101 30 20 CKED CCCCCCCCCCCCCC=CC(=O)O 1857777055 ZVRMGCSSSYZGSM-UHFFFAOYSA-N 254.414 5.328 30 20 CKED CC(C)(C#N)CCCNc1ccccc1Oc1ccccc1 303883168 OPSAYDCHGVPAAF-UHFFFAOYSA-N 294.398 5.221 30 20 CKED C[C@H]1C/C(=C\c2nccc3ccccc23)C(=O)c2ccccc21 751534083 BHHFREXRZSSCBJ-BXWAGETQSA-N 299.373 5.008 30 20 CKED C=CCC[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1ccco1 552260755 PSGDFBROCWZWKI-MSOLQXFVSA-N 299.389 5.093 30 20 CKED Cc1c([C@H](C)NCCCCC(C)(C)C#N)oc2ccccc12 444689075 MCIKCBZMHSQPCG-HNNXBMFYSA-N 298.430 5.112 30 20 CKED CC(C)c1ccc([C@H](C)Nc2ccc(CC#N)cc2)cc1 37071398 PLXDCFFCPZPQDF-HNNXBMFYSA-N 278.399 5.049 30 20 CKED C[C@H](Nc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 37199666 JOFRCPZXFMCMIS-JTQLQIEISA-N 291.181 5.038 30 20 CKED O=C(/C=C\c1cccnc1)c1ccc(C2CCCCC2)cc1 96766605 YVWSJQBXLWYOIW-JYRVWZFOSA-N 291.394 5.025 30 20 CKED C[C@@H](Sc1cccc(Cl)c1)c1ccc(C#N)cc1 303648920 APNUIYMKEWXDDH-LLVKDONJSA-N 273.788 5.065 30 20 CKED C[C@@H](CCC(C)(C)C)N[C@@H](CCCC#N)c1ccccc1 556205136 LOGSZWBGMDZUJA-WMZOPIPTSA-N 286.463 5.226 30 20 CKED C#Cc1ccc(-c2ccc(-c3cccs3)s2)s1 196282825 DRTMAABDTLTKNP-UHFFFAOYSA-N 272.419 5.186 30 20 CKED C[C@@H](Nc1cccc(F)c1C#N)c1cccc2ccccc12 26227162 DGRVFBRKMMPKFM-CYBMUJFWSA-N 290.341 5.024 30 20 CKED C[C@H](SCCCCC(C)(C)C#N)c1ccccc1 435879798 FIIXOOQZVLJXAG-AWEZNQCLSA-N 261.434 5.201 30 20 CKED CC(C)(C#N)CCCCSCc1cccc(C(F)F)c1 479624299 DEBIJUYARJBFRC-UHFFFAOYSA-N 297.414 5.577 30 20 CKED C=CCC[C@H](N[C@@H](C)c1cc(C)ccc1O)c1ccccc1 756763028 XHWYTUGGWJPXRE-LPHOPBHVSA-N 295.426 5.059 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C(/C)CCC 789718069 DSUZASPHVLQQRW-SQFISAMPSA-N 285.431 5.223 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)CCC 189900569 CMAKDCDPBHHXQB-OAHLLOKOSA-N 287.447 5.303 30 20 CKED CC[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 414194184 XRAUXEWBJOKDSS-ACJLOTCBSA-N 298.817 5.014 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC(C)(C)C1CC1 506046137 RAKOZWZFVKHLCE-UHFFFAOYSA-N 299.458 5.303 30 20 CKED C[C@H](Sc1ccc(Cl)cc1)c1ccc(C#N)cc1 303735104 WQTAGWURCJALOS-NSHDSACASA-N 273.788 5.065 30 20 CKED N#Cc1c(Cl)cccc1NCc1cc2ccccc2s1 583709885 WPRNEEMTVFBBTG-UHFFFAOYSA-N 298.798 5.038 30 20 CKED Cc1ccccc1CNc1ccccc1S[C@H](C)CC#N 66861060 PUWMQPOICODKGK-OAHLLOKOSA-N 296.439 5.001 30 20 CKED C[C@@H](NC1CCC(C)(C#N)CC1)c1csc2ccccc12 823789971 UEHJEPRYWKVRJN-WRSVWVKZSA-N 298.455 5.024 30 20 CKED Cc1cc(C)c(N[C@@H](C)c2cccc(C#N)c2)c(Cl)c1 600849228 LNODXUKAQJLWAG-ZDUSSCGKSA-N 284.790 5.002 30 20 CKED O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1ccsc1 749101742 JUXCPQRRXRMQHI-FNORWQNLSA-N 298.338 5.043 30 20 CKED C[C@H](SCCCC(C)(C)C#N)c1ccc(F)c(F)c1 480427900 XGSZEVFSYYMQNT-NSHDSACASA-N 283.387 5.089 30 20 CKED CC(C)C[C@H](NCCCCC(C)(C)C#N)c1cccs1 444668685 CVTDPFISDLGBFR-HNNXBMFYSA-N 292.492 5.145 30 20 CKED O=C(/C=C/c1cccc(F)c1)c1cccc(Cl)c1Cl 734981036 MIEBTUCKYWONAE-BQYQJAHWSA-N 295.140 5.029 30 20 CKED C[C@@H]1/C(=C/c2ccc(C(F)F)cc2)C(=O)c2ccccc21 809155863 HBNIYDKWPCUILI-OKHBPPCESA-N 284.305 5.008 30 20 CKED CCCCCCCCCCCN(C)[C@@H](CCCC)C(=O)O 1776784565 HMFMFJCCXHAEQT-KRWDZBQOSA-N 299.499 5.092 30 20 CKED C[C@H](CCC(C)(C)C)N[C@@H](CCCC#N)c1ccccc1 556205131 LOGSZWBGMDZUJA-AEFFLSMTSA-N 286.463 5.226 30 20 CKED C=CCCc1ccccc1NC(=O)c1cccc(C)c1Cl 410345123 OUFMMQDSKVZSDO-UHFFFAOYSA-N 299.801 5.019 30 20 CKED C=C(C)C[C@@H](C)C(=O)Nc1c(CC)ccc(Cl)c1CC 464543576 AWGMBDAMZJKVDQ-GFCCVEGCSA-N 293.838 5.006 30 20 CKED Cc1ccc(C)c(NN=CC2CCC(C(F)(F)F)CC2)c1 767368897 XXHAWSNLUHVDDP-UHFFFAOYSA-N 298.352 5.070 30 20 CKED O=C(/C=C/c1ccsc1)c1cc2cc(Cl)ccc2o1 16393652 QAYFVUUNFZUMTK-HNQUOIGGSA-N 288.755 5.044 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@]1(C)C(C)C 189902511 KTBPCBCLLJJOPX-PXNSSMCTSA-N 299.458 5.159 30 20 CKED CCN(CC(C)(C)CCC#N)[C@H](C)c1cc2ccccc2o1 511897894 VIIDCQBWLXQGJT-OAHLLOKOSA-N 298.430 5.146 30 20 CKED O=C(/C=C/c1cc2ccccc2o1)c1ccc(Cl)s1 750895790 JJIPCGONDQBDHW-AATRIKPKSA-N 288.755 5.044 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC[C@@H](C)CC 560673741 CRZLSWIJAKHRBH-HNNXBMFYSA-N 287.447 5.303 30 20 CKED CC1(C=NOc2ccccc2C(F)(F)F)CCCCCC1 779786575 ZTNGROUMMXGCRN-UHFFFAOYSA-N 299.336 5.431 30 20 CKED CC(C)(C#N)CCCCSc1nc2ccccc2s1 232525840 KRDNBMBYUSUGSE-UHFFFAOYSA-N 290.457 5.108 30 20 CKED CC(C)(C#N)CCCCOc1c(Cl)cccc1Cl 232518350 RNKNJYWWOGGVJU-UHFFFAOYSA-N 286.202 5.092 30 20 CKED CCN(CCCC(C)(C)C#N)[C@H](C)c1cc2ccccc2o1 472440258 XBCWCEAYEURCPB-OAHLLOKOSA-N 298.430 5.146 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC(C)(C)CC 476124635 ZZIROYKQOZAAMO-UHFFFAOYSA-N 287.447 5.303 30 20 CKED O=C(/C=C\c1cc(-c2ccccc2)cs1)c1cccs1 48625038 ARQHJRPIKIAADH-HJWRWDBZSA-N 296.416 5.373 30 20 CKED C[C@H](Nc1cccc(F)c1C#N)c1csc2ccccc12 729985733 AUOCLMNTGRZFPU-NSHDSACASA-N 296.370 5.085 30 20 CKED N#C[C@@H](Cc1ccccc1)Sc1ccc2ccccc2c1 604049902 SBLRDRDLWWZTFJ-LJQANCHMSA-N 289.403 5.067 30 20 CKED O=C1/C(=C\c2csc3ccccc23)CCc2sccc21 726893337 PXXLLALUVZPZDV-LUAWRHEFSA-N 296.416 5.175 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[C@H]1CC 451339229 ZVUXCXHVIQRBNA-QAPCUYQASA-N 299.458 5.303 30 20 CKED CC[C@H](N[C@H](CC)c1ccc(C)cc1)c1ccc(C#N)cc1 447511587 UQFYIQLZJBJPJZ-UXHICEINSA-N 292.426 5.059 30 20 CKED CC[C@@H](Nc1ccc(C)c(Cl)c1)c1ccc(C#N)cc1 863988431 PIQTWUGRQBVIPI-QGZVFWFLSA-N 284.790 5.083 30 20 CKED C[C@H](Nc1ccccc1C(C)(C)C)c1cccc(C#N)c1 37278655 GZUZGEMAHQRBGG-AWEZNQCLSA-N 278.399 5.029 30 20 CKED CC[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccsc1 453235941 JSPGYNCIRGVFIK-QZTJIDSGSA-N 298.455 5.224 30 20 CKED C=CCC[C@@H](N[C@H](C)c1sccc1C)c1ccccc1 540150698 KGZZSZGUFGIVAF-NVXWUHKLSA-N 285.456 5.415 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CCC1CCCC1 476170801 XTLGRNCXIFZIEK-UHFFFAOYSA-N 299.458 5.447 30 20 CKED CC1=C[C@@H](C)C[C@H](C=NOc2ccccc2C(F)(F)F)C1 789635878 DMKMMTKGIAYEMN-YPMHNXCESA-N 297.320 5.062 30 20 CKED CSc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1 7741679 FYVUXJVLHKBKSI-QPJJXVBHSA-N 294.828 5.020 30 20 CKED CC(C)(C#N)CCCCSCCCCC(F)(F)F 435888618 JHCLAILNPCZSKB-UHFFFAOYSA-N 281.387 5.172 30 20 CKED CC(C)(C#N)CCCSCc1c(F)cccc1Cl 466754021 RQEUYDTXHVWRSJ-UHFFFAOYSA-N 285.815 5.042 30 20 CKED CC(=NNc1c(C)cccc1C(C)C)c1coc(C(C)C)n1 812233459 YHCFISHSIXWXEK-UHFFFAOYSA-N 299.418 5.066 30 20 CKED CCCCCCCCCN(C)C(=S)Nc1ccccc1 918722344 FJKAXDROCRLMQX-UHFFFAOYSA-N 292.492 5.066 30 20 CKED CCC[C@H](NCCCCC#N)c1ccc(Cl)c(Cl)c1 531704740 JKLHWIITIDUKQL-HNNXBMFYSA-N 299.245 5.118 30 20 CKED C[C@@H](C=NOc1ccccc1C(F)(F)F)C1CCCCC1 814888120 QBHWDQVOLVFXOG-LBPRGKRZSA-N 299.336 5.286 30 20 CKED C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 19231333 KDUVHIHDWNWGPF-CQSZACIVSA-N 278.399 5.029 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C(\C)CCC 789718064 DSUZASPHVLQQRW-FYWRMAATSA-N 285.431 5.223 30 20 CKED CCCCN(CC(C)(C)CCC#N)[C@@H](C)c1ccc(C)o1 611258123 VZESNUUETOFOTP-INIZCTEOSA-N 290.451 5.081 30 20 CKED C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(Cl)c1 90665383 GMYUCKFGHZYURE-KBXCAEBGSA-N 298.817 5.036 30 20 CKED C=CCCc1ccccc1NC(=O)c1sccc1C(C)C 410366645 MFWWMRAVNUBZMN-UHFFFAOYSA-N 299.439 5.242 30 20 CKED Cc1ccccc1[C@H](CC(C)C)NCCCC(C)(C)C#N 540358794 LUONMMZLQHNHOQ-SFHVURJKSA-N 286.463 5.002 30 20 CKED CC(=NNc1ccc(C)cc1)c1cc(Cl)sc1Cl 744544058 BSGMIQUSSOTNQP-UHFFFAOYSA-N 299.226 5.199 30 20 CKED C=CC[C@@H](N[C@@H](C)c1cccc(C(C)C)c1)c1ccncc1 858365785 ROSIDOUPFOBKDV-OXJNMPFZSA-N 294.442 5.173 30 20 CKED CC(C)Sc1ccccc1N[C@H](C)c1cccc(C#N)c1 611476076 UBVSWIBAIJNVOT-CQSZACIVSA-N 296.439 5.232 30 20 CKED CC[C@H](N[C@@H](CCC#N)c1ccccc1)c1ccc(C)cc1 90665589 UKDDKDFPXDYJGN-PMACEKPBSA-N 292.426 5.081 30 20 CKED C[C@@H](CCC#N)S[C@H](c1ccccc1)c1ccc(F)cc1 549199186 GDSCTHUEYYXVPV-KBXCAEBGSA-N 299.414 5.341 30 20 CKED O=C(/C=C/c1ccc(-c2ccccc2F)o1)c1cccs1 40145032 OAXDQWVXAHQEPQ-VQHVLOKHSA-N 298.338 5.043 30 20 CKED C[C@H](NCCCCC(C)(C)C#N)c1cccc2ccccc12 444684161 IJOUXRBINDQBBT-INIZCTEOSA-N 294.442 5.210 30 20 CKED CCC(CC)[C@@H](NCCCC(C)(C)C#N)c1ccccc1 539250901 GOAQTVQZGHYUNR-GOSISDBHSA-N 286.463 5.083 30 20 CKED CCC(CC)[C@H](NCCCC(C)(C)C#N)c1ccccc1 539250903 GOAQTVQZGHYUNR-SFHVURJKSA-N 286.463 5.083 30 20 CKED CCCCCCCCC(=O)N(C1CC1)[C@H](C)c1ccco1 919860156 XKQGKLFCMFFUQI-OAHLLOKOSA-N 291.435 5.082 30 20 CKED N#CCCCCSCc1ccc(-c2ccsc2)cc1 435896157 CLHVCQCULZTOAL-UHFFFAOYSA-N 287.453 5.342 30 20 CKED C=CCC[C@H](N[C@@H](C)c1ccccc1)c1ccccc1 557282730 UWCVKLQORNCKCN-LPHOPBHVSA-N 265.400 5.045 30 20 CKED CC(=NNc1cccc2ccccc12)c1sccc1C 733747072 JDGXACRJGUHIOD-UHFFFAOYSA-N 280.396 5.046 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[C@@H]1CC 451339231 ZVUXCXHVIQRBNA-YJBOKZPZSA-N 299.458 5.303 30 20 CKED C[C@H](Nc1ccc(Cl)cc1C#N)c1cc2ccccc2o1 511871635 DYIVWCYGGSBHDF-NSHDSACASA-N 296.757 5.131 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CCCCCC 789720124 UVBLESNHFKRJDI-UHFFFAOYSA-N 287.447 5.447 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CCC[C@H]1C 476171111 ZDSLLZJLXDUNLM-WBVHZDCISA-N 299.458 5.303 30 20 CKED C=CCCc1ccccc1NC(=O)Nc1cccc(C)c1C 505001317 RKCJIDKGFQBKCT-UHFFFAOYSA-N 294.398 5.066 30 20 CKED C=CCC[C@@H](Nc1ccc(Cl)c(OC)c1)c1ccco1 552277660 CJRVRLCMKBLMFB-CQSZACIVSA-N 291.778 5.061 30 20 CKED CC(C)(C#N)CCSC(c1ccccc1)c1ccccc1 463044625 POJBMCQTYRATJZ-UHFFFAOYSA-N 295.451 5.449 30 20 CKED CC(C)(CCC#N)CNc1ccccc1Cc1ccccc1 317638580 WODLWEOYMHCQDF-UHFFFAOYSA-N 292.426 5.019 30 20 CKED C[C@H](NC1CCC(C)(C#N)CC1)c1cc2ccccc2s1 449131683 OTJCRWHNWVKETH-UQHVZDHRSA-N 298.455 5.024 30 20 CKED Cc1ccccc1[C@@H](CC(C)C)NCCCC(C)(C)C#N 540358789 LUONMMZLQHNHOQ-GOSISDBHSA-N 286.463 5.002 30 20 CKED C[C@H](Sc1ccccc1C#N)c1ccccc1Cl 604433052 ASWULXVGTUYNSO-NSHDSACASA-N 273.788 5.065 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCC[C@H]1C 424787769 FVKXAXXDVUDIBI-QAPCUYQASA-N 299.458 5.303 30 20 CKED CCC[C@@H](NCCCCC#N)c1ccc(Cl)cc1Cl 533783537 TUSSSFPQGISKHO-OAHLLOKOSA-N 299.245 5.118 30 20 CKED C=CCC[C@H](N[C@H](C)c1ccc(OC)cc1)c1ccccc1 536841861 XBRXTFKXLSALFE-UZLBHIALSA-N 295.426 5.053 30 20 CKED C=CCC[C@@H](NCc1oc2ccccc2c1C)c1ccco1 563260941 AUOYXIHQCQZACI-MRXNPFEDSA-N 295.382 5.131 30 20 CKED C[C@@H](Nc1cccc(-c2ccccc2)c1)c1cccc(C#N)c1 600852954 BCVQWNBNRANIQK-MRXNPFEDSA-N 298.389 5.398 30 20 CKED CC(C)c1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1 195613876 LWUIWWSTDVMDOV-CVEARBPZSA-N 292.426 5.093 30 20 CKED CC(C)c1c(CC#N)nc2ccccc2c1-c1ccccc1 522439882 NFBIXSOAJFRVFO-UHFFFAOYSA-N 286.378 5.091 30 20 CKED C[C@H](CC#N)Sc1ccccc1NCC1CCCCC1 487358527 BWKZQDJQOUDGBT-CQSZACIVSA-N 288.460 5.073 30 20 CKED Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c2ccccc2c1 600850587 DJNWDBWDAWCNTN-HNNXBMFYSA-N 286.378 5.193 30 20 CKED CC[C@H](N[C@H](C)c1ccccc1Cl)c1ccc(C#N)cc1 447519614 YYKYEGKMDCWWMF-ACJLOTCBSA-N 298.817 5.014 30 20 CKED C[C@@H](SCCCCC#N)c1ccc2ccccc2c1 480389510 PSHCLJSZPUXVMO-CQSZACIVSA-N 269.413 5.328 30 20 CKED C[C@H](SCCCCC(F)(F)F)c1ccc(C#N)cc1 507604337 XRIFQZURZSYUES-NSHDSACASA-N 287.350 5.085 30 20 CKED C#CCCCCC(=O)Nc1ccc(C(C)C)cc1C(C)C 773231970 JDHJEVFICOZXHX-UHFFFAOYSA-N 285.431 5.066 30 20 CKED C=CCC[C@H](NCCCCC(C)(C)C#N)c1ccccc1 444673731 IPNLGHKSQNPEGX-SFHVURJKSA-N 284.447 5.004 30 20 CKED C[C@H](Nc1ccc(F)cc1C#N)c1csc2ccccc12 742403988 KZCHHPRIZDJHQF-NSHDSACASA-N 296.370 5.085 30 20 CKED CSc1ccc(C(=O)/C=C/c2ccsc2)c(Cl)c1 765613310 JDCOYVYVIXBPIW-GORDUTHDSA-N 294.828 5.020 30 20 CKED CC1=CCC[C@H](C)[C@H]1C=NOc1ccccc1C(F)(F)F 773207783 KJRIXRNCCVHQIE-STQMWFEESA-N 297.320 5.062 30 20 CKED C=CCC(CC=C)C(=O)Nc1ccccc1-c1cccs1 122015823 ODGNKYCFQVXZLH-UHFFFAOYSA-N 297.423 5.122 30 20 CKED C=CCC[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccc1 536841832 XBRXTFKXLSALFE-JXFKEZNVSA-N 295.426 5.053 30 20 CKED C[C@H](Nc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 37188224 AUURSPGYVJZGFB-JTQLQIEISA-N 291.181 5.038 30 20 CKED C#Cc1ccc2c3cccc4cccc(c5cccc1c52)c43 96347529 VOVKFLKDPQAQIR-UHFFFAOYSA-N 276.338 5.719 30 20 CKED C[C@@H]1C/C(=C/c2cccc3cnccc23)C(=O)c2ccccc21 782889992 PZRTUQZRVCZNLJ-MTOJCTJASA-N 299.373 5.008 30 20 CKED C=CC[C@H](C)NC(=O)Nc1c(C(C)C)cccc1C(C)C 116996322 NFICDTKXPMYSSI-AWEZNQCLSA-N 288.435 5.020 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@]1(C)C(C)C 189902529 KTBPCBCLLJJOPX-XLIONFOSSA-N 299.458 5.159 30 20 CKED CCCCCCCC(=O)N1CCCCC[C@@H]1c1ccco1 736526912 UBNGRKREZWOZTG-MRXNPFEDSA-N 291.435 5.084 30 20 CKED O=C(/C=C/c1cccc2ccccc12)c1cc(F)ccc1F 7717553 OXKGKTOFCJTDTH-DHZHZOJOSA-N 294.300 5.014 30 20 CKED FC(F)(F)c1ccccc1ON=CCC1CCCCC1 814888301 VGWPKAGTBGEGSW-UHFFFAOYSA-N 285.309 5.040 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1cscc1C 189895362 JUQUOMUWTFFEQU-UHFFFAOYSA-N 299.439 5.161 30 20 CKED C[C@H](S[C@H](C)c1ccc(F)cc1)c1ccc(C#N)cc1 609813807 UDFJTSDDVHQMHD-QWHCGFSZSA-N 285.387 5.253 30 20 CKED C[C@H](S[C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1 609813806 UDFJTSDDVHQMHD-OLZOCXBDSA-N 285.387 5.253 30 20 CKED CCCCCCCC[C@@H](C)CC(=O)Nc1c(C)noc1C 775154481 FLDDHKHTHVWWGA-CYBMUJFWSA-N 294.439 5.007 30 20 CKED CCCCCCCC(=O)N1CCCCC[C@H]1c1ccco1 736526911 UBNGRKREZWOZTG-INIZCTEOSA-N 291.435 5.084 30 20 CKED Cc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)s1 164509893 OITHKKXSLPMQLP-ZHACJKMWSA-N 278.376 5.106 30 20 CKED CC[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C)c1 353633140 RPNAEZAFZZQAAW-VQTJNVASSA-N 292.426 5.081 30 20 CKED Cc1cc(C(=O)/C=C\c2cc3ccccc3o2)c(C)s1 750902052 UXEZJBSIEUQZBO-FPLPWBNLSA-N 282.364 5.007 30 20 CKED C=CCC(F)(F)C(=O)Nc1c(C(C)C)cccc1C(C)C 815079132 NQGYVFQSSDKJMV-UHFFFAOYSA-N 295.373 5.083 30 20 CKED C=CC[C@H](N[C@H](C)c1ccc(CCC)cc1)c1ccncc1 766017413 BQOOEKACFOTQIU-UZLBHIALSA-N 294.442 5.002 30 20 CKED C=CC[C@H](N[C@@H](C)c1cccc(C(C)C)c1)c1ccncc1 858365783 ROSIDOUPFOBKDV-JXFKEZNVSA-N 294.442 5.173 30 20 CKED CC(C)(C#N)CCCCN[C@@H]1CCCC[C@H]1c1ccccc1 444686118 RFFWAZZRQBHBCA-RBUKOAKNSA-N 298.474 5.022 30 20 CKED C[C@@H](Nc1cccc2ccsc12)c1ccc(C#N)c(F)c1 777710711 YXMNFBNQZKKUQV-LLVKDONJSA-N 296.370 5.085 30 20 CKED CC(C)c1ccc([C@@H](C)Nc2ccc(CC#N)cc2)cc1 37071397 PLXDCFFCPZPQDF-OAHLLOKOSA-N 278.399 5.049 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C=C)CC 935606405 LOZNHLQFYZACTJ-OAHLLOKOSA-N 285.431 5.079 30 20 CKED CC(C)N(CCCCC(C)(C)C#N)[C@@H](C)c1ccsc1 421008951 MPHRSUXMSFGVCQ-HNNXBMFYSA-N 292.492 5.240 30 20 CKED C[C@H](Nc1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 390462079 HALMGRZRXUUCKD-INIZCTEOSA-N 298.389 5.398 30 20 CKED C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(C(C)(C)C)cc1 315601606 TZZNFJKHQYRWSQ-OAHLLOKOSA-N 292.426 5.223 30 20 CKED C[C@H](S[C@H](C#N)C1CCCCC1)c1cccs1 737405472 BUEYOOYIEVCVRT-SMDDNHRTSA-N 265.447 5.015 30 20 CKED C=CCC[C@@H](Nc1ccc(CSC)cc1)c1ccco1 563904430 XINHSIIEBWVGTM-MRXNPFEDSA-N 287.428 5.262 30 20 CKED CC(C)(C)CCCCCCCCCCCCS 5138227 KZIYAWAYDPPPIU-UHFFFAOYSA-N 258.515 6.253 30 20 CKED biogenic C[C@H](S[C@H](C)c1ccc(C#N)cc1)c1ccccc1F 522839732 GEVCYVHQCAUBJE-OLZOCXBDSA-N 285.387 5.253 30 20 CKED CC[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccsc1 453235943 JSPGYNCIRGVFIK-ZWKOTPCHSA-N 298.455 5.224 30 20 CKED C[C@H]1C/C(=C/c2ccc3cnccc3c2)C(=O)c2ccccc21 782348870 VDLRVDJQERQRMZ-HIXWQLQUSA-N 299.373 5.008 30 20 CKED O=C(/C=C/c1ccsc1)c1cc(Cl)sc1Cl 18065578 ROFTZPBCCRPCRQ-OWOJBTEDSA-N 289.208 5.013 30 20 CKED C=CCC[C@H](N[C@@H]1CCSc2ccccc21)c1ccco1 513697626 PWVHQRRIIMINNT-CVEARBPZSA-N 299.439 5.114 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C1=CC[C@H](C)CC1 456033216 VQEPJOKDURGLIA-HNNXBMFYSA-N 297.442 5.223 30 20 CKED C[C@H](CCC#N)Sc1ccc(Cl)c(C(F)(F)F)c1 470451651 KICILPBGONJUGB-MRVPVSSYSA-N 293.741 5.143 30 20 CKED C=CCC[C@@H](N[C@H](C)c1cc(C)ccc1O)c1ccccc1 756763030 XHWYTUGGWJPXRE-VQIMIIECSA-N 295.426 5.059 30 20 CKED Cc1ccc(Cl)c(N[C@H](C)c2cccc(C#N)c2)c1C 600853842 GZPPXJFEIHJESM-CYBMUJFWSA-N 284.790 5.002 30 20 CKED N#CCC[C@H](C#N)CSc1ccc(C2CCCCC2)cc1 603841148 KPMMRAKKIWFQDG-OAHLLOKOSA-N 298.455 5.270 30 20 CKED CCCCCCC=NOc1ccccc1C(F)(F)F 755815333 HBOMIDLBAXKMQR-UHFFFAOYSA-N 273.298 5.040 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC1CCCCC1 476122697 SJYZINBZZMABKM-UHFFFAOYSA-N 299.458 5.447 30 20 CKED N#CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1 237835517 BLTLWMUMOITMIF-UHFFFAOYSA-N 298.389 5.032 30 20 CKED C=CCCc1ccccc1NC(=O)c1ccc(Cl)cc1C 410352601 PHLPFZHCPCGTRR-UHFFFAOYSA-N 299.801 5.019 30 20 CKED Cc1cc(C(=O)/C=C/c2cc3ccccc3o2)c(C)s1 750902044 UXEZJBSIEUQZBO-BQYQJAHWSA-N 282.364 5.007 30 20 CKED C=CCCCSCc1csc(-c2cccs2)n1 609803972 QZZZFVCBJRMCGG-UHFFFAOYSA-N 281.471 5.071 30 20 CKED C=CC[C@@H](N[C@@H](CC)c1cc(C)ccc1C)c1ccncc1 858365679 QHWCJXSKKZYNAU-VQTJNVASSA-N 294.442 5.057 30 20 CKED CC(C)(C#N)CCSC/C=C\c1ccc(Cl)cc1 554716326 MJPTYXZIQHQTAQ-ARJAWSKDSA-N 279.836 5.026 30 20 CKED Cc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)cc1 340444749 JDPJWRKBKSAMPJ-PXNSSMCTSA-N 292.426 5.081 30 20 CKED Cc1ccsc1/C=C/C(=O)c1oc2ccccc2c1C 747138755 ICUIROAPZYPUMY-BQYQJAHWSA-N 282.364 5.007 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C1\CC[C@@H](C)C1 789720660 WQBDGRLKGROHTC-WTNDLDAUSA-N 297.442 5.223 30 20 CKED C[C@@H](CCSc1ccccc1)SCCC(C)(C)C#N 515248029 LCBOUTYJMGADFF-AWEZNQCLSA-N 293.501 5.230 30 20 CKED CC(C)Sc1ccccc1N[C@@H](C)c1cccc(C#N)c1 611476075 UBVSWIBAIJNVOT-AWEZNQCLSA-N 296.439 5.232 30 20 CKED CSc1ccc(C(=O)/C=C/c2cc3ccccc3o2)cc1 750901259 DAZWIIOYILCGER-DHZHZOJOSA-N 294.375 5.051 30 20 CKED C=CC[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1ccncc1 766023422 UPRCYSDVYMTLHN-JXFKEZNVSA-N 294.442 5.173 30 20 CKED C=CCC[C@@H](NCc1ccc2sccc2c1)c1ccco1 582934341 KRCVIKIEIFNLJX-MRXNPFEDSA-N 297.423 5.291 30 20 CKED Cc1ccccc1[C@@H](C)N[C@H](CCCC#N)c1ccccc1 340449752 WQRHNILMLCLOGK-YLJYHZDGSA-N 292.426 5.081 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@]1(C)C(C)C 189902547 KTBPCBCLLJJOPX-FXAWDEMLSA-N 299.458 5.159 30 20 CKED O=C(/C=C/c1ccc(C(F)F)cc1)c1csc(Cl)c1 794945320 ZOEYIJZGSSHEOT-ZZXKWVIFSA-N 298.741 5.235 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)[C@@H](C)CC 189896488 LHBIYQMDCPILGI-LSDHHAIUSA-N 287.447 5.159 30 20 CKED Cc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 340444747 JDPJWRKBKSAMPJ-FXAWDEMLSA-N 292.426 5.081 30 20 CKED C[C@H](SCC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 539516289 QOCUNKIJZSPZEG-VIFPVBQESA-N 286.227 5.091 30 20 CKED CC1(C)CCC(C=NOc2ccccc2C(F)(F)F)CC1 754722410 DUDSGHJPCPZWCW-UHFFFAOYSA-N 299.336 5.286 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C/C(C)(C)C 789718297 GBJNDPAQFZXWKQ-OUKQBFOZSA-N 285.431 5.079 30 20 CKED C=CCC[C@@H](N[C@@H]1CCCc2sccc21)c1ccco1 353674290 UJIDXFPPNQOANS-HUUCEWRRSA-N 287.428 5.016 30 20 CKED CC(C)(C#N)CCCNc1cccc(-c2ccccc2)c1 431075328 CXYDQWZCDLFOAB-UHFFFAOYSA-N 278.399 5.095 30 20 CKED CC(C)=CCC[C@@H](C)N[C@@H](CCCC#N)c1ccccc1 559862366 BDHVNIVPWWICKB-MJGOQNOKSA-N 284.447 5.146 30 20 CKED C[C@@H](Nc1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 776781914 AMFZCCWGQMLBOP-CYBMUJFWSA-N 290.341 5.024 30 20 CKED CC[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C)c1 353633141 RPNAEZAFZZQAAW-WOJBJXKFSA-N 292.426 5.081 30 20 CKED O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccccc1F 916136437 OIPUCXWMCDKNOF-VURMDHGXSA-N 295.140 5.029 30 20 CKED CC(C)(C#N)CCCSCc1cccc(Cl)c1F 466753265 KZFXITQZHDHBRZ-UHFFFAOYSA-N 285.815 5.042 30 20 CKED C[C@H](SCCCCC#N)c1ccc(Cl)c(Cl)c1 532201982 QIEMPPRMNCHTFW-JTQLQIEISA-N 288.243 5.481 30 20 CKED Cc1ccc([C@H](C)N[C@H](CCCC#N)c2ccccc2)s1 340461436 ZHGZZLDXNMNBFR-DOTOQJQBSA-N 298.455 5.142 30 20 CKED N#C[C@H](SC1CCC(C(F)(F)F)CC1)c1ccccc1 566808163 LQJIVFZPTVATBT-RUXDESIVSA-N 299.361 5.106 30 20 CKED CC(C)c1ncc(/C=C2\C[C@H](C)c3ccccc3C2=O)s1 751536039 ONICQPJKVZXTBA-OQZOHAQUSA-N 297.423 5.040 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C1\CC[C@H](C)C1 789720661 WQBDGRLKGROHTC-XERWBJCMSA-N 297.442 5.223 30 20 CKED CCCCCCCCCC[C@H]1O[C@@H]1CCCCC(C)C 43068412 HFOFYNMWYRXIBP-RTBURBONSA-N 282.512 6.501 30 20 CKED C=CCC[C@@H](NCc1ccsc1Cl)c1ccccc1 480303550 BVZLKWNVIJFVRM-OAHLLOKOSA-N 291.847 5.199 30 20 CKED C=CCCC1=CC[C@@](N)(CCCCCCCCC)C1 261508090 PPCLKDLUUXAOAW-SFHVURJKSA-N 263.469 5.511 30 20 CKED CC(=C/c1ccccc1)/C=C/C(=O)c1c[nH]c2ccccc12 303089456 CRJCLSZABBWQHX-UDPMFAINSA-N 287.362 5.010 30 20 CKED C[C@H](c1ccccc1)N(CCCC(C)(C)C#N)CC1CCC1 472245897 DWPMPKWUAXVRKH-QGZVFWFLSA-N 298.474 5.180 30 20 CKED CCCCCCCC(=O)N1CCC[C@@H]1c1ccc(C)cc1 893841553 BTZGZOLBOZMECE-GOSISDBHSA-N 287.447 5.019 30 20 CKED Cc1cc2cc([C@H](C)NCC(C)(C)CCC#N)oc2cc1C 558237152 HDFKZSHUHJXBIG-HNNXBMFYSA-N 298.430 5.030 30 20 CKED CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 36921449 DSCROFJIAMDSAM-SCLBCKFNSA-N 298.817 5.014 30 20 CKED CC(C)(C#N)CCCCSC/C=C\c1ccccc1 435882001 CWPNRLCJQBRKEM-FLIBITNWSA-N 273.445 5.153 30 20 CKED O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1cccs1 33406184 GAPLCJINJMZHMZ-CLFYSBASSA-N 298.338 5.043 30 20 CKED N#CC1(C(O)=Nc2cccc(C3CCC3)c2)CCCCC1 329626955 PDIVTCHSVCUWDS-UHFFFAOYSA-N 282.387 5.016 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C/C(=C\C)CC 789890497 RORAGKRZEYAHPD-TUMVWARGSA-N 297.442 5.390 30 20 CKED CC(C)C[C@H](NCCCCC(C)(C)C#N)c1ccccc1 444685861 QECVXRYKTIDHHM-SFHVURJKSA-N 286.463 5.083 30 20 CKED C=CCC[C@@H](NCCCCC(F)(F)F)c1ccccc1 539359054 CJQMCFBRQBXCDE-OAHLLOKOSA-N 285.353 5.016 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C(C)=C(/C)CC 789719441 PYVWDCJOUREPFT-PFONDFGASA-N 285.431 5.223 30 20 CKED CCCCCCCCCN(C)C(=S)Nc1ccsc1 790308658 GVEZTVVHUDCVHC-UHFFFAOYSA-N 298.521 5.127 30 20 CKED CC(C)(C#N)CCSCc1c(Cl)cccc1Cl 463257768 ANBVZTWFELHFAZ-UHFFFAOYSA-N 288.243 5.166 30 20 CKED CC(C)(C#N)CCCN(Cc1ccsc1)c1ccccc1 472258238 OPCDIZKQTVFLMH-UHFFFAOYSA-N 298.455 5.085 30 20 CKED O=C(/C=C/c1nccs1)c1ccc(C2CCCCC2)cc1 730085060 MEJYKZKRTBGIOL-ZHACJKMWSA-N 297.423 5.087 30 20 CKED CCCCCCCC(=O)CCCCCCCCC(=O)O 2113930916 HUILNOAFOTZMQC-UHFFFAOYSA-N 284.440 5.121 30 20 CKED C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 37200489 OPQGADWNTHVGSP-SNVBAGLBSA-N 291.181 5.038 30 20 CKED C[C@@H](c1cccs1)N(CCCCC#N)Cc1ccccc1 608832670 HHCGEPAHYBLIPI-INIZCTEOSA-N 298.455 5.005 30 20 CKED Cc1ccc([C@H](C)N[C@@H](CCCC#N)c2ccccc2)s1 340461438 ZHGZZLDXNMNBFR-RDJZCZTQSA-N 298.455 5.142 30 20 CKED C=C(C)C[C@H](C)C(=O)N1CCCCC[C@H]1c1cccc(C)c1 466432794 ZUCIJXGTGPEHIB-HKUYNNGSSA-N 299.458 5.041 30 20 CKED C=CCC[C@@H](N[C@H](CC)c1ccccc1O)c1ccccc1 775522521 SFCHIVTWBHFNGX-RTBURBONSA-N 295.426 5.140 30 20 CKED N#CCCCS[C@@H]1CCc2c(Cl)cc(Cl)cc21 479526296 LLFMVCIUXINOSP-CYBMUJFWSA-N 286.227 5.018 30 20 CKED C=CCC[C@H](N[C@H](C)c1cccc(OC)c1)c1ccccc1 540147733 WDDWIBYJGKGVGO-UZLBHIALSA-N 295.426 5.053 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C=C\C1CCCC1 843584473 XVCNFVZRXOSEDO-YPKPFQOOSA-N 297.442 5.223 30 20 CKED C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 37196572 KUMIAORWQHERGI-CQSZACIVSA-N 278.399 5.029 30 20 CKED CCCCCCCCC(=O)Nc1ccccc1Cl 108887415 QXQGCHLLWMTKSC-UHFFFAOYSA-N 267.800 5.029 30 20 CKED C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CCCCC#N 464766958 VKKIXCBAROLOMN-QGZVFWFLSA-N 292.426 5.040 30 20 CKED COc1ccc2cc([C@H](C)SCCCCC#N)ccc2c1 480425643 NECREKVHHUFKNB-AWEZNQCLSA-N 299.439 5.336 30 20 CKED C=CCC[C@@H](NCc1c(C)oc2ccccc12)c1ccco1 575238260 ZDWXABQEFCMRPF-QGZVFWFLSA-N 295.382 5.131 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)/C(C)=C\C(C)(C)C 588574410 BUBLZFZFCQXAAH-SQFISAMPSA-N 299.458 5.469 30 20 CKED C[C@H](SCCCC#N)c1ccc(Cl)c(Cl)c1 463188917 FXEIKTRGAAZHHM-VIFPVBQESA-N 274.216 5.091 30 20 CKED C[C@@H](SCCCCC(C)(C)C#N)c1cccc(C#N)c1 435883397 KMSMGRMCYVWDBX-CQSZACIVSA-N 286.444 5.073 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C1CCCCCC1 476112307 SQOFWNZUOLAQBF-UHFFFAOYSA-N 299.458 5.447 30 20 CKED C=CCCSCCOC(c1ccccc1)c1ccccc1 610092718 VAAVQTKDOROWRU-UHFFFAOYSA-N 298.451 5.102 30 20 CKED CC(C)(C#N)CCCCN[C@H](c1ccccc1)C(C)(C)C 444654990 QSOIUOJWGQIOEK-QGZVFWFLSA-N 286.463 5.083 30 20 CKED C[C@H](C#N)CSc1ccccc1N[C@H](C)c1ccccc1 108408441 SRJVKTDOCBAXQT-HUUCEWRRSA-N 296.439 5.111 30 20 CKED CC[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1 414194192 XRAUXEWBJOKDSS-FZKQIMNGSA-N 298.817 5.014 30 20 CKED CC(C)Sc1ccc(CSCCCCC#N)cc1 511956725 RJSRZGPYKURLPB-UHFFFAOYSA-N 279.474 5.114 30 20 CKED C[C@H](N[C@H](CCC#N)c1ccccc1)c1ccccc1Cl 90665359 IWVQFWSYONCQEU-KBXCAEBGSA-N 298.817 5.036 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CCC1(C)CC1 935605813 BNKJAXMOMATJIA-UHFFFAOYSA-N 285.431 5.057 30 20 CKED C=C(C)CCNC(=O)Nc1c(C(C)C)cccc1C(C)C 454157995 JBULVWSOFVXMEQ-UHFFFAOYSA-N 288.435 5.021 30 20 CKED C[C@@H](SCCCC#N)c1ccc(Cl)c(Cl)c1 463188916 FXEIKTRGAAZHHM-SECBINFHSA-N 274.216 5.091 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@@H](C)C1 476122474 KFIYAYBYMFVODL-HZPDHXFCSA-N 299.458 5.303 30 20 CKED C=CC[C@@H](N[C@@H](CC)c1ccc(CC)cc1)c1ccncc1 766018082 FVMNTLONEMJHCK-VQTJNVASSA-N 294.442 5.002 30 20 CKED C=CCC[C@@H](N[C@@H](C)c1ccsc1)c1ccccc1 536833637 QCLLMZMZLNWGQG-WMLDXEAASA-N 271.429 5.106 30 20 CKED O=C(/C=C\c1cccc(F)c1)c1cccc(Cl)c1Cl 734981038 MIEBTUCKYWONAE-FPLPWBNLSA-N 295.140 5.029 30 20 CKED CCCCCCCCC(=O)N1CCC[C@@H]1c1cccs1 885027343 ZDIJMANKUFHYGA-OAHLLOKOSA-N 293.476 5.162 30 20 CKED C[C@H](SCCCCC#N)c1ccc2ccccc2c1 480389508 PSHCLJSZPUXVMO-AWEZNQCLSA-N 269.413 5.328 30 20 CKED CCCCCCCC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 817564890 GAUCMXJXITYBKB-LJQANCHMSA-N 299.458 5.101 30 20 CKED O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccccc1F 916136436 OIPUCXWMCDKNOF-SOFGYWHQSA-N 295.140 5.029 30 20 CKED CC[C@@H](Sc1ccc(C#N)cc1F)c1ccc(F)cc1 525116562 AIIZSLFFASKEPI-OAHLLOKOSA-N 289.350 5.080 30 20 CKED C[C@@H](S[C@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 609825582 GTMVGZAVGRTCGD-CHWSQXEVSA-N 285.387 5.253 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C)c(C)o1 530507685 HRVLKLOQEZALRE-UHFFFAOYSA-N 297.398 5.001 30 20 CKED C[C@@H](Nc1cccc2ccccc12)c1ccc(C#N)c(F)c1 777602184 JJGLTQKEKNCHMR-CYBMUJFWSA-N 290.341 5.024 30 20 CKED CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 36921448 DSCROFJIAMDSAM-UGSOOPFHSA-N 298.817 5.014 30 20 CKED C=CCC[C@@H](CC)Nc1cccc(COCc2ccco2)c1 537435850 KCHSLNVFGSXSAO-QGZVFWFLSA-N 299.414 5.153 30 20 CKED CCCCCCCCC(=O)N1CCC[C@H]1c1cccs1 885027342 ZDIJMANKUFHYGA-HNNXBMFYSA-N 293.476 5.162 30 20 CKED CC[C@H](N[C@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1 447510883 QYNHDNJSNGURBJ-ACJLOTCBSA-N 298.817 5.014 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)c1csc(C)c1 671816971 IAELXIROZQWNMN-UHFFFAOYSA-N 299.439 5.161 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)CC1=CCCCC1 189906572 LHGUOAZYFIYCPB-UHFFFAOYSA-N 297.442 5.368 30 20 CKED C=CCC[C@@H](NCc1sccc1Cl)c1ccccc1 558850846 LVQNDLRZZRJLTK-OAHLLOKOSA-N 291.847 5.199 30 20 CKED CC(C)c1ccc(S[C@@H](C#N)Cc2ccccc2)cc1 603454281 KEKRIDDHPDTWFE-GOSISDBHSA-N 281.424 5.037 30 20 CKED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 36979259 VAYGWXAIIJNLOA-FZKQIMNGSA-N 298.817 5.014 30 20 CKED O=CCCCCCCCCCCCCCCCC(=O)O 1585337392 NODUWZWAWIRJQS-UHFFFAOYSA-N 284.440 5.121 30 20 CKED C[C@H](Nc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 19231334 KDUVHIHDWNWGPF-AWEZNQCLSA-N 278.399 5.029 30 20 CKED CC[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1 36921451 DSCROFJIAMDSAM-FZKQIMNGSA-N 298.817 5.014 30 20 CKED CCCCCCCCC(=O)Nc1cccc([C@H](C)OC)c1 726930417 CZCCUPGCVLTNPX-HNNXBMFYSA-N 291.435 5.083 30 20 CKED C[C@@H](SCCCCC#N)c1ccc(C(F)(F)F)cc1 480379501 AMPYSOUPNMHQJQ-LLVKDONJSA-N 287.350 5.193 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C=C)CC 935606404 LOZNHLQFYZACTJ-HNNXBMFYSA-N 285.431 5.079 30 20 CKED C=CCC[C@H](NCc1ccsc1Cl)c1ccccc1 480303549 BVZLKWNVIJFVRM-HNNXBMFYSA-N 291.847 5.199 30 20 CKED CC[C@H](NCC(C)(C)CCC#N)c1cccc2ccccc12 588231649 NIHMADHCDYRUEC-IBGZPJMESA-N 294.442 5.210 30 20 CKED C=CCc1cccc(C(C)C)c1NC(=O)C[C@H]1CCC[C@H]1C 476171109 ZDSLLZJLXDUNLM-NVXWUHKLSA-N 299.458 5.303 30 20 CKED CC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 37283072 RCKYYNRTBVLQLW-SCLBCKFNSA-N 298.817 5.014 30 20 CKED C/C=C\c1ccc(NCc2ccccc2C(C)(C)C#N)cc1 564198827 FRGFPCGFOVJMOO-DAXSKMNVSA-N 290.410 5.133 30 20 CKED CCCCCCCCCC(=O)N1CC[C@H]1c1ccccc1 917140749 QEXOZYXVAZIMQH-SFHVURJKSA-N 287.447 5.101 30 20 CKED C[C@@H](Nc1ccc(C#N)cc1)c1cccc(Cl)c1Cl 227527473 WNXUOJDFESGQDP-SNVBAGLBSA-N 291.181 5.038 30 20 CKED Cc1cccc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 340444251 HLUDPZFTTFVXBO-XLIONFOSSA-N 292.426 5.081 30 20 CKED C[C@@H](SCCCC(C)(C)C#N)c1ccc(F)c(F)c1 480427899 XGSZEVFSYYMQNT-LLVKDONJSA-N 283.387 5.089 30 20 CKED Cc1ccc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)cc1 340444751 JDPJWRKBKSAMPJ-YLJYHZDGSA-N 292.426 5.081 30 20 CKED CC[C@H](C#N)S[C@@H](C)c1ccc(Cl)c(Cl)c1 436048464 VNCNEVNAMFVCMD-WCBMZHEXSA-N 274.216 5.090 30 20 CKED Cc1ccc2ccccc2c1CSCCCCC#N 480356627 AVMSOPHWKRRQOB-UHFFFAOYSA-N 269.413 5.075 30 20 CKED CC[C@@H](N[C@@H](C)c1cc(C)sc1C)c1ccc(C#N)cc1 584093184 MEEKLIGGTIGYDN-SCLBCKFNSA-N 298.455 5.039 30 20 CKED O=C(/C=C/c1cccs1)c1cc(Cl)sc1Cl 18065561 MEAJAYRZBUNTQC-ONEGZZNKSA-N 289.208 5.013 30 20 CKED O=C(/C=C\c1ccsc1)c1cc2cc(Cl)ccc2o1 209983671 QAYFVUUNFZUMTK-IWQZZHSRSA-N 288.755 5.044 30 20 CKED