smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#C[C@@H](C(=O)C1CCCCCC1)c1c(Cl)cccc1Cl 53714791 DYMOWHLVRBOBTF-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)CC1 91880660 NOPOBNRPVUJKCL-YWCUFVOSSA-N 312.240 5.137 30 10 DKEE SC[C@H](COc1c(Cl)cccc1Cl)c1ccccc1 94584820 KZJIFOSPOYBWJW-LBPRGKRZSA-N 313.249 5.086 30 10 DKEE CCCC[C@H](CC)[C@@H](O)C#Cc1ccc(Oc2ccccc2)cc1 95633821 MYBRFJOSSRAOHK-UGKGYDQZSA-N 322.448 5.408 30 10 DKEE Cc1cc(OCCCCCCCCCS)cc(C)c1Cl 97799766 VUEPLFQSRRIUAM-UHFFFAOYSA-N 314.922 5.996 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(OC(C)C)cc1 100048472 YYGVKYSYOPKAFT-HXUWFJFHSA-N 305.506 5.875 30 10 DKEE CCCCCCCCCCCC(=O)NCCCc1ccccc1 109207964 NZCNSEBYOHGYNQ-UHFFFAOYSA-N 317.517 5.656 30 10 DKEE CCCCCCCCCOc1c(Cl)cc(Cl)cc1C=O 110310994 CNIGLKUNOVDXMT-UHFFFAOYSA-N 317.256 5.935 30 10 DKEE CCCCCCCCCC[C@H](CSC(C)(C)C)NCC 115645024 TUBDPSWKHZXMMH-QGZVFWFLSA-N 301.584 6.027 30 10 DKEE CCCCCCCCCC(=O)c1ccc(Br)cn1 140007307 SXVLUERCVFAODA-UHFFFAOYSA-N 312.251 5.168 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc2c(s1)CCC2 158973014 VTGOBRZSLRKGEC-QGZVFWFLSA-N 307.547 6.028 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)cc2Cl)C1 218321651 VNMIBUGUAUQEGN-XFBWCDHKSA-N 312.240 5.137 30 10 DKEE N#Cc1cc(F)cc(Oc2cc(Cl)c(Cl)cc2Cl)c1 227632831 KAVSMNLCOJCUDI-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE CCCCCCCCNc1cccc(Cl)c1Br 232944877 LNQQOUIISKEWNR-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE CCCCCCCCC[C@@H]1CNc2c(Br)cccc21 232956504 REGLDOGBZJXMJO-CQSZACIVSA-N 324.306 6.099 30 10 DKEE C=CCCCCC[C@H](NCC)c1cccc(C)c1Br 233545598 QWLBCDRQQCDDRO-INIZCTEOSA-N 324.306 5.545 30 10 DKEE C=CCn1c(SCC(C)C)nnc1-c1ccc2ccccc2c1 253564787 GXXPWAHODCYRSM-UHFFFAOYSA-N 323.465 5.032 30 10 DKEE CCCCCCC[C@@H](N)c1cc(F)c(F)cc1Br 310662969 WXNNYBDMHSDSTL-CQSZACIVSA-N 320.221 5.088 30 10 DKEE Fc1ccc(Cl)c(OCCCCCCCCCS)c1 311555415 MTPGRRQRHOWHBZ-UHFFFAOYSA-N 304.858 5.518 30 10 DKEE N#CC[C@@H](Sc1cc(Cl)cc(Cl)c1)c1ccccc1 311934512 FBLHHZZFRWPPAC-OAHLLOKOSA-N 308.233 5.740 30 10 DKEE Cc1ccc(Br)cc1CC1(C#N)CCCCCCC1 314184318 MUBFOAHXQHQNBB-UHFFFAOYSA-N 320.274 5.554 30 10 DKEE N#Cc1cc(Br)cc(NCCCC2CCCCC2)c1 694034149 SVSKXDHEDIKMDW-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1cc(C(F)(F)F)ccc1Cl 695856795 APPDXOGFZBUTBQ-VIFPVBQESA-N 304.743 5.099 30 10 DKEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698853918 BQJIMJAZRUUCCA-GOSISDBHSA-N 320.408 5.040 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1c(Cl)cccc1C(F)(F)F 715722242 QMQYCNWWOUXRDV-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C[C@@H](COCc1ccccc1)CC1(C=O)CCC(C)(C)CC1 719594025 WTCSNRYPWNKYLD-QGZVFWFLSA-N 302.458 5.015 30 10 DKEE C=C1CCC(C[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 724571380 PMOMIBJQYLSGOX-JOCHJYFZSA-N 322.448 5.436 30 10 DKEE CC/C(=N\OCc1ccccc1C)c1ccc2c(c1)CCCC2 821218502 UYIJMSDYHNTJSN-QURGRASLSA-N 307.437 5.205 30 10 DKEE Clc1ccc(CO/N=C(/c2ccccc2)C2CC2)cc1Cl 821226787 KPMCZXXLTNHBRP-JZJYNLBNSA-N 320.219 5.324 30 10 DKEE Clc1cc(Cl)cc(N=Cc2c(Cl)cccc2Cl)c1 1084121231 CQIQTKOVHNQVAU-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE CC(C)C[C@@H](CS)CSc1ccc(Br)cc1 1905529683 PUPUZAGJNUCGTK-NSHDSACASA-N 319.333 5.133 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)Cc1ccccc1Cl 1917874773 SIMGWXGXRUTGPX-HXUWFJFHSA-N 315.910 5.637 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CCC)CC(C)C 1922071343 JSXHQJDGKYVTEC-SFTDATJTSA-N 317.517 5.200 30 10 DKEE C=CCCCCCC[C@H](N)c1cscc1Br 1995178463 UUXOSKDRAJZFQH-ZDUSSCGKSA-N 302.281 5.037 30 10 DKEE C=CCC[C@H](C)C(=O)c1cc(Cl)c(C)cc1Br 1996463402 JXNBEEOPDAISRN-VIFPVBQESA-N 315.638 5.196 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(C)sc1Br 2026003363 PETROOBUZLRYES-ZDUSSCGKSA-N 316.308 5.345 30 10 DKEE N#C[C@@H](c1cc(Cl)cc(Cl)c1)[C@@H]1CCC2(CCCC2)C1 2203962907 UFJULIPISNZHPE-MLGOLLRUSA-N 308.252 5.961 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cscc2Br)C1 2214595289 HQPSHMKLXYEPGK-SMDDNHRTSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCCC(=O)Cc1ccc(Br)cc1 2227281851 TZPHDBJJDVKFKA-UHFFFAOYSA-N 323.274 5.477 30 10 DKEE C=CCCCCCCC[C@](C)(O)c1cc(Cl)sc1Cl 2227287555 QBSKEWVQPOTWIH-HNNXBMFYSA-N 321.313 6.179 30 10 DKEE CC(C)(C)C#C[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2233921326 NZPSAQRCCWRWFT-CQSZACIVSA-N 304.842 5.151 30 10 DKEE CCN[C@H](C#Cc1ccc(Cl)cc1)c1cc(C)c(Cl)s1 2239456849 BFWCFXKAOBGIPW-CQSZACIVSA-N 324.276 5.066 30 10 DKEE C=CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1CN[C@@H](C)CC 2240227787 JSSHQQZAALFJIN-NWDGAFQWSA-N 316.272 5.225 30 10 DKEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1ccsc1Cl 2240666335 LVQAAHWAMDYENX-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@H](OCCCN)c1sccc1Cl 2276156202 TZAXHQAYKRVJQX-AWEZNQCLSA-N 303.899 5.169 30 10 DKEE C=CCCCCCCCC[S@@](=N)(=O)CCC1CC(F)C1 2285669183 SYDPVNYTPGUWMR-ALLBUHFWSA-N 303.487 5.088 30 10 DKEE C=CCCCCCCCSc1ncc([C@H](C)NCC)s1 2287078328 ZWMVSFJKUJFNGO-AWEZNQCLSA-N 312.548 5.432 30 10 DKEE CCCC(CS)(CCC)CSC[C@H](CC(C)(C)C)OC 2287315534 VUIPZBDTZNLULA-HNNXBMFYSA-N 320.608 5.687 30 10 DKEE C=C([C@@H](OCCCN)c1cccc(Cl)c1Cl)C(C)(C)C 2293347856 IPFRAZZMHNBEDL-OAHLLOKOSA-N 316.272 5.002 30 10 DKEE CCSc1ccc(C)cc1C(=O)C=Cc1ccc(Cl)cc1 2295968006 STRKTFIQIGVJCT-UHFFFAOYSA-N 316.853 5.657 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cccc(Cl)c1Br 2304121696 DQYVSCSEEXGQPE-KGLIPLIRSA-N 317.654 5.128 30 10 DKEE Clc1ccc(CON=C(c2ccccc2)C2CC2)cc1Cl 2330296127 KPMCZXXLTNHBRP-UHFFFAOYSA-N 320.219 5.324 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(OC)c(Cl)s1 2340336704 HUKCZICWQRBEPC-LBPRGKRZSA-N 303.899 5.421 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2377277123 BKYOHTGLNUBOCY-MEDUHNTESA-N 314.231 5.785 30 10 DKEE Cc1ccc(N[C@@H](C#N)c2cc(F)c(Cl)cc2Cl)cc1 2377359700 JOQLEPMDMQOLIQ-HNNXBMFYSA-N 309.171 5.118 30 10 DKEE CC(C)COc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 83204769 MXWLCGADYXAIPP-FMIVXFBMSA-N 319.404 5.099 30 10 DKEE SCCCCCCCCCSCc1ccc(Cl)cc1 97800163 JTFUHBSCOGQYKY-UHFFFAOYSA-N 316.963 6.234 30 10 DKEE Clc1ccccc1C/N=C\c1cc2ccccc2nc1Cl 105774239 ZFQCRCNGLYUTKS-JAIQZWGSSA-N 315.203 5.161 30 10 DKEE N#C[C@@H]1CCCC[C@@H]1Nc1cc(Cl)c(Cl)cc1Cl 110155378 XFJRARVRNSHPDL-UFBFGSQYSA-N 303.620 5.141 30 10 DKEE CCCCCCCCC[C@H](N)c1cc2cc(Cl)ccc2o1 129299595 DUNDUUUHXNFWEH-INIZCTEOSA-N 307.865 6.227 30 10 DKEE C[C@H](Nc1cc(C#N)ccc1Cl)c1cc2c(s1)CCCC2 129538357 DKXVKJSISPKELS-NSHDSACASA-N 316.857 5.325 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)N(CC)C1CCCC1 191501039 MUOPQECRWHZCOG-UHFFFAOYSA-N 314.473 5.335 30 10 DKEE CCCCCCC[C@H](Cc1cccc(Cl)c1Cl)NCC 228978556 OXRJLXUCORMMSM-OAHLLOKOSA-N 316.316 5.875 30 10 DKEE CCCCCCCNc1cccc(Cl)c1Br 232924197 IQOLHXZVPCPLLN-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE CCCCCCC[C@@H](NCC)c1cnc(C(F)(F)F)s1 232954559 FZENOHWLJKDZNF-LLVKDONJSA-N 308.413 5.173 30 10 DKEE CN1/C(=C/C=C/C=C/C=Nc2ccccc2)C=Cc2ccccc21 367895567 IYTYXMHUSRWTEO-VSIHJNTCSA-N 312.416 5.548 30 10 DKEE O=[N+]([O-])c1cccc(N=Cc2cccc(-c3cccs3)c2)c1 1772722090 LWKNTPBKALDNCX-UHFFFAOYSA-N 308.362 5.074 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@@H](C)CCO 1915129794 CXVUPAGFYZZBKY-FQEVSTJZSA-N 319.533 5.400 30 10 DKEE CC(=CB1OC(C)(C)C(C)(C)O1)c1c(Cl)cccc1Cl 1927752047 WXUXADQXDKUDRF-UHFFFAOYSA-N 313.033 5.028 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1ccc(F)cc1Br 2065479560 JJCUSCKJWRZVOA-MPKXVKKWSA-N 310.210 5.022 30 10 DKEE C=CCCC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107942737 KBGSTQGENFISAL-CYBMUJFWSA-N 320.691 6.044 30 10 DKEE C=C(C)CC[C@H](NCC)c1cccc(SC(F)(F)F)c1 2164164911 GANQPWXHIKESID-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE CCCCCCCCCCN[C@H]1CS[C@H](C(F)(F)F)C1 2189226333 ZNXIJGJKTUONBS-KGLIPLIRSA-N 311.457 5.153 30 10 DKEE C#CC[C@@H](C[C@@H](NCCC)c1cc(Cl)sc1C)C1CC1 2196853908 KTGKZDLHWWXEMU-GOEBONIOSA-N 309.906 5.190 30 10 DKEE CCCC#CC[C@H](N)c1ccc(-c2ccccc2Cl)s1 2203831373 CNLHJLLYXXLSMF-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE C=CCCCCCC[C@H](Cc1ccc(Cl)cc1Cl)NC 2206901159 ZUKZGGPNCNYDLB-MRXNPFEDSA-N 314.300 5.651 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)cnc1Cl 2231941209 OVKMWOXKXINBND-GFCCVEGCSA-N 303.277 5.939 30 10 DKEE Cc1csc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1C 2234255731 IXNRLFJXOZGELE-NSHDSACASA-N 324.232 5.162 30 10 DKEE SC[C@@H](CSCCCCCCC1CC1)c1ccccc1 2239320542 LBGKQDXHWNTCEX-SFHVURJKSA-N 308.556 5.794 30 10 DKEE CCCCCCCC[C@@](C)(N)Cc1cc(Cl)ccc1Cl 2240611771 LRDIRNOIUNCSSU-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE C=C[C@H](C)C[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2254736203 IPICSAKBVLHLOV-BLLLJJGKSA-N 310.279 5.045 30 10 DKEE C=C[C@@H](C)CCNc1cc(Br)ccc1C(F)(F)F 2260237903 ICMXCLLISMTCCS-SECBINFHSA-N 322.168 5.092 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2299507724 MFQJYFACSZRJBX-PGRDOPGGSA-N 323.480 5.519 30 10 DKEE C=CCC[C@@H](C)N(C)CCCc1cc(Cl)cc(Cl)c1 2341126553 CSCIHVIPUFLFRX-CYBMUJFWSA-N 300.273 5.213 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414552 KCCLEBOQMZLLES-MLGOLLRUSA-N 312.284 5.392 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2366409813 ZMRIQLYCOKPMAA-OAHLLOKOSA-N 318.263 5.920 30 10 DKEE C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1 21061100 LHVKYLKVZPAMRB-NSHDSACASA-N 321.207 5.069 30 10 DKEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3o2)C1 37155638 YKRQANRUHQFEEC-HEHGZKQESA-N 300.427 5.028 30 10 DKEE SCC1(COc2cc(Cl)c(Cl)cc2Cl)CCC1 94583558 RHUUKWJBGKWRBI-UHFFFAOYSA-N 311.661 5.126 30 10 DKEE CC(C)(C)C1CC(C#N)(Sc2ccc(Br)cc2)C1 97241655 FVVKXRFJXWJHIU-UHFFFAOYSA-N 324.287 5.260 30 10 DKEE CCCCCCCCc1ccc(O)c(CCCCCCCC)c1 100052680 RLMZELPHRPTNJX-UHFFFAOYSA-N 318.545 7.198 30 10 DKEE CCCCCCCCCCC(=O)c1cc(F)c(F)c(F)c1 109709628 FBOROPYUNMASRT-UHFFFAOYSA-N 300.364 5.817 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cccc(Cl)c1F 113940846 QKEOEZSBKDRVTP-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCC[C@H](CSc1ccccc1)NN 126657268 NZULIRZMYFDXTL-QGZVFWFLSA-N 308.535 5.141 30 10 DKEE CCCCCCCCC[C@@H](CCCc1cccs1)NCC 139534548 KAICGAVHOFLKGL-SFHVURJKSA-N 309.563 6.190 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1cc(OC)cs1 157909823 XZQHMRRSJVJHTL-KRWDZBQOSA-N 311.535 5.938 30 10 DKEE CSc1cccc(N[C@H](C)c2cc(C)sc2C)c1C#N 167581456 VNGLHJSACJPUBZ-LLVKDONJSA-N 302.468 5.132 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Br)c(Cl)s1 227730352 PXRWLFUSXYQHMM-SNVBAGLBSA-N 324.715 5.524 30 10 DKEE CCCCCCCCCCCCNC[C@H]1CSCCS1 229594384 CQVAZDZXSWFOJI-KRWDZBQOSA-N 317.608 5.346 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(C)cc(Br)c1 229755987 BTNPMYGMLMEABG-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC1(C)OB(/C=C/c2cc(-c3cccs3)cs2)OC1(C)C 307130268 YQCVSZYSBBIIPD-BQYQJAHWSA-N 318.272 5.121 30 10 DKEE Cc1cccc(C#N)c1Oc1ccc(OCc2ccccc2)cc1 310073477 LBAKYUCBOIIEHB-UHFFFAOYSA-N 315.372 5.238 30 10 DKEE C=C(C)[C@@H](NCCC)c1cc(Cl)c(C)cc1Br 393836878 QUUXDKUPVLQOMY-CQSZACIVSA-N 316.670 5.028 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(C)cc1F 395684548 UBHLVPADQJANJE-KRWDZBQOSA-N 300.845 5.962 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cccc(Cl)c1Cl 686697119 NAEBETQHPILIGS-MRXNPFEDSA-N 312.284 5.618 30 10 DKEE C[C@H](CC(C)(C)C)C[C@]1(C#N)CCCCN1C(=O)OC(C)(C)C 709236407 PUXGEJUIISRXIS-BEFAXECRSA-N 322.493 5.132 30 10 DKEE C#CCCCCCCC(=O)N(Cc1ccccc1)CC(C)(C)C 1905112404 ZPGIIWLSOMFUCQ-UHFFFAOYSA-N 313.485 5.035 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@](C)(C#N)C1(C)CCCC1 1987597051 VIKRHVKOUQVPCQ-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(Br)sc1C 1996479125 VNIWDGCSSNXEJM-HZMBPMFUSA-N 316.308 5.072 30 10 DKEE C=C(C)CC[C@H](NCCC)c1sc(Br)cc1C 2000388395 SZEIQBIKMCSZFS-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE O=C(C=C1CCCCC1)c1cccc(Br)c1Cl 2007983988 PJPATBHRMDMAMM-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(C)c(Br)s2)CC1 2010765185 RECHPSJHCWMIEU-JTQLQIEISA-N 313.260 5.138 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(C)ccc1Br 2085856483 MZNZFPQVNJHISQ-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE C=C([C@@H](N)c1ccc(-c2ccccc2Cl)s1)[Si](C)(C)C 2164001746 FUHCRVIPXQJYBU-MRXNPFEDSA-N 321.949 5.502 30 10 DKEE C=CCC[C@@H](C)[C@H](N)c1ccc(-c2ccccc2Cl)s1 2164005870 GNLABPGHQUROID-PXAZEXFGSA-N 305.874 5.671 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc(C(F)(F)F)cs2)CC1 2164141211 SMNHWCQIMKESGU-ZDUSSCGKSA-N 303.393 5.164 30 10 DKEE CCCCCCCCCCC(=O)c1cc(C(F)F)cs1 2164493375 PDGGCBZRHMMCFG-UHFFFAOYSA-N 302.430 6.399 30 10 DKEE N#C[C@]1(CCc2cc(Cl)cc(Cl)c2)CCCCC12CC2 2173610958 DNCXSEKJPOTMBG-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Cl)c(F)cc1F 2179365876 UUBIECUXIQNVCU-BDJLRTHQSA-N 301.808 5.261 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2203425846 LIYRMHABVIQJGZ-FZMZJTMJSA-N 316.272 5.255 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 2206895625 WFZJPRRCSMVJIK-INIZCTEOSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1ccc(Br)cc1 2227276341 QWMYSRQGEFCQMP-KRWDZBQOSA-N 324.306 5.540 30 10 DKEE CCCC#CC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2234040157 FEJNQNRLSYOXPH-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1ccc(Cl)c(Cl)c1 2235532129 HFSBFCBDLYXYBC-QGZVFWFLSA-N 314.300 6.084 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1csc(Cl)c1 2240638151 QQSKNCRYHUDKJY-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE CC(C)(C)C#CC=CCc1cc(OCc2ccccc2)ccc1O 2248448892 CMULZOFOTSYALK-UHFFFAOYSA-N 320.432 5.119 30 10 DKEE C=CCC[C@H](OCCCN)c1c(Cl)ccc(Cl)c1Cl 2276615903 BPPUBANZQHXSPK-LBPRGKRZSA-N 322.663 5.020 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1ccc(Cl)s1 2278233207 GPMPEYCMGNMVIN-CQSZACIVSA-N 301.927 6.020 30 10 DKEE C=CCCCSC[C@H](NCCC)c1cc(F)cc(Cl)c1 2287077062 VJCDKUQRTQFCBV-INIZCTEOSA-N 315.885 5.219 30 10 DKEE C=C(C)CCCC[C@H](NCCC)[C@@H]1SCCS[C@H]1CC 2287471493 BNJHGEZURKNWPL-ULQDDVLXSA-N 315.592 5.118 30 10 DKEE CCCCCCCCC[C@H](OCCN)c1ccc(Cl)s1 2293256967 IMPNYFVURKTNQO-AWEZNQCLSA-N 317.926 5.559 30 10 DKEE CCCCCCCC[C@H](OCCCN)c1ccsc1Cl 2293412077 YQIYWIWQNDVBPZ-HNNXBMFYSA-N 317.926 5.559 30 10 DKEE O=C1C(=Cc2ccc(Cl)cc2Cl)Sc2ccccc21 2296412401 QIAHQNWKYORNKX-UHFFFAOYSA-N 307.201 5.323 30 10 DKEE N#CC1(CCCc2cc(Cl)cc(Cl)c2)CCSCC1 2341191757 GUPKWORNNUHEFT-UHFFFAOYSA-N 314.281 5.353 30 10 DKEE C=CCC(CC=C)SCc1cc2sc(C(=O)O)cc2s1 2360204675 FERUWGYWPYNULA-UHFFFAOYSA-N 324.492 5.415 30 10 DKEE C=CCCCCCCC(=O)CCc1cc(Cl)cc(Cl)c1 2366870073 LUVPHPRECJTCNE-UHFFFAOYSA-N 313.268 6.022 30 10 DKEE O=C1/C(=C/Nc2ccccc2)[C@@H](c2ccccc2)c2ccccc21 13285707 CTAWUMWLZOIMBV-MEPUESOJSA-N 311.384 5.011 30 10 DKEE CCCCCCCCCCCCCCCCCCNC(C)=N 59454590 YFDOQSCRDSPKSU-UHFFFAOYSA-N 310.570 6.835 30 10 DKEE Cc1cccn2c(/N=N\c3cccc(C#N)c3)c(C(C)C)nc12 71581635 UCNSYSXFZVFFLI-DQRAZIAOSA-N 303.369 5.053 30 10 DKEE CC[C@@H](CS)CN1c2ccccc2Sc2ccccc21 94586512 VEIZSUHOXHVCRE-CYBMUJFWSA-N 301.480 5.245 30 10 DKEE CCCCCCCCCCC/C=C/CCCCCC(=O)OC 100167498 WGBWLCDJBKYJRR-BUHFOSPRSA-N 310.522 6.587 30 10 DKEE C=C/C=C\C/C=C\C[C@H]1O[C@@H]1CCCCCCCCCCC 104899499 MNOQVNSRLYAHLG-ZIABVMEJSA-N 304.518 6.753 30 10 DKEE biogenic N#Cc1cc(F)ccc1Nc1ccc(C(F)(F)F)cc1Cl 111042513 ZXSOLFPQBUWISQ-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCC[C@H](NN)c1c(Cl)cccc1Cl 122225954 YFYZBDQBVLVTMT-HNNXBMFYSA-N 317.304 5.639 30 10 DKEE N#Cc1cc(F)ccc1NCc1cc(-c2cccs2)cs1 126253412 LGUAQCSBVCMQEP-UHFFFAOYSA-N 314.410 5.099 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1cc(OC)cs1 157909981 XZQHMRRSJVJHTL-QGZVFWFLSA-N 311.535 5.938 30 10 DKEE CCCCCCCC[C@@H](N)c1csc(Br)c1 161957953 WTCLGZDQUJHNRC-GFCCVEGCSA-N 304.297 5.261 30 10 DKEE CCCCCCCCNCc1ccc(C)cc1Br 164053582 OBKYLYHIIBYWLT-UHFFFAOYSA-N 312.295 5.208 30 10 DKEE CCCCCCCCCCC(=O)c1cc(F)c(Cl)cc1F 165095376 RRTPLGQJDKEAOJ-UHFFFAOYSA-N 316.819 6.332 30 10 DKEE C(=N/c1ccc(-c2ncc(-c3ccccc3)o2)cc1)\c1ccccc1 206569827 KLBJIHSFXXTRGE-HZHRSRAPSA-N 324.383 5.759 30 10 DKEE CCCCCCCCCOc1cc(N)cc(Br)c1 232953460 DILCHAKZNIHMIN-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE Cc1cccc(C(=O)C2=CCCCCCC2)c1Br 235886330 QONAAWQBMXJNMM-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE Cc1ccc(-n2c(C)cc(C=Nc3cccc(O)c3)c2C)cc1C 254612782 MFNPGYOVTNAOQL-UHFFFAOYSA-N 318.420 5.167 30 10 DKEE Oc1c(C=Nc2cccc3ccccc23)sc2ccccc12 263629598 CPRHXRCMHWXTBD-UHFFFAOYSA-N 303.386 5.511 30 10 DKEE CCCCCCCCNc1cc(Cl)cc(Br)c1 308321670 WIOFAIZFGVSVSG-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE CCCC(CS)(CCC)COc1cc(F)c(F)cc1C 380129289 SLYXZMOJFIIJCY-UHFFFAOYSA-N 302.430 5.168 30 10 DKEE CC(C)C(C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)C 380375986 SHTGTFANTSQPIG-LBPRGKRZSA-N 312.240 5.098 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(C)cccc1Br 690400259 VNKODSYZHLTISF-CQSZACIVSA-N 312.295 5.918 30 10 DKEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2c(Cl)cccc21 692191124 NVFGWHUHNVUUNB-WCQYABFASA-N 306.862 5.286 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 695006478 KYXQZOLNQFJWAG-CQSZACIVSA-N 306.755 5.529 30 10 DKEE CC[C@H](C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698422322 BSYXOWLKPKJACF-HOCLYGCPSA-N 316.445 5.065 30 10 DKEE CCCCCCC[C@@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698853026 GBCNANCLBYAGMI-IBGZPJMESA-N 324.509 5.522 30 10 DKEE CCCCCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NN 722102388 CQHKPRPQHUBFOQ-MRXNPFEDSA-N 317.304 5.118 30 10 DKEE CCCCCCCCC(=O)NCC[C@H](C)c1ccc(OC)cc1 1866090257 UPQOMAFVOAXICS-KRWDZBQOSA-N 319.489 5.056 30 10 DKEE C=CCCN(Cc1ccccc1)[C@H](C)CCCCN[C@@H](C)CC 1901765746 WBOJKSYTSUYPDX-VQTJNVASSA-N 316.533 5.012 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C)(C)C(C)(C)C 1922079179 COOFKNFNUIIYNB-LJQANCHMSA-N 317.517 5.200 30 10 DKEE C[C@H](COCc1ccccc1)C[C@@]1(C=O)CCCC(C)(C)CC1 1939897689 CBXJCAVYNPXBDQ-GHTZIAJQSA-N 316.485 5.405 30 10 DKEE C=CCC[C@H](C)N[C@@H]1CCC(C)(C)C[C@H]1OCc1ccccc1 1979634487 DZZVADWSDWQXFD-DFQSSKMNSA-N 315.501 5.095 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H]1CCCC(C)(C)C1 1980273203 BNIPARXRFCRBTE-ARFHVFGLSA-N 322.493 5.131 30 10 DKEE CCCCCCCC[C@@H](C#N)N(CC1CC1)C(=O)OC(C)(C)C 1995349806 OTBKIKYSFOSXBF-KRWDZBQOSA-N 322.493 5.276 30 10 DKEE CCCC#CC[C@H](NCC)c1ccccc1OCc1ccccc1 2024352474 VBEVQRYRSWKZMO-NRFANRHFSA-N 321.464 5.110 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1cc(Cl)sc1Cl 2046001962 HQCCPEMAKQCMHP-DGCLKSJQSA-N 306.258 5.198 30 10 DKEE C=C(C)CCC[C@@H](NCCC)c1ccc(Br)cc1 2050513098 MFZIEYPAHWNLFF-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cccc(Cl)c1Cl 2141915883 GECSTZKJQYHMJN-INIZCTEOSA-N 301.257 5.728 30 10 DKEE C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)c2ccsc2S1 2152742342 FYEKSBCLZUJQJP-YMTOWFKASA-N 320.870 5.311 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164194409 DVKDRAVVFSZJCI-OAHLLOKOSA-N 305.512 5.874 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1ccc(Cl)cc1Cl 2164479365 GHIFPTYJOWMRTM-JKSUJKDBSA-N 314.256 5.311 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(Cl)cc(F)c1Cl 2231189551 SMKFZMZGNOGNMQ-IINYFYTJSA-N 304.236 5.385 30 10 DKEE CCC1(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)CCCC1 2235757971 PGWNTPVKNXCYJQ-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE C=C(C)CCCCNc1ccc(Cl)c(Br)c1 2244628564 JZUQYZRVRADJQE-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=CCCCCCCCSc1ccc(C(=N)N)cc1Cl 2287069919 NXTYVIQWXMSSCG-UHFFFAOYSA-N 310.894 5.243 30 10 DKEE C[C@]12CCCC[C@H]1CCC(=Cc1ccc(C(F)(F)F)cc1)C2=O 2297510128 BFQYSIMJMLREMQ-YJBOKZPZSA-N 322.370 5.648 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Cl)cc1Br 2304058259 GULGWNRKKWKNOS-KBPBESRZSA-N 316.670 5.095 30 10 DKEE C=C1CCC(CNc2ccc(C)c(Br)c2F)CC1 2327811529 LHYFGPOECXKKOT-UHFFFAOYSA-N 312.226 5.055 30 10 DKEE C=CCCCCCNCCCc1cc(Cl)cc(Cl)c1 2341172172 UGEDRVMMAJRPIA-UHFFFAOYSA-N 300.273 5.262 30 10 DKEE C=C1CC([C@H](CCCc2cc(Cl)cc(Cl)c2)NCC)C1 2366842855 NORJBABSZFEXBS-KRWDZBQOSA-N 312.284 5.260 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2370493316 YNNUIXRGOIBVPK-DLBZAZTESA-N 314.300 5.636 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)c(C(F)F)s1 2371318040 IYNRXFQBRWYZDH-GFCCVEGCSA-N 323.880 6.350 30 10 DKEE N#C[C@H](C(=O)C1CCCCCCC1)c1c(F)cccc1Cl 86580067 YTTSXQIYIBYEDL-ZDUSSCGKSA-N 307.796 5.016 30 10 DKEE C=CC[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C 96675424 ZFYFRNMMJJEPEC-IAGOWNOFSA-N 301.430 5.093 30 10 DKEE CCCCCCCCCCCCC(=O)C(OCC)OCC 101745395 LBURAPYXUZXIKU-UHFFFAOYSA-N 300.483 5.266 30 10 DKEE CCCCCC(CCCCC)Nc1ccc(Cl)c(C#N)c1 109807171 XNYNHAOAVTYCPR-UHFFFAOYSA-N 306.881 6.153 30 10 DKEE CCCCCCCCCC(=O)c1c[nH]c2nccc(Cl)c12 130058526 GBWKSMKLNJSIQW-UHFFFAOYSA-N 306.837 5.540 30 10 DKEE Cc1ccc(Nc2ccc(C(F)(F)F)c(C#N)c2)c(Cl)c1 164402582 QDZXCPPNPZZWEY-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CC[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 168266671 YTQHNIAMVRSLTC-HNNXBMFYSA-N 323.198 5.567 30 10 DKEE N#Cc1c(N=Cc2c(Cl)cccc2Cl)sc2c1CCC2 245228843 GXZHPUFPTBGANZ-UHFFFAOYSA-N 321.232 5.166 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H](C)c2cccc(Cl)c2)C1 251766564 VRGWNYUDHWRVFQ-SZXPJGKVSA-N 304.865 5.051 30 10 DKEE CCCCCCCC(=O)Cc1ccc(C)c(Br)c1 313963933 HICHMUWLVCFYQQ-UHFFFAOYSA-N 311.263 5.230 30 10 DKEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1c(Cl)cccc1Cl 400903082 NZWOMZMLKGHCIR-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCCC[C@H]1CC 698419950 QSTNYBSSUJKZOR-VVLHAWIVSA-N 322.493 5.131 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1NCCc1cc(Cl)cc(Cl)c1 722129342 JZLKBZLUJVQNOC-PBHICJAKSA-N 312.284 5.260 30 10 DKEE Cc1ccc(N=Cc2cccc(Cl)c2)cc1Br 1084263227 ZYJFFAXEUAMNDR-UHFFFAOYSA-N 308.606 5.162 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(OCc2ccccc2)cc1 1903161773 SIDQUWPHLGTTRM-SFTDATJTSA-N 309.453 5.258 30 10 DKEE CC(C)[C@@H](C#N)CN(Cc1ccccc1)[C@H](C)c1cccs1 1915397446 OFGVFCMSFAIVHN-AEFFLSMTSA-N 312.482 5.107 30 10 DKEE CCCCCCC[C@@](C)(N)C[C@H](C)COCc1ccccc1 1919504651 LKPYMEJOTUTKCC-AZUAARDMSA-N 305.506 5.307 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(F)cc1Br 1920430762 OTZYKLUDNWVRPD-HNNXBMFYSA-N 316.258 5.123 30 10 DKEE C=C(C)CC[C@H](C)n1c(S)nc2cc(Cl)c(Cl)cc21 1925044508 TUUDKEJVIGVNCS-VIFPVBQESA-N 315.269 5.549 30 10 DKEE CCCCCCCCC[C@@H](O)c1csnc1Br 1925249485 ADCXHVJWKHFWDG-GFCCVEGCSA-N 320.296 5.080 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1scc(C)c1Br 1939864425 BODSLFYNLKGQIO-SNVBAGLBSA-N 322.699 5.002 30 10 DKEE CCCCCCCNCc1c(C)sc(C)c1Br 1944406046 RFFTZXQGJRIGTQ-UHFFFAOYSA-N 318.324 5.187 30 10 DKEE CCCCCCCN[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccccc1 1977481087 IWANPFAJGNNRBT-TYPHKJRUSA-N 317.517 5.320 30 10 DKEE CCCCCc1ccc(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2053515523 XZMFLDLPMNILKE-UHFFFAOYSA-N 323.392 5.224 30 10 DKEE C=CCCCCCCCCNc1cc(Br)ccc1C 2142454128 XZLRFHMUOIAACG-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE C#CCCCC[C@@H](NCCC)c1cc2sc(C)cc2s1 2173469925 DIQOSGBHPYMXRW-CQSZACIVSA-N 305.512 5.506 30 10 DKEE C=CCCCCCCCCCNc1ccc(Cl)cc1Cl 2207411743 DJDHDNDWQBCPBK-UHFFFAOYSA-N 314.300 6.712 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)C[C@](C)(O)CC 2211145925 NFHFTVWHPPFLTM-OAQYLSRUSA-N 317.517 5.176 30 10 DKEE C=CCCCCCCC[C@@](C)(O)c1c(Cl)cccc1Cl 2235537278 AUFXTDSUYWUHAS-QGZVFWFLSA-N 315.284 6.118 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1cc2sccc2s1 2289883233 RSIHLVQPHVGPEA-CQSZACIVSA-N 303.496 5.197 30 10 DKEE C=CCC(CC=C)OCc1ccc(Br)cc1Cl 2298831430 DYOKQTGXHSPKMB-UHFFFAOYSA-N 315.638 5.140 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc(Cl)sc1Cl 2316748807 DMTFJLGHCXOWHK-ZDUSSCGKSA-N 304.286 5.474 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(OC)c(Cl)s1 2340276658 XCSPWSGZLKLXQU-GFCCVEGCSA-N 303.899 5.551 30 10 DKEE C=C([C@H](NCC)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2340799279 RZZRRNMQXPUYHK-AWEZNQCLSA-N 304.236 5.385 30 10 DKEE N#Cc1sc(-c2ccc(Cl)s2)c(-c2cccs2)c1N 52902363 SLZWCCISEIMBTA-UHFFFAOYSA-N 322.867 5.312 30 10 DKEE CCCOC(=O)c1ccc(/N=C/c2cccc3ccccc23)cc1 59513697 IMQKXYSLTXJJTI-PXLXIMEGSA-N 317.388 5.157 30 10 DKEE CCCCCCCCCC[C@H](CS[C@H](C)CC)NCCC 115646070 LSCXRCRZRSEWLG-RTBURBONSA-N 315.611 6.417 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(Br)c(C)c1 125658659 IZWSQMADGYJNJT-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCC[C@H](COc1cccc(Cl)c1)NCCC 139603188 WBCXMNYJAQNWID-QGZVFWFLSA-N 311.897 5.448 30 10 DKEE CCCCCCC[C@H](Cc1ccc(Cl)s1)NCCC 160879308 NNGHMXRVQZQZKR-CQSZACIVSA-N 301.927 5.673 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)c(OC)cc1Cl 166945771 PQRREOBCMQUNPB-CQSZACIVSA-N 305.245 5.396 30 10 DKEE Cc1ccc(C(=O)/C=C\Oc2cc(C)c(Cl)c(C)c2)cc1 209923156 ZDOTZAFVDOYVPF-HJWRWDBZSA-N 300.785 5.041 30 10 DKEE Cc1ccc(C)c(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 252624197 PISRJCBGEZXYSZ-UHFFFAOYSA-N 320.348 5.222 30 10 DKEE CCCCCCCCNc1nnc(SCCCC)s1 257629203 FCMDXPJICYHUMH-UHFFFAOYSA-N 301.525 5.203 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(F)c(Cl)c1F 689604664 GJOWVOKBSXJZLH-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE CC[C@@H](C)C[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698859146 YQGGEYINZNZNDB-NVXWUHKLSA-N 322.493 5.275 30 10 DKEE CC[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712267484 YJUFMLJHQGQAAI-BEFAXECRSA-N 320.477 5.029 30 10 DKEE Clc1ccccc1N=C(c1ccccc1)N1CCCCCC1 1772743251 KIDMNTAXMRIQLQ-UHFFFAOYSA-N 312.844 5.294 30 10 DKEE C=C(C)CSc1nc(-c2ccc(C(C)(C)C)cc2)cs1 1860801257 HPLYGBHNVVJSQH-UHFFFAOYSA-N 303.496 5.776 30 10 DKEE CCCCOc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871398484 RLYWFSYKSZJMNH-UNOMPAQXSA-N 322.404 5.099 30 10 DKEE CCCCCCCCCCNC(=O)[C@H](CC(C)C)n1cccc1 1874095290 CCUVYJSIURXARU-IBGZPJMESA-N 320.521 5.332 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)C(=C)COCc1ccccc1 1903135112 YVEFZQUQGSKEMJ-NHCUHLMSSA-N 315.501 5.120 30 10 DKEE CCCCCCCCC(=O)Nc1cscc1Br 1912231869 RXPPZUAXRUHDDB-UHFFFAOYSA-N 318.280 5.200 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(CNCCC)cc1C 1914934707 RILHVXDCRHRKIW-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE C=CCCCCC(=O)c1ccc2cc(Br)ccc2c1 2123084064 MXXJSNYHGKBZGP-UHFFFAOYSA-N 317.226 5.531 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)c2cscc2Cl)C1 2146171020 RYYBOQLINBLNCP-CYBMUJFWSA-N 311.878 5.181 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H](O)c1cc(Cl)cs1 2148584613 XSRPICRBKRCIPM-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCNCc1ccsc1C(F)(F)F 2157671294 FSAWYSLLILELQC-UHFFFAOYSA-N 307.425 5.607 30 10 DKEE c1csc([C@H]2CSC(=Nc3cccc4ccsc34)N2)c1 2175643541 NCDFWWPFDXOMEP-GFCCVEGCSA-N 316.476 5.028 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(F)cc1C 2201708252 JDJUXUVFTWUHBP-KRWDZBQOSA-N 300.845 5.962 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(-c2cccs2)s1 2205859188 KFWJYYWEDOWXNP-AWEZNQCLSA-N 308.512 6.261 30 10 DKEE C=CCCCCCC(=O)c1scc(Br)c1C 2210635237 HAMXBANZCNJBEC-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)c1cscc1Cl 2239464439 RUFFNUMKLSITPB-INIZCTEOSA-N 324.276 5.147 30 10 DKEE C=CCCCCCCCS[C@@H]1CCCC(F)(F)[C@@H]1NC 2287194353 TZQUMQLJCLAXLK-HUUCEWRRSA-N 305.478 5.022 30 10 DKEE CC(C)(C)[Si](C)(C)C#CC=CC#C[Si](C)(C)C(C)(C)C 2293783466 ZYOMPLHZOSIBPC-UHFFFAOYSA-N 304.626 5.645 30 10 DKEE CC(C)(C)c1cc(C=NCc2ccccc2)cc(C(C)(C)C)c1O 2295869863 YJGNHHONRCRXHN-UHFFFAOYSA-N 323.480 5.606 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1c(C)sc(C)c1Br 2304026799 CSBKSCYHQSYINM-ZIAGYGMSSA-N 316.308 5.120 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2321149277 WSVZZSVKTFCBGY-OTYXRUKQSA-N 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C#CC[C@@H](CC)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 129742036 JMGWTTNHZVSWSN-NXEZZACHSA-N 304.648 5.099 30 10 DKEE C=CC[C@@H]1C/C(=C/c2ccccc2)CCN1C(=O)OC(C)(C)C 137880547 YCLFBBSNFWMYFT-UWXVCKHVSA-N 313.441 5.046 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(C(F)(F)F)cn1 140298567 YNMFBRYLUOFJQX-AWEZNQCLSA-N 302.384 5.112 30 10 DKEE CCCCCCCCCCCCSc1nc(C)cc(N)n1 148597119 DAVYCAILIJNPDJ-UHFFFAOYSA-N 309.523 5.380 30 10 DKEE COc1ccc(S[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)cc1 222251519 YNZFRVOSMZLQCH-CPUCHLNUSA-N 303.471 5.142 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1F)c1cccc(Cl)c1Cl 235240769 RBKHSPKUYHETFF-SECBINFHSA-N 309.171 5.177 30 10 DKEE Cc1cc(C)c(NCCCCC(C)(C)C#N)c(Br)c1 235786499 KVZGFPUTFNJDRL-UHFFFAOYSA-N 323.278 5.198 30 10 DKEE O=[N+]([O-])c1cccc(C=Nc2ccc(NC3CCCCC3)cc2)c1 254789630 VRACEBKQLIQLST-UHFFFAOYSA-N 323.396 5.090 30 10 DKEE Cc1cccc(Nc2ccc(C#N)cc2Br)c1Cl 305955755 DPKHMFFVTCBLNX-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC1([C@H](C#N)Nc2cccc(Br)c2)CCCCCC1 394662051 ACIUKSMBAQYNBB-HNNXBMFYSA-N 321.262 5.114 30 10 DKEE C=CCCCCc1c(Br)cccc1Br 1930706791 NAZMJJONZSMJML-UHFFFAOYSA-N 318.052 5.110 30 10 DKEE CCCC#CC[C@@H](NCC)c1ccccc1OCc1ccccc1 2024352475 VBEVQRYRSWKZMO-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(Br)co1 2049661926 IUTPAQSWIDBTSQ-AWEZNQCLSA-N 316.283 5.573 30 10 DKEE CCCCCCCCN1CCCc2ccc(Br)cc21 2088908506 ZRZYZUVJGWRRJR-UHFFFAOYSA-N 324.306 5.562 30 10 DKEE C=CCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2123080019 JIYUJQIBHCCDJF-CQSZACIVSA-N 300.273 5.260 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2136610943 DNGUNWODCPGZRP-BONVTDFDSA-N 320.691 5.900 30 10 DKEE C=CCCCCCCC[C@H](NC)c1ccccc1Br 2141908098 LCFVYXPZOFYMSC-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1cccc(Cl)c1Cl)C1CC1 2196852867 DVPFKUJLCOLXSO-CJNGLKHVSA-N 310.268 5.084 30 10 DKEE N#Cc1c(F)cccc1Nc1cc(Cl)c(F)c(Cl)c1F 2200730373 NUTKFNFLGLASCN-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=C1CCC(C[C@H](N)c2ccc(-c3cccs3)s2)CC1 2205885063 DRLBMFABJQTZJJ-AWEZNQCLSA-N 303.496 5.613 30 10 DKEE C=CC1(CC(=O)c2sc(C)c(Br)c2C)CCC1 2213767545 QSDKZIMDTOVJKD-UHFFFAOYSA-N 313.260 5.057 30 10 DKEE Cc1cc(Cl)cc(Oc2cccc(Br)c2C#N)c1 2223403839 QIWBUIGVINGDGQ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C#CCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2234039447 BHPYJCUYQKDAIZ-INIZCTEOSA-N 312.284 5.098 30 10 DKEE CC#CCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2234044231 SXJIPOXFYHEFMX-INIZCTEOSA-N 312.284 5.098 30 10 DKEE Cc1cc(Cl)cc([C@H](C)Nc2cc(Cl)ccc2C#N)c1 2237994281 FCZFIEBPEBIFAU-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=C(C)CCCC[S@@](=N)(=O)c1ccc(Cl)cc1Cl 2259176449 NPGCFSZZVPUICW-GOSISDBHSA-N 306.258 5.145 30 10 DKEE CO[C@H](CSCC1(CS)CCCCCC1)C1CCCC1 2284027423 KKMFOKAZLCFQFY-MRXNPFEDSA-N 316.576 5.195 30 10 DKEE C=CCCCCCC[C@H](OCCCN)c1ccc(Cl)s1 2294002427 CGDMCOMDBWZQDB-AWEZNQCLSA-N 315.910 5.335 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1scc(Br)c1C 2304046306 PBIWYFLSQLBBOB-ZIAGYGMSSA-N 316.308 5.072 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](CC)c1ccc(Cl)cc1Cl 2362234207 FVVVIGJAFLFBAL-JLZZUVOBSA-N 312.284 5.779 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2370485476 FJUZYMXIWFMRLD-WBMJQRKESA-N 314.300 5.425 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2370605080 XWOOHNQCRHORGD-KBPBESRZSA-N 306.755 5.385 30 10 DKEE O=C1/C(=C\c2ccc3ccccc3c2)CSc2ccccc21 1043761 SNJOBXKJBZNHTE-ATVHPVEESA-N 302.398 5.212 30 10 DKEE N#Cc1cc(NCc2ccc(Cl)c(Cl)c2)ccc1Cl 35224463 XREBZKBESPXZNS-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 37345356 ZHJPPKMHYGMCFS-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE CCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C 86051856 RWYXKEHTWYHXNK-UHFFFAOYSA-N 308.462 5.202 30 10 DKEE Cc1cccc(Cl)c1Nc1ccc(C#N)c(C(F)(F)F)c1 90537816 XWRRJAUBFJZMQL-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCC[P+](CCCC)(CCCC)Cc1ccc(C)cc1C 95704775 RFYPVJDJMSZHLY-UHFFFAOYSA-N 321.509 7.221 30 10 DKEE SCCCCCCCCCSc1ncccc1Cl 97800152 YHZXOQMOQBCLAV-UHFFFAOYSA-N 303.924 5.488 30 10 DKEE CCCCCCCCNCc1ccc(OCCCCCC)cc1 100048982 FBBPAIRRXZHQEQ-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE CCCCCCCCCC[C@@H](O)CSc1cccc(F)c1 116702505 VVCLRQXZMNOLEB-QGZVFWFLSA-N 312.494 5.810 30 10 DKEE CCCCCCCCCCNc1ccc(Cl)cc1[N+](=O)[O-] 129401481 KSYHCQCUKXEFDG-UHFFFAOYSA-N 312.841 5.801 30 10 DKEE CCCCCCCCNCc1c(Cl)ccc(Cl)c1Cl 160779490 HAALCUWRTHFNLW-UHFFFAOYSA-N 322.707 6.097 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1 162334520 MDCSYWKHUGUDDK-QGZVFWFLSA-N 316.316 6.524 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1ccc(Cl)s1 168719491 INTLAYRUDQXJBA-HNNXBMFYSA-N 316.938 6.226 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1ccc(Cl)c2cccnc12 227861679 FUXGPEHFPPKAPZ-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(Br)s1 233607990 GLNVAELDJRPPAO-GFCCVEGCSA-N 316.308 5.298 30 10 DKEE CCCCCCCC(=O)c1ccccc1OCc1ccccc1 309982081 VOIJIHUINZKJDS-UHFFFAOYSA-N 310.437 5.809 30 10 DKEE CCCCCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 405977632 YIFIFLZFVBIRBF-CQSZACIVSA-N 307.787 5.719 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 695964614 ZCBXXEAWICNQHS-OAHLLOKOSA-N 318.288 5.750 30 10 DKEE N#CC1(CCc2ccc(Br)cn2)CCCCCCC1 696199869 WDGFBPFHJMKXOQ-UHFFFAOYSA-N 321.262 5.031 30 10 DKEE CC/C(=N\OCc1cc(Cl)ccc1F)c1ccc(F)c(C)c1 821225410 CVZDZYOTUOYYNV-HEHNFIMWSA-N 323.770 5.258 30 10 DKEE CCCCCCCCNC(=O)c1ccccc1C1CCCC1 1866230124 VRKFHWCXOIUPOH-UHFFFAOYSA-N 301.474 5.435 30 10 DKEE C=C(C)Cn1c([C@H]2C[C@H]2c2ccccc2Cl)nc2ccccc21 1873515050 DWABDDPNNOJWDY-HOTGVXAUSA-N 322.839 5.537 30 10 DKEE C#C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1880085867 WSHNXXRZYGCOET-HSZRJFAPSA-N 311.428 5.063 30 10 DKEE CCCCCCCCC(=O)c1cc(C)c(Br)o1 1917585185 DETRLSVDEDUXJK-UHFFFAOYSA-N 301.224 5.284 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ccc(Br)o1 1919986614 JAWZSLUXVPVQMV-OAHLLOKOSA-N 317.267 5.390 30 10 DKEE CCCCCCCCC[C@@H](N)[C@](C)(O)c1ccc(Cl)s1 1920282286 BKBVCBCBAODKGC-CJNGLKHVSA-N 317.926 5.077 30 10 DKEE C=C(F)C[C@H](NCCC)c1cccc(Cl)c1Br 2011364290 OEFCDQGNLAPNFF-LBPRGKRZSA-N 320.633 5.017 30 10 DKEE C=CCCC[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107942738 KBGSTQGENFISAL-ZDUSSCGKSA-N 320.691 6.044 30 10 DKEE C=C(C[C@H](NCCC)c1ccccc1Br)C(C)(C)C 2113422513 QSAQEPYWKCDWGH-INIZCTEOSA-N 324.306 5.482 30 10 DKEE C=C(C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl)OC 2114552836 IFGJGLUUPFEGIB-GFCCVEGCSA-N 322.663 5.238 30 10 DKEE CCC1(C)CCC(Nc2cc(Br)cc(C#N)c2)CC1 2114980164 SJFXZQREDALPTN-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146760512 ZKBHUPAEQKXDSE-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](NCC)c1csc(Cl)c1 2154437217 TZIQLHGFNISNKW-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE C=C(F)C[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2182511681 IPENPQMAXOHIMN-CQSZACIVSA-N 309.837 5.592 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)C(C)(C)C(F)(F)F 2193199921 GZTAAMZGDUEANQ-NSHDSACASA-N 303.393 5.354 30 10 DKEE C=C([C@@H](NC)c1scc(Br)c1Cl)C(C)(C)C 2242661305 OHXQFLDGDWBGMS-SNVBAGLBSA-N 322.699 5.027 30 10 DKEE C=CCCCC[C@H](N)c1cc(Br)cc(C(C)C)c1 2254718412 GMNFKLSKPBOFJH-INIZCTEOSA-N 310.279 5.319 30 10 DKEE C=CCCCCCCCSc1ccc([C@@H](C)N)cc1Cl 2287077020 UXIYXPQWDPCPCW-CQSZACIVSA-N 311.922 5.978 30 10 DKEE C=CCCCCCC[C@@H](OCCN)c1cc(Cl)sc1C 2294005682 GGDQXWQRPYKHLH-OAHLLOKOSA-N 315.910 5.253 30 10 DKEE CCCCCCC[C@@](C)(OCCCN)c1csc(Cl)c1 2294240755 UOGGAGDOMUKLSE-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE O=C(C=Cc1ccccc1)c1cc(Cl)cc(Cl)c1Cl 2297630847 FGZWCQSLTHFZAD-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE CCC(=NOCc1ccccc1C)c1ccc(C(C)(C)C)cc1 2330263364 KUKQGONSBGOTGZ-UHFFFAOYSA-N 309.453 5.623 30 10 DKEE CCc1ccc(C(=NOCc2cccc(Cl)c2)C2CC2)cc1 2330301284 KLNUHGFVSGEWGK-UHFFFAOYSA-N 313.828 5.233 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)Cc1ccc(Cl)c(Cl)c1C 2344465234 MQGJEFNPQOKDAL-ZBFHGGJFSA-N 301.257 5.198 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(F)c(Cl)cc1Cl 2349855512 SYSJAYZIJNMDKC-HNNXBMFYSA-N 304.236 5.659 30 10 DKEE Cc1c(CC2(C#N)CCC(F)(F)CC2)ccc(Cl)c1Cl 2364002061 OQJBXHSUUHEALE-UHFFFAOYSA-N 318.194 5.564 30 10 DKEE C=CCC[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2366839179 YQAHZCDCRMIINX-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE Cc1ccsc1/C=C1/C(=O)c2ccccc2[C@H]1c1ccccc1 1383504 RBZTXSSTTRDXMK-ITICKHJUSA-N 316.425 5.468 30 10 DKEE C[C@H](Nc1ccc(F)c(C#N)c1)c1cc(Cl)ccc1Cl 109947659 YSNYLKQZUGLZMS-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1[C@@H](C)NCC 110096519 FFMVVIPCWGEBHH-OAHLLOKOSA-N 311.897 5.750 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Cl)c2cccnc12 166611533 VCJRRYQSYBOQDC-KRWDZBQOSA-N 305.849 5.672 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cccc(C)c1Br 233609245 QWLBCDRQQCDDRO-MRXNPFEDSA-N 324.306 5.545 30 10 DKEE C[C@H](Nc1ccc(CC#N)cc1)c1cc(Cl)sc1Cl 235548726 BBEAPOHUMCLWFX-VIFPVBQESA-N 311.237 5.294 30 10 DKEE C=CCCCCC[C@@H](N)c1cc2cccc(Br)c2o1 236316492 KORWSWJTEUSMGN-CQSZACIVSA-N 322.246 5.332 30 10 DKEE Cc1csc(S[C@@H]2C[C@H](c3ccccc3)CC[C@H]2C#N)n1 252435102 IAOZYIWKYLRCNL-OWCLPIDISA-N 314.479 5.020 30 10 DKEE CCCCCCCCC(=NO)c1ccc(OCCCC)cc1O 254623881 LRVKJQSEXHEZLB-UHFFFAOYSA-N 321.461 5.500 30 10 DKEE CCCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 384393972 BZYIRKLPBUYFRD-SLFFLAALSA-N 312.501 5.253 30 10 DKEE CCCCCCC[C@H](C)NCc1ccsc1Br 388561594 MRTMBFNFDJSBER-LBPRGKRZSA-N 318.324 5.349 30 10 DKEE C=CCSc1ccccc1NCc1ccc(C)cc1Cl 404662132 RVJZYXHDXULRRW-UHFFFAOYSA-N 303.858 5.539 30 10 DKEE C=C1CCC(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 724451512 NLBKEZRBRATLPE-LLVKDONJSA-N 316.247 5.530 30 10 DKEE C=C1CCC(CSc2ccc(C(F)(F)F)cc2N)CC1 724559249 JDPXIRJOLAPXKV-UHFFFAOYSA-N 301.377 5.126 30 10 DKEE CCCCCCCCCCCCOC(=O)N[C@@H]1C[C@H]2C=C[C@H]1C2 1614722439 ZHEVJHHNIVIDAZ-GBESFXJTSA-N 321.505 5.598 30 10 DKEE CCCCCCCCNC(=O)c1cc2cccc(Cl)c2s1 1874052943 ZGQPNFNIJMMIEX-UHFFFAOYSA-N 323.889 5.645 30 10 DKEE C=CCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1C 1888161756 BSXAQWZNQZXNMV-UHFFFAOYSA-N 320.263 5.490 30 10 DKEE C=CCC(C)(C)Nc1cc(Br)ccc1C(F)(F)F 1913966606 FDNKHCLTNKCYOE-UHFFFAOYSA-N 322.168 5.235 30 10 DKEE SC[C@@H](CSc1cc(Cl)cc(Cl)c1)C1CCC1 1942150325 PTJJORUUKIBBSS-JTQLQIEISA-N 307.311 5.432 30 10 DKEE C=CCCCCC(=O)c1cc(Cl)ccc1Br 1984521909 OKISHGDINCVVIB-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE CC[C@](C=O)(CN(Cc1ccccc1)[C@H](C)C(C)(C)C)C(C)C 1988766031 YPOYUFXXRXNZGX-WIYYLYMNSA-N 317.517 5.175 30 10 DKEE C=CCCCCCCCCCN1CC(OCc2ccccc2)C1 1995315886 JSBOJBHUKCNNDH-UHFFFAOYSA-N 315.501 5.194 30 10 DKEE CCCC[C@@](C)(C=O)Cc1ccc(Cl)c(Br)c1 2001877632 YQSFDCZTSQNJOT-CQSZACIVSA-N 317.654 5.040 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc(Cl)c(Cl)s2)C1 2061736188 CUXVUGUVTMWRDS-LBPRGKRZSA-N 304.286 5.452 30 10 DKEE CC(C)(C)c1nn([C@@H](C(C)(C)C)C2(C)CC2)c(Cl)c1C#N 2079848808 NLADAUWSGIEBLB-AWEZNQCLSA-N 307.869 5.093 30 10 DKEE CCCCCCC[C@@H](NC)[C@H](O)c1cc(Cl)sc1Cl 2092178781 CVVCACVDUKCKKQ-DGCLKSJQSA-N 324.317 5.037 30 10 DKEE CCCCCCCCCC(=O)c1nn(C)c(Cl)c1Cl 2094349275 WUHSTHRWIZJNNJ-UHFFFAOYSA-N 305.249 5.050 30 10 DKEE C=C1CCC(N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 2101211101 BVSNHXSSEJUBAH-JTQLQIEISA-N 302.220 5.282 30 10 DKEE Cc1cccc(C[C@@]2(C=O)CCCC(C)(C)C2)c1Br 2112215752 WRJZBHRZPYRZIC-KRWDZBQOSA-N 323.274 5.086 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cccc(F)c2Br)C1 2112240854 XJBCIIOOCRRAMV-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(Br)c(C)c1 2123089435 SHCVDTQMBKNAIQ-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CC[C@H](C)[C@@H]1CSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 2136524107 CVGAUPZGWLSCGU-SDBXPKJASA-N 317.285 5.040 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2)CC1 2157098939 JANRYOXUSPGCNZ-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE CCCC[C@@](C#N)(CC)CCc1c(C)nc(Cl)nc1Cl 2164476514 ZXHUARMIUGFKSI-HNNXBMFYSA-N 314.260 5.135 30 10 DKEE CCC[C@H](N=C1N[C@@H](c2ccsc2)CS1)c1cccs1 2175634529 QYWDYSIUGISRFG-QWHCGFSZSA-N 322.524 5.085 30 10 DKEE CC#CCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2194067144 OESCCQVLYHWDAO-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE C=CCCCCCC[C@H](NCCC)C(F)(F)C(F)(F)F 2206897265 ARHBSUQUUCBNGB-LBPRGKRZSA-N 301.343 5.079 30 10 DKEE C=CCCCCCCCCNCCC(F)(F)C(F)(F)F 2207427720 PHMYFBZDAYYFSW-UHFFFAOYSA-N 301.343 5.080 30 10 DKEE C=CCCCCCCCC(=O)c1cscc1C(F)(F)F 2235537183 ANPCAEMEPBBDON-UHFFFAOYSA-N 304.377 5.866 30 10 DKEE CCCCCCCC(=O)[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2237889332 FGFIKGOTZVAILS-INIZCTEOSA-N 317.256 5.131 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1occc1Br 2263666811 UAEGURDEFASYRI-OAHLLOKOSA-N 316.283 5.357 30 10 DKEE CC[C@]1(C)CCSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277453985 JNGJUEYJTWJJNF-CQSZACIVSA-N 317.285 5.185 30 10 DKEE C=CCCCCCCCSc1ncc(C[C@@H](N)CC)s1 2287090172 OTMJYKKNWMZERI-AWEZNQCLSA-N 312.548 5.042 30 10 DKEE C=CCCCCCCC[C@H](OCCN)c1csc(Cl)c1 2292652592 LHEHFGMFYVNKIM-HNNXBMFYSA-N 315.910 5.335 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Br)c(O)c1 2321056254 QQQXPZAFQTWSPB-LBPRGKRZSA-N 314.267 5.316 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2339151696 ACVNCKZYIWPOTE-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE C=CCC(CC=C)SC[C@H](NCCC)c1ccc(C)s1 2360205495 NJMRXCHEMALEKU-INIZCTEOSA-N 309.544 5.351 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H]1CCSc2ccc(Cl)cc21 2362239177 KZOZBWTTWUAPFW-UHOFOFEASA-N 307.890 5.211 30 10 DKEE CCCN[C@@H](C#CC1CCC1)c1ccc(Cl)c(Cl)c1C 2364551282 ODVZAVDMZYGQPT-INIZCTEOSA-N 310.268 5.146 30 10 DKEE Cc1cc(C)c(C#N)c(N[C@@H](C)c2ccc(Cl)cc2Cl)n1 35121564 SZANEWONESMMBP-NSHDSACASA-N 320.223 5.050 30 10 DKEE CSc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1 37333853 JLQZUVORTVDYFD-UHFFFAOYSA-N 308.328 5.043 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1Br 59134389 OXYWBTXYVDBQGI-AWEZNQCLSA-N 312.295 5.460 30 10 DKEE N#Cc1ccc2c3cccc4c(C#N)ccc(c5cccc1c52)c43 59449948 OMXBVTSQEJRZKI-UHFFFAOYSA-N 302.336 5.481 30 10 DKEE CCCCCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 100168537 DFUKWZHKGUZCPZ-UHFFFAOYSA-N 322.663 5.946 30 10 DKEE CC[C@@H]1O[C@H]1C[C@@H](C)c1ccc(OCc2ccccc2)cc1C 107616926 SABWAAOQPPUEAV-CZAAIQMYSA-N 310.437 5.245 30 10 DKEE CCCCCCCCCCCCOc1ccsc1C(=O)O 109972523 AUMSJWOZKYYMGM-UHFFFAOYSA-N 312.475 5.746 30 10 DKEE CCCCCCCCCCCCn1ccc(C(F)(F)F)n1 129168997 QRWISJKMTOTHMZ-UHFFFAOYSA-N 304.400 5.823 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1sccc1CC 157919274 IPGHJQJORDXADN-SFHVURJKSA-N 309.563 6.492 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(C(C)(C)C)s1 165469372 CPJQDZKGIUKRLQ-INIZCTEOSA-N 309.563 6.447 30 10 DKEE CCCCCCCCCCNc1cc(Cl)c(O)c(Cl)c1 232919834 DKGHFKOZMHUIFR-UHFFFAOYSA-N 318.288 6.252 30 10 DKEE Cc1ccc(C=Nc2ccccc2Sc2c(C)n[nH]c2C)cc1 252604345 FYXMQJHUYVZULP-UHFFFAOYSA-N 321.449 5.237 30 10 DKEE C(=Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 254384289 SJXWWYIQRJACGK-UHFFFAOYSA-N 323.399 5.290 30 10 DKEE Cc1cc(C#N)cc(N[C@H](C)c2cccc(Cl)c2Cl)c1 308122978 QHHYZLFYHAHLAW-LLVKDONJSA-N 305.208 5.347 30 10 DKEE Fc1cccc(C(F)(F)F)c1-c1ccc(C(F)(F)F)cc1 514260390 PUSJNYHEICFUNM-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE N#Cc1c(F)c(F)c(-c2cc(Cl)ccc2Cl)c(F)c1F 514260886 WQNIMJKIWANYNT-UHFFFAOYSA-N 320.072 5.088 30 10 DKEE CCCCCCCNc1ccc(F)c(Br)c1F 691797556 CDFXBRWUBFFYRN-UHFFFAOYSA-N 306.194 5.110 30 10 DKEE Cc1ccccc1N=Cc1ccc(N2Cc3ccccc3C2)cc1 1084091163 KAXFOQSPXIMWLO-UHFFFAOYSA-N 312.416 5.266 30 10 DKEE CC(C)Cc1ccc(C#Cc2ccc(Cl)cc2Cl)cc1 1614827223 QRYNZLAIQDANJW-UHFFFAOYSA-N 303.232 5.592 30 10 DKEE CC(C)Cc1ccc(C#Cc2cccc(Br)c2)cc1 1614827332 VHPSPJMZXKXEEK-UHFFFAOYSA-N 313.238 5.047 30 10 DKEE CCCCCCCCNC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 1859454332 ONUQYCXVGVCTJN-KRWDZBQOSA-N 319.489 5.054 30 10 DKEE C=CCC[C@@H](C)[C@H](N)c1cc(Cl)c(C)cc1Br 1996474457 PINAENPXLDZYQI-OTYXRUKQSA-N 316.670 5.013 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(Cl)cc1Br 2007990526 KACFHKIQVFCNOH-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(Cl)c(Br)c2)CC1 2010599145 ADOAJQZTAAWIIQ-SECBINFHSA-N 313.622 5.032 30 10 DKEE C=CCCN(Cc1ccccc1)c1cc(C)ccc1CNCCC 2013171629 AZPPHSQQKRKTMB-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE C=C1CCC(C[C@H](NC)c2scc(Cl)c2Cl)CC1 2035097863 QAGVKAACWPKUSF-LBPRGKRZSA-N 304.286 5.452 30 10 DKEE Cc1ccc(Oc2cccc(Br)c2Cl)c(C#N)c1 2040196938 RFVVOAKLJOSKFD-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(C)cc1Br 2040528268 BNMMGRKQJDEHDC-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cccc(Br)c1 2040530484 RCDXYGOHEULISO-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1cc(C)ccc1C 2070135299 VKZBPDQSCFDLKA-KRWDZBQOSA-N 306.453 5.138 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](CC)c1ccc(C)c(C)c1 2070169123 OSFITRYVMVBNGZ-OAQYLSRUSA-N 306.453 5.138 30 10 DKEE CCCCCCC[C@H](NCC)c1sc(Cl)nc1Cl 2075809964 CREFKZIJYUTYOZ-JTQLQIEISA-N 309.306 5.461 30 10 DKEE C#CCn1c(O)c(N=Nc2ccc(Cl)cc2)c2ccccc21 2080630667 MSXAAKNFFCBUQI-UHFFFAOYSA-N 309.756 5.049 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(Cl)c(Cl)s1 2099898912 NVPPKIVZHVXQKJ-LBPRGKRZSA-N 323.333 5.700 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2200838998 GYNBJOJXGWZVPX-CQSZACIVSA-N 307.787 5.719 30 10 DKEE CN(CCCCC(C)(C)C#N)Cc1cc2sccc2s1 2205548722 NKQGPLQWVPMUAE-UHFFFAOYSA-N 306.500 5.115 30 10 DKEE C=CCCCCCCC(=O)COc1ccc(Cl)cc1Cl 2206897145 LOAKXRWHLOAAEP-UHFFFAOYSA-N 315.240 5.468 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@@H](C)S1 2207415107 QTICILYYSYIIKE-INMHGKMJSA-N 314.560 5.488 30 10 DKEE CCC(CC)(CS)COCc1ccc(Cl)cc1Cl 2223387885 YQKGJZNNWJKXHW-UHFFFAOYSA-N 307.286 5.246 30 10 DKEE CCCCCCCC(=O)CC(=O)c1cc(Cl)cc(Cl)c1 2237890419 OZTQCLDZQKUDJD-UHFFFAOYSA-N 315.240 5.496 30 10 DKEE Cc1ccc(Sc2ccc(Br)cc2C)c(C#N)c1 2256881872 BZVPEQMURBLOBP-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE C=CCCCSC[C@H](NCC)c1ccc(Cl)cc1Cl 2271503618 UJIIVMOHVPIMPX-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2289713878 SOGJKTMUQVVQGG-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE SCCCCCCCSc1nc(-c2ccccc2)cs1 2294775328 WYOCQUBGGBZVFL-UHFFFAOYSA-N 323.552 5.783 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@H](C)c1ccc(Cl)s1 2295684031 HPBLUHSLFWENOM-HUUCEWRRSA-N 315.954 6.581 30 10 DKEE C=CCC(CC=C)N[C@@H](CC)c1ccc(Br)cc1 2313649873 BNDHTUQCISNUDX-INIZCTEOSA-N 308.263 5.011 30 10 DKEE C=CCCCCCCCCNc1ccc(Cl)c(C)c1Cl 2365664866 JTTXNGUMYJTRPE-UHFFFAOYSA-N 314.300 6.630 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 14460223 DQTYJLYAOJCRSC-BXWFABGCSA-N 306.796 5.038 30 10 DKEE Cc1csc(S[C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2C#N)n1 37155788 IAOZYIWKYLRCNL-ARFHVFGLSA-N 314.479 5.020 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)c1ccc(C)s1 122714016 IJFDXZLQNZBTPN-QGZVFWFLSA-N 310.551 5.872 30 10 DKEE CCCCCCCCCCNc1ccc(Cl)cc1C(=O)O 129379946 NOFSLBLIIIJHOP-UHFFFAOYSA-N 311.853 5.591 30 10 DKEE CCSc1cccc(N2CCC(CC)(CC)CC2)c1C#N 136662768 YHIJMSRVDONZRI-UHFFFAOYSA-N 302.487 5.077 30 10 DKEE CSc1cccc(Oc2c(C)cc(Cl)cc2C)c1C#N 136702668 VKYXEGRYOUCNEM-UHFFFAOYSA-N 303.814 5.343 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(F)c(C(F)(F)F)c1 163783872 RAIZAMVEQJYTDU-HNNXBMFYSA-N 306.343 5.629 30 10 DKEE Cc1cc(C#N)ccc1Oc1ccc(Cl)cc1Br 203438589 MQYPGWIXPIFHBI-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCCCC(=O)NOCc1ccccc1 205277686 FNNKDNRJIYDCJS-UHFFFAOYSA-N 305.462 5.155 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(Cl)ccc1Cl 229274184 GKSYZLMTNQEQME-KRWDZBQOSA-N 317.300 6.558 30 10 DKEE Cc1csc(S[C@@H]2C[C@@H](c3ccccc3)CC[C@H]2C#N)n1 252435101 IAOZYIWKYLRCNL-HRCADAONSA-N 314.479 5.020 30 10 DKEE CC[C@@H]1CCCCC[C@]1(C#N)Nc1ccccc1Br 691072756 DCIXGQATXGPFTG-CZUORRHYSA-N 321.262 5.114 30 10 DKEE CCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698482734 FYJIUMGWIYNREA-MAUKXSAKSA-N 310.482 5.275 30 10 DKEE C=C1CCC(C[C@H](N)c2cc(C)c(Br)c(C)c2)CC1 724550732 ZSEKQAFDWPVVJT-INIZCTEOSA-N 322.290 5.202 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1ccccc1OCc1ccccc1 1901011313 PZMXSJIWAZXKMS-OAQYLSRUSA-N 307.437 5.034 30 10 DKEE CC1(C)OB(C[C@H](c2ccccc2)C2CCCC2)OC1(C)C 1902514569 XARMITGSDXTRIL-QGZVFWFLSA-N 300.251 5.053 30 10 DKEE C=C([C@H](NC)c1cc(C(F)(F)F)ccc1Cl)[Si](C)(C)C 1923038582 CDWDYLSFZCEGAA-ZDUSSCGKSA-N 321.846 5.053 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@@H](CS)C(C)(C)C)C(C)(C)C 1931998882 QREIMWBQXZRMNU-WMZOPIPTSA-N 321.574 5.515 30 10 DKEE C=CCCCCNc1cc(Br)c(Cl)cc1F 1984514493 BVWQXBWXWBHINY-UHFFFAOYSA-N 306.606 5.010 30 10 DKEE CC[C@@H](c1ccc(C)cc1)n1nc(C(C)(C)C)c(C#N)c1Cl 2079034562 OJMNJTGYTVKKFN-HNNXBMFYSA-N 315.848 5.014 30 10 DKEE CC[C@@H](C)[C@@H]1CSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 2136524106 CVGAUPZGWLSCGU-OQPBUACISA-N 317.285 5.040 30 10 DKEE C=C([C@@H](CSc1ccc(Cl)cc1)NCCC)C(C)(C)C 2152926401 PXAYOTKIFFTEOP-MRXNPFEDSA-N 311.922 5.403 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 2158329415 WNJMJHMBABAQJW-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1ccccc1Cl 2184461157 WEWFBYODCXIBMF-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCCCCCCCNCc1cccc(Cl)c1Cl 2227290699 JPDSAXPMVYTRGN-UHFFFAOYSA-N 300.273 5.610 30 10 DKEE CCCCCCCC[C@H](C)NCCc1ccc(Cl)s1 2231922950 HUCYDVQNJRHFND-AWEZNQCLSA-N 301.927 5.673 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c(C(=O)O)s1 2271489189 PYUHWVTZKFHCAI-UHFFFAOYSA-N 319.879 5.113 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)c2ccc(Br)c(F)c2)C1 2271530947 XBTIUGZAMWUEMY-UVLXDEKHSA-N 324.237 5.268 30 10 DKEE C=CCCCSc1c([C@H](C)NCC)ccc(Cl)c1F 2271587211 UIKSQZAEUVKTFM-NSHDSACASA-N 301.858 5.208 30 10 DKEE C=CCCCCCCC(=O)c1cc(Cl)c(OC)cc1Cl 2281579281 NJXPIWSBCCKFRI-UHFFFAOYSA-N 315.240 5.711 30 10 DKEE C=CCCCCCCCSc1ccc([C@H](C)N)cc1Cl 2287077019 UXIYXPQWDPCPCW-AWEZNQCLSA-N 311.922 5.978 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cccc(Br)c1 2321134068 LJUZUYUPOMCIBP-HOTGVXAUSA-N 310.279 5.092 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(Br)cc1C 2344370258 ABEQOVZSKBGUGQ-SJORKVTESA-N 324.306 5.401 30 10 DKEE Oc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(F)cc2)o1 220240 SICNOJYBGRITJI-KEBDBYFISA-N 315.731 5.195 30 10 DKEE CC[C@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)c(Cl)c1 37301843 PCUJMEJWMKYMGU-KRWDZBQOSA-N 319.235 5.623 30 10 DKEE Fc1ccc(OCCCCCCCCCS)c(Cl)c1 97799626 PMCHZMACRJUEPV-UHFFFAOYSA-N 304.858 5.518 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Br)s1 109322357 QZTIHZSBZQQDAV-LLVKDONJSA-N 304.297 5.132 30 10 DKEE CCCCCCCCC[C@@H](N)c1cccc(Br)c1 109718846 IHJFFPYZMQKSIW-MRXNPFEDSA-N 312.295 5.590 30 10 DKEE CCCCCCCCCCCCNCc1ccc(Cl)s1 112722583 KLEYIFAAWKKBGA-UHFFFAOYSA-N 315.954 6.412 30 10 DKEE CCCCCCCCSc1ccc(N)cc1Br 126290165 PKRWRIMQSQEVKC-UHFFFAOYSA-N 316.308 5.484 30 10 DKEE CCCCCCC[C@H](Cc1sccc1Br)NC 163186890 OVPIZGMJCJUOIY-GFCCVEGCSA-N 318.324 5.002 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1cccc(Cl)c1F 213686059 LCEMYECALGAEBE-OAHLLOKOSA-N 300.845 5.523 30 10 DKEE Cc1cccc(C#N)c1Oc1ccc(Br)cc1Cl 221140400 ZPDAHPSPBQIIBQ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC(=O)/C(C)=C/c1ccc(-c2cccc(Br)c2)s1 231746011 KQHHLRYHYWCAKP-CSKARUKUSA-N 321.239 5.170 30 10 DKEE C(C=Nc1cccc2ccccc12)=Nc1cccc2ccccc12 252596231 CHLPEQPPBBQBRO-UHFFFAOYSA-N 308.384 6.098 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 300113063 XUUGCORWNDCFKF-YCPHGPKFSA-N 302.549 5.322 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2cc(Br)ccc2C)C1 317256954 FEDICLFKZBOJHV-WMLDXEAASA-N 323.274 5.086 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1cc(Cl)ccc1Cl 387417702 FECBIBNQUXFKPI-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1ccc(Br)o1 393533965 OJHRPABZJSSSEB-CYBMUJFWSA-N 317.267 5.086 30 10 DKEE CCCCCCCC[C@@H](Cc1ccsc1Cl)NCC 687927159 SVFPOWPPSATQES-HNNXBMFYSA-N 301.927 5.673 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2cccc(Cl)c21 692191430 QTBADMOTLOBVCL-FZMZJTMJSA-N 306.862 5.286 30 10 DKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@@H](C#N)C(C)(C)C 698922584 ZIKGIYHFQFMKET-AWEZNQCLSA-N 322.836 5.020 30 10 DKEE CCCCCCCn1c(S)nc2cc(Cl)c(F)cc21 703735871 UIIVIZQZCAATRX-UHFFFAOYSA-N 300.830 5.088 30 10 DKEE CCCCCCCCCC[C@H](O)C1CCC(SC)CC1 720477143 PTRYURPGGXRKCM-ABHNRTSZSA-N 300.552 5.800 30 10 DKEE Fc1cccc(F)c1C#Cc1cc(C(F)(F)F)ccc1Cl 1614826885 WGBWOWMXRDHYLK-UHFFFAOYSA-N 316.656 5.037 30 10 DKEE CCCCCCCCCCCC(=O)N1CCn2cccc2[C@@H]1C 1866332029 DGLJOIRKPJDZRK-SFHVURJKSA-N 318.505 5.312 30 10 DKEE C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccc2Cl)nc2ccccc21 1873515055 DWABDDPNNOJWDY-JKSUJKDBSA-N 322.839 5.537 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](NCC)c1cscc1Cl 1921151008 JVVLFGHTXTXKMD-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@@H](C)NCCC)cc1 2013173929 KKVRZCYWTSJFEG-LJQANCHMSA-N 322.496 5.330 30 10 DKEE O=C(C=CNc1ccc(Cl)cc1)c1ccc2ccccc2c1 2038162717 NAGIYBJTVAKIAT-UHFFFAOYSA-N 307.780 5.302 30 10 DKEE N#CC1(CSc2ccc(Cl)c(Cl)c2)CCCCC1 2047532160 CUVGBEHSQFSZGC-UHFFFAOYSA-N 300.254 5.560 30 10 DKEE CCCOc1ccc(C=C2CCc3c(C)cc(C)cc3C2=O)cc1 2053612855 RICMKMSUAPJVEP-UHFFFAOYSA-N 320.432 5.305 30 10 DKEE CCc1cc(OC(F)(F)F)cc(C(F)F)c1C(F)(F)F 2060347886 NTUYMQUKVFJXSE-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CC[C@](C)(NCc1cc(Cl)c(Cl)s1)C(F)(F)F 2061763410 NDMBREAYWYUZTO-JTQLQIEISA-N 318.191 5.042 30 10 DKEE CC(C)(Nc1ccc(C#N)cc1Br)C1CCCCC1 2094160861 LYSJLDXNNQAMFP-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@H](NCCC)c1scnc1Cl 2108006589 NTFWZVGLJDFBEH-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1c(Cl)cccc1Cl 2148591351 XIQIPOGYPUVPND-GDBMZVCRSA-N 318.288 5.105 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2149856240 VYOLAGPRBWMLED-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE C=CCC[C@@H](C)[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2158316910 URVVSJSFXKDNSH-SJKOYZFVSA-N 306.858 5.704 30 10 DKEE C#C[C@@H](N[C@H](CC)c1ccc(Cl)cc1Cl)C1CCCC1 2204043280 GHWFBZFHKUSZEV-IAGOWNOFSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCC(=O)[C@H]1SCCS[C@@H]1CC 2227280996 PVCADIJLLGPIEQ-HZPDHXFCSA-N 300.533 5.099 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(Br)cc1CC 2229191865 FEUTYUYSKXMZPT-SUMWQHHRSA-N 324.306 5.264 30 10 DKEE C=CCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2234035526 MKLAIIOMKVXNIF-INIZCTEOSA-N 314.300 5.651 30 10 DKEE CCCCCCCCCO[C@@H](c1ccc(Cl)s1)[C@H](C)N 2239487646 SAENHKDTQUXBIY-XJKSGUPXSA-N 317.926 5.557 30 10 DKEE C=CCCCCCCCSc1nc(Cl)ncc1Cl 2258981735 RSFDZCGUQNFFMO-UHFFFAOYSA-N 305.274 5.402 30 10 DKEE C=CCCC[C@H](C)NCc1cc(Br)cc(C(C)C)c1 2265966818 HNHOCNCCBUZGRV-AWEZNQCLSA-N 324.306 5.407 30 10 DKEE CCC(CC)(CS)CSC[C@H](OC)C1CCCCC1 2268699730 ZPIXIKNJXZFKGB-HNNXBMFYSA-N 304.565 5.051 30 10 DKEE CC(C)c1cc(Br)ccc1OCC#CC1CCCC1 2274164327 JJXFOEYAEISDHB-UHFFFAOYSA-N 321.258 5.145 30 10 DKEE CC(C)(C)C#CC=CCn1ccc2cc(Cl)c(Cl)cc21 2284088966 JSTOWXJWVMAZNK-UHFFFAOYSA-N 306.236 5.554 30 10 DKEE N#Cc1cccc(Br)c1Oc1ccc2ccccc2c1 2285219484 WVWJFYMHUBYHEH-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCOc1cc(Cl)sc1CN[C@H](C)CC 2288289277 CCDLLWCBSDZTHI-CYBMUJFWSA-N 317.926 5.639 30 10 DKEE CC(C)CC(CC(C)C)Oc1cc(Br)ccc1C#N 2335228521 YJBJPWRTPHXARN-UHFFFAOYSA-N 324.262 5.160 30 10 DKEE C=CC[C@@H](CNCC(C)C)Cc1cc(F)c(Cl)cc1Cl 2377395164 RTHGMFPEFUUSKU-GFCCVEGCSA-N 318.263 5.113 30 10 DKEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(C(C)C)cc2)C1 37154765 PPODESDLAOGLOD-VDZJLULYSA-N 301.499 6.011 30 10 DKEE Cc1ccc(Cl)c(/N=C2/N[C@@H](CC(C)C)CS2)c1Cl 40795399 MGHRAIJSZFOBPO-JTQLQIEISA-N 317.285 5.040 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1Cl 87759525 OUHMAAOXVGUURI-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCOc1ccc(OCC2(CS)CCCCCC2)cc1 94584223 TVSAYPDTVBIVON-UHFFFAOYSA-N 308.487 5.125 30 10 DKEE CCCCCCCCOc1ccc(CNCCCCCC)cc1 100048320 OFUAKAFAXCLDHE-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1cccc(Cl)c1 109901043 XENPZWZCUUBNTC-CYBMUJFWSA-N 303.858 5.791 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)[C@]1(C)CCCS1 143466781 SQWNZUQAUGGYMQ-MOPGFXCFSA-N 313.595 6.171 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccccc1SC 159041003 HKGJVSZTMOYGMN-GOSISDBHSA-N 307.547 6.200 30 10 DKEE CCCCCCCCCCCCOc1ccc(C=O)cc1Cl 204809136 NBJWSARBVCFWAS-UHFFFAOYSA-N 324.892 6.452 30 10 DKEE CCc1cc(Br)ccc1NCCCCC(C)(C)C#N 234115270 IETKLQREIQBGHR-UHFFFAOYSA-N 323.278 5.143 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(Cl)sc2Cl)C1 312690319 OORVMJKNTGDJPA-LQJRIPTKSA-N 318.269 5.198 30 10 DKEE CCCCCCCCC[C@@H](N)c1cscc1C(F)(F)F 383855048 WUNVHJIFDIMQAV-CQSZACIVSA-N 307.425 5.907 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 709120165 XBSVZVBYSCHZHL-MNOVXSKESA-N 312.240 5.242 30 10 DKEE Brc1ccc(C=Nc2ccc3ccccc3c2)s1 1084485231 DAVSEAKNKXTSQA-UHFFFAOYSA-N 316.223 5.414 30 10 DKEE CCCCCCCCCCNC(=O)Cc1ccc(CC)cc1 1859577473 BPOIYLGKCDTZLS-UHFFFAOYSA-N 303.490 5.048 30 10 DKEE CCCCCCOc1ccc(Nc2nc(C)cc(C)c2C#N)cc1 1859833270 KJNDTXCEZGFHND-UHFFFAOYSA-N 323.440 5.273 30 10 DKEE CC(C)c1ccc(Nc2nccc(-c3ccccc3)c2C#N)cc1 1859849807 IJWLKXINAAKWDG-UHFFFAOYSA-N 313.404 5.487 30 10 DKEE CCC[C@H](C#N)[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921059060 FYUYVXBSPJAVFL-WBMJQRKESA-N 305.830 5.042 30 10 DKEE CCCCCCCOCc1cc(Cl)cc(Br)c1 2001849123 QKRHVPYPPBSKKB-UHFFFAOYSA-N 319.670 5.590 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cscc1Br 2026015828 XCTLZMSKNWZKPG-AWEZNQCLSA-N 316.308 5.211 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)s1 2037473707 WGJDZZOATJJDJK-GFCCVEGCSA-N 309.302 6.229 30 10 DKEE CCCCCCCCCC(=O)c1cccnc1Br 2045560741 SIARLWFORVGARW-UHFFFAOYSA-N 312.251 5.168 30 10 DKEE Cc1ccc(C)c([C@H](C)n2nc(C3CCCCC3)cc2C#N)c1 2070099704 QYXQTFZLFGVBBY-INIZCTEOSA-N 307.441 5.029 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1ccc(CC)cc1 2070135783 ZMGBAWHYSOIHNN-JOCHJYFZSA-N 320.480 5.474 30 10 DKEE CCCCCCC[C@H](N)c1cc(F)c(Br)c(F)c1 2086137874 SGKZUINEGSCTBV-ZDUSSCGKSA-N 320.221 5.088 30 10 DKEE CCCCC[C@@H](CC)Oc1ccc(Br)cc1C#N 2086284223 FEAVLYPTZZVCFM-CQSZACIVSA-N 310.235 5.058 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1ccsc1Cl 2091006685 KMLWTKPPXUVKIE-AWEZNQCLSA-N 302.867 5.145 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1c(Cl)cccc1Cl)NCC 2102111637 NZNAYAHOFCAEGE-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CC1(C[C@H](NCC)c2ccc(Br)cc2C)CCC1 2111718601 KWYWIPFQNXZTMF-INIZCTEOSA-N 322.290 5.155 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccccc1Br 2142439354 AEIPKGWPLUIEAE-QGZVFWFLSA-N 324.306 5.756 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)ccc1OC(F)F 2164038455 FIATZEMKNVITNK-ZDUSSCGKSA-N 305.796 5.302 30 10 DKEE CC1(CC(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CCCC1 2168898062 VUTKNCMWDBYUGU-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2ccc(Cl)c(Cl)c2)CC1 2181673542 ODCLKZWFKWKCBL-ZDUSSCGKSA-N 311.252 5.949 30 10 DKEE CCCCCC#CC[C@@H](NC)c1cc(C(F)(F)F)cs1 2203809842 JIEIVNWWAHWBGL-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203957104 OKEVYCFGNBWHRQ-XHDPSFHLSA-N 312.240 5.386 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1cc(Cl)sc1C 2206893060 WUOSTWKRCUSXCA-INIZCTEOSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(C)c(Br)o1 2220084527 JXGIFIHTVGCXSU-ZDUSSCGKSA-N 315.251 5.301 30 10 DKEE CC(C)C(C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl)C(C)C 2234054609 VGNMSFSFSGKIKJ-CYBMUJFWSA-N 312.240 5.098 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1cc(Cl)ns1 2235513979 OYGGXOLTVNBZGE-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE C=CCCCCCCCC(=O)CSc1cccc(Cl)c1 2235525729 DAZLMBPUBLJZJD-UHFFFAOYSA-N 310.890 5.918 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(Cl)c(C)c1F 2240615979 LCXZIUUDVGRNQV-KRWDZBQOSA-N 300.845 5.746 30 10 DKEE CCCCCCCC[C@H](C)N[C@H]1CS[C@H](C(F)(F)F)C1 2240665517 DGQIHGZTTUKBTH-MJBXVCDLSA-N 311.457 5.152 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 2244640365 CYLULRKNBZWTPS-QGZVFWFLSA-N 319.445 5.204 30 10 DKEE FC1(F)CCCC[C@@H]1CSCCCCCCCCCS 2283148932 RCWFDAOCNYFUCQ-OAHLLOKOSA-N 324.546 6.206 30 10 DKEE CCOc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2293100626 DSSDTNJRWQHEEV-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=CCC(CC=C)SCc1ccc(Br)cc1F 2298916966 TYPFGWBEOIHZQY-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)c(Cl)cc1Cl 2321180236 QCUQSWMRMHTQFO-CQSZACIVSA-N 305.632 5.822 30 10 DKEE CCCC(CS)(CCC)CSC[C@]1(C)CCCOC1 2344967350 DISYJOZKEABFBU-OAHLLOKOSA-N 304.565 5.053 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(C(F)F)s1 2345161366 IPVBZOLNBMQJEW-NSHDSACASA-N 309.853 6.090 30 10 DKEE CS/C(=N\C#N)Sc1ccc(-c2ccccc2)c(Cl)c1 15443608 YTKYHGBCDFTRFL-OBGWFSINSA-N 318.854 5.299 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)c(Cl)c2)C1 88304108 KJNIYHOHPKXLKT-ISTVAULSSA-N 300.254 5.414 30 10 DKEE CCCCCCCC[C@@H](N)Cc1ccccc1Br 103944903 DFVBBUCIXXGORA-OAHLLOKOSA-N 312.295 5.070 30 10 DKEE CCCCCCC[C@H](Nc1ccc(Cl)cc1)C(=O)OCC 110320703 WCAMRFVZODYVCC-INIZCTEOSA-N 311.853 5.044 30 10 DKEE CCCCCCCCC[C@H](O)c1cncc(Br)c1 129017525 FBTLRYLFNWRISU-HNNXBMFYSA-N 314.267 5.018 30 10 DKEE CCCCCCCCCNc1c(F)c(F)c(F)c(F)c1F 158886467 LNZYPTRKFJICQF-UHFFFAOYSA-N 309.322 5.545 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(Cl)c(Br)c1 164728728 ROEROHGFIFELHO-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCCC[C@@H](N)c1cnc(C(F)(F)F)s1 232923512 HZDPGNPUAAKIHE-LLVKDONJSA-N 308.413 5.302 30 10 DKEE C[C@H](Nc1ccc(C#N)c(F)c1)c1cc(Cl)ccc1Cl 308066801 ZAVCRPITGZWFDW-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H](C)c1ccc(C)s1 387203056 CVPGJHJJPLUKNH-OAHLLOKOSA-N 313.576 5.566 30 10 DKEE C=CCC[C@@H](C)Nc1cc(C)cc(NC(=O)OC(C)(C)C)c1 687306383 LPPVVYJLRSLNQV-CQSZACIVSA-N 304.434 5.109 30 10 DKEE CCCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccccc1 698442639 FUPOBIMBZQMKLF-LJQANCHMSA-N 316.445 5.291 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cccc(Br)c1 703956191 YHKWDWXTNJZXGI-CYBMUJFWSA-N 310.279 5.092 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cccc(OCc2ccccc2)c1 715719805 LGKOTZCWFDEDNE-UWJYYQICSA-N 309.453 5.128 30 10 DKEE CCCCC(C)=NNc1nc(-c2ccc(Cl)cc2)cs1 1084008206 AUODCTKPTLZOFA-UHFFFAOYSA-N 307.850 5.442 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(C#N)cc1F)C(C)(C)C 1946839154 KKZCLKYYGUEQHM-MRXNPFEDSA-N 324.443 5.134 30 10 DKEE C=C(CC)C[C@H](NCC)c1sc(CC)cc1Br 2000382800 RIUDRIURJSLJNR-ZDUSSCGKSA-N 316.308 5.080 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(C)c(Br)c1C 2045816439 SBOYBPHRSPOAIV-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE C#CCCCC[C@@H](NCCC)c1scc(Cl)c1Cl 2053231744 OUUZDFWMCQZQPK-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCOc1ccc(C(F)F)c(C(F)(F)F)c1C(F)(F)F 2060220852 FUVAWBIKFYOBJZ-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Br)ccc1C 2082465242 ZOCFBBUDFJFKRF-INIZCTEOSA-N 312.295 5.292 30 10 DKEE Cc1cc(Cl)c(Br)cc1Nc1ccc(C#N)cc1 2082783631 UHWBAASBRLBHOR-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC1(C)CC=C(C(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 2125215203 CGSPBISRLLPMLV-UHFFFAOYSA-N 317.643 5.966 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 2141928232 WLSNXCPGQDDZOH-CQSZACIVSA-N 302.245 5.136 30 10 DKEE C[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1F 2151927443 GRMDACFHXFKTHW-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CSc1ccc([C@@H](O)[C@]2(C#N)CCCC(C)(C)CC2)s1 2157096935 AOEZSYQSCUNQQH-GDBMZVCRSA-N 309.500 5.004 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ncccc1Cl 2176550832 PSORAVHUBRMGAD-GFCCVEGCSA-N 304.846 5.186 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 2181255316 VQZTVPVIYZXDGK-SECBINFHSA-N 302.723 5.288 30 10 DKEE C=CCCCCCCC(=O)c1ccc(-c2cccs2)s1 2206902629 LVMORZVGNBEGLR-UHFFFAOYSA-N 304.480 6.186 30 10 DKEE C=CC1(CC(=O)c2sc(C)c(C)c2Br)CCC1 2215950612 YHNLUYXYMPRMFW-UHFFFAOYSA-N 313.260 5.057 30 10 DKEE C=CCCCCCCCCOc1c(Cl)cc(N)cc1Cl 2234037964 WAOSAQWYNTWTKI-UHFFFAOYSA-N 316.272 5.871 30 10 DKEE CCCCCCCC(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234054095 PNEVKOWTBQOSOO-CQSZACIVSA-N 312.240 5.530 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccsc1C(F)(F)F 2235533397 AYPHGHRONKXJAW-CYBMUJFWSA-N 306.393 5.717 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2236298970 MAZHRGBNILVBGP-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CCCCCCCCCCC[C@@H](NCCC)P(C)(C)=O 2237198374 ZLWWVRCKHFLSQQ-KRWDZBQOSA-N 303.471 5.856 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1F)c1cc(Cl)cc(Cl)c1 2237996664 JNIDMRNMRWFJQR-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=C[C@H](CC)OC[C@@H](NCCC)c1cccc(Cl)c1Cl 2239484535 RURHGNWBWQNNOQ-IUODEOHRSA-N 316.272 5.015 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc([C@@H](C)NCCC)c(C)c1 2248955613 YBPRAGFKEAWHRM-LJQANCHMSA-N 322.496 5.248 30 10 DKEE CCCCCCCC[C@@H](C)NCc1cnc(SC)s1 2269281939 ZVNQTSXQFMXULB-CYBMUJFWSA-N 300.537 5.094 30 10 DKEE CCCCCCCC[C@](C)(CSCCC)OCCCN 2293412664 DSTFIZNZBRLUNS-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE C=CCC(C)(C)[C@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2370502637 YYEHYFVYJRDTKT-HNNXBMFYSA-N 314.300 5.425 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Cl)cc1C(F)(F)F 2370618607 OPSYNWCPJQQZAT-KGLIPLIRSA-N 306.755 5.385 30 10 DKEE C#CCCN(Cc1cc(F)c(Cl)cc1Cl)CC(C)(C)C 2377398335 GWZVWZLPXQQLAY-UHFFFAOYSA-N 316.247 5.004 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 14463756 GHRFCSRKFMQJFB-LEDOBFOHSA-N 322.411 5.538 30 10 DKEE Clc1ccc(Oc2ccc(/N=C/c3cccs3)cc2)cc1 39431402 CSZLWKRECOCNRP-XDHOZWIPSA-N 313.809 5.944 30 10 DKEE CCCCCCCCCCCCCCCCCCNC(=O)O 112978979 BXXLBMBLLVIOKO-UHFFFAOYSA-N 313.526 6.516 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(C(F)(F)F)ccc1C 117739567 UPUCGQQGSUPYCE-AWEZNQCLSA-N 301.396 6.175 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(Br)o1 125000183 ABFKKXUCYSZOMC-ZDUSSCGKSA-N 316.283 5.443 30 10 DKEE CCCCCCCCCCOc1ccc([C@H](C)N)cc1Cl 132129275 JBBLFBUJLUMSGG-HNNXBMFYSA-N 311.897 5.879 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc2c(s1)CCCC2 159046812 GWMPHITUURXBDG-QGZVFWFLSA-N 307.547 6.028 30 10 DKEE Cc1ccc(Sc2ccc(/C(=N/O)c3ccccc3)cc2)cc1 216226836 GBPJMXLRIYEQED-QZQOTICOSA-N 319.429 5.373 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cccc(Cl)c2Cl)C1 218349335 MEXCOXDSIKXSND-RLCCDNCMSA-N 312.240 5.137 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Cl)cc(Cl)c1 233543545 AXQMUROARYIVSV-INIZCTEOSA-N 300.273 5.781 30 10 DKEE CC(C)(C)c1ccc(O)c(N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1 252621998 NMCSXHZHGHKSNX-UWNLQHNTSA-N 324.380 5.014 30 10 DKEE CN1/C(=C\C=Nc2ccccc2)Sc2ccc3ccccc3c21 254346236 CFJGSMGDRIQGCK-PYUBLARUSA-N 316.429 5.626 30 10 DKEE CCCCCCC[C@](O)(CC)c1ccc(Cl)c(Cl)c1 307876998 HTLVOXPELZRLPN-MRXNPFEDSA-N 303.273 5.952 30 10 DKEE CCCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccccc1 1614593316 YJQVEARGDKYYNH-PXBNPBHZSA-N 309.458 5.344 30 10 DKEE CCc1ccc(C=NNc2nc(-c3ccc(C)cc3)cs2)cc1 1772721188 MWSDDFSFFZOFPW-UHFFFAOYSA-N 321.449 5.127 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cc(F)ccc1Cl 1892439877 YXHMXMATDTTZOI-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE CCCCCCCC(=O)c1c(Br)cccc1OC 1913188088 OUJLXBYPRGGXBM-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cc(C)ccc1CNC(C)C 1914937021 GDENTJBBXFKEOG-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=CCN(CCCCCCCCC)CC(=C)Br 1916874758 OVGYWOXZZVNIQQ-UHFFFAOYSA-N 302.300 5.134 30 10 DKEE CCCCCCC[S@](=N)(=O)c1ccc(Cl)cc1Cl 1918078799 GPZYBJJQERGXGR-SFHVURJKSA-N 308.274 5.369 30 10 DKEE C=CC[C@H](CC)N[C@H]1CCC(C)(C)C[C@H]1OCc1ccccc1 1977483892 FOURYWLLIOXGGV-SLFFLAALSA-N 315.501 5.095 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1ccc(Br)cc1F 2045997075 HTPVTWKKHUOFCU-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE C=CC1(CN[C@@H](C)c2cc(Cl)sc2Cl)CCCC1 2069159121 DFLSKVNHIXNXTP-JTQLQIEISA-N 304.286 5.452 30 10 DKEE C=C(C)[C@@H]1CC[C@](C)(/C=C/C(C)=O)[C@@H]1CC[C@H](CCC)C(=O)O 2069590135 GVPWFKHKFWXZLJ-NBMIEPLTSA-N 320.473 5.021 30 10 DKEE CC#CCCCCOc1ccc(Br)cc1C(C)C 2075407198 HMNQBEMDDKILPW-UHFFFAOYSA-N 309.247 5.145 30 10 DKEE CCCCCC#CC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2138948394 LEQFBACTODTUJE-CYBMUJFWSA-N 319.659 5.654 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(F)c(Cl)c1F 2164213519 AAKDYTAGDBFPPN-ZBEGNZNMSA-N 301.808 5.261 30 10 DKEE C=C([C@H](NCCC)[C@H]1CCCCC(F)(F)C1)[Si](C)(C)C 2168912422 CZJANXHNUXDPMN-GJZGRUSLSA-N 303.513 5.004 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cscc2C(F)(F)F)CC1 2181639023 KJAFSRYCGMKDPS-SNVBAGLBSA-N 302.361 5.332 30 10 DKEE CCCCCCC[C@H](C)NCc1csc(C(F)(F)F)n1 2188735910 MMOGJYSWCKNAQC-NSHDSACASA-N 308.413 5.001 30 10 DKEE CCCCC#CC[C@@H](NCC)c1csc(C(F)(F)F)c1 2203785834 BFEJKZPSHPXXAF-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE CCCCCC#CC[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 2203791498 MOPOJQIIGJFHGY-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE C=CCCCC[C@@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1C 2211851193 UAXACNLTKCQEGF-QGZVFWFLSA-N 318.461 5.088 30 10 DKEE C=CCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2234040375 GCRCQYVGUWBBDL-INIZCTEOSA-N 314.300 5.651 30 10 DKEE C=CCCCCCCC[C@H](N)CSc1cccc(Cl)c1 2235518772 JPQHDEVQIJNRFG-INIZCTEOSA-N 311.922 5.676 30 10 DKEE CCCC1(CCC)CC(C#N)(c2cccc(Cl)c2Cl)C1 2235757678 SYHBZVGJIBETBJ-UHFFFAOYSA-N 310.268 6.135 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(C)c(Br)c1C 2259236852 HMKWTWAMIDHPBR-OAHLLOKOSA-N 310.279 5.202 30 10 DKEE CCCC[C@@H](CC)CSCC(CS)(CCC)CCC 2278360059 MFMDMEFVKGASAJ-MRXNPFEDSA-N 304.609 6.452 30 10 DKEE CCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)c(Cl)cc1C 2286462530 NVDUWPPLRSZCHP-INIZCTEOSA-N 312.284 5.392 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1sccc1Cl 2295678974 LJZFMPQRHZTNMH-JKSUJKDBSA-N 317.926 5.293 30 10 DKEE Cc1cccc(C)c1NC=CC(=O)c1ccc(C(C)(C)C)cc1 2297681120 RDZCEBXLCBXCHO-UHFFFAOYSA-N 307.437 5.409 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(C)cc(Br)c1F 2321174508 MUKQIHAEWYKHKG-HNNXBMFYSA-N 313.210 5.072 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cc(C)c(Br)c(C)c1 2321222768 CPBTWELBHHCWCX-CVEARBPZSA-N 311.263 5.092 30 10 DKEE C=CCOc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2323203192 DMOXCBONSKCDGN-UHFFFAOYSA-N 314.384 5.301 30 10 DKEE CCC(=NOCc1cccc(F)c1)c1ccc2c(c1)CCCC2 2330251865 LFMVDQPJBQGRDY-UHFFFAOYSA-N 311.400 5.035 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2335361664 SFFJFWHGEFXHKA-YGRLFVJLSA-N 304.236 5.385 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)cc(F)c1Cl 2344337146 OLGCOXNECQUJLW-MEBBXXQBSA-N 304.236 5.385 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(Br)cc1CC 2344347755 DWDMEMVIHORDKP-SJORKVTESA-N 324.306 5.264 30 10 DKEE CCCC[C@](C)(C=O)[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353214536 UGPQICGTQOGBJY-BLLLJJGKSA-N 301.257 5.801 30 10 DKEE N#Cc1ccc(Sc2ccccc2Cl)cc1C(F)(F)F 37306502 GHRHDUDKPVRAHY-UHFFFAOYSA-N 313.731 5.382 30 10 DKEE N#Cc1ccc(NCc2cccc(Cl)c2Cl)cc1Cl 37393178 REMMQCYRGLUVEO-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2ccc(C)cc2C)cc1 103029144 CRKLRPLHUQGQIF-SEYXRHQNSA-N 323.436 5.291 30 10 DKEE CCSc1cccc(O[C@H]2C[C@@H](C)CC(C)(C)C2)c1C#N 136709194 OGVCVJKVUZFNMN-KGLIPLIRSA-N 303.471 5.264 30 10 DKEE CCCCCCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 703707803 FXDDMNRACIESCA-NSHDSACASA-N 306.252 5.754 30 10 DKEE C=C(C)CCOC[C@@H](NCCC)c1cc(Cl)ccc1Cl 709540697 OYCBDLABZPEWLP-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CC[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 710834717 YUYVIQHVMLYHNY-SWLSCSKDSA-N 322.836 5.020 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)C1CCCCCCC1 712344742 LCJJKEOFKARMJI-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE CC1(C)CCCCC[C@@H]1Nc1ccc(C#N)c(Br)c1 719208335 SJFFYMOCLRVMLH-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE N#CCc1ccc(SC(F)(F)F)c2sc(Cl)cc12 725286318 PCCPYNWJPIEUBN-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE Clc1ccc(N=Cc2cccc3ccccc23)cc1Cl 1084296157 KROPIOUZZJACQH-UHFFFAOYSA-N 300.188 5.897 30 10 DKEE CC[C@@H](CS)CN(Cc1ccccc1)[C@@H](C)c1cccs1 1915087101 QOZIMTHNJIOMSL-JKSUJKDBSA-N 319.539 5.267 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CCCCC2)C1 1915885954 PBTCRHBZULVFAH-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCCCCCCC[C@H](O)C1CC(OCc2ccccc2)C1 1958678264 CNZBRVMOUFLHLS-MHJFOBGBSA-N 304.474 5.093 30 10 DKEE CCCC(CCC)[C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 1961604053 JAIWTGLJNCVTLY-ZBFHGGJFSA-N 310.482 5.131 30 10 DKEE C[C@H](N(Cc1ccccc1)CC1(C#N)CCCCC1)C(C)(C)C 1979312960 VMWDOGOYBOVTDJ-SFHVURJKSA-N 312.501 5.397 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(OCc2ccccc2)cc1 1996470712 OIICUZJROQVMJU-GCJKJVERSA-N 323.480 5.519 30 10 DKEE Cc1cc(C(=O)C2=CCC(C)(C)CC2)sc1Br 2010767039 XXEGCUWQQAEYMN-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccccc1OCc1ccccc1 2026019084 HUVVJCJOJQUIMK-OAQYLSRUSA-N 324.464 5.826 30 10 DKEE CCCCCC#CCNc1cc(C)c(Br)cc1C 2083399596 QSKFDCKXJYYJDJ-UHFFFAOYSA-N 308.263 5.062 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc(Cl)cs1 2102395436 XHCAGGOKRQRPFI-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE CC[C@@H]1CCC[C@H](Nc2cccc(Br)c2C#N)CC1 2103209308 UQICSEGNTCHRRT-OLZOCXBDSA-N 321.262 5.092 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(Cc2csc(-c3ccsc3)n2)C1 2144694265 GIXIHCXCMJMOMD-WBMJQRKESA-N 302.468 5.134 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1cc(Cl)cc(Cl)c1 2148591670 QAAMFHAVNMUXFT-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE CCCCCCCOCc1cc2sc(C(=O)O)cc2s1 2156616499 TWZUHLYSYFZRFH-UHFFFAOYSA-N 312.456 5.148 30 10 DKEE C=CCC[C@H](C)[C@@H](CSc1ccccc1Cl)NCCC 2158320899 PEDQBTIDFAGPFL-GOEBONIOSA-N 311.922 5.403 30 10 DKEE CCCCCCCC[C@H](O)[C@H](NC)c1cc(Cl)sc1C 2207462523 VSDHXEIJJKPBRH-GOEBONIOSA-N 317.926 5.082 30 10 DKEE C=CCCCCCCCOc1cc(Br)ccc1C 2220088202 LDFPOZXFHKTEFA-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE C=CCCCCCCCNc1ccc(C)c(Br)c1 2220089869 ALUXVZGPEGKREA-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE C=CCCCCCCCNc1c(C)cccc1Br 2220094853 XGWSEIRKMFPMIA-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE C=CC1(C[C@@H](NCCC)c2csc(Cl)c2OC)CCC1 2284262803 RJTZEZCSJZOMBO-CYBMUJFWSA-N 313.894 5.197 30 10 DKEE O=C(C=CSc1ccc(Cl)cc1)c1cccc2ccccc12 2297533053 ORVCXHJBSWIPSI-UHFFFAOYSA-N 324.832 5.982 30 10 DKEE CCC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 2330246651 WFHLUSXCWNWTIR-UHFFFAOYSA-N 323.480 5.932 30 10 DKEE CN(c1ccccc1)c1ccc(/C=N/Nc2ccc(F)cc2)cc1 59165483 OGIREZWHTGHGIR-PXLXIMEGSA-N 319.383 5.040 30 10 DKEE Cc1cc(C)c(C(=O)/C=C/c2c[nH]c3ccccc23)cc1Cl 83194223 RCPWWQSIOQDPBJ-BQYQJAHWSA-N 309.796 5.334 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(F)c(C(F)(F)F)c1 109924483 OHBACVQXBZGVHG-GFCCVEGCSA-N 305.359 6.005 30 10 DKEE CCCCCCCCC[C@H](N)Cc1ccc(Cl)c(Cl)c1 112896653 GQFLMHJJFJEDIT-HNNXBMFYSA-N 316.316 6.004 30 10 DKEE CCCCCCCC[C@H](NCC)c1csc2ccccc12 115856699 UAYDABVVLFVYBV-SFHVURJKSA-N 303.515 6.303 30 10 DKEE CCCCCCCCCCNC[C@@H](O)c1ccc(Cl)cc1 129339107 AFJGWFFTOXDDJU-GOSISDBHSA-N 311.897 5.104 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1CCCc2sccc21 135557337 CETIPDVFZUFJTR-AEFFLSMTSA-N 308.531 6.060 30 10 DKEE CCCCCCCCCCNc1cc(Cl)nc(C(C)C)n1 162994642 AGGVYBRSWKGCRE-UHFFFAOYSA-N 311.901 5.806 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(Br)c2ccccc12 228827387 KBWDKIJQBXJJTJ-GFCCVEGCSA-N 304.231 5.369 30 10 DKEE N#Cc1ccc(Cl)cc1Sc1ccc(Cl)cc1Cl 322959683 UHYNWLGUCVTPDG-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE C[C@H](CC1CCCCC1)/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C 329290589 QRCUEDOLYZIURZ-FRFSOERESA-N 322.493 5.083 30 10 DKEE CCCCCCCCC[C@@]1(N)CCCN(Cc2ccccc2)C1 707868623 NSKUXGINOVQEHK-OAQYLSRUSA-N 316.533 5.121 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cc(F)ccc1F 1865984884 NICJCJSYESTZPS-UHFFFAOYSA-N 311.416 5.824 30 10 DKEE CCCCCCCCNC(=O)C[C@H](c1ccccc1)C1CC1 1868193353 OCYROWTYFUHPIG-LJQANCHMSA-N 301.474 5.047 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cccc(C)c1C 1922063916 ACGHKVAZQSPJIZ-JOCHJYFZSA-N 323.480 5.117 30 10 DKEE C=CCCCCCCCC[C@H](N)CCCOCc1ccccc1 1995328157 OXQJJGQXVYOMDM-NRFANRHFSA-N 317.517 5.618 30 10 DKEE C=CCCC[C@H](NCCC)c1scc(Br)c1C 2005225921 CMUYDYHUJSEPSO-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CCCCCCC[C@@H](C)Nc1cccc(F)c1Br 2029298415 POZPVBXYKLZPKH-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE C=CCC[C@@H](C)n1c(S)nc2cc(Cl)c(Cl)cc21 2048235984 GNVGWEACBZAXAY-MRVPVSSYSA-N 301.242 5.159 30 10 DKEE C=CCC[C@@H](C)C[C@H](NCC)c1ccc(Br)cc1 2050513504 PNPUYKCHODHVAL-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE O=C1CCCCC=C1c1c(Cl)c(Cl)cc(Cl)c1Cl 2063570028 UTERATPZZSPHKS-UHFFFAOYSA-N 324.034 5.827 30 10 DKEE CCCCCCCCNc1cc(C)c(Br)cc1C 2083400156 YMUMDRZPORGQIR-UHFFFAOYSA-N 312.295 5.838 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCCCC12CC2 2117002808 AZLMKRWFSJPNGC-KRWDZBQOSA-N 318.258 5.164 30 10 DKEE C=C([C@H](NCCC)c1cc2sc(C)cc2s1)C(F)(F)F 2156532571 AYXZNGCMWATASH-ZDUSSCGKSA-N 319.417 5.430 30 10 DKEE C=C1CCC(C[C@@](C)(O)c2cc(F)c(Cl)cc2Cl)CC1 2196505138 UOIDIBMKZWLRLZ-MRXNPFEDSA-N 317.231 5.477 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@H](O)c1sccc1Cl 2207439984 UXJALERJWWUDSL-GJZGRUSLSA-N 315.910 5.069 30 10 DKEE C=CCN(Cc1ccccc1)CC1C[C@@H]2CCC[C@H](C1)C2(F)F 2210344870 RMUVCJNIZBADRV-YQQQUEKLSA-N 319.439 5.136 30 10 DKEE CCCCCCCCCCCOCC/C=C/Br 2216924735 NNJWOINGAXZMBU-JLHYYAGUSA-N 305.300 5.833 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cccc(OCc2ccccc2)c1 2244644473 NGVKTEKGSBDROW-OAQYLSRUSA-N 310.437 5.436 30 10 DKEE CCC(=CC(=O)c1cc(Br)cc(C(C)C)c1)CC 2254725309 BENIPYSTXFWQCV-UHFFFAOYSA-N 309.247 5.502 30 10 DKEE CCCCCCCC[S@@](=N)(=O)C[C@@H]1CCCCC1(F)F 2283105387 AIGLGVCKORPIPB-VBKZILBWSA-N 309.466 5.219 30 10 DKEE CC1(CSc2ccc(Cl)cc2C#N)CC(C(F)(F)F)C1 2287315476 FNJMJIFULGITOR-UHFFFAOYSA-N 319.779 5.282 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(C(F)(F)F)cs1 2287371367 BHMFMPLFEVFXEQ-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE CCCCCCC[C@](C)(OCC(=O)O)c1ccsc1Cl 2292051964 FBGHCLYFOSFKAB-HNNXBMFYSA-N 318.866 5.078 30 10 DKEE CCCCCCCC[C@@](C)(OCCN)c1sccc1Cl 2292790258 BVDTUDKLPOBDEJ-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE CCCCCCCCC[C@](C)(O)C(=O)c1ccc(Cl)s1 2295595957 GBHCOWURYOEFPO-INIZCTEOSA-N 316.894 5.476 30 10 DKEE Cc1ccc(C)c(C(=O)C=CNc2ccc(Cl)cc2Cl)c1 2296876241 FMDAPPMLQIPWQU-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE C=CCC(CC=C)N(C)[C@H](C)c1cc(Br)cs1 2301055615 PHYMBTXJSKXGAW-LLVKDONJSA-N 314.292 5.024 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352818530 SBFZMBWMEDRGEM-ABAIWWIYSA-N 300.273 5.555 30 10 DKEE CC1(C)CCC[C@]1(C=O)CCCCC(F)(F)C(F)(F)F 2368118020 UACRWUCBLUCNOD-LBPRGKRZSA-N 300.311 5.140 30 10 DKEE C=CCP1(=O)O[C@H](c2ccccc2)C[C@@H](c2ccccc2)O1 5157871 LSELVNDFXRDUHX-ROUUACIJSA-N 314.321 5.285 30 10 DKEE Cc1ccccc1[C@@H](C#N)CCOc1cccc2ccccc12 57686753 QKKNTHNLRMHRIA-GOSISDBHSA-N 301.389 5.225 30 10 DKEE CC(C)Cn1c(Cl)c(C#N)c2c(Cl)cc(Cl)cc21 71466320 BOTOUHRSZPFZPA-UHFFFAOYSA-N 301.604 5.129 30 10 DKEE CCOc1ccc(C)cc1C(=O)/C=C/c1cccc(OC(C)C)c1 83205212 VYLWAVRLVQYRNO-ZHACJKMWSA-N 324.420 5.077 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 97993134 ROSQYDOUWXXFIW-WQLSENKSSA-N 323.392 5.097 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2ccc(Cl)c(Cl)c2)cc1C 103030715 QKVHNZLXLPDTES-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE N#CC1(Cc2cc(Br)ccc2F)CCCCCCC1 158877259 MHYNOPQWRNOUIW-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE CCCCCCCCNc1ncc(Cl)cc1Br 159619868 YOMABKQHTMGJGC-UHFFFAOYSA-N 319.674 5.270 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1sccc1CC 229287409 GLZITNNAIHTSRY-SFHVURJKSA-N 310.547 6.655 30 10 DKEE C=CCCCCCNc1cccc2cc(Br)cnc12 232484696 JDQDFVRDMZPLCJ-UHFFFAOYSA-N 319.246 5.156 30 10 DKEE CCCCCCCC[C@@H](NCC)c1scc(C)c1Cl 232924503 YQBHYBXLJRRERY-CQSZACIVSA-N 301.927 6.111 30 10 DKEE CCCCCCCCN[C@H](C)c1cc(Cl)sc1Cl 232937638 ILIVAPJECUIDDM-LLVKDONJSA-N 308.318 6.066 30 10 DKEE C=CCOc1cc(SCc2ccc(C)cc2)ccc1C(C)=O 261042704 LYPDMYFHTOBWAN-UHFFFAOYSA-N 312.434 5.055 30 10 DKEE SCCCCCCOc1ccc(OCc2ccccc2)cc1 309566322 FXOYXJMSESUNHZ-UHFFFAOYSA-N 316.466 5.135 30 10 DKEE CCC[C@H](Nc1ccc(C#N)c(Br)c1)C1CCCC1 313412588 PVESUOMBERAZDK-INIZCTEOSA-N 321.262 5.092 30 10 DKEE O=C(C1=CCCCCC1)c1ccccc1OCc1ccccc1 390811484 VOWONUVSQOTHAF-UHFFFAOYSA-N 306.405 5.339 30 10 DKEE CCCCCCCCC[S@@](=O)Cc1ccc(Cl)cc1 526851412 OJKDZQIDODHPDE-LJQANCHMSA-N 300.895 5.339 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC12CCCC2 698377681 UEDOYGDTHAPBFO-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 710784621 JHUXUCOISZHXIA-INIZCTEOSA-N 310.482 5.132 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 722138049 UASJBRSFGCOODD-DYVFJYSZSA-N 313.268 5.712 30 10 DKEE FC(F)c1c(C(F)(F)F)c(C(F)(F)F)cc2ccsc12 725324309 GADWEQMHGGPMFL-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE Fc1ccc(C(F)(F)F)cc1-c1ccc(OC(F)(F)F)cc1 1848363576 DMNVTULWNTVQGW-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)Cc2cccs2)C1 1915388725 QYEGWJOPPPQPGG-IMFGXOCKSA-N 324.493 5.079 30 10 DKEE CCCCCCCCCN[C@@H]1CC[C@@H]1OCc1ccccc1 1934913072 XQSBHVXMXQQKKM-UXHICEINSA-N 303.490 5.074 30 10 DKEE CC(C)(C)OC(=O)Nc1cccc(C(=O)C=C2CCCCC2)c1 1983508821 CTKKZGNHWXMFRY-UHFFFAOYSA-N 315.413 5.107 30 10 DKEE Cc1noc(C)c1C=CC(=O)c1ccccc1SC(C)(C)C 2054618202 XEMTZNKZMDLRFO-UHFFFAOYSA-N 315.438 5.078 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Cl)c(Cl)cc1Cl 2081456068 MICAAXXWIGADRV-UHFFFAOYSA-N 303.616 5.720 30 10 DKEE Cc1cc(CSc2ccc(Cl)cc2Cl)ccc1C#N 2097182633 VJYUFLMNVPBVBX-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CCSc1cccc(SCc2ccc(CC)o2)c1C#N 2145643252 VLIXYOVOSQRYPL-UHFFFAOYSA-N 303.452 5.118 30 10 DKEE C=C([C@@H](N)c1ccc(-c2cccc(Cl)c2)s1)C(C)(C)C 2164002560 WMYBNFCYTYNQJX-MRXNPFEDSA-N 305.874 5.671 30 10 DKEE Cc1cc(Nc2cc(Cl)c(C#N)cc2F)c(Cl)cc1F 2177391374 QHCOQVYCNWIKLR-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1cc2sccc2s1 2205532708 XYKCNOXSJXGQKI-ZBFHGGJFSA-N 305.468 5.106 30 10 DKEE CCC#CC[C@H](NCCC)c1ccc(-c2cccs2)s1 2205867842 XHFWQNKGSWETNN-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1ccc(SC)s1 2207411340 CCNDYGHUDQXIRJ-HNNXBMFYSA-N 311.560 6.037 30 10 DKEE C=CCCCCCCCCC[C@H](O)[C@H]1SCCS[C@@H]1C 2207441336 HPVAALALRFYNBS-IKGGRYGDSA-N 316.576 5.281 30 10 DKEE CCCCCCCCCCCCOC(=O)CC[C@@H](C)S 2239492364 JNIJNPHBKCGHSY-MRXNPFEDSA-N 302.524 5.549 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1csc(Br)c1 2250162179 VZVIWSJKEWBNSC-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C=C(C)CCCCC(=O)COc1ccc(Cl)cc1Cl 2271835216 PTUXWFFGNKUPLV-UHFFFAOYSA-N 301.213 5.078 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1[C@@H](C)O 2287176961 CTEFRWWHSZYIRJ-CQSZACIVSA-N 312.906 6.012 30 10 DKEE CC1(CSc2cccc(Cl)c2C#N)CC(C(F)(F)F)C1 2287311407 BRBXFIPVQQYGFP-UHFFFAOYSA-N 319.779 5.282 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](CC)c1ccc(Br)cc1 2337093978 KOABMWLGFRKUOL-XYPHTWIQSA-N 322.290 5.235 30 10 DKEE Cc1c(C[C@]2(C#N)CCS[C@H](C)C2)ccc(Cl)c1Cl 2338664000 BUMXFNMSWGXCDX-BMIGLBTASA-N 314.281 5.270 30 10 DKEE C=CCCCCCCCC(=O)c1c(Cl)cc(F)cc1Cl 2366403539 QJVNYKFQBZOZFK-UHFFFAOYSA-N 317.231 6.232 30 10 DKEE CCCCCCCC[C@@H](N)Cc1cc(F)c(Cl)cc1Cl 2377401538 REBQVJDVPRUIRH-CYBMUJFWSA-N 320.279 5.753 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2nc(C)cs2)C1 37155760 JSQXCXFHKVOSTF-MGPQQGTHSA-N 308.516 5.288 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(F)ccc2Br)C1 87972902 ZAXLPPYQMDVWSE-LRDDRELGSA-N 324.237 5.241 30 10 DKEE FC(F)(F)c1cccc(OCCCCCCCCCS)c1 97799749 LIVFDGSWJBATDP-UHFFFAOYSA-N 320.420 5.745 30 10 DKEE CCCCCCCCCCCC[C@@H](CSCC)NCCC 115644358 OJJFTKOPZOXKNO-IBGZPJMESA-N 315.611 6.419 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(Br)ccc1Cl 125779960 SFHVNEWZOMDVKD-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE N#CC1([C@H](O)c2ccc(Cl)c(Cl)c2)CCCCCCC1 156800359 PUBYGWSFUWDRTC-OAHLLOKOSA-N 312.240 5.281 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc(Cl)ccc1C 162320280 HJFXSXHPARVIGD-LJQANCHMSA-N 309.925 6.440 30 10 DKEE C[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)c2ccsc2S1 217000050 LNTSLMMEVXTDLB-LKFCYVNXSA-N 320.870 5.311 30 10 DKEE CCCCCCCCCc1c[nH]c2ccc(Br)cc12 232957587 FHMSSPIQZKCURT-UHFFFAOYSA-N 322.290 6.224 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(OCc2ccccc2)cc1 303119178 TUEAHUAQYVQXOR-OAQYLSRUSA-N 312.453 5.660 30 10 DKEE C=CCCCCC[C@@H](NCC)c1c(C)cccc1Br 381907977 SLHOFVRXUDNXQX-MRXNPFEDSA-N 324.306 5.545 30 10 DKEE Fc1cccc(-c2c(OC(F)F)cccc2C(F)(F)F)c1F 514256435 XVIWFWIMOXDDNG-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE N#Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(F)(F)F 514261005 XKSKGXSAIVQNKD-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Br)c(F)c1C 696104688 JZHAXOJDNPPBTO-CQSZACIVSA-N 316.258 5.257 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cc(Cl)ccc1F 1892439285 NUKQPLQMRFKBDL-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=CCCCCC(=O)c1cccc(Br)c1Cl 1984521628 LMJQMBQOEBSMDJ-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CCCCCCCNC[C@](C)(CC)N(C)Cc1ccccc1 1995169466 QVJUVCWBTIOSAQ-NRFANRHFSA-N 316.533 5.013 30 10 DKEE CCOc1cc(C(F)F)c(C(F)(F)F)cc1C(F)(F)F 2060222691 WZNMEKGSHJWPLS-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE CCCCCC#CCNc1cc(Cl)c(Cl)cc1Cl 2083412192 VSHHUFHUNNWXHY-UHFFFAOYSA-N 304.648 5.642 30 10 DKEE CCCCC#CC[C@H](NCC)c1cc(Cl)c(Cl)s1 2083437558 RXOSAURBBHYASH-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE N#Cc1c(Br)cccc1NCCC1CCCCCC1 2089230085 BBGVNSNIUKIWAB-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCCCCCCCC(=O)c1cc(Cl)c(Cl)s1 2099898832 NELGGNVAUFNSNC-UHFFFAOYSA-N 321.313 6.768 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cccc(Cl)c2Cl)CC1 2157106185 MYCRXHAMMNGZMI-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc(Cl)sc1C 2164151362 ZIJGPNCOGFSMDZ-MRXNPFEDSA-N 315.954 6.501 30 10 DKEE C[C@@](F)(CNc1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)F 2191838394 BTWFOBORHKAQIZ-SECBINFHSA-N 323.639 5.061 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Cl)c(Cl)c(Cl)c1 2217612463 FDYXUETYYWQGCZ-UHFFFAOYSA-N 303.616 5.720 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(Cl)cc(F)c1Cl 2231189550 SMKFZMZGNOGNMQ-HZMBPMFUSA-N 304.236 5.385 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1ccc(Cl)c(Cl)c1 2231509672 GTRPVJRHWBWTPZ-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE CCC(CC)(CC)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235753761 MMGVRTASKAQDTK-LBPRGKRZSA-N 312.240 5.386 30 10 DKEE CCCCCCCCNCCCCC(F)(F)C(F)(F)F 2240434826 SUVUQZQFHHFXFU-UHFFFAOYSA-N 303.359 5.304 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1csc(C(F)F)n1 2287408561 JRUDFSLEDOKZQS-GFCCVEGCSA-N 302.434 5.258 30 10 DKEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1cc(Cl)cs1 2290438332 CBQAETCZWYZRLK-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE N#Cc1cc2c(nc1SCC=Cc1ccccc1)CCCCC2 2297453687 KNIUENWIAOJMDM-UHFFFAOYSA-N 320.461 5.028 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 2330276459 LLOWOSBRHAOUEY-UHFFFAOYSA-N 313.828 5.160 30 10 DKEE C=CCC(CC=C)Sc1ccc(C[C@H](N)CC)cc1Cl 2360208952 WIFJYIUBCMEWTA-CQSZACIVSA-N 309.906 5.233 30 10 DKEE C[C@@H]1C[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)[C@@H](C)O1 2366901211 VVJOKHCPEHIQIT-XHBSWPGZSA-N 312.240 5.023 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1c(Cl)ccc(F)c1F 2370481147 BKJXUAAHQUQDLD-CVEARBPZSA-N 301.808 5.261 30 10 DKEE CCCCCCCc1ccc(-c2ccc(C(=O)O)cc2C)cc1 42851192 FOWFCXWOMTYHOZ-UHFFFAOYSA-N 310.437 5.873 30 10 DKEE N#C[C@H](C(=O)C1CCCCCC1)c1ccc(Cl)c(Cl)c1 53714888 NDQNPXUSFCOFLX-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE N#C[C@@H](CCCOc1ccc2ccccc2c1)c1ccccc1 57684549 CFYQTYRRKCKBTL-HXUWFJFHSA-N 301.389 5.306 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Sc1ccc(Cl)c(Cl)c1 88304096 FJUNYJHXLGFDCY-HZMBPMFUSA-N 300.254 5.558 30 10 DKEE CCCCCCCOc1cccc(CN[C@@H]2CCC[C@@H](C)C2)c1 100131302 ODCSDBDWAHZRAM-UYAOXDASSA-N 317.517 5.704 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)cc2cccnc12 109775466 DCYNNFVDPYRVDI-AWEZNQCLSA-N 304.865 6.049 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1ccccc1SC(F)F 110252030 WIHQUEYZKQZOJQ-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CCCCCCCCCCCC(=O)Cc1ccccc1Cl 115858285 VLGJHDWSPAMIOK-UHFFFAOYSA-N 308.893 6.373 30 10 DKEE CCCCCCCCC[C@H](O)c1occc1Br 122403530 XUMHEQJVXPSPLF-ZDUSSCGKSA-N 303.240 5.216 30 10 DKEE CCCCCCCCCCNCc1csc2ccccc12 129285674 OIRSDWSHANZOAK-UHFFFAOYSA-N 303.515 6.132 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1nccc(C)c1C#N 135092058 ZWPITNODNADQDV-UHFFFAOYSA-N 300.789 5.139 30 10 DKEE CCCCCCCCCCCC[C@H](CCSC)NCCC 143489119 YZYRVIWOEHULBD-LJQANCHMSA-N 315.611 6.419 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)c1cnns1 143496128 TYUKZFHKHIALPN-MRXNPFEDSA-N 311.539 5.500 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](CC(=C)C)c1ccccc1 238101344 UMYQAGJDCUJWBX-KRWDZBQOSA-N 301.430 5.117 30 10 DKEE C=CCCCCCCNC(c1cccs1)c1cccs1 380360905 NMOWUNILRXSSSH-UHFFFAOYSA-N 305.512 5.625 30 10 DKEE CCC1([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CCC1 686131829 CXYLPCJRLPSSQG-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE CC(C)C[C@H](CS)CSc1ccc(Br)cc1 1905529682 PUPUZAGJNUCGTK-LLVKDONJSA-N 319.333 5.133 30 10 DKEE C=C([C@@H](O)c1cc(Cl)c(C)cc1Br)C(C)(C)C 1947451241 HUKSWLLPQHLMNX-CYBMUJFWSA-N 317.654 5.047 30 10 DKEE N#CC1(Cc2cc(Cl)cc(Br)c2)CCCCC1 2001855904 FFXLGYHUAKOVPM-UHFFFAOYSA-N 312.638 5.119 30 10 DKEE CCCCCCCCCc1ncc(Br)c(Cl)n1 2014452600 PDAKCLFDBCGQNR-UHFFFAOYSA-N 319.674 5.186 30 10 DKEE O=C(C=Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 2053512916 COFYPPRPNNDDRN-UHFFFAOYSA-N 302.348 5.389 30 10 DKEE CC#CCCCCC(=O)c1c(Cl)ccc(Cl)c1Cl 2075411200 RWITUWMKQVQSMB-UHFFFAOYSA-N 303.616 5.413 30 10 DKEE C=CCCCCC[C@H](O)c1c(F)cc(C)cc1Br 2075722552 XCQQXFLYQJXMFP-AWEZNQCLSA-N 315.226 5.067 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)c(Cl)cc1Cl 2081451094 GTBLJVPWFNAQOX-AWEZNQCLSA-N 309.664 6.041 30 10 DKEE CCCCC#CC[C@@H](NCC)c1cc(Cl)sc1Cl 2083430939 OEQZFZWWXAEERN-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(C)c(Cl)s1 2109074801 KOLYEPJDQLJRLT-CYBMUJFWSA-N 302.915 5.355 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccc(Br)c(F)c1 2117025336 QVICMEFCKVDADT-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE Cc1ccc(C(=O)C2=CC[C@H](C(C)C)CC2)c(Br)c1 2125204258 QTMGYDKMUKUXTH-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE CC1(C)CC[C@]1(C#N)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2131991061 FFCJKTWZPAZVHX-JSGCOSHPSA-N 318.631 5.010 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1OC 2138627013 CYELMJOZCZJUGS-ZDUSSCGKSA-N 304.261 5.362 30 10 DKEE CCCC[C@@](C)(C#N)[C@@H](O)c1cc(-c2cccs2)cs1 2164476131 VQRWTXZPTWXQRT-HOTGVXAUSA-N 305.468 5.230 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2212097169 IVGBUISQUYVUNI-DNVCBOLYSA-N 322.493 5.132 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(Cl)c(Cl)c1 2224390388 DMLGNMQWZDLGNI-AWEZNQCLSA-N 322.707 6.397 30 10 DKEE CCCCCCCC[C@@](C)(O)C(=O)c1ccc(Cl)s1 2231945814 JZIIZCBCGYIEOP-OAHLLOKOSA-N 302.867 5.086 30 10 DKEE C=CCCCCCCC[C@]1(O)C[C@H](C)Sc2sccc21 2235532700 NCBXIJACRGNLCJ-YOEHRIQHSA-N 310.528 5.737 30 10 DKEE CCC(F)(F)CCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2283701860 KUUALUAYZZSKPE-MGPQQGTHSA-N 303.462 5.510 30 10 DKEE CCCCCC#CC[C@H](NCC)c1csc(Cl)c1OC 2284289549 ZVXWCTNTLCUWPU-AWEZNQCLSA-N 313.894 5.035 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)CC=CC#CC(C)(C)C 2286479257 CAPCQFQGGJTQGU-UHFFFAOYSA-N 309.236 5.480 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)C1=Cc2ccccc2C1 2286485763 OZIAETTTWWYGQJ-UHFFFAOYSA-N 303.188 5.124 30 10 DKEE C=CCCCSc1c([C@H](C)NCCC)ccc(Cl)c1F 2287189850 RMIXPADAIMZEPQ-LBPRGKRZSA-N 315.885 5.598 30 10 DKEE O=C(C=CSc1ccc(F)c(Cl)c1)c1ccccc1F 2297451331 HIGGYJFGPUQTDF-UHFFFAOYSA-N 310.752 5.107 30 10 DKEE C(#Cc1cccc2ccccc12)C=Cc1ccc2ccccc2c1 2297730514 UCZSRSODXQRGRZ-UHFFFAOYSA-N 304.392 6.058 30 10 DKEE CCCCCC=CCC=CCC=CC[C@@H]1O[C@H]1CCCC(=O)O 2333257249 VBQNSZQZRAGRIX-OALUTQOASA-N 320.473 5.428 30 10 DKEE CCc1c(-c2ccc(Cl)c(Cl)c2C)sc(C#N)c1N 2339050000 MTFAVATVGVQXCP-UHFFFAOYSA-N 311.237 5.047 30 10 DKEE CC1(C)CCC[C@@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2349906034 JDMRXYZFCVXUGX-HNNXBMFYSA-N 303.204 5.070 30 10 DKEE C=CCC(CC=C)SCc1ccc(N)cc1C(F)(F)F 2360198240 FUXKLVTZJXSFRE-UHFFFAOYSA-N 301.377 5.042 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)CC1(CS)CC(C)(C)C1 2371131336 LNKVHUNCXFYJKM-CYBMUJFWSA-N 311.922 5.069 30 10 DKEE O=C1/C(=C\c2cccc(F)c2)CCC/C1=C\c1cccc(F)c1 33673601 RANXKIYLTVWOIP-VRNBXGKJSA-N 310.343 5.185 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(OC)cc1Cl 59332708 MPZMMFKUKPDKKW-SFHVURJKSA-N 311.897 5.750 30 10 DKEE CCCCCCCOCC(=O)c1ccc(Cl)c(Cl)c1 59526036 WOVLFTRIQJJXOW-UHFFFAOYSA-N 303.229 5.163 30 10 DKEE Cc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)c(F)c1 94921744 VLPOCWPTIVPJEA-UHFFFAOYSA-N 314.410 5.045 30 10 DKEE CC[C@H](C[C@@H]1O[C@H]1C)c1ccc(OCc2ccccc2)cc1C 107616960 PQSHHHWWCMIZBG-CDXJDZJCSA-N 310.437 5.245 30 10 DKEE N#Cc1oc2ccccc2c1OCc1ccc(Cl)c(Cl)c1 126072412 CBUBBZQSPORMRU-UHFFFAOYSA-N 318.159 5.190 30 10 DKEE CCCCCCCCCCCC[C@@H](CSC(C)(C)C)NN 126604859 GUKLZPZXNICZOV-KRWDZBQOSA-N 316.599 5.661 30 10 DKEE C=CCCCCC[C@H](Cc1ccc(Cl)cc1Cl)NC 234450303 BOACKJLZUFRYHK-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE CC1(C)CCC[C@@H](Nc2ccc(C#N)c(Br)c2)CC1 312030505 XYGUJORDKLAADQ-CYBMUJFWSA-N 321.262 5.092 30 10 DKEE C=C(CC)C[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 407901159 KHMUJBNWIJMQRZ-AWEZNQCLSA-N 324.852 5.043 30 10 DKEE CCCCCCCNc1cc(C)cc(NC(=O)OC(C)(C)C)c1 687311028 WLJJNXRHIAEABV-UHFFFAOYSA-N 320.477 5.724 30 10 DKEE C[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698890408 INBINDMNEREHNQ-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CCC(CC)(CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 710716260 LWSBNQJPRNBQCX-MRXNPFEDSA-N 322.493 5.275 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC12CCC2 1938737589 GEOUDAFJFDNKBZ-BEFAXECRSA-N 320.477 5.029 30 10 DKEE C=CCC[C@H](C)[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1975903404 UYZAJALIGVWODD-UWJYYQICSA-N 310.437 5.075 30 10 DKEE C=CC[C@H](NCCC)c1cc(Cl)c(C)c(Br)c1 2002243098 WJCSXNWTEPHHEB-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE C=CC1(CCc2c(F)ccc(Br)c2F)CCC1 2002619142 BHZVLVZOLCYEPP-UHFFFAOYSA-N 301.174 5.016 30 10 DKEE CCCCCCC[C@](C)(O)c1c(F)cccc1Br 2053179987 SSLTUVFSKXFTKW-HNNXBMFYSA-N 317.242 5.156 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc3cccc(Br)c3o2)CC1 2124848015 QGGLGVRWWIFYIQ-SNVBAGLBSA-N 319.198 5.124 30 10 DKEE C=CCCCCC[C@@H](COc1ccc(Cl)cc1Cl)NC 2152446459 OZCODTXIIMACDD-AWEZNQCLSA-N 316.272 5.097 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 2179252615 ATZBHDGHSMTCHL-CQSZACIVSA-N 308.771 5.753 30 10 DKEE C[C@](F)(CNc1ccc(SC(F)(F)F)cc1)C(F)(F)F 2191830220 RCOUDVPAQJLFPB-VIFPVBQESA-N 321.261 5.001 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2236302683 WLFDOZWARVTURM-CQSZACIVSA-N 305.771 5.495 30 10 DKEE C=C[C@H](CCCCC)Oc1nc(Cl)nc2sc(C)cc12 2239502153 ILGPUDGNNANWPC-LLVKDONJSA-N 310.850 5.167 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)C1=CC[C@H](C(C)C)CC1 2286479942 TVBWQXDNKJMSFP-LBPRGKRZSA-N 311.252 5.867 30 10 DKEE CCCCCCCCN(C)Cc1c(Cl)ccc(Cl)c1N 2286928989 RYQCWUMSIFDUEO-UHFFFAOYSA-N 317.304 5.368 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1CCN 2287096181 ICHXYASQOUMTGT-UHFFFAOYSA-N 311.922 5.460 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1cc(Cl)ccc1Cl 2289722183 VIWJRRDAVAWYND-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1ccc(Cl)s1 2291753332 LBZFPYYHVMIQAC-GFCCVEGCSA-N 316.850 5.070 30 10 DKEE CN(CCCCCCCS)CC[C@@H](C(F)F)C(C)(C)C 2294770992 QJPZSCAIMJHJMV-AWEZNQCLSA-N 309.510 5.116 30 10 DKEE C=CCC(CC=C)OCc1cc(Br)ccc1Cl 2298828785 QRFGNFUSZJTAOI-UHFFFAOYSA-N 315.638 5.140 30 10 DKEE C=CCC(CC=C)SCc1cc(F)cc(Br)c1 2298918480 XAOANOUNWSGKMS-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Br)cc1CC 2321221451 ADSCGYOVPIIKKB-JKSUJKDBSA-N 311.263 5.037 30 10 DKEE CCc1ccc(C(=O)C=Cc2c(OC)ccc3ccccc23)cc1 2322353656 DOQGECPRSFXVEC-UHFFFAOYSA-N 316.400 5.307 30 10 DKEE CC(C)c1ccc(C(=NOCc2ccc(C#N)cc2)C2CC2)cc1 2330303512 BSYLUFNGXOLSNL-UHFFFAOYSA-N 318.420 5.013 30 10 DKEE C=CCC[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2347980376 IVYNSFDWERPLRY-HNNXBMFYSA-N 324.306 5.300 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349844350 FKAAHEOSWIZWOK-BMIGLBTASA-N 304.236 5.385 30 10 DKEE CCCCCCCCC(=O)c1cc(F)c(Cl)c(Cl)c1 2352382632 GIOQRQUPDXRQSD-UHFFFAOYSA-N 305.220 6.066 30 10 DKEE C=CCC(CC=C)C(=O)c1c(Cl)cccc1C(F)(F)F 2364086666 NEMRKKGANLYKGV-UHFFFAOYSA-N 302.723 5.310 30 10 DKEE C=CCCCCCCCNCCc1cc(Cl)cc(Cl)c1 2366940495 AZEACUDFLZECLV-UHFFFAOYSA-N 314.300 5.652 30 10 DKEE C=CCCCCCCCCNCc1ncc(C(F)F)s1 2369558810 ZSCSHXGTFWAGRJ-UHFFFAOYSA-N 302.434 5.087 30 10 DKEE CCCCCCCCNC(=O)C(c1ccccc1)c1ccccc1 3147264 UBVICKWHWACNQY-UHFFFAOYSA-N 323.480 5.295 30 10 DKEE COc1cc(C)c(C(=O)/C=C/c2cccs2)cc1C(C)C 83193354 IFWLKBOAJKWFOP-BQYQJAHWSA-N 300.423 5.085 30 10 DKEE CCCC(CS)(CCC)COc1cc(Cl)ccc1Cl 94582518 JJMWDCYKNUBLAV-UHFFFAOYSA-N 321.313 5.889 30 10 DKEE C=C(C)C#C[C@@](C)(O)[C@H](C)CSCCCCCCCCC 95786105 VYZBRGJPPSIOLK-RTBURBONSA-N 310.547 5.437 30 10 DKEE Cc1ccc(C)c(C(=O)/C=C\Nc2cc(Cl)ccc2Cl)c1 103031012 KKOZROXXJILOBA-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE CCCCCCCCCCC(=O)Nc1cccc(C(C)=O)c1 105478690 VVZGHTLYLLBBFS-UHFFFAOYSA-N 303.446 5.359 30 10 DKEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)cc1Cl 127740339 UYGAGVVHUNJLHD-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCC1CCC(C#N)(Cc2cccc(F)c2Br)CC1 157842493 JQQRZKGPBQFNGO-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)c1ccc(C)s1 162310914 XEVAMLGXTMBSSB-GOSISDBHSA-N 309.563 6.628 30 10 DKEE CCCCCCC[C@H]1C(=O)Nc2c(Cl)cc(Cl)cc21 232946175 SUIMPZIYZYNPED-LLVKDONJSA-N 300.229 5.390 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 308053566 JFOQZVYXJMMENJ-WCQYABFASA-N 312.240 5.242 30 10 DKEE CC1(C)OB([C@@H]2C[C@@H]2c2ccc(-c3ccccc3)cc2)OC1(C)C 310636520 QYUNZSAOMOOFPS-RTBURBONSA-N 320.241 5.303 30 10 DKEE C[C@@H](Nc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1F 692315593 BOLANXWGTKRBMV-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=C1CCC(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 724451704 PWWWAMICPPRPNJ-LLVKDONJSA-N 316.247 5.530 30 10 DKEE CC[C@@H](C)c1ccc(N=Cc2cccn2-c2ccccc2)cc1 1084135540 RRDNCEFWPMCZGD-QGZVFWFLSA-N 302.421 5.741 30 10 DKEE CCCCCCCCCc1cnccc1-c1csc(S)n1 1860813139 VKEDBTRZRQKKPV-UHFFFAOYSA-N 320.527 5.787 30 10 DKEE COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874584107 WYKJOMFONQFTAY-CSKARUKUSA-N 314.812 5.368 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](NCC)c1cscc1Cl 1921151018 JVVLFGHTXTXKMD-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE C=C(COCc1ccccc1)[C@H](O)C1CCC(CCCC)CC1 1922071125 HHDXTPPEJPNEGK-MNLRITNHSA-N 316.485 5.117 30 10 DKEE C=C([C@@H](NCCC)c1csc(Br)c1)C(C)(C)C 1947441443 XCIAFMQJLDPQKA-CYBMUJFWSA-N 316.308 5.154 30 10 DKEE CCCCCCCCC[C@@H](N)C1CC(OCc2ccccc2)C1 1976723468 OMZIEUPDQLYJQD-XVAXZDLZSA-N 317.517 5.450 30 10 DKEE C=C(C)CCCN[C@H]1CCC(C)(C)C[C@@H]1OCc1ccccc1 1977490734 VWOFSWWABIFQNY-PMACEKPBSA-N 315.501 5.096 30 10 DKEE C=CCCCCCC[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 1995169098 MODZPMSWXLCBKK-IBGZPJMESA-N 320.477 5.196 30 10 DKEE C=CCCCC[C@@H](O)c1cc(Cl)c(C)c(Br)c1 2009525267 IEJBIMMHDZDZTC-CQSZACIVSA-N 317.654 5.191 30 10 DKEE C=CCCCCCC[C@H](N)c1scc(C)c1Br 2026001138 DBOHHTFUBMWMOA-LBPRGKRZSA-N 316.308 5.345 30 10 DKEE C=CCCCCCC[C@@H](N)c1cccc(OCc2ccccc2)c1 2026021995 PIMVTUBXGDAMRG-JOCHJYFZSA-N 323.480 5.792 30 10 DKEE Cc1ccc(C(=O)C2=CCC(C)(C)CC2)c(C)c1Br 2125219410 NWZQTCUSGRBRPX-UHFFFAOYSA-N 321.258 5.385 30 10 DKEE CC(C)C(CCNc1ccc(Br)c(C#N)c1)C(C)C 2132738308 DEIBMUBIHXYISS-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE C=C([C@H](NCC)c1cc(-c2cccs2)cs1)[Si](C)(C)C 2164122414 KLLZNFOJYSLYFD-INIZCTEOSA-N 321.587 5.561 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1cc(Cl)ccc1Cl 2206897500 BTMOBAANOBGLJG-MRXNPFEDSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1csc(Cl)c1 2207451459 XNFZCNMZULZFMV-INIZCTEOSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCCNc1cscc1Br 2211144417 DFFGMMGZZONEKX-UHFFFAOYSA-N 302.281 5.449 30 10 DKEE C=CCCCCCCCNc1cccc(C)c1Br 2220089859 AIZHNHYQHOKSLZ-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE C=CCCCCCCCC(=O)c1csc(C(F)(F)F)c1 2235533869 WCAOXKVDONAAKE-UHFFFAOYSA-N 304.377 5.866 30 10 DKEE CCCCCCCCCCCCOCCCCC(N)=S 2239549763 SBDHSBMLQMQMBW-UHFFFAOYSA-N 301.540 5.380 30 10 DKEE CCCCCCCCC[C@@](C)(C#N)N(CC)C(=O)OC(C)(C)C 2246061774 RVIXSUOBPJZWKQ-IBGZPJMESA-N 324.509 5.666 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 2287409143 QMIIGPFBNCFTLN-CQSZACIVSA-N 306.755 5.529 30 10 DKEE CN(CCCCCCCS)CC(F)(F)C1CCCCC1 2294778113 YDOLZSAKGZFVCU-UHFFFAOYSA-N 307.494 5.014 30 10 DKEE CC(C)(C)[C@](C)(CS)COc1cc(Cl)cc(Cl)c1 2327165204 HVDVDZFPVCXNML-AWEZNQCLSA-N 307.286 5.354 30 10 DKEE C=C1[C@@H](C=Cc2ccoc2)[C@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O 2333301286 RHCBUXSXDFNUAG-MLYOOKFZSA-N 300.442 5.062 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2335361663 SFFJFWHGEFXHKA-QMTHXVAHSA-N 304.236 5.385 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccc(F)c(C)c1Cl 2364611153 WUAZMXMKDOYVDH-OAHLLOKOSA-N 300.845 5.442 30 10 DKEE Cc1cc2nc(CCC3CCCCC3)n(CCCC#N)c2cc1C 57869035 GMMLDTUEJLAVRJ-UHFFFAOYSA-N 323.484 5.470 30 10 DKEE CC1(C)CCC[C@@H](Nc2ccc(C#N)cc2Br)CC1 86901801 UVBPNZQAZNSVOY-CYBMUJFWSA-N 321.262 5.092 30 10 DKEE N#CC1(Sc2cccc(Br)c2)CCCCCC1 90247909 GEAPIBGMQIHBBF-UHFFFAOYSA-N 310.260 5.158 30 10 DKEE CCCCCCC#CCN(Cc1ccccc1)Cc1ccccc1 100292530 ZKVZVRXIJKKGPP-UHFFFAOYSA-N 319.492 5.663 30 10 DKEE CCCCCCCCC(=O)Cc1ccc(Br)cc1 103940553 WYDLWGCZQBSCDW-UHFFFAOYSA-N 311.263 5.311 30 10 DKEE CCC#C[C@@H](C)[C@@H](C)c1ccc(OCc2ccccc2)cc1C 107616810 BOBMSGVSYKFSKZ-IEBWSBKVSA-N 306.449 5.727 30 10 DKEE CCCCCCCCC[C@H](CNC)Cc1ccccc1Cl 110192435 RSYDISCCCQXHGQ-KRWDZBQOSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCCCC[C@@H](C)CNCC(F)(F)F 122365443 YNRCJYVMOLTYRV-MRXNPFEDSA-N 309.460 6.085 30 10 DKEE Cc1ccc(Sc2cc(Br)ccc2C#N)cc1C 124354158 BQHKQICRBDWKBB-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCCCCCn1c(N)nc2cccc(Cl)c21 129440551 GPROSGKTDVRDEF-UHFFFAOYSA-N 307.869 5.413 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cccc(Cl)c1Cl 157914257 CQOOMAYBBKJGRO-MRXNPFEDSA-N 316.316 6.395 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(Cl)cc1Cl 159160025 BWQUDHZFDGXTQO-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE Cc1ccc(Br)cc1C(=O)C1=CCCCCCC1 235768569 VKFNWYJXNLQPQY-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE N#Cc1ccc(CSc2cc(Cl)cc(Cl)c2)c(F)c1 311937921 FQJXTWQAVLHVJD-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CCCCCCCCC[C@H](N)c1cscc1C(F)(F)F 383855046 WUNVHJIFDIMQAV-AWEZNQCLSA-N 307.425 5.907 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)CCC1CCCCC1 698409567 VDHQIWMVWUDXAT-WBVHZDCISA-N 322.493 5.275 30 10 DKEE C=CCC[C@@H](C)Nc1cc(NC(=O)OC(C)(C)C)ccc1Cl 703229152 IDFZLNYFDHTCOP-GFCCVEGCSA-N 324.852 5.454 30 10 DKEE CSc1c(CC#N)cc(SC(F)(F)F)c2ccsc12 725318267 BKQIGFRNWLXVBV-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE Fc1ccc(F)c(C#Cc2cc(C(F)(F)F)ccc2Cl)c1 725391865 VKMNSKPKRGYERY-UHFFFAOYSA-N 316.656 5.037 30 10 DKEE CC(C)c1ccc(C#Cc2ccccc2OC(F)(F)F)cc1 1614825546 LGINOJPHCWXSTN-UHFFFAOYSA-N 304.311 5.108 30 10 DKEE CCCCCCCCCCNC(=O)CCc1ccc(CC)cc1 1859577858 SLVVYMCHBODOAW-UHFFFAOYSA-N 317.517 5.439 30 10 DKEE C=C1CCC(C[C@@](O)(CC)c2cccc(Br)c2)CC1 1886406102 WOVNAJPCVNHJQN-KRWDZBQOSA-N 323.274 5.183 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](NCC)c1cscc1Cl 1921151011 JVVLFGHTXTXKMD-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCCC12CCC2 1921658391 TZHDRAZDZFGYGT-KRWDZBQOSA-N 318.258 5.164 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1sc(C)cc1Br 1978610149 GNNPIBKLKUXHQK-NSHDSACASA-N 322.699 5.002 30 10 DKEE C=CCCN(Cc1ccccc1)c1cccc(C)c1CNC(C)C 2020023534 JSLFDUCZTKPJOW-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=C([C@H](NC)c1c(Cl)ccc(Cl)c1Cl)C(C)(C)C 2045677083 YUKDMAHENLMRCZ-ZDUSSCGKSA-N 306.664 5.510 30 10 DKEE CCOc1cc(C(F)(F)F)c(C(F)F)c(C(F)(F)F)c1 2060225950 OXSRMDGQUQHVLU-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE C=C1CCC(CNc2cc(C)c(Br)cc2C)CC1 2083385997 MCGWXBOPXKPPHU-UHFFFAOYSA-N 308.263 5.224 30 10 DKEE C=CCC[C@@H](C)C[C@H](NCCC)c1ccc(Br)cc1 2113420772 BCVRQMHUVNFTJG-PBHICJAKSA-N 324.306 5.482 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc(C)ccc2Br)C1 2125735427 JVRPFNXWQSFBIF-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](C)S1 2151679256 OBAWZVIQRHARIV-FGTMMUONSA-N 300.552 5.942 30 10 DKEE C=C([C@H](Cc1ccc(Cl)c(Cl)c1)NCCC)C(C)(C)C 2152940974 FLJJELNQUSCPAY-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 2158329418 WNJMJHMBABAQJW-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C[C@@H](Cc1ccsc1)N(C)CCCCCCCCCS 2170253061 CAXBNSDCZGWNJX-INIZCTEOSA-N 313.576 5.271 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1cc(Cl)ccc1Cl 2173629151 LRUYTMWHDIRAST-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1csc(Cl)c1 2235519318 OMEYACFIHSAIJH-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE CCCCCCCCCCCCCCOC[C@@H](C)CS 2239503581 WPBNJWUVFZWZJA-GOSISDBHSA-N 302.568 6.270 30 10 DKEE C=C(C)CCCNCc1cc(Br)cc(C(C)C)c1 2254750754 MQORLIYIMDVEFB-UHFFFAOYSA-N 310.279 5.018 30 10 DKEE C[C@H](CC(C)(C)C#N)SCc1cccc(Br)c1 2302457456 RNNCCVFGRXHKJO-LLVKDONJSA-N 312.276 5.011 30 10 DKEE CCN(CC)c1ccc(C=CC(=O)c2cc3ccccc3o2)cc1 2313676819 KUAVDBXVKNBMRJ-UHFFFAOYSA-N 319.404 5.175 30 10 DKEE CC(C)(C)[C@@](C)(CS)COc1ccc(Cl)cc1Cl 2327098708 BPSXDRCTAQQVGH-CQSZACIVSA-N 307.286 5.354 30 10 DKEE CCCCCCCCCCNC(=O)C=Cc1cccc(F)c1 2328977904 IICZFNQQTYUZGU-UHFFFAOYSA-N 305.437 5.096 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(OC)c(Cl)s1 2340344408 OQYPNDMZNDSKOX-LBPRGKRZSA-N 301.883 5.197 30 10 DKEE C=CCC(CC=C)Sc1sc(CNCCC)c(C)c1C 2360377474 WLEAFSDVBIJPGL-UHFFFAOYSA-N 309.544 5.477 30 10 DKEE CCc1ccccc1/N=C(\Oc1ccc(F)cc1)c1ccccc1 1953017 GYGZPCLGWMFQCB-LNVKXUELSA-N 319.379 5.545 30 10 DKEE CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]2CC1=O 15168070 DGCSFZBBNZMTAQ-UYAOXDASSA-N 300.442 5.334 30 10 DKEE biogenic N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 20699354 NLYKBTGKQORCRM-MDZRGWNJSA-N 306.796 5.038 30 10 DKEE N#C[C@@H](C(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 37345362 DSQSFADTURNQFA-LLVKDONJSA-N 324.594 5.137 30 10 DKEE C=CCc1cc(C=O)cc(C(C)(C)C)c1OCCCCCC 66117777 JSNZKKXVRRBKQV-UHFFFAOYSA-N 302.458 5.484 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](O)c1ccoc1 85698520 HJODEDKXJPYIBN-PNYFIKQUSA-N 302.458 5.502 30 10 DKEE biogenic CCCC(CS)(CCC)CN1C[C@H](C)Cc2ccccc21 94577750 FOOCWHTTYSDVQB-MRXNPFEDSA-N 305.531 5.202 30 10 DKEE CCCCCCCOc1ccc([C@H](CC)NCC2CC2)cc1 100047128 SMNYOGLGRQUHAP-FQEVSTJZSA-N 303.490 5.487 30 10 DKEE CCCCCCCC[C@H]1C[C@H]1C(=O)Nc1cccc(CC)c1 100964071 CCZINWJAVMHNRR-PKOBYXMFSA-N 301.474 5.574 30 10 DKEE CCCCCCCOc1ccccc1CCCNCC(C)C 106534419 IKTDSIZTGVCCAR-UHFFFAOYSA-N 305.506 5.214 30 10 DKEE CCCCCCCCOc1ccc(Br)c(F)c1 115944603 ZNJCWEYACQAENB-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(C(F)(F)F)cn1 139645068 FDYSLBKDFVGEPS-CQSZACIVSA-N 302.384 5.112 30 10 DKEE CCCCCCCCCC[C@H](NC)C1CCC(F)(F)CC1 143463706 XQLXPHUXRPOACJ-KRWDZBQOSA-N 303.481 5.931 30 10 DKEE CCCCCCCC[C@H](O)c1c(F)c(F)c(F)c(F)c1F 168329746 OLEHUUQTVUJLAV-VIFPVBQESA-N 310.306 5.166 30 10 DKEE CCCCCCCNc1cc(NC(=O)OC(C)(C)C)ccc1F 227600545 BUAUDPQJEUHBSB-UHFFFAOYSA-N 324.440 5.555 30 10 DKEE CCCCCCCCCCCCS[C@@H]1CCCCC1=NO 254823855 RVWHHVNHRGDTHX-GOSISDBHSA-N 313.551 6.413 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1ccc(Br)o1 378931869 XHDCYSVTTUPSQQ-CYBMUJFWSA-N 316.283 5.053 30 10 DKEE CCCCCCCCCC[C@H](O)CCOCc1ccccc1 395575891 UZVPCOMEEZPZFP-FQEVSTJZSA-N 306.490 5.485 30 10 DKEE C=CCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 407218005 ODHZYGZJOWUBEO-AWEZNQCLSA-N 324.852 5.043 30 10 DKEE CCCC[C@H](CC)COC(=O)[C@@H](S)[C@@H](CCC)CCCC 585670210 KBNKGAPTANRYDF-ULQDDVLXSA-N 316.551 5.651 30 10 DKEE CCCCCCCNc1cc(F)c(Br)c(F)c1 689659627 VWAYMRLAXYKDFP-UHFFFAOYSA-N 306.194 5.110 30 10 DKEE C=C1C[C@H]2CC(NCc3ccc(Cl)c(Cl)c3)C[C@@H](C1)C2 701740718 IOBHHSKDDNNVEZ-YIONKMFJSA-N 310.268 5.218 30 10 DKEE Clc1ccc(C=Nc2ccccc2Cc2ccccc2)cc1 1848352855 GDHNQCMWBGSWPJ-UHFFFAOYSA-N 305.808 5.681 30 10 DKEE Fc1ccc(C(F)F)cc1-c1c(F)c(F)c(F)c(F)c1F 1848358802 DANGJTUUCKOTEC-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CCCCCCCCCNC(=O)CC(C)(C)c1ccccc1 1860365434 PXASZIRJVIJPEX-UHFFFAOYSA-N 303.490 5.221 30 10 DKEE C=CCN(Cc1ccccc1)c1ccccc1[C@@H](CC)NCCC 1914961998 KSNRGJZUZUFFJC-OAQYLSRUSA-N 322.496 5.330 30 10 DKEE CCCCCCC[C@@H](N)c1cscc1OCc1ccccc1 1934839338 QVTSAFYDIXSWCN-GOSISDBHSA-N 317.498 5.687 30 10 DKEE CCCCCCCCCc1cc(CNCc2ccccc2)on1 1991522224 JYDBWCOQUSEGTI-UHFFFAOYSA-N 314.473 5.258 30 10 DKEE C=C(c1ccccc1)[C@@H](O)c1cscc1OCc1ccccc1 1991738828 MAWXPEMKXAWTKO-HXUWFJFHSA-N 322.429 5.074 30 10 DKEE O=C(C1=CCCCCC1)C1CC2(CC(OCc3ccccc3)C2)C1 1997669021 KAXWWJCJUIJUCS-UHFFFAOYSA-N 324.464 5.222 30 10 DKEE CC#CCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2083498832 XLMAHDRRANLVPK-JTQLQIEISA-N 304.648 5.101 30 10 DKEE CCCCCCCOc1ccc(Cl)c([N+](=O)[O-])c1Cl 2098381337 DGFSHNLGUOLQMM-UHFFFAOYSA-N 306.189 5.251 30 10 DKEE C=CCCCCCC[C@H](O)Cc1c(Cl)cccc1Cl 2141908519 NQKWAPOWLJSJBF-ZDUSSCGKSA-N 301.257 5.423 30 10 DKEE C=C(C)C[C@@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2164105938 WWCJJUIKCSAUQK-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(-c2cccs2)cs1 2179683528 VMLAKFJPLNKRPU-OAHLLOKOSA-N 305.512 5.874 30 10 DKEE C=C1CC(C[C@@H](N)c2ccc(-c3cccc(Cl)c3)s2)C1 2182170451 GQRQGTUQHQQKKK-OAHLLOKOSA-N 303.858 5.425 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1ccc(Cl)cc1Cl 2196169533 GTZIKTNZRBVYSH-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE SCC1(CSc2nc(-c3ccccc3)cs2)CCC1 2225895655 DYYOBJCWWJFDOA-UHFFFAOYSA-N 307.509 5.002 30 10 DKEE C=CCCCCCCN[C@H](C)c1cc(Cl)cc(Cl)c1 2229698230 YKAXRAKNYPKPRU-CYBMUJFWSA-N 300.273 5.781 30 10 DKEE C=CCCCCCCCNCc1cscc1C(F)(F)F 2235519592 RJHOCAHOYQXCPV-UHFFFAOYSA-N 305.409 5.383 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2236310891 RRRMIVRLZJOZQT-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@@]1(C)C(=O)CCN1Cc1ccccc1 2246068261 YZJMHNQWGAHJGL-NRFANRHFSA-N 315.501 5.361 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Cl)c(O)c(Cl)c1 2278792461 AZZLXMNRZUFMLB-CQSZACIVSA-N 302.245 5.225 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@@H](CSC)C(C)(C)C 2295682070 MIIBHDNNFOBABH-SJORKVTESA-N 301.584 5.883 30 10 DKEE C=CCC(CC=C)C(=O)c1cc(Cl)cc(Br)c1 2301019142 IUMAJHUZWRFEBU-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(C)cc1C 2330259205 ZVSVPEFZMAVRET-UHFFFAOYSA-N 301.817 5.288 30 10 DKEE C#CCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 39908476 GTRIHVWVVIQNTO-QGZVFWFLSA-N 316.448 5.020 30 10 DKEE CCCCCCCOc1c(Cl)cc(Cl)cc1C(=O)O 59300146 ZCEIEXCRRFWYGQ-UHFFFAOYSA-N 305.201 5.041 30 10 DKEE Cc1ccsc1/C=N/c1ccc(/N=N/c2ccccc2)cc1 100031589 LGRMKKWWHAFBEM-NFRJKQOXSA-N 305.406 6.223 30 10 DKEE CCCCCCCCCCN[C@H]1CCSc2ccccc21 105838668 XQAGILAHIIMWSH-SFHVURJKSA-N 305.531 5.954 30 10 DKEE CCCCCCCCCC[C@H](Cc1ccc(Cl)cc1)NC 109722899 CLXBIPGXPOHEBE-LJQANCHMSA-N 309.925 6.001 30 10 DKEE CCCCCCCCCC[C@@H](N)Cc1ccc(F)cc1Cl 109744864 CVOQYKCBDWUQTI-QGZVFWFLSA-N 313.888 5.880 30 10 DKEE CCSc1cccc(Sc2ccc(Cl)cc2)c1C#N 136987768 QJZZVSABCZCYRW-UHFFFAOYSA-N 305.855 5.475 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 158118452 LALYMZDIMLTQFD-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE C=CCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 233602987 UTIMQUIXKZMNIA-OAHLLOKOSA-N 314.300 5.651 30 10 DKEE C=CCSc1ccccc1NCc1cc(Cl)ccc1Cl 236054889 GFABIJKACFVYHG-UHFFFAOYSA-N 324.276 5.884 30 10 DKEE COc1ccc2ccccc2c1C=Nc1cccc2ccccc12 254520584 ZFSXEQNLBWUELI-UHFFFAOYSA-N 311.384 5.752 30 10 DKEE C#C[C@H](Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 378655296 AEUQUCVLIYSAFJ-AWEZNQCLSA-N 310.611 5.433 30 10 DKEE CC(C)(C)C#CCNc1ccc(Br)c2ccccc12 381639356 FBNKMVJJDJHKCF-UHFFFAOYSA-N 316.242 5.064 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)cc(F)c1F 691249354 AKXCBWAQUDZFCX-HNNXBMFYSA-N 303.824 5.759 30 10 DKEE C=CCC1(NCc2ccc(OCc3ccccc3)cc2)CCCC1 700655456 VUXMZEUROILKLU-UHFFFAOYSA-N 321.464 5.244 30 10 DKEE CCCCCCCCC[C@H](O)C[C@H](C)COCc1ccccc1 719511685 XFIBPWFCKJEMNM-FPOVZHCZSA-N 320.517 5.731 30 10 DKEE C=C1CCC(CC(=O)c2cc(Br)ccc2C)CC1 724580030 SMAJQZPHGPCAQZ-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE CCCCCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1)C2=O 1871399442 LIQACVNWFITDQU-UYRXBGFRSA-N 322.404 5.180 30 10 DKEE CC(C)(C)[C@](C)(CS)CN(Cc1ccccc1)C1CCC1 1893597985 WQBYLKIVWHQKGL-IBGZPJMESA-N 305.531 5.023 30 10 DKEE CCC(CC)C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911715791 HJNMRASCSSTVSF-UHFFFAOYSA-N 317.429 5.052 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(Cl)c(F)c1F 1923353167 YFSHVFRGDLSALB-CQSZACIVSA-N 303.824 5.629 30 10 DKEE C=CCC[C@H](C)n1ccc2cc(OCc3ccccc3)ccc21 1975919319 APNNUUPTRRMAHO-KRWDZBQOSA-N 305.421 5.748 30 10 DKEE C=CCCCCCC[C@]1(O)CCCC[C@@H]1OCc1ccccc1 1995168624 GMYOKZHKALAKFM-SFTDATJTSA-N 316.485 5.404 30 10 DKEE C=CCC[C@H](C)[C@@H](O)c1cc(Cl)c(C)cc1Br 1996464250 QIKLPQKQFUJYOQ-LKFCYVNXSA-N 317.654 5.047 30 10 DKEE CCCC[C@@](C)(C#N)Cc1ccc(Cl)cc1Br 2000521092 RAIVHVWYOPMWBF-CQSZACIVSA-N 314.654 5.365 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(-c2ccccc2F)s1 2164107299 KBFLWQIATYCAAH-CQSZACIVSA-N 309.837 5.347 30 10 DKEE C=C1C[C@H]1C[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164167813 GUUYOXYEWYDSFI-DZGCQCFKSA-N 303.858 5.295 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1cc(C)c(Cl)s1 2165333455 PHGMQRBSGWEBPP-OAHLLOKOSA-N 316.894 5.453 30 10 DKEE C#CC[C@H](CN[C@H](CC)c1ccc(Cl)cc1Cl)C1CC1 2196812853 VOKLFYXJSRHMMA-CXAGYDPISA-N 310.268 5.084 30 10 DKEE CCCCCCCC[C@@H](C)NCCCCOCc1ccccc1 2212663271 CQYULUZDHGSFIB-HXUWFJFHSA-N 319.533 5.712 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1cc(Cl)ccc1Cl 2231485252 ZWJOCARLLLDNAD-QWHCGFSZSA-N 300.273 5.116 30 10 DKEE CCCCCCCN(C)c1cc(Cl)c([N+](=O)[O-])cc1Cl 2234441264 RPCURCKSSIAMDT-UHFFFAOYSA-N 319.232 5.308 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1sccc1Cl 2278231592 ZZQAEZICSWGYAR-CQSZACIVSA-N 301.927 6.020 30 10 DKEE Cc1cc(Cl)c(Cl)cc1N[C@H](CC#N)c1ccccc1 2281493323 BFAZFZFDLWIJNX-OAHLLOKOSA-N 305.208 5.369 30 10 DKEE CCCCCCCCCN1CCC(SC(F)(F)F)CC1 2289989673 JTJDACPDCMMUBR-UHFFFAOYSA-N 311.457 5.454 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2321103415 ZHQSMJJSUCFTID-YMTOWFKASA-N 306.664 5.510 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Br)cc1CC 2321221449 ADSCGYOVPIIKKB-HOTGVXAUSA-N 311.263 5.037 30 10 DKEE C=CC[C@H]1CCC[C@@H]1NCc1c(Cl)ccc(Cl)c1Cl 2337094729 SDHMUNAVHRBROR-HZMBPMFUSA-N 318.675 5.481 30 10 DKEE C=CC1(COc2ccc(Br)cc2C(C)(C)C)CCC1 2341002783 BSYLUXCBMZKSIA-UHFFFAOYSA-N 323.274 5.482 30 10 DKEE CC(C)(C)[C@](C)(CS)COCc1ccc(Cl)cc1Cl 2352110545 OEPKSFDDFHPIKJ-HNNXBMFYSA-N 321.313 5.492 30 10 DKEE CCCCCCCC[C@@H](C)NCc1ncc(C(F)F)s1 2369597873 IIUNEHAYQVOWFV-GFCCVEGCSA-N 304.450 5.309 30 10 DKEE C=CC[C@](C)(CC)C(=O)CCCc1cc(Cl)cc(Cl)c1 2370512089 YLEPHOHEDHWNNB-KRWDZBQOSA-N 313.268 5.878 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2370521271 IEQCEUPKCOSMCX-IAQYHMDHSA-N 316.272 5.255 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2377347129 ZHGLGBCOTQQIPP-INIZCTEOSA-N 320.279 6.144 30 10 DKEE N#Cc1ccc(Oc2ccc3cc(Br)ccc3c2)cc1 21019829 LAJYOCVZAXXKON-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2CC1 34130230 BGCXKCIPDDNDEV-GBMAXXPESA-N 316.485 5.295 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 42784524 KSVLDJIGCFTTDY-UHFFFAOYSA-N 302.245 5.683 30 10 DKEE Clc1ccc(/C=N/c2ccc3ccccc3c2)c(Cl)c1 59518382 OYAIINMKLJFQDY-RGVLZGJSSA-N 300.188 5.897 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(F)c(Br)c2)C1 87972798 BTXONSGPBMIKHR-LRDDRELGSA-N 324.237 5.241 30 10 DKEE CCCCCCCOc1ccc([C@@H](CC)NCC(C)(C)C)cc1 100047817 QLYMJMGKZXNHSR-HXUWFJFHSA-N 319.533 6.123 30 10 DKEE CCSc1cccc(Oc2cccc(Cl)c2Cl)c1C#N 136706991 UQBXUMHQBVIDFS-UHFFFAOYSA-N 324.232 5.769 30 10 DKEE CSc1ccc(C=Nc2ccc(OC(F)(F)F)cc2)cc1 252461434 MIVDFDQDGWBWGK-UHFFFAOYSA-N 311.328 5.058 30 10 DKEE C[C@@H](O)c1ccc(C#N)cc1Sc1cc(Cl)cc(Cl)c1 312268957 PVJDNTSNFPEKGJ-SECBINFHSA-N 324.232 5.070 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Sc1ccc(Cl)cc1Cl 322709370 PMBTUAVCLZRGOU-GWCFXTLKSA-N 300.254 5.558 30 10 DKEE CC[C@@H]1CCC[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC)C1 698403855 AMFZBMQZRFJFBY-WCXIOVBPSA-N 322.493 5.131 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCCCCC 698940054 IOMWCWMTLHXXCC-SFHVURJKSA-N 308.466 5.052 30 10 DKEE CCCCCCCOC[C@H](N)c1cc(F)c(Cl)cc1Cl 709569779 PAKGWFZKZNDWAN-HNNXBMFYSA-N 322.251 5.119 30 10 DKEE Clc1ccccc1/C=C\C=NNc1nc2ccccc2s1 1083879191 URJFFDOXXDZWRF-ALFSFNGHSA-N 313.813 5.061 30 10 DKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCCC)c2)cc1 1874593312 CUTUUQSXJWHCNI-NTCAYCPXSA-N 322.448 5.714 30 10 DKEE CC(C)=C(CSC[C@H]1CC[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 1901712253 XFJPNBKFZDQTER-CABCVRRESA-N 324.339 5.124 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C(C)(C)C)c1 1975570105 DIVBETWQMQDYGU-IBGZPJMESA-N 316.445 5.065 30 10 DKEE C=CCCCCCCCCCN(CCOC)Cc1ccccc1 1995320423 UIXCVELZGDAFAL-UHFFFAOYSA-N 317.517 5.442 30 10 DKEE C=CCCCCCCCCN[C@H](C)CCOCc1ccccc1 1995326018 RVLPHASAHAWGEF-HXUWFJFHSA-N 317.517 5.488 30 10 DKEE CCCC[C@](C)(C=O)Cc1cc(Cl)ccc1Br 2000502157 KRSBKQKWRCXGPW-AWEZNQCLSA-N 317.654 5.040 30 10 DKEE CCCC[C@](C)(C#N)[C@H](O)c1ccc(OCc2ccccc2)cc1 2000513532 KVVOJZBTZINVSM-NHCUHLMSSA-N 323.436 5.019 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cccc(Br)c2Cl)CC1 2010608498 JEWZNJLAFJXBAO-SECBINFHSA-N 313.622 5.032 30 10 DKEE CCc1ccc(OC(F)(F)F)c(C(F)F)c1C(F)(F)F 2060351056 KHGYSFMAWDUWMI-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CCc1ccc(C#N)c(Sc2cccc(Br)c2)c1 2068516223 OQTAHBQDJWKADO-UHFFFAOYSA-N 318.239 5.034 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Br)c(C)c1)C(C)(C)C 2096634185 UQIJDVQMZGFLNR-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1cc(Cl)ccc1Cl 2108212664 DIBCVVYIDGQBRL-CABCVRRESA-N 300.229 5.137 30 10 DKEE C=C1CCC(C[C@H](NCCC)c2cc(Cl)sc2C)CC1 2164207468 UXCHIRGKNXVHQY-INIZCTEOSA-N 311.922 5.887 30 10 DKEE CN(CCCCCCCCCS)C1CCC(C)(F)CC1 2174189538 UPQHQVDWOOEGDH-UHFFFAOYSA-N 303.531 5.250 30 10 DKEE C=CCCCCCCCCC[C@H](NN)c1cc(Cl)cs1 2207436291 KDWJDIKPJLPQDH-HNNXBMFYSA-N 314.926 5.603 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Br)sn1 2214619764 DJGHKKSHCXNZFV-UHFFFAOYSA-N 316.264 5.005 30 10 DKEE CCCCCCCCCOCCNCc1ccc(Cl)s1 2239490294 PLIHYXDDUCCYND-UHFFFAOYSA-N 317.926 5.258 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 2250161364 MMFMBPRTMHNGOE-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c(C#N)s1 2258994325 MWTHIPRHDDXVDG-UHFFFAOYSA-N 300.880 5.287 30 10 DKEE C[C@@H]1CCCC[C@]1(C#N)Cc1cc(F)c(Cl)cc1Cl 2349797437 PUIIJGRHUSWCPE-MEBBXXQBSA-N 300.204 5.395 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1c(Cl)cc(C)cc1Cl 2352817378 XWBOPPUVIWOJLY-CVEARBPZSA-N 300.273 5.555 30 10 DKEE C=C([C@@H](NCC)c1c(Cl)cc(C)cc1Cl)C(C)(C)C 2353054211 IPWCOVVFJAIGEQ-OAHLLOKOSA-N 300.273 5.555 30 10 DKEE C#CC[C@@H](C)C[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414553 KCCLEBOQMZLLES-WBMJQRKESA-N 312.284 5.392 30 10 DKEE CN1/C(=C/C(=O)c2ccc(C(C)(C)C)cc2)Sc2ccccc21 35482801 BULHYFKVNCDPDY-UYRXBGFRSA-N 323.461 5.250 30 10 DKEE C[C@H](Nc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl 37203227 KOSLUYQFGOJXHV-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCOc1ccc(/C=N/Nc2ccc(C)c(C)c2)cc1Cl 82252408 NCOIOQZVAYNLIP-UDWIEESQSA-N 316.832 5.192 30 10 DKEE O=C(/C=C/c1c[nH]c2ccccc12)c1cc2cc(Cl)ccc2o1 83201520 DUJJMNPINHBOCX-FNORWQNLSA-N 321.763 5.464 30 10 DKEE CC(C)Oc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 83204213 DHFWLYHQLHINIE-IZZDOVSWSA-N 300.785 5.023 30 10 DKEE CC(C)COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 83204721 MBQOKLKYEGBOMP-LFYBBSHMSA-N 314.812 5.271 30 10 DKEE CCCCCCCCCCC(=O)CSc1cccc(F)c1 116702167 ZZNPDVQAHVUENP-UHFFFAOYSA-N 310.478 6.018 30 10 DKEE Cc1cc(C(C)(C)C)ccc1Oc1cc(C#N)cc(Cl)n1 122566995 HUOGDAXHRAELJQ-UHFFFAOYSA-N 300.789 5.005 30 10 DKEE C[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccc2ccccc2c1 134663415 SYNREYZHSWYLAF-UONOGXRCSA-N 306.434 5.185 30 10 DKEE C=CCCCCC[C@H](CSc1ccccc1Cl)NCC 233602448 IYCQLDBAUPFEIJ-OAHLLOKOSA-N 311.922 5.547 30 10 DKEE CC(C)(C#Cc1ccccc1)C#CC(C)(C)C#Cc1ccccc1 248290484 SITCFCMFAOTGLW-UHFFFAOYSA-N 310.440 5.146 30 10 DKEE Cc1cc(C)c(N=Cc2cc(Cl)cc(Cl)c2O)c(C)c1 252461415 MCAUZWPGKJAZAW-UHFFFAOYSA-N 308.208 5.375 30 10 DKEE C=CCC[C@H](NCCC)c1cccc(OCc2ccccc2)c1 303760673 ZQJKMXAXWINDLY-NRFANRHFSA-N 309.453 5.273 30 10 DKEE CC(C)C(C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C(C)C 380261298 SKBLYASKZYYJEG-NSHDSACASA-N 312.240 5.098 30 10 DKEE CCCCCCCCCC[C@H](NCCC)[C@@H](C)CSC 383394267 VCTQJDTZSFRTGV-ROUUACIJSA-N 301.584 5.885 30 10 DKEE N#C[C@H](CC1CCCCCC1)Nc1ccccc1Br 394536415 OTXVEHKIAQUELL-AWEZNQCLSA-N 321.262 5.114 30 10 DKEE CCC1(CC)CSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 690278165 RZBXXGFYXHRXPC-UHFFFAOYSA-N 317.285 5.185 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1ccsc1C(F)(F)F 704319762 WXXJCFHCEZZVHG-NSHDSACASA-N 316.735 5.097 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 709119725 UPEQNLBWDYQFNF-JQWIXIFHSA-N 312.240 5.242 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 715749193 MIUCBPZVUSTPNA-SJKOYZFVSA-N 324.306 5.319 30 10 DKEE C=CC[C@](C)(CC)[C@@H](C[C@H](C)COCc1ccccc1)NCC 1903157035 RTNLVWQZKJPWOE-TYPHKJRUSA-N 317.517 5.200 30 10 DKEE C=CCCCCN[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1935992938 IZWDOOWQQZRKCK-OAHLLOKOSA-N 318.461 5.041 30 10 DKEE C=CCC[C@@H](C)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1936490101 YNLCPALKOQGIOC-CABCVRRESA-N 318.461 5.039 30 10 DKEE C=C1CC(CN[C@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 2029667470 NEIJCMQQRZWNJD-SECBINFHSA-N 304.648 5.264 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2coc(Br)c2)CC1 2039375927 LSJUTKJWGDWBBF-OAHLLOKOSA-N 310.235 5.085 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2045679327 VGPWFXOZJZLBGH-YMTOWFKASA-N 306.664 5.510 30 10 DKEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C2CCCC2)cc1C#N 2070138559 RAXUDISIRXYPBF-FQEVSTJZSA-N 307.441 5.029 30 10 DKEE Cc1cccc(C(=O)C2=CC[C@@H](C(C)C)CC2)c1Br 2125179946 GKVFBXDNOJCXKK-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE CCCN[C@H](CC#C[Si](C)(C)C)c1cc(Cl)sc1C 2130929046 AHWQWIPZIQZUDT-CQSZACIVSA-N 313.970 5.022 30 10 DKEE C=C([C@H](Cc1c(Cl)cccc1Cl)NCCC)C(C)(C)C 2152943389 OFYHOSJIFUSDPY-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C=C([C@H](NCCC)c1cc2c(s1)CCSC2)C(C)(C)C 2152954850 ZGEPFUOGKIOIJU-INIZCTEOSA-N 309.544 5.180 30 10 DKEE O=CC1(Cc2cc(C(F)(F)F)cs2)CCCCCCC1 2161226067 RFJSBVMSEBVBIE-UHFFFAOYSA-N 304.377 5.239 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H](C)Cc1ccsc1 2170254047 MZPNESKYJOHESF-HNNXBMFYSA-N 313.576 5.127 30 10 DKEE CCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@@H]1NCCC 2172979444 DQKKDRCODBCZQP-FUHIMQAGSA-N 301.455 5.118 30 10 DKEE CCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@H]1NCCC 2172979446 DQKKDRCODBCZQP-MBOZVWFJSA-N 301.455 5.118 30 10 DKEE CCCCCCCCCCCCS[C@H]1CCC[C@H](O)C1 2189932767 AYVJZNNGUPRPGO-ROUUACIJSA-N 300.552 5.944 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(F)cc1OC 2207358227 VBAMVFREXZIXQQ-HNNXBMFYSA-N 301.833 5.238 30 10 DKEE C=CC1(C[C@@H](N)c2ccc(Cl)c(C(F)(F)F)c2)CCC1 2236300053 BUCXJJZVKYVIHO-CYBMUJFWSA-N 303.755 5.105 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1c(C)cccc1Br 2259196972 RPLNNGPGEQMDFM-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCOCc1c(F)cccc1Br 2260997126 FXCDFDJDJYLFKK-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE C=C1C[C@@H]1C[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967815 UEGHEKZHVJVYJV-PBHICJAKSA-N 322.290 5.189 30 10 DKEE N#Cc1ccc(SC[C@H]2CCCCC2(F)F)cc1Cl 2267997138 SIJROKNVVLBJQI-LLVKDONJSA-N 301.789 5.129 30 10 DKEE CCCCCCCC[C@H](OCCN)c1ccsc1Cl 2277359000 IWKCUZLLICSRHC-AWEZNQCLSA-N 303.899 5.169 30 10 DKEE CCCCCCCCC[S@](=N)(=O)c1cc(F)cc(F)c1 2281336634 LUJBSZKVGVGKDD-FQEVSTJZSA-N 303.418 5.121 30 10 DKEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 2287412650 FGFYQLMZCOUEAC-YVSFHVDLSA-N 315.592 5.117 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1ccc(Cl)cc1Cl 2289871018 WZTRNTPHDOORLK-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1cc(Cl)ccc1Cl 2293885119 QLSNJCZZDDDULU-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE C=CCOc1ccccc1C=CC(=O)c1cccc2ccccc12 2322711956 FSIBMKQAJZPHJQ-UHFFFAOYSA-N 314.384 5.301 30 10 DKEE COc1ccc(Cl)cc1C=CC(=O)c1ccc(C(C)C)cc1 2322737943 WYKJOMFONQFTAY-UHFFFAOYSA-N 314.812 5.368 30 10 DKEE CCCCCCCC(=O)Cc1cc(F)c(Cl)cc1Cl 2349798624 XMMWHGVEXRYRJT-UHFFFAOYSA-N 305.220 5.605 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1c(Cl)cc(C)cc1Cl 2352817380 XWBOPPUVIWOJLY-HZPDHXFCSA-N 300.273 5.555 30 10 DKEE C=CC[C@@H]1CCCCN(Cc2ccc(Cl)c(Cl)c2C)C1 2364028232 BSBHUGFOBHGPNE-CQSZACIVSA-N 312.284 5.480 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H]1COCCCCCCCCCS 2369118238 GWXCSMXGCWFCKK-SJORKVTESA-N 300.552 5.736 30 10 DKEE N[C@H](CC#CC1CCCCC1)c1cc(F)c(Cl)cc1Cl 2377268063 XVFKPEQQEXADRP-MRXNPFEDSA-N 314.231 5.106 30 10 DKEE Cn1c2ccccc2c2cc(/C=C\C(=O)c3cccs3)ccc21 33246281 XLIOWNQLMHXRCM-LUAWRHEFSA-N 317.413 5.289 30 10 DKEE Cc1ccc(C#N)c(Oc2ccc(Br)cc2Cl)c1 110261587 VSWHXJNZSOHFGU-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCCNc1c(F)c(F)nc(F)c1F 129438312 JUFQEXABJJUXLX-UHFFFAOYSA-N 306.347 5.191 30 10 DKEE CCCCCCCCCCNc1nc2cc(C)ccc2s1 129445415 BIYKFKADIDWYHW-UHFFFAOYSA-N 304.503 6.157 30 10 DKEE CCCCCCCCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 159183228 PICXKEXTQUZMCB-LBPRGKRZSA-N 320.279 6.144 30 10 DKEE N#Cc1c(Br)cccc1Sc1ccccc1Cl 168997640 SARKHVVSHUIZGJ-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2C)C1 222880034 YKIPPVNLOGTTMF-JZXOWHBKSA-N 301.499 5.832 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc2c(s1)CCCC2 229275333 KUYFNFYTLRVIMV-KRWDZBQOSA-N 308.531 6.191 30 10 DKEE Clc1cccc(C=Nc2ccc(Nc3ccccc3)cc2)c1 252460155 CCBYKKLSEFQIIG-UHFFFAOYSA-N 306.796 5.834 30 10 DKEE Cc1ccc(Cl)c(N=C2N[C@@](C)(C(C)C)CS2)c1Cl 398589967 RZFKOSQTMMQJPM-CQSZACIVSA-N 317.285 5.040 30 10 DKEE CC(C)(C)c1ccc(C=NN=Cc2ccc(C(C)(C)C)cc2)cc1 606348053 JYSFSCJVYPJLDZ-UHFFFAOYSA-N 320.480 5.735 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc2cscc2s1 694332123 MMOMXLBKEYDXMY-HNNXBMFYSA-N 309.544 6.364 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@H](C)CC(C)(C)C1 698381787 XDODTNZKMQAZRY-ZRGWGRIASA-N 322.493 5.131 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1ccccc1OCc1ccccc1 715719262 IXHGQLDIZCJINT-LAUBAEHRSA-N 309.453 5.128 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(C(F)(F)F)s1 717937919 NWQJNTOTRWOVMB-LBPRGKRZSA-N 307.425 5.778 30 10 DKEE C=C1CCC(Cn2ccc3cc(Br)ccc32)CC1 724579222 KNJLEBGBETVPBB-UHFFFAOYSA-N 304.231 5.150 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1Cl 1874631677 OTKJURDQCQCOPZ-RMKNXTFCSA-N 314.812 5.252 30 10 DKEE C=CCC(CC=C)Sc1ncc(Br)cc1Cl 1899430400 AZCWUAYEIBCFIO-UHFFFAOYSA-N 318.667 5.110 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(Br)co1 2049661927 IUTPAQSWIDBTSQ-CQSZACIVSA-N 316.283 5.573 30 10 DKEE FC(F)c1c(OC(F)(F)F)cc(Cl)cc1C(F)(F)F 2054945253 COZRUFQFFLJFID-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CCCCCCC[C@H](NCC)c1cc2sc(C)cc2s1 2156532504 ACORLOBQZLXWJN-AWEZNQCLSA-N 309.544 6.282 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2c(Cl)cccc2Cl)CC1 2157120398 MDMBLNIQUIPWMF-QGZVFWFLSA-N 310.268 6.036 30 10 DKEE CCCCCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1F 2204264675 MISWNDSZXRJVOU-CQSZACIVSA-N 320.279 6.144 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)c(Cl)c(Cl)c1 2217669820 VHVPPWHWZJLOBP-CYBMUJFWSA-N 308.680 6.007 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Br)cc1CC 2221732950 DDNRSYIQCIZAGL-INIZCTEOSA-N 313.279 5.405 30 10 DKEE C=CCCCCCCCOc1c(Cl)cc(Cl)cc1C=O 2235527285 UCFCXQWRHGQHOP-UHFFFAOYSA-N 315.240 5.711 30 10 DKEE Cc1sc(CC=CC#CC(C)(C)C)c(C)c1Br 2248454996 ABFDGOBWVNCAPE-UHFFFAOYSA-N 311.288 5.276 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1c(Cl)cccc1Cl 2289884345 XALHIRYWOMIWDJ-INIZCTEOSA-N 310.268 5.228 30 10 DKEE C=C(C)CCOc1c(Cl)cc(CNC(C)(C)C)cc1Cl 2296258839 BAVIZMINVCBKQH-UHFFFAOYSA-N 316.272 5.227 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cccc(Br)c1C 2321131958 VKEVAKNBSSGHPV-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NC)c1ccc(Cl)c(C)c1Cl 2353130563 YKPAAHIVWDILTN-QMTHXVAHSA-N 318.313 5.260 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C(F)(F)F)s1 2362244740 YRDLZSWSCMQKDE-UTUOFQBUSA-N 303.393 5.162 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1c(F)ccc(F)c1Cl 2370482930 PWOPLRYGPOFWLL-HZPDHXFCSA-N 301.808 5.261 30 10 DKEE Cc1c(Cl)cccc1Nc1ccc(C(F)(F)F)cc1C#N 37333847 MVVVPJTUEQQVEG-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE N#C[C@H](C(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1 48855692 XICIDDCFVBOLJT-AWEZNQCLSA-N 311.793 5.045 30 10 DKEE CCCCCCCCNCc1ccc(OCCC)c(Cl)c1 104464334 IFEJWNHRSQXNSD-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCCC[C@@H](Cc1ccccc1Cl)NCCC 109732727 MTYQEXFCJSQZBS-SFHVURJKSA-N 309.925 6.001 30 10 DKEE CCCCCCCCCC[C@H](CC1CCSCC1)NCC 143475037 MDCLTQXOOPIBQL-LJQANCHMSA-N 313.595 6.029 30 10 DKEE C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@](C)(C(=O)O)CCC[C@@]23C)C1 238759894 MXYATHGRPJZBNA-ZJXIFLPPSA-N 302.458 5.206 30 10 DKEE CC(=NN=C(Cc1ccccc1)c1ccccc1)c1ccccc1 263599375 IVIYBBWRZFZEIN-UHFFFAOYSA-N 312.416 5.143 30 10 DKEE Cc1cc(C#N)cc(N[C@@H](C)c2cc(Cl)sc2Cl)c1 308120322 GIBGNEUMZCJKAO-VIFPVBQESA-N 311.237 5.408 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 313517152 LFURDSDCGCZTEG-SNVBAGLBSA-N 312.240 5.242 30 10 DKEE CC(C)(C)[C@@H]1CCSC(=Nc2cccc3ccsc23)N1 386127237 DGAFCEQEPZIYPU-ZDUSSCGKSA-N 304.484 5.030 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2cc[nH]c2c1 387898704 JNIAIJMFZZDTDZ-UHFFFAOYSA-N 300.446 5.038 30 10 DKEE C(/C=C\c1ccccc1)=NN(Cc1ccccc1)c1ccccc1 606346843 OHYTVNQRPCPPCG-IQGAPNPZSA-N 312.416 5.392 30 10 DKEE CC(C)C[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)C1 698359092 MAKCJGQQWZLCMB-LPHOPBHVSA-N 322.493 5.131 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C1CCC(C)(C)CC1 698376697 MDPGCFHNLUUAAH-ZBFHGGJFSA-N 322.493 5.131 30 10 DKEE C=C(Cl)C[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 710652722 DRTGNDZXPQBHDV-LBPRGKRZSA-N 312.162 5.152 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CC(C)C)cc1 710834020 UZZHKDUDSUXTDC-LJQANCHMSA-N 316.445 5.065 30 10 DKEE CC=C(CC)C(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1992015934 IBXLCEXIUCYDJO-UHFFFAOYSA-N 317.429 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C=C(CC)C[C@@H](N)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925609025 FPWJDXCJNUYPJK-MRXNPFEDSA-N 318.461 5.007 30 10 DKEE Cc1sc(C)c(C(=O)C2=CCCCCC2)c1Br 1940496664 YLIFQENRTPHYCG-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cc(Cl)c(Cl)s1 2037456814 QHAHDGHEAVWOJZ-SNVBAGLBSA-N 317.628 5.385 30 10 DKEE N#C[C@@]1(Cc2cc(Br)cs2)CCCCC12CCC2 2053364675 DIKVDIKONRJRNM-HNNXBMFYSA-N 324.287 5.307 30 10 DKEE C=CCCCC[C@H](NCC)c1ccc(C)c(Br)c1C 2123081743 ZOJWMYZNABMZTA-INIZCTEOSA-N 324.306 5.463 30 10 DKEE C=CCCCCCC[S@](=N)(=O)c1ccc(Cl)cc1Cl 2141925664 HEVPWQDDQNBMPN-IBGZPJMESA-N 320.285 5.536 30 10 DKEE CCCCCCCCCNc1c(C)cc(Cl)nc1Cl 2142455483 IQIDPOUORZDSFB-UHFFFAOYSA-N 303.277 5.859 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(SC(F)(F)F)cc1 2164261797 ABKFMOHYOPTBIL-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=CC1(C[C@H](N)c2cc(C(F)(F)F)ccc2Cl)CCC1 2168029773 ZKZXSXMJJAIDSF-ZDUSSCGKSA-N 303.755 5.105 30 10 DKEE CCC[C@@H](N=C1N[C@@H](c2cccs2)CS1)c1cccs1 2175635466 BLNAYVUFJJTLFL-VXGBXAGGSA-N 322.524 5.085 30 10 DKEE CC[C@H]1CC=C(C(=O)COc2ccc(Cl)cc2Cl)CC1 2181646185 WHWFVMAXWWAZKC-NSHDSACASA-N 313.224 5.078 30 10 DKEE CCCCCCCCCCCCN(C)CC(C)(C)SC 2195922459 PIBPEYFKJLDIKZ-UHFFFAOYSA-N 301.584 5.981 30 10 DKEE C=C(F)C[C@H](NCCC)c1cc(Cl)cc(C(F)(F)F)c1 2200837423 JNYZOUBRDKQWTA-ZDUSSCGKSA-N 309.734 5.273 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C 2211852065 ZMYDWTBHSNOOCB-CQSZACIVSA-N 317.429 5.127 30 10 DKEE C=C(C)CCCC[C@]1(N)CC[C@H](C)C[C@@H]1OCc1ccccc1 2244644335 LZIUZNQJXYQHOR-JBACZVJFSA-N 315.501 5.226 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(Br)c(Cl)s1 2244666660 MXPRUZVNGFBWPM-SNVBAGLBSA-N 323.683 5.334 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1 2271790539 FCZVSUNRYKKFNB-INIZCTEOSA-N 300.273 5.781 30 10 DKEE C=CCCCCCCCS[C@H](c1ccsc1)[C@H](N)CC 2287096698 NXPRMFJMZWTAOF-IAGOWNOFSA-N 311.560 5.786 30 10 DKEE CSc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2313466175 PMMVATHNVZDUJA-UHFFFAOYSA-N 323.244 5.611 30 10 DKEE CCCCCOc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O 2324262277 KQEZZVABJMBMCG-UHFFFAOYSA-N 322.404 5.180 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)Cc1ccc(Cl)c(Cl)c1C 2344347571 CLZYYEJCRIXJMX-ZBFHGGJFSA-N 300.273 5.164 30 10 DKEE C=CCC(CC=C)Sc1cccc(SCC)c1C(=O)O 2360201002 LHSMEJRCZJCIDC-UHFFFAOYSA-N 308.468 5.110 30 10 DKEE C=CCN(c1ccc(C)cc1)c1nc(-c2ccc(C)cc2)cs1 44980 IJWJCHRSWJJRGS-UHFFFAOYSA-N 320.461 5.751 30 10 DKEE CCCCCCCC(=O)Nc1ccc(Br)c(C)c1 59076399 KMMADQUFXOASOJ-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE CC(C)(C)[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)CC1 86955317 XCGBDOMNYWCOPR-LSDHHAIUSA-N 304.865 5.619 30 10 DKEE CC(C)(CCC#N)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 93105607 MQJAVBSJPNMWBX-IBGZPJMESA-N 309.457 5.025 30 10 DKEE CC(C)(C)c1ccc(/C=C\C(=O)c2ccc(Cl)s2)cc1 96766591 TUXCRSVXTDSACW-TWGQIWQCSA-N 304.842 5.595 30 10 DKEE CCCCCCCCCOc1ccc(C(=O)CCC)cc1N 104313340 GXXWSRJWFKBAQQ-UHFFFAOYSA-N 305.462 5.381 30 10 DKEE CCCCCCCNCc1ccc(NC(=O)OC(C)(C)C)cc1 227586531 RTSZVSQUHSXRIW-UHFFFAOYSA-N 320.477 5.094 30 10 DKEE CCCCCCCNc1cccc(CNC(=O)OC(C)(C)C)c1 227643918 AUQRSDYYXWKPCZ-UHFFFAOYSA-N 320.477 5.094 30 10 DKEE Cc1cccc(N[C@@H](C)c2cc(Cl)ccc2Cl)c1C#N 235537525 AOMGLMUNVXNOMB-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCNCc1coc(Br)c1 378940746 IHMAXDUGWKTMCZ-UHFFFAOYSA-N 316.283 5.272 30 10 DKEE CCCCCCCCC(=O)CCCCNC(=O)OC(C)(C)C 405694821 RWMYPFVZTACYDW-UHFFFAOYSA-N 313.482 5.001 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1N[C@H]1CCCC[C@@H]1C#N 691170085 DQVPKAHSZLGVGC-NQIIRXRSSA-N 320.436 5.068 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1cc(C(F)(F)F)ccc1Cl 695856794 APPDXOGFZBUTBQ-SECBINFHSA-N 304.743 5.099 30 10 DKEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccccc1C 698419781 QVQUHCOBCDYGTD-LJQANCHMSA-N 316.445 5.209 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)C1CCCC1 698864883 CTPICRQPCSXLMW-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE C=C(Cl)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 710590624 LUTAUGLWPUJSNN-LBPRGKRZSA-N 306.664 5.047 30 10 DKEE CCCCCCCCNC(=O)/C(C)=C/c1cccc(Cl)c1 1868187605 SGHJRKDNNQVTLZ-FYWRMAATSA-N 307.865 5.220 30 10 DKEE CCCCCCCCC[C@](C)(N)c1cccc(Cl)c1Cl 1920489296 DOINXVPKKJTPKC-KRWDZBQOSA-N 316.316 6.308 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](C)CC(C)(C)C 1922114712 AOQUQDHOYXEQNL-FXAWDEMLSA-N 317.517 5.200 30 10 DKEE CCCCCCC[C@H](N)c1c(Cl)sc(Cl)c1Cl 1925567555 WDNCBBLGJHGECP-QMMMGPOBSA-N 314.709 6.069 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(Br)c(C)s1 1978560135 JWEMRAAGCGHLGJ-NSHDSACASA-N 322.699 5.002 30 10 DKEE C=CCCCC[C@](C)(N)c1ccc(Br)cc1Cl 2009488684 BZULEKLEKJKYRT-AWEZNQCLSA-N 316.670 5.023 30 10 DKEE Cc1c(Br)cccc1CC1(C#N)CCCCCC1 2027193723 GBLDROBJTGNTTL-UHFFFAOYSA-N 306.247 5.164 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)(CC2(Br)CCC2)C1 2049231821 WNTOXFMJQMMWGO-UHFFFAOYSA-N 312.295 5.440 30 10 DKEE CC(C)=C(C)C(=O)c1cc(C(F)(F)F)ccc1Br 2072424717 MNLIHGGIYBVQQK-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C[C@H]1C[C@](C#N)(Nc2cccc(Cl)c2)c2ccsc2S1 2152751214 XCOBEJRMYIIHKM-ZUZCIYMTSA-N 320.870 5.117 30 10 DKEE CCCCCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NN 2197902654 MQWOCLMPBIUNHG-INIZCTEOSA-N 317.304 5.118 30 10 DKEE CC(C)=C(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243567693 ZDNQTADAIMDONJ-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE Cc1cc(OCCCCCCCS)ccc1Br 2252612410 PFVRJYICGUGKSN-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE N#Cc1sccc1CSc1ccc(Cl)c(Cl)c1 2252638618 UKWBYTHSVLYIHL-UHFFFAOYSA-N 300.235 5.219 30 10 DKEE CC(C)(C)C#CC=CCc1cccc(Cl)c1C(F)(F)F 2284092084 WOYIXZMVZGFHLM-UHFFFAOYSA-N 300.751 5.507 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1cc2cscc2s1 2293295393 RSFJJBDEROMDMC-CQSZACIVSA-N 309.500 5.116 30 10 DKEE C=CC[C@H]1CCC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 2300179357 RXQGARSKANOYBG-UNMCSNQZSA-N 321.464 5.100 30 10 DKEE C=CCC(C)(C)[C@H](Cc1cccc(Cl)c1Cl)NCC 2344345052 LDRZREDBAWJZBO-AWEZNQCLSA-N 300.273 5.116 30 10 DKEE C=CC[C@@H](C)Sc1ccc(F)c(Cl)c1CNC1CCC1 2360379362 VGEFYQVPGOFPQP-LLVKDONJSA-N 313.869 5.178 30 10 DKEE Clc1ccc(/N=C2/N[C@@H](c3ccccc3)CS2)c(Cl)c1 63001246 CSUSGYVSYBHADG-CQSZACIVSA-N 323.248 5.059 30 10 DKEE CC(C)c1nc(CSc2ccc(Cl)cc2)sc1C#N 82430144 WBMBFQNGHHTYRI-UHFFFAOYSA-N 308.859 5.084 30 10 DKEE CCCCCCCCCNc1ccc(C)c(C(F)(F)F)c1 110167518 RAGPZRUQSKJXDW-UHFFFAOYSA-N 301.396 6.176 30 10 DKEE CCCCCCCCCCCC[C@H](CSC(C)C)NCC 115644723 HNPXZOXIYWDSSC-LJQANCHMSA-N 315.611 6.417 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)[C@@]1(C)CCCS1 143501639 YRKGEODATYUISW-RTBURBONSA-N 313.595 6.171 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc2c(s1)CCCC2 158078082 PENMFHBNZKCRMD-KRWDZBQOSA-N 307.547 6.028 30 10 DKEE Cc1ccc(Sc2ccc(Br)cc2C#N)cc1C 229238694 GKDPNPVYFQWYDD-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Br)ccc1F 229267310 RYGAMIAKTPGBHH-HNNXBMFYSA-N 316.258 5.209 30 10 DKEE CC(=NN=C(c1ccccc1)c1ccccc1)c1cccs1 252609554 HULVSJVSDJNHLL-UHFFFAOYSA-N 304.418 5.010 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)C(C)(C)SC 381444768 XEPASHAHWPXPAI-QGZVFWFLSA-N 301.584 6.027 30 10 DKEE Cc1cc(C)cc(CSCCCB2OC(C)(C)C(C)(C)O2)c1 382067644 RIBCIEWBNQNZJD-UHFFFAOYSA-N 320.307 5.019 30 10 DKEE C=CC(C)(C)CNc1ccc(C(F)(F)F)cc1Br 384828696 DUIYWEANVNJIKI-UHFFFAOYSA-N 322.168 5.092 30 10 DKEE CCCCCCC[C@H](NCC)c1c(F)ccc(F)c1Cl 705461119 IRUXRTWFPWLKRZ-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE C=CCSc1ccc([C@H](C)NCCC)c(C(F)(F)F)c1 705550490 AWVQTPKUQKEPHS-NSHDSACASA-N 303.393 5.044 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cc2cccc(Br)c2o1 715829352 KUUQQSZDKJMIOR-IAQYHMDHSA-N 322.246 5.058 30 10 DKEE CC(C)c1ccc(/C(=N/OCc2cccc(C#N)c2)C2CC2)cc1 821229060 FUPDWXPFKBNUNR-LNVKXUELSA-N 318.420 5.013 30 10 DKEE CCC(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 829348673 VKBCPXKTCGCCDT-MRXNPFEDSA-N 316.445 5.065 30 10 DKEE CCCCCCC[C@H](C)N(CCCC(=O)O)Cc1ccccc1 1915178192 CDWFOVOMBDTNJD-SFHVURJKSA-N 319.489 5.102 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C(C)C)C(C)C 1922116788 TZFZMXAWEPVPFK-NRFANRHFSA-N 317.517 5.056 30 10 DKEE CCCCCCC[C@H](C)N[C@@H]1CC[C@H]1OCc1ccccc1 1934899013 AEBNILVNRXAIEW-DFQSSKMNSA-N 303.490 5.073 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1ccc(C#N)c(F)c1)C(C)(C)C 1946839953 SQTPMKKLZGLJDI-INIZCTEOSA-N 324.443 5.134 30 10 DKEE C=CCCCCCCCCC(=O)CCCNCc1ccccc1 1995328908 WGIRXZGDOHVOSF-UHFFFAOYSA-N 315.501 5.432 30 10 DKEE Cc1cc(Br)cc(Oc2cccc(Cl)c2C#N)c1 2049634232 FLECFAWDKXZHMP-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE O=C(C=Cc1ccccc1)c1ccccc1OCc1ccccc1 2053487686 MEOINBGIBHDCGD-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE C=C1CCC(C[C@](N)(CC)c2ccc(Br)cc2)CC1 2098442392 JMPZIUIFTZYYAN-QGZVFWFLSA-N 322.290 5.150 30 10 DKEE C=C(F)C[C@@H](NCC)c1ccc2cc(Br)ccc2c1 2126085728 IRFZBDRIRFNGBG-MRXNPFEDSA-N 322.221 5.126 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1OC 2138621472 VJZRIFCRHDPHHR-CYBMUJFWSA-N 302.245 5.009 30 10 DKEE C=CCCC[C@@H](COc1ccc(Cl)cc1Cl)NCCC 2152445844 MJMKQADOQNOLGU-AWEZNQCLSA-N 316.272 5.097 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2cscc2C(F)(F)F)C1 2157199201 ATKGFRYJESIYID-RISCZKNCSA-N 304.377 5.095 30 10 DKEE C=C1CC(CC(=O)c2ccc(-c3cccc(Cl)c3)s2)C1 2182149954 RCMBZJANLKYLKT-UHFFFAOYSA-N 302.826 5.608 30 10 DKEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1ccccc1Cl 2184458840 WEWFBYODCXIBMF-SECBINFHSA-N 309.171 5.177 30 10 DKEE C#CCCCC[C@@H](NCC)c1ccc(-c2cccs2)s1 2205877068 OTNFROAFYRWZMT-CQSZACIVSA-N 303.496 5.321 30 10 DKEE CC(C)(C)CNCCC#Cc1cc(Cl)c(Cl)c(Cl)c1 2224321959 NNUNSUXIIABHPA-UHFFFAOYSA-N 318.675 5.024 30 10 DKEE C=CCCCC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2235758439 ZRLDENFXQZIYGD-HNNXBMFYSA-N 314.300 5.651 30 10 DKEE N#Cc1cccc(F)c1N(Cc1ccccc1)C1CCCCC1 2243027228 GJYRSLVZZQXTRJ-UHFFFAOYSA-N 308.400 5.037 30 10 DKEE C=CCCCCCCCS[C@@H](CN)c1ccc(Cl)s1 2271512707 AWRVRGMHUHKEAZ-AWEZNQCLSA-N 317.951 5.661 30 10 DKEE CCCN[C@H](C#CC1CCCCC1)c1ccc(SC)s1 2289695642 JKXLBKJMRYCNQD-OAHLLOKOSA-N 307.528 5.094 30 10 DKEE CCc1ccc(C(=O)C=Cc2ccc(-c3ccc(C)cc3)o2)cc1 2297616419 YNHAXDVYXRRHBF-UHFFFAOYSA-N 316.400 5.714 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cc(Cl)c(Cl)cc1Cl 2321113353 OAXCAADADSFKOP-KGLIPLIRSA-N 306.664 5.639 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1ccc(C)c(C)c1 2322890068 VSBXUEWXAYLZMG-UHFFFAOYSA-N 316.400 5.361 30 10 DKEE C=CCC(CC=C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 2335208153 YTPLPPNFEKRUES-SNVBAGLBSA-N 302.220 5.304 30 10 DKEE N#C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCCSC1 2341196418 GKYWUQKGOIGCLI-HNNXBMFYSA-N 314.281 5.353 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(F)c(Cl)cc1Cl 2349797459 PXYZFIKTHZGISR-OAHLLOKOSA-N 302.220 5.785 30 10 DKEE CCCCCCC[C@@H](NC)c1c(F)cc(OC)cc1Cl 2364112554 PAUPQIBFECJHBB-OAHLLOKOSA-N 301.833 5.109 30 10 DKEE Cc1c(Cl)ccc(NC[C@H](C#N)c2ccccc2)c1Cl 2365660017 AJGRGJYBJDOHGM-ZDUSSCGKSA-N 305.208 5.021 30 10 DKEE N#Cc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1 584385 RTBVOFGULWQPCZ-UFWORHAWSA-N 309.583 5.269 30 10 DKEE N#Cc1ccc(N[C@@H](Cc2cccs2)c2cccs2)cc1 37212212 SCXWXURZNREVNH-INIZCTEOSA-N 310.447 5.077 30 10 DKEE Cc1ccc(/C=C/C(=O)c2ccc(Cl)c3ccccc23)cc1 96887602 NJHJJXXBPFHARQ-JLHYYAGUSA-N 306.792 5.698 30 10 DKEE Clc1ccc(/C=N\Cc2ccc(-c3cccs3)s2)cc1 100399400 IOBYMUQNZTVNDF-ZDLGFXPLSA-N 317.866 5.749 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(Br)ccc1Cl 125780141 SFHVNEWZOMDVKD-CQSZACIVSA-N 316.670 5.109 30 10 DKEE Cc1cc(N[C@@H](C)c2ccc(Cl)cc2Cl)ccc1C#N 126319304 BAJPURDPQSQCNS-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCNc1nc2ccc(C)cc2s1 129444950 QPYZSOISMNGCNO-UHFFFAOYSA-N 304.503 6.157 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1sc(C)cc1C 164762743 UELOMUKUDBREIK-SFHVURJKSA-N 309.563 6.546 30 10 DKEE CCCCCCCCCCC[C@@H](Cc1csc(C)n1)NC 229589983 PLPVBQZSYHWJNS-KRWDZBQOSA-N 310.551 5.503 30 10 DKEE CC(C)CCCCCCNc1cccc(Br)c1C#N 232542287 FTKRNXFYCXHDPJ-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE N#Cc1ccc(F)cc1CSc1cc(Cl)ccc1Cl 236214645 LEAVJVUGFUDJQP-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1coc(Br)c1 378961541 XMPYTABGSNHLJL-CQSZACIVSA-N 316.283 5.053 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)C1(C)CCC1 686138636 LWGFIUDCIFFNQU-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)c2sccc2Cl)C1 711170456 CFVOAKQHRMDTEW-ZDUSSCGKSA-N 311.878 5.181 30 10 DKEE C=CC[C@H](O)[C@]12C=CC[C@@H]1[C@@H]1CC[C@@H]3CCCC[C@H]3[C@@H]1CC2 1082166371 FTAJQPVAFOWCFP-DTGNRIQCSA-N 300.486 5.112 30 10 DKEE Cc1ccnc(Nc2ccccc2Sc2ccccc2)c1C#N 1859827014 BFOSUWHHBROOIW-UHFFFAOYSA-N 317.417 5.157 30 10 DKEE CCCCC[C@@H](CC)N(C)c1ccc(C#N)c(Br)c1 1879296426 ZLLKPRBRQWHHNE-CQSZACIVSA-N 323.278 5.116 30 10 DKEE C#CC[C@H](C[C@@H](O)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887098279 KZVNLOZSKHWILM-ZWNOBZJWSA-N 317.643 5.120 30 10 DKEE CCCCCCCCC[C@H](NCC)c1nc(Cl)cs1 1887958459 MFTPIUKYRCFTBF-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C=O)CCCC12CCC2 1921615097 AWUXNNPJSURLLE-CXAGYDPISA-N 321.258 5.092 30 10 DKEE CCCCCCCN(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 1981346139 GRTQISXZBFUQCM-UXHICEINSA-N 317.517 5.273 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(Br)c(Cl)s2)CC1 1985231211 ICVULKNERVCTQB-ZETCQYMHSA-N 319.651 5.093 30 10 DKEE C=CCCCCCC[C@@H](NC)C1CC(OCc2ccccc2)C1 1995171887 AZCGUFYOPYPZAX-XVAXZDLZSA-N 315.501 5.096 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cccc(Br)c1 2040530486 RCDXYGOHEULISO-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE N#CC1(CNc2cc(Cl)c(Cl)c(Cl)c2)CCCCC1 2109990570 YSPINJVCYXUJOJ-UHFFFAOYSA-N 317.647 5.533 30 10 DKEE C=CCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2116485626 FQFYGBNTWCCEJO-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE C=CCCCC[C@H](Cc1ccccc1Br)NCCC 2123080678 OZQUVDUXJZHCRG-MRXNPFEDSA-N 324.306 5.106 30 10 DKEE C=CCC[C@@H](C)[C@H](CSc1ccc(Cl)cc1)NCCC 2158319240 BAJDPCAETGXTRF-PBHICJAKSA-N 311.922 5.403 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(-c3cccs3)cs2)CC1 2181665636 BTCQMNGFBWYOLT-GFCCVEGCSA-N 302.464 5.796 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2206806677 MNUPWAMRIZQJRE-AWEZNQCLSA-N 307.787 5.719 30 10 DKEE C=CCCCCCCNc1ccc(C(F)(F)F)cc1Cl 2206900904 XQRZEFSPMYHZLD-UHFFFAOYSA-N 305.771 5.907 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@H]1OCc1ccccc1 2212664489 OZVQDWYKBRGKTF-CEWLAPEOSA-N 317.517 5.463 30 10 DKEE CCCCCCCCCCCCOc1nc(Cl)ns1 2231090840 ZWGPFQKGUUFMHG-UHFFFAOYSA-N 304.887 5.491 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1ccc(Cl)c(Cl)c1 2235519630 RUCSHUIGDDZREN-HNNXBMFYSA-N 314.300 5.780 30 10 DKEE C=CCCC[C@@H](NCC)c1sc(Cl)cc1Br 2244972182 QCEJRJJMZXTQMW-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1ccsc1Cl 2277359001 IWKCUZLLICSRHC-CQSZACIVSA-N 303.899 5.169 30 10 DKEE CSC(SC)=C1CCC(=Cc2ccc(Cl)cc2)C1=O 2296885892 LIJWOQDHJSKXNM-UHFFFAOYSA-N 310.871 5.024 30 10 DKEE CCCCCC=CCC=CCC=CC[C@H]1O[C@H]1CCCC(=O)O 2333257248 VBQNSZQZRAGRIX-MOPGFXCFSA-N 320.473 5.428 30 10 DKEE C=CCC(CC=C)SC[C@H](N)c1ccc(Cl)cc1Cl 2335097056 UCUVBMJRUMFLOO-HNNXBMFYSA-N 316.297 5.247 30 10 DKEE C=CCC(CC=C)n1c(S)nc2cc(Cl)c(Cl)cc21 2335097454 XYXPBZGWBSQLEC-UHFFFAOYSA-N 313.253 5.325 30 10 DKEE CCCCCCCC[C@](C)(Sc1cccs1)C(=O)O 2351866583 VLSSBILRLSVNDU-HNNXBMFYSA-N 300.489 5.434 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)c(F)cc1CN[C@H](C)CC 2362430724 CMWKINQGTUHCTD-NEPJUHHUSA-N 315.885 5.424 30 10 DKEE C=CCC(CC=C)[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2364079777 FUAWJNXEBNALNM-KRWDZBQOSA-N 312.284 5.282 30 10 DKEE N#C[C@H](C(=O)CCC1CCCC1)c1ccc(Cl)cc1Cl 37346211 HBYIRGYOLGFLBK-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1Cl)c1ccccc1Cl 44268502 IJASLYVOVXZXMF-LLVKDONJSA-N 324.594 5.137 30 10 DKEE SCCCCCCSc1ccccc1Br 87096760 WRTVLJIIZVXNCA-UHFFFAOYSA-N 305.306 5.031 30 10 DKEE CC(C)(C)C1CCC(C#N)(CCCOCC(F)(F)F)CC1 87971953 GLMOLCYQUJNTHY-UHFFFAOYSA-N 305.384 5.092 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(O[C@H](C)CC)cc1 100048483 RVQSWYSZWMSYSN-WIYYLYMNSA-N 319.533 6.265 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)c(F)c2)cc1C(F)(F)F 110255628 WPCFQCORJZNGPN-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 116310864 UGHYVAUOXMZFLU-MRXNPFEDSA-N 302.380 5.359 30 10 DKEE CCCCCCCC(=O)c1cc(F)cc(Br)c1 118040620 YMFGGGNVSFGUSA-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE C=C(C)CCNc1c(Cl)cc(Br)cc1Cl 168954570 IDFUKDQFSXGCFI-UHFFFAOYSA-N 309.034 5.134 30 10 DKEE C=CCCc1ccc(/C=C/c2ccc(-c3ccccc3)cc2)cc1 205098239 PDFRRJXUFYKEGW-CCEZHUSRSA-N 310.440 6.643 30 10 DKEE C#CCCCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 229640118 JSCFGFRJDNBIOX-SNVBAGLBSA-N 304.648 5.101 30 10 DKEE C=CCC(C)(C)Cn1c(S)nc2cc(Cl)c(Cl)cc21 311684607 JGHAGYLAYIJPHH-UHFFFAOYSA-N 315.269 5.234 30 10 DKEE Fc1c(Cl)ccc(OCC2(CS)CCCCCC2)c1F 396618538 GZWQLDBOHKSEQU-UHFFFAOYSA-N 320.832 5.267 30 10 DKEE CCCCCCCCCCCC[C@@]1(O)CCCSCC1 692470169 YWGVAVKWBNFDNC-GOSISDBHSA-N 300.552 5.946 30 10 DKEE C[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698865138 FASDZFXKJGOIIX-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCC1 712326745 LDENWHNXWFYGJZ-INIZCTEOSA-N 308.466 5.029 30 10 DKEE CC/C(=N\OCc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 821220559 MKCYRRRAUKOZNM-ZBJSNUHESA-N 313.416 5.454 30 10 DKEE CC(C)c1ccc([C@@H](C)Nc2ncc3c(c2C#N)CCCC3)cc1 1859511029 KIYYCUFDIJLTLB-OAHLLOKOSA-N 319.452 5.129 30 10 DKEE CC(C=Cc1ccccc1)=NCCN=C(C)C=Cc1ccccc1 1933274363 NRERNDIGGFXEHB-UHFFFAOYSA-N 316.448 5.335 30 10 DKEE Cc1cc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)ccc1F 1951314739 GEIPNHLREJQSSX-UHFFFAOYSA-N 309.167 5.337 30 10 DKEE C=C(Br)CCNc1cccc(-c2ccccc2)c1 2045035813 VBEKQXNGRSQVJJ-UHFFFAOYSA-N 302.215 5.064 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(C)c(Br)c1 2102112623 UEROKGQKKQPOCG-WMLDXEAASA-N 324.306 5.401 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCCC1(C)C 2117016456 ZAEHDXNDPVDUEN-DYVFJYSZSA-N 320.274 5.663 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)CSc2cccc(Cl)c2)CC1 2181669142 NMQNJZYPDKEQKZ-ZDUSSCGKSA-N 308.874 5.384 30 10 DKEE C#CCCCCCN[C@@H](c1cccs1)c1ccc(Cl)s1 2206335403 WYBGISLXQIMAMM-INIZCTEOSA-N 323.914 5.336 30 10 DKEE CCCCCCCCCOCc1sncc1Br 2216955145 HRRHEKIMBMMOBD-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1ccc(SC)s1 2235540200 URLKADDZVIULTQ-OAHLLOKOSA-N 311.560 6.037 30 10 DKEE CCCCCCCC[C@](C)(N)c1cscc1C(F)(F)F 2240618669 WBTJCUVAVOHQAQ-AWEZNQCLSA-N 307.425 5.691 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(Br)s1 2250156257 JXIJNQFZCMQLCP-LBPRGKRZSA-N 316.308 5.298 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(C)c(Br)c1 2263748645 CXDXZIADRJFQHH-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1csc(Cl)c1OC 2268916290 ZQOGXMJFRXIJRG-WCQYABFASA-N 301.883 5.053 30 10 DKEE C=CCCCCCCCSCc1cc(Cl)nc(OC)c1 2295653205 XGLXPPVJZNLCRI-UHFFFAOYSA-N 313.894 5.503 30 10 DKEE CCc1ccc(C=CC(=O)c2ccc(C3CCCCC3)cc2)cc1 2297556104 AADRFEDBCPBZSA-UHFFFAOYSA-N 318.460 6.193 30 10 DKEE C=CCC[C@@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2341114280 ZOFNHJOBTGOMKF-WBMJQRKESA-N 300.273 5.116 30 10 DKEE Cc1c(C(=O)C#Cc2ccc(Cl)cc2)ccc(Cl)c1Cl 2364436310 QVDCHCAJJNDWKR-UHFFFAOYSA-N 323.606 5.190 30 10 DKEE COc1c(Cl)cc(CC2(C#N)CCC(C)CC2)cc1Cl 2365498702 QIDDLUHHZZQWFQ-UHFFFAOYSA-N 312.240 5.265 30 10 DKEE CCCCCCCCCCCCCCCCCC[N+](C)(C)O 78168990 UYWSXCAKOWTRES-UHFFFAOYSA-N 314.578 6.714 30 10 DKEE Cc1ccc(/C=C/C(=O)c2cc(C)c(OCC(C)C)cc2C)cc1 83193720 LHCOVTATFSBNFK-ZHACJKMWSA-N 322.448 5.543 30 10 DKEE Cc1cc(Cl)cc(C)c1OC[C@H](CS)c1ccccc1 94583465 RZWASUAIGJLFJH-OAHLLOKOSA-N 306.858 5.049 30 10 DKEE CCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 95851519 AMMMRCOMMBKDSH-VQIMIIECSA-N 323.546 5.169 30 10 DKEE CCCCCCCn1c(-c2ccccc2F)nc2ccccc21 101907690 ATWKKIXJZUVVJJ-UHFFFAOYSA-N 310.416 5.813 30 10 DKEE CCCCCCC[C@@H](CNC)c1ccc(Br)cc1 118845893 DIGPJHIHVVDRRR-HNNXBMFYSA-N 312.295 5.113 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1ccncc1Cl 143437706 BDCXKWJGLSXSAU-SFHVURJKSA-N 310.913 5.916 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(Cl)c(Br)c1 160919625 VUYZKTSVWFZBEK-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCCC(=O)c1ccc(OC(F)(F)F)cc1 164747380 IBQWJQQWRNUDDW-UHFFFAOYSA-N 302.336 5.519 30 10 DKEE CCCCCC[C@@H](C)Nc1cccc(Br)c1C#N 168495670 ZAYYBGQNXHZHQB-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE CC(C)(CCC#N)CNc1ccc(Cl)cc1C(F)(F)F 229668975 FNRQYDCIEUQUAO-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE CC(C)CCCCCCNc1cc(Br)ccc1C#N 232541157 XRVBIHHOJGVAGU-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE O=C(C1=CCCCCCC1)c1ccc(Br)cc1F 236133790 MEABGBKDNDCMED-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE SCC1(CSc2cc(Cl)cc(Cl)c2)CCCCC1 302643166 GFIFUHIXEFXYHZ-UHFFFAOYSA-N 321.338 5.966 30 10 DKEE CCCCCCCCCNCC(C)(C)N(C)Cc1ccccc1 714236169 GJAKENABCBRYER-UHFFFAOYSA-N 318.549 5.237 30 10 DKEE C=C1CCC(CNc2cc(Cl)c(Cl)cc2Cl)CC1 724541872 DRLOVUKMXJIPRG-UHFFFAOYSA-N 304.648 5.805 30 10 DKEE Oc1cccc(C=Nc2ccc(N=Nc3ccccc3)cc2)c1O 1084103400 QULQHUWRDHHTNU-UHFFFAOYSA-N 317.348 5.264 30 10 DKEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N(c1ccccc1)c1ccccc1 1890306872 OPRIMDHRWNRCHE-BGYRXZFFSA-N 318.420 5.128 30 10 DKEE C=C(C)CC[C@@H](C)NCc1cccc(SC(F)(F)F)c1 1912902804 MBWMXKUPYNOEJF-GFCCVEGCSA-N 303.393 5.133 30 10 DKEE CC(C)(C#N)CCCN(Cc1ccccc1)Cc1cccs1 1915383911 DVCPGIPNFXBUMM-UHFFFAOYSA-N 312.482 5.080 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)C(C)(C)C 1975570905 MKIWRNSWFSEOQL-LJQANCHMSA-N 316.445 5.065 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccccc1OCc1ccccc1 1985704215 BSCIIQGNZWZFKT-LJQANCHMSA-N 313.416 5.180 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccc(Br)s1 2005585501 GEFBXFGRJLZYHI-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](C)c1cccc(C2CC2)c1 2070156728 IJUFZPUYXWRESQ-MRXNPFEDSA-N 312.416 5.018 30 10 DKEE C=CCCCCCCNc1cccc(OC)c1Br 2085848343 YZGYMUJAVSTXEK-UHFFFAOYSA-N 312.251 5.006 30 10 DKEE CCCCCCC[C@H](O)c1ccc(OC)c(Cl)c1Cl 2138629013 YUUBZLOZKLOWNO-LBPRGKRZSA-N 305.245 5.396 30 10 DKEE C=CCCCCCC[C@@H](NN)c1c(Cl)cccc1Cl 2141917781 YWVAVWANBOTVCH-CQSZACIVSA-N 301.261 5.024 30 10 DKEE C#CCCCC[C@H](NCCC)c1cc2sc(C)cc2s1 2173469924 DIQOSGBHPYMXRW-AWEZNQCLSA-N 305.512 5.506 30 10 DKEE C=C[C@H](N[C@H](Cc1cccs1)c1cccs1)C1CCC1 2197829245 IKCPUMOFBNJMCV-JKSUJKDBSA-N 303.496 5.038 30 10 DKEE C#C[C@@H](N[C@@H](C)c1c(Cl)cccc1Cl)C1CCCCC1 2203799958 DUUDOUAFAPHHHQ-BLLLJJGKSA-N 310.268 5.226 30 10 DKEE CC#CCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2203951070 KEUUSCQPVKESLK-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(-c2cccs2)s1 2205936490 CUSZVICYIGQQTK-QGZVFWFLSA-N 307.528 6.011 30 10 DKEE FC1(F)CCC[C@@H](OCCCCCCCCCS)CC1 2207043497 WYEQVPHCZOSECC-OAHLLOKOSA-N 308.478 5.632 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@H](O)c1ccsc1Cl 2207437304 NRDVDFDAWVOLSA-HUUCEWRRSA-N 315.910 5.069 30 10 DKEE C=CCCCCCCCOc1cccc(F)c1Br 2220090998 YYFRUGCNONKPNC-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1scc(C)c1C 2234221096 XMRABYAGXNXJRF-UHFFFAOYSA-N 313.576 5.313 30 10 DKEE CC(C)(C)C#CC=CCNc1ccccc1OCc1ccccc1 2248508772 HCJMFFZDFJVALI-UHFFFAOYSA-N 319.448 5.283 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@@H]1CCC=C1Br 2263710318 CHAOMQGANBNLHR-GDBMZVCRSA-N 316.327 5.546 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1ccc(Cl)cc1Cl 2289716586 FJCNJHNNGGBIMI-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE CCCCCCCCC[C@H](O)[C@H](NC)c1cc(Cl)cs1 2290197639 NRRWICHXBNXHBU-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE C=CCC[C@@H](C)Oc1c(Cl)cc(CNC(C)C)cc1Cl 2296250405 IVEDGXPJQIHCGP-GFCCVEGCSA-N 316.272 5.225 30 10 DKEE C=CCN(CC=C(C)CCCC(C)C)CC(=C)Br 2316530907 ZALJCYKCLPIRCT-UHFFFAOYSA-N 314.311 5.156 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1scc(Cl)c1Cl 2316750639 VWOVWUYPIQSGGH-ZDUSSCGKSA-N 304.286 5.474 30 10 DKEE Brc1cccc(C#CCCCC2=CCCCC2)c1 2318573836 WUVLJJOGIDADKZ-UHFFFAOYSA-N 303.243 5.471 30 10 DKEE Cc1c(C[C@]2(C#N)CCCC23CCC3)ccc(Cl)c1Cl 2364221429 XJJPGIPRBYDATC-KRWDZBQOSA-N 308.252 5.709 30 10 DKEE CCCC[C@](C#N)(CC)CCCc1cc(Cl)cc(Cl)c1 2366900803 RBNGRMBHVLETEP-QGZVFWFLSA-N 312.284 6.426 30 10 DKEE CCCCCCCC[C@@](C)(O)c1csc(C(C)(C)F)n1 2367727365 PPIVISWEYBEYMD-MRXNPFEDSA-N 301.471 5.306 30 10 DKEE O=C[C@]1(Cc2cc(F)c(Cl)cc2Cl)CCCC12CCC2 2377402816 IBBONTUTMNXSGX-MRXNPFEDSA-N 315.215 5.215 30 10 DKEE COc1ccccc1/C=N/c1ccc(Nc2ccccc2)cc1 100033884 NPERIDQRPKCPNB-RCCKNPSSSA-N 302.377 5.189 30 10 DKEE CCCCCCCOC(=O)c1cc2ccccc2c(Cl)n1 111678676 LIXLSPKMRYVISX-UHFFFAOYSA-N 305.805 5.015 30 10 DKEE CCCCCCCCCc1nc2cc(Br)ccc2[nH]1 115063983 BFDNTEMENXPFQX-UHFFFAOYSA-N 323.278 5.619 30 10 DKEE CCCCCCCCCCCC[C@H](CSC(C)(C)C)NC 115645002 YBGPSNMKJMYVMU-GOSISDBHSA-N 315.611 6.417 30 10 DKEE CCCCCCCC[C@@H](Cc1csc2ccccc12)NN 122105792 OFOXSOGFDURNTQ-INIZCTEOSA-N 304.503 5.026 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)c(OCC)cc1Cl 164422687 AJNWDGFIYQOIGE-OAHLLOKOSA-N 319.272 5.786 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(Cl)cc(C(F)(F)F)c1 169103761 SNJYBEPLAAJALG-IINYFYTJSA-N 316.754 5.243 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1cc(Cl)cc(Cl)c1 312204184 JFBHLQWGSJNWBB-MRXNPFEDSA-N 312.284 5.474 30 10 DKEE CCCCCCCCC(=O)Cc1ccsc1Br 389055487 YAJYOHOIJNETAI-UHFFFAOYSA-N 317.292 5.373 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1csc(Cl)c1 393477606 FZVOSGSYZDQZTI-CQSZACIVSA-N 302.915 5.437 30 10 DKEE C=CCN(C(=O)C1CCC(CCCC)CC1)[C@@H]1CCCC[C@H]1C 1860025937 HYBUTOOKTBZACF-YNIZLOQISA-N 319.533 5.576 30 10 DKEE CCCCCCCCCC[C@H](NC)c1nc(Cl)cs1 1887973916 ZYCRPWAFQBEYQH-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE C[C@](O)(c1cccc(Cl)c1Cl)C1(C#N)CCCCCC1 1921065952 DYIYRFGPYYMONS-HNNXBMFYSA-N 312.240 5.065 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)CC2CCCC2)C1 1946746917 SPVOCRDSFUJVIR-QIJUGHKUSA-N 324.512 5.397 30 10 DKEE C=CCCCCCCN[C@H]1CCCC[C@H]1OCc1ccccc1 1977461067 JWBKZUMRLDXGKK-LEWJYISDSA-N 315.501 5.241 30 10 DKEE CCCCCCCC[C@H](CN)N(Cc1ccccc1)C(C)(C)C 1995333610 BZRMHFNQQCNFHL-HXUWFJFHSA-N 318.549 5.365 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Br)s1 1996468595 VNRCJYJSXOIDCZ-SMDDNHRTSA-N 316.308 5.154 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Br)cc1 2040529199 IOOCGROMIOTGDY-CZUORRHYSA-N 310.279 5.092 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](C)c1cccc(C(C)C)c1 2070156574 GOSZPDDCCJJBRB-KRWDZBQOSA-N 314.432 5.264 30 10 DKEE Clc1cc(Cl)c(NCC#CC2CCCCC2)c(Cl)c1 2093443682 MOVMFUOHYQHUGD-UHFFFAOYSA-N 316.659 5.642 30 10 DKEE C=C([C@@H](Cc1ccc(Cl)c(Cl)c1)NCC)C(C)(C)C 2096622353 UWRGCZRYFURLFW-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE CC[C@@](C#N)(C(C)C)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2127930745 KJUKJNLUZWKTBQ-UONOGXRCSA-N 320.647 5.256 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H](C)CCC(F)(F)F 2177889679 LWWOFKPKUGODIA-CYBMUJFWSA-N 313.473 5.166 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cc(Cl)ccc1Cl 2203785502 PFXWYURHZVWYRD-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE C#C[C@@H](N[C@H](C)c1cc(Cl)ccc1Cl)C1CCCCC1 2203804637 ZLXQDNBPZLXBFK-SJKOYZFVSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)Cc1ccco1 2211147481 ZFABURSFYAKOOK-UHFFFAOYSA-N 311.469 5.808 30 10 DKEE CCCCCCCC[C@H](C)NCc1coc(Br)c1 2223867585 IAHUJDMAANCPPT-ZDUSSCGKSA-N 316.283 5.271 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(N)cc1Br 2227281986 UQFSQNRQCAMSFG-UHFFFAOYSA-N 324.262 5.131 30 10 DKEE C=CCCCCCCC[C@H](NCC)[C@@H]1SCCS[C@H]1C 2235518749 JKNMQPVXJNCIJB-YESZJQIVSA-N 315.592 5.118 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H](SC)C1CC1 2236677908 PISGXHNNEAGIPL-ROUUACIJSA-N 300.552 5.800 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281542128 ZRLPVTZDKLAJPX-OAHLLOKOSA-N 316.272 5.399 30 10 DKEE C=C1CCC(C[C@H](N)c2sc(C(F)(F)F)cc2C)CC1 2294983900 KOTINVGPCBCDSY-LBPRGKRZSA-N 303.393 5.212 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@H](N)c1ccc(Cl)s1 2295688971 LISSUOIHURRXEK-CVEARBPZSA-N 317.926 5.293 30 10 DKEE CCCCCCCCCCOc1ccc(C=C[N+](=O)[O-])cc1 2297707833 PPPOXKGZLFCWTM-UHFFFAOYSA-N 305.418 5.454 30 10 DKEE C=CCCCCCCCC(=O)c1cnsc1Br 2300300736 VAVDFHLPBVJRPF-UHFFFAOYSA-N 316.264 5.005 30 10 DKEE CCC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 2330259135 NHJLSGXXJFKJII-UHFFFAOYSA-N 323.480 5.932 30 10 DKEE CCCCC[C@H]1CCC(c2ccc(-c3ccccc3)cc2)=CC1=O 3145584 GEADXAGKMPHSFP-NRFANRHFSA-N 318.460 6.296 30 10 DKEE O=C(c1ccccc1)c1ccc(/N=C/c2cccc(Cl)c2)cc1 3183524 HBCVRHRXCQDKNF-HYARGMPZSA-N 319.791 5.322 30 10 DKEE CN(C)c1ccc(/N=C/c2cccc(-c3ccccc3)c2)cc1 6910969 HSTCBVWHDOGCQJ-CJLVFECKSA-N 300.405 5.170 30 10 DKEE Cc1cc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)sc1C 87567417 VZGQTEOWRILKMU-NSHDSACASA-N 324.232 5.162 30 10 DKEE C=CCc1cc(C(C)(C)C)cc(C=O)c1OCCCCCCC 100132521 WNDOKCJTZMVAOL-UHFFFAOYSA-N 316.485 5.874 30 10 DKEE CCCCCCCCC[C@@]1(C#N)C=CC(c2ccccc2)=CC1 100320117 MHSBWUAYVFPSAQ-JOCHJYFZSA-N 307.481 6.681 30 10 DKEE CCCCCCCCCCCCN[C@@H](C)c1nc(C)cs1 112981077 KSGZQPWJEWNUSV-KRWDZBQOSA-N 310.551 6.023 30 10 DKEE CSc1ccc(Nc2ccc(C(F)(F)F)c(C#N)c2)cc1 164383422 KDCQAVGIRZTASG-UHFFFAOYSA-N 308.328 5.043 30 10 DKEE CC(C)c1ccc(C=Nc2ccc(OC(F)(F)F)cc2)cc1 254494106 XCHRFHFLEWCXQB-UHFFFAOYSA-N 307.315 5.459 30 10 DKEE C=CCCCCCCNCc1cccc(OCc2ccccc2)c1 394436049 NSJGNVACHJDCLD-UHFFFAOYSA-N 323.480 5.492 30 10 DKEE CCCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 698877881 WURCWWSPYLYQNV-SFHVURJKSA-N 308.466 5.029 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1Nc1cccc(C#N)c1 709200340 PMEDAHNRDWZAJJ-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CC[C@]1(C)CCSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 709708436 VSMSRUKXENSGCJ-CQSZACIVSA-N 317.285 5.185 30 10 DKEE C/C(=N\OCc1cccc(Cl)c1)c1ccc(C(C)C)cc1 1857936435 MAHIVGLURGJBJJ-XSFVSMFZSA-N 301.817 5.404 30 10 DKEE Cc1cc(C)c(Nc2nccc(-c3ccccc3)c2C#N)c(C)c1 1859838537 CKUCAEMBEQNUGN-UHFFFAOYSA-N 313.404 5.289 30 10 DKEE C=CCN(Cc1ccccc1)Cc1cc(Cl)sc1Cl 1881316312 FCZQJVBBRJJJNL-UHFFFAOYSA-N 312.265 5.243 30 10 DKEE CCC1(OCc2cc(Cl)sc2Cl)CCC(=NO)CC1 1883084697 VONVAYVYTVAGBV-UHFFFAOYSA-N 322.257 5.125 30 10 DKEE CC(C)C[C@@H](CS)CN(Cc1ccccc1)[C@H](C)C(C)C 1893839710 QPUMIXAWDIPHKT-IEBWSBKVSA-N 307.547 5.125 30 10 DKEE C=CCCCCC[C@H](N)c1c(C)sc(C)c1Br 1948478872 PTKMCHRWEALGGX-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1sc(C)cc1Br 2000376915 RDJYVKNDPKDRPC-GXFFZTMASA-N 316.308 5.072 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cc(Cl)sc2Cl)CC1 2061171880 SZNGYQKZEUTWKJ-VIFPVBQESA-N 303.254 5.620 30 10 DKEE C=CCCCCCC[C@H](NC)c1cccc(Br)c1C 2141919720 RSKPCCVCHZNQQY-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](NC)c1cc(Cl)sc1C 2154430911 CNOIZOQAASGKQH-HOTGVXAUSA-N 317.926 5.082 30 10 DKEE CC[C@H](CN(C)CCCCCCCCCS)C(C)(F)F 2171926783 CUJCPTMLBOBLOK-OAHLLOKOSA-N 309.510 5.260 30 10 DKEE CCCCCCCCC[C@H](N)Cc1cc(Cl)cc(Cl)c1 2197902585 LVJGKPOQDQTWBI-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1nc(Cl)cs1 2207402504 CEZNYQDTGZSQGB-CQSZACIVSA-N 314.926 5.754 30 10 DKEE CCCCCCCCCCCOCc1cnc(Cl)s1 2231014237 DCCLDHVJIOGCGE-UHFFFAOYSA-N 303.899 5.844 30 10 DKEE C=C1CCC(C[C@@H](Cc2cccc(Cl)c2Cl)NC)CC1 2235757636 SRCJRPOKBYTZTJ-HNNXBMFYSA-N 312.284 5.260 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(Cl)cc(Cl)c1 2238011849 GMFZQIHGPZKFRZ-AHIWAGSCSA-N 312.284 5.779 30 10 DKEE C=C(C)CCCCC(=O)c1cc(C)c(Br)s1 2244622587 UCRXTKSDLJPJKZ-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc2cscc2s1 2287464919 FEQZAAAZLVAGFI-HNNXBMFYSA-N 307.528 6.140 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(Cl)cc1C(F)(F)F 2287468334 SXROJLPBMXHZNT-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE O=C(C#CC1CCC1)c1ccc(-c2ccc(Cl)cc2)s1 2362764425 DKBNIWBBDCKTHS-UHFFFAOYSA-N 300.810 5.055 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2364006782 KATWOYOUZMMEKC-DOMZBBRYSA-N 314.300 5.425 30 10 DKEE C=CCC[C@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807666 LKJQJQWPDRVJSG-GUYCJALGSA-N 314.300 5.506 30 10 DKEE COc1cc(C)c(Cl)c(C)c1C(=O)/C=C/c1ccc(C)cc1 83193222 MRPGABDTGXLJOT-MDZDMXLPSA-N 314.812 5.170 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1c(C)cc(C)c(Cl)c1C 83194244 YFUGOFXXQVNSPJ-AATRIKPKSA-N 304.842 5.531 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccc(Br)s2)CC1 87940073 BLHRQJZMFOQIMC-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE CCCCCCC[C@H](C)N[C@@H](c1cccs1)C1CCCC1 109892531 MNFKNGGZZDOWLE-QFBILLFUSA-N 307.547 6.318 30 10 DKEE CCCCCCC[C@@H](NCCC)c1c(Cl)cnn1C(C)C 126903718 IAPFGYQYZPPESJ-MRXNPFEDSA-N 313.917 5.519 30 10 DKEE N#Cc1ccc(COc2c(Cl)cccc2Cl)c(Cl)c1 162983806 JWNQNEIJYYQQEE-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCC(=O)Nc1cc(Cl)cc(Cl)c1O 232382205 NNTGYHVHSKLVIA-UHFFFAOYSA-N 318.244 5.388 30 10 DKEE CCCCCCC[C@@H](NC)c1cccc(C)c1Br 232950632 FKVFTIHVVQBLTP-OAHLLOKOSA-N 312.295 5.379 30 10 DKEE Cc1c(Cl)cccc1N=Cc1ccc(Br)s1 252461124 KSMBYCYPEOBNER-UHFFFAOYSA-N 314.635 5.223 30 10 DKEE CCCCCCC[C@H](C)NCc1cc(Cl)sc1Cl 312767054 NJGPHOIULDAUAO-NSHDSACASA-N 308.318 5.894 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 406078224 RVAGHEMWJWFPFD-SECBINFHSA-N 302.723 5.288 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(Br)c(F)c3)C[C@@H](C1)C2 697305491 YIAVBUHJCIILOG-ONXXMXGDSA-N 324.237 5.135 30 10 DKEE CC(C)[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 698359765 QIODEMYOASEFEM-LPHOPBHVSA-N 322.493 5.131 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](C(C)C)CC1 698968038 XQYKKDNKDHXJKS-APWZRJJASA-N 322.493 5.132 30 10 DKEE CCCCCCCC[C@H](NN)c1csc(C(F)(F)F)c1 703192817 FYYRIMATTSMGJC-LBPRGKRZSA-N 308.413 5.022 30 10 DKEE CCCCCCCCC[C@H](O)c1sncc1Br 712096029 JUZYUWPAZSLIFG-LBPRGKRZSA-N 320.296 5.080 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)CCCC1CC1 720111820 XFSGGGAUWDDCIX-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE C=C1CCC(CNc2cc(C)c(Br)cc2F)CC1 724550527 XOTQWBOSLDYFOK-UHFFFAOYSA-N 312.226 5.055 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(CNCCC)c(C)c1 1914938295 BCQXUQKWYQRYGV-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE Cc1cc(C#N)ccc1CN(Cc1ccccc1)C1CCCCC1 1946852369 UNJATAHJLJHQNU-UHFFFAOYSA-N 318.464 5.202 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 2000880901 ZMVYPZIXXZQOIT-QHAWAJNXSA-N 324.512 5.419 30 10 DKEE C[C@@H]1CC=C(C(=O)C2CC3(CC(OCc4ccccc4)C3)C2)CC1 2010606961 WWNQGDIBLCMCNM-UDNPVYIMSA-N 324.464 5.078 30 10 DKEE CC1(C)CCC(C=O)(Cc2cc(Cl)sc2Cl)CC1 2074819196 IWEFIXVAEQQHPA-UHFFFAOYSA-N 305.270 5.383 30 10 DKEE C=CCCCCCCNc1ccc(Br)cc1OC 2085840656 AFAALRWOALYYEW-UHFFFAOYSA-N 312.251 5.006 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 2096545415 MELCORMZIHSOKH-QWRGUYRKSA-N 304.236 5.528 30 10 DKEE C=CCCC[C@@H](Cc1cccc(C)c1Br)NCCC 2116494022 BVZXMWAODFNJHT-INIZCTEOSA-N 324.306 5.025 30 10 DKEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc(Cl)cc1F 2151941051 ULHCCAHYJYZINA-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2cc(C(F)(F)F)cs2)C1 2161224840 DMXZDNRHLKVWBW-FZMZJTMJSA-N 304.377 5.095 30 10 DKEE CCCC[C@](C)(C#N)[C@](C)(O)c1cc(F)c(Cl)cc1Cl 2164470436 SWQJGLDVDVQPEC-HUUCEWRRSA-N 318.219 5.060 30 10 DKEE C=CCCCCCC[C@H](NC)c1csc(C(F)(F)F)c1 2206892251 PTUOHVKPMFBDCA-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE C=CCCCCCCCCC[C@@H](CS[C@H](C)CC)NN 2207434779 DQXZKJTYPQGIPE-SJORKVTESA-N 300.556 5.047 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1sc(C)cc1C 2234256539 SCYCKQFFLMVUGD-UHFFFAOYSA-N 313.576 5.313 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1ccc(Cl)cc1Cl 2235519423 PRVOUAZVOZZEAP-MRXNPFEDSA-N 314.300 5.780 30 10 DKEE CCCCCCCCCCCOCC1(CS)CC(F)C1 2280373533 BYPRGFSLLBXUJG-UHFFFAOYSA-N 304.515 5.582 30 10 DKEE C=CCCCCCCCSc1nc(C[C@@H](N)CC)cs1 2287090233 PFOIDRVGQSOHLI-AWEZNQCLSA-N 312.548 5.042 30 10 DKEE C=CCCCCC[C@H](OCCN)c1cc(Cl)ccc1Cl 2294033379 RNYIOBLLYQVEJP-INIZCTEOSA-N 316.272 5.146 30 10 DKEE O=C(C=CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 2297532359 GKRVHWMNNURUFH-UHFFFAOYSA-N 309.217 5.482 30 10 DKEE CCC[C@H](CS)COCc1ccc(Cl)c(Cl)c1C 2317241366 SUFOZBXTHCROES-NSHDSACASA-N 307.286 5.165 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(F)c(Cl)c(Cl)c1 2352388457 NDFGNDPRQLHNNU-CABCVRRESA-N 304.236 5.385 30 10 DKEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2cc(Cl)c(F)cc21 2362298594 MILXAHSEOFZKEB-ZANVPECISA-N 310.825 5.035 30 10 DKEE O=C1/C(=C\c2cccc(Br)c2)CC[C@H]1C1CCCC1 104376394 FISNCXVKVOKPLG-DNXIFWLFSA-N 319.242 5.002 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(F)c(F)c1 106205743 AGPNROQSQZFKBV-UHFFFAOYSA-N 311.416 5.824 30 10 DKEE CCCCCCCCCCNc1ccccc1SC(F)F 110155596 WNQCIMADHWKZFI-UHFFFAOYSA-N 315.473 6.554 30 10 DKEE CCCCCCCCCCn1c(S)nc2ccc(F)cc21 129434713 SURIQBHSIZERDU-UHFFFAOYSA-N 308.466 5.605 30 10 DKEE CCCCCCCNc1ccc2cc(Br)ccc2c1 130768590 HITKFYJNPKGVLN-UHFFFAOYSA-N 320.274 5.985 30 10 DKEE C=C[C@@H](CC(=O)N1CCCC[C@H]1c1ccc(C)o1)c1ccccc1 135680764 QBYBEFWXDAULFP-HKUYNNGSSA-N 323.436 5.002 30 10 DKEE CCOc1ccc2ccccc2c1/C=N/Nc1ccc(C)c(C)c1 169876734 UHIOXZMWSDNWRJ-HYARGMPZSA-N 318.420 5.301 30 10 DKEE N#Cc1ccc(Oc2ccc3ccccc3c2)c(Br)c1 213354857 QJKACGKWKMQFHV-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE C/C=C\CC/N=C/c1cc(Cl)ccc1NC(=O)OC(C)(C)C 214448318 BCTTWRVOCFROTR-MKXYTQELSA-N 322.836 5.072 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H]1SCCS[C@@H]1CC 228149210 FHDXAZWSEQWREM-GVDBMIGSSA-N 317.608 5.472 30 10 DKEE SCC1(CSCc2ccccc2Cl)CCCCC1 236621152 KQRHUNXTSGTTCW-UHFFFAOYSA-N 300.920 5.454 30 10 DKEE Cc1ccccc1-n1cnc2cc(N=Cc3cccs3)ccc21 254678946 GXVVTJFNICZHDF-UHFFFAOYSA-N 317.417 5.146 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1cccc(Cl)c1Cl 387560506 XPFJOZWGPYYWEN-MRXNPFEDSA-N 316.272 5.015 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C1CCC(C)(C)CC1 698376696 MDPGCFHNLUUAAH-HOCLYGCPSA-N 322.493 5.131 30 10 DKEE C=C1CCC(C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC)CC1 724590556 XHOLBVVGVREYCD-HNNXBMFYSA-N 312.284 5.260 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2c(Cl)cccc2Cl)CC1 724614601 APYAHHYLKHWAGP-MRXNPFEDSA-N 312.284 5.781 30 10 DKEE CCc1c(CC#N)ccc2cc(SC(F)(F)F)sc12 725303869 ZQDLPPZETBCXHQ-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE Cc1cc(C=Nc2ccc(C(C)C)cc2)c(C)n1C1CCCCC1 1084367455 HVBKLJDACBANHK-UHFFFAOYSA-N 322.496 6.484 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccccc2Br)cc1 1614730624 GNUVGNGFWUFZRF-UHFFFAOYSA-N 313.238 5.146 30 10 DKEE CCCCC[C@H](CC)Nc1nccc(-c2ccccc2)c1C#N 1859795900 BUXWFRHTLNCUHI-KRWDZBQOSA-N 307.441 5.391 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccccc1Cl 1865984440 INDYYSWUTQBKQE-UHFFFAOYSA-N 323.908 5.877 30 10 DKEE C=CCCCCc1ccc(Br)cc1Br 1929600892 VGHMLKCIAOFBBK-UHFFFAOYSA-N 318.052 5.110 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCCC(C)(C)C1 1980285586 IERQFOZFLGHYQN-BEFAXECRSA-N 322.493 5.131 30 10 DKEE C=C(C)C[C@H](O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993582382 HSNUHCAHOJJPTO-KRWDZBQOSA-N 319.445 5.157 30 10 DKEE C=CCCCCCC[C@H](N)c1sccc1Br 1995171664 SCMLGHCZGKUAIB-LBPRGKRZSA-N 302.281 5.037 30 10 DKEE CCCCCCCCCCNC(=O)OCc1ccc(OC)cc1 2059918360 XJSLVWNULIWOSC-UHFFFAOYSA-N 321.461 5.062 30 10 DKEE Cc1cc(C)cc([C@H](C)n2nc(C3CCCCC3)cc2C#N)c1 2070112874 UYZXDMFXGDWJOI-INIZCTEOSA-N 307.441 5.029 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(C)cc1Br 2085838225 BBZPZZVPHWGWFC-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(Cl)sc1C 2098229000 YQAMBLODFNTMOS-HNNXBMFYSA-N 301.927 6.111 30 10 DKEE CC[C@](C#N)(Nc1cccc(Br)c1)C1CCCCC1 2102274990 WBUFZCNYHJDGIN-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE Cc1cccc(C[C@]2(C=O)CCCCC2(C)C)c1Br 2117048841 KTDFULFOASPVGT-KRWDZBQOSA-N 323.274 5.086 30 10 DKEE C#Cc1ccc(NCc2c(Cl)ccc(Cl)c2Cl)cc1 2120726453 SDUDALLLQQBXAV-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE CCCCCCCCCC[C@](C)(O)C(F)(F)C(F)(F)F 2155643271 KWRXXYGOADBVOM-LBPRGKRZSA-N 304.343 5.466 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2ccsc2C(F)(F)F)C1 2182165276 MUQFNDVDRDJYGB-CYBMUJFWSA-N 303.393 5.164 30 10 DKEE CCCC#CC[C@H](NCCC)c1ccsc1C(F)(F)F 2203789659 FAPDQSQWIJSDPQ-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](NCC)c1cscc1Cl 2207445010 OCMMZVZDNKSDRY-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCCCOCc1nnc(Cl)s1 2231025553 NAERHYDCIZYQIH-UHFFFAOYSA-N 304.887 5.239 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1c(Cl)cccc1Cl 2231575855 XHZJHASBIDRQET-QWHCGFSZSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cc(Cl)ccc1Cl 2235535074 LVDWDOJKFRZYHI-MRXNPFEDSA-N 315.288 5.415 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(C(F)(F)F)ns1 2235541113 DWGITCMCXLCMSA-LLVKDONJSA-N 307.381 5.112 30 10 DKEE CCCCCCCCC[C@](C)(N)CCCOCc1ccccc1 2246061137 PFFBSYJQHHBVNC-NRFANRHFSA-N 319.533 5.842 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(Cl)cc1C 2266760765 BJYNXUWNYAULAY-ZDUSSCGKSA-N 302.289 6.463 30 10 DKEE C=CCCCCCCCS[C@@H]1CCCCC(F)(F)[C@@H]1N 2287195863 ZXWUTCXCQFSSID-HUUCEWRRSA-N 305.478 5.151 30 10 DKEE CCCCCCC[C@@](C)(OCC(=O)O)c1cscc1Cl 2290841576 NOLJQZVNLPHRDW-OAHLLOKOSA-N 318.866 5.078 30 10 DKEE C=CCC[C@@H](C)[C@H](OCCCN)c1c(Cl)cccc1Cl 2293143066 VREQPCWNFVFHBD-WBMJQRKESA-N 316.272 5.002 30 10 DKEE CSc1ccc(C)cc1C(=O)C=Cc1c[nH]c2ccccc12 2295967938 MYIAPYIECYWNOP-UHFFFAOYSA-N 307.418 5.094 30 10 DKEE C=CCC[C@H](C)Oc1c(Cl)cc(C[C@@H](N)CC)cc1Cl 2296271442 FSUSDRWOBGLOPY-AAEUAGOBSA-N 316.272 5.007 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1sc(Br)c(C)c1C 2304055238 JFTGNYQSOUVHJB-JSGCOSHPSA-N 316.308 5.120 30 10 DKEE N#Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1 2341173539 KTWBSCWSQOOXCL-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CC(C)C[C@@H](CS)CSc1cccc(C(F)(F)F)c1 2353839215 FVLPCSABBORRQK-NSHDSACASA-N 308.434 5.390 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366410818 CXENZSGNKIIVPA-MEDUHNTESA-N 318.263 5.776 30 10 DKEE Cc1cc(-c2sc(C#N)c(N)c2-c2ccccc2)sc1C 87569926 NRQKNEXXAOAHBP-UHFFFAOYSA-N 310.447 5.214 30 10 DKEE CC[C@H](CS)COc1ccc(C(C)(C)CC(C)(C)C)cc1 94582536 HOKJPYIPAYSXLL-HNNXBMFYSA-N 308.531 5.735 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(F)c(F)c(F)c1 109730308 BONMIDWIYLJWBH-MRXNPFEDSA-N 301.396 5.505 30 10 DKEE CCCCCCC[C@H](N)c1cc(C)c(Br)cc1C 112334411 NGHMLVAELTWDEX-INIZCTEOSA-N 312.295 5.426 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1ccc(Cl)cc1 115858394 YLQPQPYQHRPNCC-LJQANCHMSA-N 309.925 6.131 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1C 135669182 APCFQHUIXSVHAU-GDBMZVCRSA-N 302.549 5.323 30 10 DKEE CSc1cccc(Oc2cc(Cl)cc(Cl)c2)c1C#N 136712867 QIKLIKCPLUCOIJ-UHFFFAOYSA-N 310.205 5.379 30 10 DKEE CCCCCC[C@H](C)Nc1cc(Br)cc(C#N)c1 227611011 UODLRGDQHBKBCZ-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE C=CCCCCC[C@@H](NC)c1cccc(Br)c1C 234460659 JVERADDFERXZSR-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)ccc1Cl)C(F)(F)F 311390910 LVOSZHNLJUCOCA-GFCCVEGCSA-N 312.162 5.153 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(Cl)cc1C(F)(F)F 642882792 OUNKRLXOYXZMEO-TWGQIWQCSA-N 310.702 5.255 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cc2sccc2s1 686693302 BEMISYJCRXEXQC-AWEZNQCLSA-N 305.512 5.587 30 10 DKEE CC[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 702414250 USSCDFZQAKBSQY-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(C)c1Br 715774622 PRIQDZQTEQRFRH-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Br)ccc1C 715816840 ZZHYJBJSUCZHCS-BBRMVZONSA-N 310.279 5.010 30 10 DKEE C#CCSc1nc(-c2ccccc2)c(-c2ccccc2)s1 1615946067 BGMWQIVWALRVPW-UHFFFAOYSA-N 307.443 5.202 30 10 DKEE C/C(CCc1ccccc1)=N\OCc1ccc(Cl)cc1F 1860465732 NIGMYZDLZQZSOU-DEDYPNTBSA-N 305.780 5.004 30 10 DKEE C=CCCCCCC(=O)c1c(Cl)ccc(Cl)c1Cl 2045579577 GUWMVPOQFRXWSO-UHFFFAOYSA-N 305.632 5.966 30 10 DKEE C#CC[C@H](CNc1cc(Cl)c(Cl)cc1Cl)C1CC1 2076091081 GUCKPRKKRXSBJN-SNVBAGLBSA-N 302.632 5.108 30 10 DKEE CCCC#CC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2083415481 OHPJHKHLHHUGNU-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C=CCCCCCCCCNc1ccccc1Br 2086278746 LVFRZIKTONUTOO-UHFFFAOYSA-N 310.279 5.778 30 10 DKEE N#Cc1cc(F)c(Oc2ccc(Cl)c(Cl)c2)cc1Cl 2120888225 RMVAUYCOPXPSLD-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H](O)c1sccc1Cl 2148596455 ROKUJCXYYGGKPY-CABCVRRESA-N 317.926 5.293 30 10 DKEE N#C[C@H](c1c(Cl)cccc1Cl)[C@@H]1CCC2(CCCC2)C1 2155221833 DBNFPIRECAGVFI-OLZOCXBDSA-N 308.252 5.961 30 10 DKEE N#C[C@@H](c1c(Cl)cccc1Cl)[C@H]1CCC2(CCCC2)C1 2155221834 DBNFPIRECAGVFI-QWHCGFSZSA-N 308.252 5.961 30 10 DKEE C=C([C@@H](NCCC)[C@H]1CCCC(F)(F)CC1)[Si](C)(C)C 2155808373 XZZNWQLMUJEZDQ-LSDHHAIUSA-N 303.513 5.004 30 10 DKEE C=CC1(C[C@@H](N)c2ccc(C(F)(F)F)c(Cl)c2)CCC1 2168031826 UEJHTPLTNMTBPH-CYBMUJFWSA-N 303.755 5.105 30 10 DKEE CCCCCCCN(C)c1c([N+](=O)[O-])ccc(Cl)c1Cl 2196711620 NKNQKJDVFGCRAB-UHFFFAOYSA-N 319.232 5.308 30 10 DKEE CCCCCC#CC[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 2203781208 IXSBXPZSMDJEOM-MRXNPFEDSA-N 317.231 5.314 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)[C@H](C)C(C)(C)C 2211147065 VOWZILHGFLAYHR-HXUWFJFHSA-N 315.545 6.450 30 10 DKEE CCCCCCCCOc1c([N+](=O)[O-])ccc(F)c1Cl 2235689401 LSALPBJYNYEWCH-UHFFFAOYSA-N 303.761 5.127 30 10 DKEE C=C[C@H](CCCCC)OC[C@@H](N)c1cc(Cl)cc(Cl)c1 2239510365 MIWDPFGQIQFVIN-HZPDHXFCSA-N 316.272 5.145 30 10 DKEE Cc1ccc(C#C[C@@H](N)c2c(Cl)ccc(Cl)c2Cl)cc1 2239667040 VWYWNTGUXQXFRJ-CQSZACIVSA-N 324.638 5.007 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cocc1Br 2258144863 BEVQRUBQYSIJLB-OAHLLOKOSA-N 317.267 5.606 30 10 DKEE C=CCCSC[C@H](NCCC)c1ccc(Cl)cc1Cl 2271589375 FYLKMMZEAAGRAC-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE C=CCCCCCCCS[C@H](c1cccs1)[C@H](N)CC 2287096782 OUKVNLBRYMVHQW-WBVHZDCISA-N 311.560 5.786 30 10 DKEE CC(C)=CCC[C@H](C)OCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2302724293 BGBNEBVNGZSQKJ-INIZCTEOSA-N 322.298 5.106 30 10 DKEE C=CCC(C)(C)C(=O)c1cc(Cl)cc(Br)c1F 2304055007 HNSICDVQRAPZBI-UHFFFAOYSA-N 319.601 5.027 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)c(Cl)c1OC 2344420265 KXWRBFFFPKPCSW-HNNXBMFYSA-N 301.213 5.177 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1Cl 44268599 FVGUUSXOFCCKHT-NSHDSACASA-N 324.594 5.137 30 10 DKEE O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1cccs1 62167782 BVGLVMOUWYXZCW-VAWYXSNFSA-N 320.413 5.223 30 10 DKEE CCCCCCCCCOc1ccc(/C=C/C(=O)O)cc1Cl 107718234 AZSMJYPYHLCYOF-ZRDIBKRKSA-N 324.848 5.567 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(OC(C)C)c(Cl)c1 109886263 SKYOXFAXTJOZHH-HNNXBMFYSA-N 311.897 6.288 30 10 DKEE CCCCCCC[C@H](NCC)c1c(Cl)cccc1Cl 158038422 PNJHOTKZNZRYBJ-HNNXBMFYSA-N 302.289 6.005 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1sc(C)cc1C 164721686 XESYKUUHACQBJA-GOSISDBHSA-N 309.563 6.546 30 10 DKEE CCCCB(CCCC)/N=C(/Cc1ccccc1)c1ccccc1 206500364 VBJWVGTXNLSWIJ-GYHWCHFESA-N 319.301 6.310 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)cc2)C1 222236128 OJCPJZSQNWJVGW-ZENOOKHLSA-N 307.890 5.787 30 10 DKEE C=CCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 233537609 UTIMQUIXKZMNIA-HNNXBMFYSA-N 314.300 5.651 30 10 DKEE C[C@@H](Nc1cccc(CC#N)c1)c1cc(Cl)ccc1Cl 313412314 SFEIQGDPBMFGKM-LLVKDONJSA-N 305.208 5.233 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccccc1OCc1ccccc1 384018783 QTYKGSTWJBFXPT-OAQYLSRUSA-N 323.480 5.663 30 10 DKEE C=CCC[C@H](NCCC)c1cccc(NC(=O)OC(C)(C)C)c1 406856901 QHEXLCXZGAUOQF-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE CCOc1ccccc1/C=C\C(=O)c1ccc(Cl)c(Cl)c1 606208277 FBSDAJJQTISDDZ-NTMALXAHSA-N 321.203 5.288 30 10 DKEE CCCCCCCC[C@@H](O)c1ccsc1Br 698572477 ALSWJGPHSXQNKU-GFCCVEGCSA-N 305.281 5.295 30 10 DKEE CC[C@H](C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698859147 YQGGEYINZNZNDB-RDJZCZTQSA-N 322.493 5.275 30 10 DKEE CC1(C)CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 698912994 YKCMYQIBOXRDGA-LJQANCHMSA-N 320.477 5.029 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccccc2)cc1 698942509 VDZMZFMMKXKQAR-GOSISDBHSA-N 322.408 5.001 30 10 DKEE CCCCCCC[C@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 710784622 JHUXUCOISZHXIA-MRXNPFEDSA-N 310.482 5.132 30 10 DKEE N#CCc1c(C(F)(F)F)ccc2scc(C(F)(F)F)c12 725324875 XEDPPWVKGJJIIT-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE CC(C)c1ccc([C@H](C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 1868179290 QPKWLFFKFZOBFM-HXUWFJFHSA-N 320.436 5.060 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 1887462795 BREOPUFMVHVDIB-ZWNOBZJWSA-N 318.675 5.347 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)CCCCC1CC1 1902165497 LYMGNAPNLPJCPZ-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)C2CCC2)c2ccccc12 1946837565 MEYUAFDNBPISBP-UHFFFAOYSA-N 312.416 5.271 30 10 DKEE CCC1CCC(C=O)(CN(Cc2ccccc2)C(C)(C)C)CC1 1980210778 KFXVCWMHZAXSCW-UHFFFAOYSA-N 315.501 5.073 30 10 DKEE CCCCCCCC[C@H](NN)c1scc(Cl)c1Cl 2035096878 LBGJTLPKBSQQIG-NSHDSACASA-N 309.306 5.310 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cccc(Br)c1C 2046000996 WHTXHABFNXQXTH-INIZCTEOSA-N 308.263 5.410 30 10 DKEE CCCCCC#CCNc1ccc(Br)c(C)c1C 2083406331 STFIFLSVHOPASE-UHFFFAOYSA-N 308.263 5.062 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1Br)C1CCCCCC1 2116849431 BQGBVVMJRXSUNQ-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@@H](N)[C@H](O)c1cc(C)c(Cl)s1 2165433933 CTFJMUJFKGUMGB-HIFRSBDPSA-N 317.926 5.211 30 10 DKEE O=C[C@@]1(Cc2cccc(Cl)c2Cl)CCCCC12CCC2 2173675699 IPETYFCKQVUDLA-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(F)c(F)cc1Cl 2179679236 GJIOVDHZENLNEJ-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE C=C(F)C[C@H](NCCC)c1c(Cl)cccc1C(F)(F)F 2182511566 IBPFETKHEIAQGJ-LBPRGKRZSA-N 309.734 5.273 30 10 DKEE C=CCCCCCCNCCCCC(F)(F)C(F)(F)F 2240427407 RXKJHVJIYKGOEU-UHFFFAOYSA-N 301.343 5.080 30 10 DKEE C=CCCCSc1ccnc2ccc(Br)cc12 2250037806 KZLBSGFJJZMBLS-UHFFFAOYSA-N 308.244 5.056 30 10 DKEE C=CCCCCCCCSCc1ccsc1C(=O)OC 2287071242 IACKJKJHZXGGTD-UHFFFAOYSA-N 312.500 5.295 30 10 DKEE C=CCCCCCCCSCc1cc(C(=O)OC)cs1 2287075140 LJLDTZZOIWHTBR-UHFFFAOYSA-N 312.500 5.295 30 10 DKEE C=CCC[C@@H](C)[C@@H](OCCCN)c1cc(Cl)ccc1Cl 2293141817 LUTNZTMZGQOLOQ-MLGOLLRUSA-N 316.272 5.002 30 10 DKEE C=CCCCCC[C@H](OCCN)c1cc(Cl)cc(Cl)c1 2294033980 WTLYQNQMZIRAFY-INIZCTEOSA-N 316.272 5.146 30 10 DKEE CC[C@H]1CC=C(C(=O)c2csc(C)c2Br)CC1 2303607025 VEMKMLLZDCGLMP-JTQLQIEISA-N 313.260 5.138 30 10 DKEE C=CCC(CC=C)Oc1cc(C)c(Br)c(C)c1C 2316731277 WBMDUQLFMJGNSQ-UHFFFAOYSA-N 309.247 5.274 30 10 DKEE Cc1c(C)c(C(=O)C2=CCCCC2)c(C)c(C)c1Br 2345952669 VDSHVRGEAFCFJK-UHFFFAOYSA-N 321.258 5.366 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)ccc1Cl 2365093944 RINIUZGALABPHR-MLGOLLRUSA-N 310.268 5.084 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 14465906 QMFBIJCURQSFID-WTANOLMUSA-N 306.796 5.038 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1sccc1C)[C@@H]1CC=C[C@@H]21 20688336 JSMRUJMQBUJTLD-GMBSWORKSA-N 323.461 5.448 30 10 DKEE Cc1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1C 50039143 ZSTZLHLCXHMNHV-AWEZNQCLSA-N 318.203 5.100 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2sccc2Br)C1 87972957 RUMKSOAVKUSUND-FZMZJTMJSA-N 312.276 5.163 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCCC[C@H]1C(C)(C)C 109901116 CAEJPYLQPXVTDN-HZPDHXFCSA-N 303.515 5.982 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1c(F)cccc1F 109901188 GJLOWDPNCIEORQ-GFCCVEGCSA-N 305.393 5.416 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(Br)s1 114419661 HUOLDXIKNHKDDM-LBPRGKRZSA-N 318.324 5.522 30 10 DKEE CCCCCCCCCCCc1nc2cc(Cl)ccc2[nH]1 115858741 LJVVKXUGTWGALA-UHFFFAOYSA-N 306.881 6.290 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1ccc(Cl)cc1 115862176 UMOBPYURJGYFPY-IBGZPJMESA-N 310.909 6.164 30 10 DKEE CCCCCCCCCCNc1nc(CC)nc(Cl)c1C 122520403 BPODJWRWPDJXCO-UHFFFAOYSA-N 311.901 5.553 30 10 DKEE CC(C)c1cc(Br)ccc1Oc1ccc(C#N)cc1 136457073 RDEFXROKQHJART-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccc(Cl)s1 162301003 HPQHFKUPJOZMJE-CQSZACIVSA-N 301.927 6.193 30 10 DKEE CCCCCCCCCOc1c(Cl)cccc1C[C@@H](C)N 166207352 PEZCMGAXXAHMTF-OAHLLOKOSA-N 311.897 5.359 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 226679837 DQTYJLYAOJCRSC-JTDSTZFVSA-N 306.796 5.038 30 10 DKEE C[C@@H]1CCC[C@H](SCc2ccc(Br)cc2C#N)C1 311197198 ITUWVIAOYYTWRY-ABAIWWIYSA-N 324.287 5.133 30 10 DKEE CCCC1CCC(C#N)(N(C(=O)OC(C)(C)C)[C@H](C)CC)CC1 698373009 CTEODHWARNHNHD-MDCZIUGASA-N 322.493 5.275 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@]1(C#N)CCC1(C)C 698869875 UZYOAYKFLNTBCB-LJQANCHMSA-N 320.477 5.029 30 10 DKEE N#CC/C=C\c1ccc(Sc2ccccc2)c(Cl)c1Cl 725412357 BNHGVVHRWUNCLB-XQRVVYSFSA-N 320.244 6.071 30 10 DKEE CC#CCCCC[C@H](NCCC)c1ccc(Br)cc1 1879648287 UYMPIPLQRAFLEM-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CCCCCCCCN(C)c1cc(Br)cc(C#N)c1 1887068604 SVDHERNDUPNPNJ-UHFFFAOYSA-N 323.278 5.117 30 10 DKEE CCCCCCCCCN[C@@H]1CC[C@H]1OCc1ccccc1 1934913074 XQSBHVXMXQQKKM-WOJBJXKFSA-N 303.490 5.074 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1N(Cc1ccccc1)CC1CCCCC1 1946754596 UETWVQLHPHMDHB-YADHBBJMSA-N 324.512 5.541 30 10 DKEE CCCCCCC[C@@H](N)c1cc(C)cc(Br)c1F 2028916783 CVCORYAUISLKTC-CQSZACIVSA-N 316.258 5.257 30 10 DKEE CCCCCCC[C@@](C)(O)c1c(Cl)ccc(Cl)c1F 2139493829 STMSWVGVNDCLET-OAHLLOKOSA-N 307.236 5.701 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1ccc(SC(F)(F)F)cc1 2164141072 RGFVHUDIJLGODW-SMDDNHRTSA-N 303.393 5.161 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(-c2cccs2)s1 2205866874 RIFMNMFGORMOQH-AWEZNQCLSA-N 305.512 5.874 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@@H]1OCc1ccccc1 2212664492 OZVQDWYKBRGKTF-TYPHKJRUSA-N 317.517 5.463 30 10 DKEE C=CCCCCCCCC(=O)c1sccc1Br 2214622161 IPABNNGTAHVRCN-UHFFFAOYSA-N 315.276 5.610 30 10 DKEE COc1cc(Sc2cc(Cl)ccc2Cl)ccc1C#N 2225959482 QWBXNADHPHZOLE-UHFFFAOYSA-N 310.205 5.025 30 10 DKEE CCCCCCCCCCCCOC(=O)CC[C@H](C)S 2239492363 JNIJNPHBKCGHSY-INIZCTEOSA-N 302.524 5.549 30 10 DKEE CCCCCCCCCC[C@@](C)(CSCC)OCCN 2294564563 ZZSQJECQCWSNLH-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE C=C(C)CC[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2294997056 OSKRSIUACITVSN-LBPRGKRZSA-N 305.409 5.472 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1nc(C(C)(F)F)cs1 2296057656 ODZCNGHJNCXKHG-GFCCVEGCSA-N 302.434 5.042 30 10 DKEE C=C(CC)COc1c(Cl)cc(CNC(C)(C)C)cc1Cl 2296260857 ZVQWYHJZTVSMSG-UHFFFAOYSA-N 316.272 5.227 30 10 DKEE O=C1C(=Cc2ccc3c4c(cccc24)CC3)Sc2ccccc21 2297452626 LOEHTEPWWIVWNM-UHFFFAOYSA-N 314.409 5.268 30 10 DKEE CC(C)C[C@H](CS)CSCC1(C(F)(F)F)CCC1 2328530550 SPWGMUAWRKKHDX-LLVKDONJSA-N 300.455 5.044 30 10 DKEE C=CC[C@@H](C)SC[C@H](NC)c1c(Cl)ccc(F)c1Cl 2335103956 SWKFBCUAJNKOSG-SKDRFNHKSA-N 322.276 5.091 30 10 DKEE C=CCC(CC=C)Sc1ccc(C)c(Cl)c1CNCC 2360709324 APAGGJJPZDMNBP-UHFFFAOYSA-N 309.906 5.371 30 10 DKEE CSc1ccc(COCC2(CS)CCCCCC2)cc1 2366018078 BGSOVYQJWIQMGN-UHFFFAOYSA-N 310.528 5.196 30 10 DKEE C=CCCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2366790874 FEZOLYIKNKBQOK-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2c(Cl)cccc2Cl)cc1C 61681852 AUWUFVRWCRBWCO-ZDUSSCGKSA-N 318.203 5.100 30 10 DKEE CC(C)c1nc(Cc2cccc3ccccc23)sc1CC#N 82429489 QZPIYBQQJUXOKR-UHFFFAOYSA-N 306.434 5.077 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)cc1C 83193704 RUSPIQDYRQNMQJ-ZHACJKMWSA-N 308.421 5.297 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Nc2ccccc2Br)CC1 86914244 XTAXBUCSFNVRQY-CJNGLKHVSA-N 321.262 5.114 30 10 DKEE CC(/N=N/c1ccccc1C)=N\Nc1nc2ccccc2s1 103617497 SYPJWKPTFBNSGQ-WMNPJARVSA-N 309.398 5.134 30 10 DKEE CCCCCCCO[C@H](CNC(C)C)c1ccc(Cl)cc1 110067953 LHOKEZCZBCRFLY-GOSISDBHSA-N 311.897 5.366 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(C(C)C)cc1 110315820 LVXWYKYFVCXHPF-UHFFFAOYSA-N 303.490 5.681 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1CCCc2sccc21 143423273 YZQHVQGRARJEMM-AEFFLSMTSA-N 307.547 6.026 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(Cl)c(Cl)c1 159175428 MSEMEQFOJLIOJE-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE N#Cc1cc(Sc2cccc(Cl)c2)ccc1C(F)(F)F 164517945 YYJNYVLADSRDRV-UHFFFAOYSA-N 313.731 5.382 30 10 DKEE CCCCCCCC[C@@H](O)c1cccc(OC(F)(F)F)c1 229471455 KCAWPSTVKBTLKQ-OAHLLOKOSA-N 304.352 5.369 30 10 DKEE C=CCCCCCNc1cccc(Cl)c1Br 236052338 QJUGPQVOCLPWPM-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=CCCCCC[C@@H](N)c1cccc(OCc2ccccc2)c1 303946038 NADXSVVCPYSVDW-OAQYLSRUSA-N 309.453 5.402 30 10 DKEE CCCCCCCCCCCC[C@H](O)CC(C)(C)SC 395325097 CKQCUBWBVCBAIV-KRWDZBQOSA-N 302.568 6.190 30 10 DKEE CSc1c(SC(F)(F)F)c(CC#N)cc2ccsc12 725318682 VNAQAANVXWGACF-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE O=C1/C(=C/c2ccc(Cl)cc2)CSc2c(Cl)cccc21 1614719871 QFBNWEGQNDTDMT-DHZHZOJOSA-N 321.228 5.365 30 10 DKEE Fc1cccc(-c2ccccc2OC(F)(F)F)c1C(F)(F)F 1848363523 AKCCKYJYIDSRLN-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CC(C)c1ccnc(Nc2ccc(Cl)c(Cl)c2)c1C#N 1859831554 ZBRXCARFCQXKGA-UHFFFAOYSA-N 306.196 5.127 30 10 DKEE CCCCCCCCCCCC(=O)N1CCn2cccc2[C@H]1C 1866332028 DGLJOIRKPJDZRK-GOSISDBHSA-N 318.505 5.312 30 10 DKEE CCCCCCCCNC(=O)[C@H](c1ccc(F)cc1)C(C)C 1868200359 SBDRTLYGZNSXPP-SFHVURJKSA-N 307.453 5.042 30 10 DKEE C=C(C)Cn1c(-c2[nH]c3ccc(C)cc3c2C)nc2ccccc21 1873515470 QKOIFNZUXMXEDG-UHFFFAOYSA-N 315.420 5.378 30 10 DKEE C=C(C)CCCCC(=O)c1csc(C)c1Br 1902847444 QLZGGPVOWVHHCI-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cccc(C2CCC2)c1 1902954899 NUOJUMOBLOFNFE-UHFFFAOYSA-N 305.465 5.532 30 10 DKEE CCCCCCCC(=O)c1sc(Br)cc1C 1939448778 BIOITVILQGJCHS-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE CCCCCCCCCC(=O)C1CC(OCc2ccccc2)C1 1976724232 YOKFMZYUCINPJS-UHFFFAOYSA-N 316.485 5.692 30 10 DKEE C=CC1(CC(=O)c2cc(Br)c(Cl)s2)CCC1 1980007714 NTCSOOBLZCGPHU-UHFFFAOYSA-N 319.651 5.093 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1sc(Br)cc1C 2000384368 HNDOPJAUUZEQTH-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE CC[C@@](C#N)(Cc1cc(Cl)ccc1Br)C(C)C 2012407612 CFCJXQGXOLJWPS-AWEZNQCLSA-N 314.654 5.221 30 10 DKEE CCCCC#CC[C@@H](NC)c1ccccc1OCc1ccccc1 2024388090 UOTJPWJYLYPYQJ-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccc(C)c(Br)c1 2059112542 UYMQDZVSPYVHAT-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccsc1Cl 2108229793 GTDAMAWHRAMEOM-AWEZNQCLSA-N 302.915 5.437 30 10 DKEE C=CCCCCCC[C@@H](NC)c1c(Cl)cccc1Cl 2141906718 XHVQTRRQQNZIKC-OAHLLOKOSA-N 300.273 5.781 30 10 DKEE C=CCCCCCC[C@]1(N)CCc2c(Br)cccc21 2141913071 DXHHVHUBENSYGI-KRWDZBQOSA-N 322.290 5.076 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)s1 2142440265 QRBWRBDFRSFGSY-CYBMUJFWSA-N 320.329 6.362 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1cccc(Cl)c1Cl 2148590781 VSZZLUPMUMPPBR-GDBMZVCRSA-N 318.288 5.105 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1 2173629903 RCGXFACYUSCHQB-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1ccc(C(F)(F)F)cc1Cl 2179255405 WGASNLHZTBEZEH-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc3sc(C)cc3s2)C1 2182171602 IWMBEVAYZWJTPR-AWEZNQCLSA-N 305.512 5.668 30 10 DKEE CCCCCC#CCNc1cc(C(F)(F)F)ccc1Cl 2203784556 CYZQRZRHGFRQCJ-UHFFFAOYSA-N 303.755 5.354 30 10 DKEE CC(=CB1OC(C)(C)C(C)(C)O1)c1cc(Cl)cc(Cl)c1 2209927695 KZPCTYOHSAVJCU-UHFFFAOYSA-N 313.033 5.028 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2212375412 CEKAEFMZEYAIBJ-YPAWHYETSA-N 311.513 5.671 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc2sc(C)cc2s1 2235542218 PXVHNJLOEMHNTN-AWEZNQCLSA-N 307.528 6.188 30 10 DKEE CSc1cccc(OCc2ccc(Cl)cc2Cl)c1C#N 2239747938 KPVYUMRRIOQJKO-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE C=CC(C)=CC[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C 2296604002 YGBZFOQXPOGACY-CUDHKJQZSA-N 302.458 5.372 30 10 DKEE CCC(=NOCc1ccccc1Cl)c1ccc(F)c(C)c1 2330277597 AFTQCRKEFWUWTC-UHFFFAOYSA-N 305.780 5.118 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2339006547 GVPSTKJEUQDWFB-BZNIZROVSA-N 300.273 5.555 30 10 DKEE CCC(CC)(CS)COCc1ccc(Cl)c(Cl)c1C 2339471316 KFVGHIDXLBTCJD-UHFFFAOYSA-N 321.313 5.555 30 10 DKEE CC(C)(C)C#CC=CCC(=O)c1c(Cl)cc(F)cc1Cl 2366404872 IYWYFSWPZDEIEX-UHFFFAOYSA-N 313.199 5.311 30 10 DKEE O=C(CCCc1cc(Cl)cc(Cl)c1)C1=CCCCCC1 2366833485 HCSGHXYIVHCHDB-UHFFFAOYSA-N 311.252 5.776 30 10 DKEE c1ccc(/N=C2/N=NC(c3ccccc3)(c3ccccc3)O2)cc1 15769158 XPVPUZJQGBRBOC-VZCXRCSSSA-N 313.360 5.058 30 10 DKEE O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccccc1O 33712530 IQBCAXKWFWUTKA-YPKPFQOOSA-N 324.379 5.595 30 10 DKEE Cc1ccc(Sc2ccc(C(F)(F)F)cc2C#N)cc1C 37334163 GCVKTKVDWLBOBP-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CCC1CCC(C#N)(Cc2ccccc2Br)CC1 87933647 VZIVWEDBSFEDAU-UHFFFAOYSA-N 306.247 5.102 30 10 DKEE C#Cc1cc(CCCCCCCCCCCC)c(C#C)s1 100303956 QQLDHQGCHAQSIX-UHFFFAOYSA-N 300.511 6.174 30 10 DKEE N#Cc1cnc2ccccc2c1Oc1ccc(Cl)c(Cl)c1 110262769 GYFNOMVSWHYAIW-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1c(F)cccc1Cl 112887736 FCUXNNDZFUPUIY-CQSZACIVSA-N 300.845 5.523 30 10 DKEE CCCCCCCCC[C@H](NCC)[C@@H]1SCCS[C@@H]1C 228133900 GNQCIUYBFHURAG-IXDOHACOSA-N 317.608 5.342 30 10 DKEE CCCCCCCCC[C@H](NCC)[C@H]1SCCS[C@@H]1C 228133914 GNQCIUYBFHURAG-IKGGRYGDSA-N 317.608 5.342 30 10 DKEE CCCc1ccc(Nc2ccc(Br)cc2C#N)cc1 229167615 FUOYEFGAUMIVBL-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE C[C@@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CC[C@](O)(CC#N)[C@]3(C)CC[C@H]12 253621855 JPDIISCNKYBMAY-RYQGLZBHSA-N 315.501 5.064 30 10 DKEE Cc1ccc(N=C2c3ccccc3-c3nc4ccccc4cc32)cc1 263631776 UWTZXEAARWQSOP-UHFFFAOYSA-N 320.395 5.693 30 10 DKEE C[C@@H](CCS)CCN(Cc1ccccc1)Cc1ccccc1 306447976 VBOJISOTYZDPHN-GOSISDBHSA-N 313.510 5.035 30 10 DKEE CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)CC1 311945517 GZTAYUMBBLWGAZ-TZMCWYRMSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@H](N)c1c(F)ccc(F)c1Br 403308997 RZMNXHQUXZTBPD-LBPRGKRZSA-N 320.221 5.088 30 10 DKEE CC[C@]1(C)CSC(=Nc2cc(Cl)c(Cl)c(Cl)c2)N1 404320140 ZFTISQJQVRFGFT-GFCCVEGCSA-N 323.676 5.139 30 10 DKEE C=CCCSCCN[C@H](CC)c1ccc(Cl)c(Cl)c1 696061136 VVIVUCWWBIVPAK-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE CC(C)CC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698384710 WKQNAQXEDLYJEQ-LJQANCHMSA-N 322.493 5.275 30 10 DKEE C[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC1 698911872 QUWXHICELGDMTE-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE Fc1ccccc1CO/N=C(/c1ccc2c(c1)CCCC2)C1CC1 821229038 FRLBOJDZCGMCEJ-XTQSDGFTSA-N 323.411 5.035 30 10 DKEE C=C(Cl)COc1c(Cl)cc(Cl)c(Cl)c1Cl 1615950635 HNNMVZKAHZJIDF-UHFFFAOYSA-N 306.403 5.432 30 10 DKEE CCCCCCCCCNC(=O)c1ccc(OCCCC)cc1 1860349598 BEYXWRADFMRVAN-UHFFFAOYSA-N 319.489 5.346 30 10 DKEE C=CC[C@H](C)SCc1cc(Cl)c(C)c(Br)c1 1899417100 PFVOVEAFFDRETJ-VIFPVBQESA-N 319.695 5.609 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cc(F)ccc1C1CC1 1902299906 VVFSPFVTSRMGGJ-UHFFFAOYSA-N 309.428 5.281 30 10 DKEE C=C(CC)C[C@@H](NCC)c1c(C)sc(C)c1Br 1948479923 FCSUBHAKQTWLLV-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CC(C)(C)[C@H]1CCc2sc([C@H](C#N)C(F)(F)F)cc2C1 1952641696 DNIMBDJUOBEXBI-QWRGUYRKSA-N 301.377 5.069 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1sc(C)cc1Br 2000450577 RZERFKTZMSLBQZ-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE CC#CCCC[C@H](NCC)c1ccc(OCc2ccccc2)cc1 2018329564 JLNNTQOJGJDVRH-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE C=C([C@@H](NCCC)c1ccccc1Br)C(C)(C)C 2035433968 HGCFPCFKHSQDLO-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE Cc1cc(C)c([C@@H](C)n2nc(C3CCCCC3)cc2C#N)c(C)c1 2070085997 VVUBMDOPJACHQB-QGZVFWFLSA-N 321.468 5.337 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1cc(C)c(C)s1 2159462910 YXSRKEBDOCMRHX-UHFFFAOYSA-N 313.576 5.313 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(F)c(Cl)c1F 2179678098 CODGBDQVHBJCET-CQSZACIVSA-N 301.808 5.405 30 10 DKEE C#CC[C@@H](C)C[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2196859990 XCENTEIXLLWRSG-IUODEOHRSA-N 303.858 5.118 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(F)c(Cl)c(F)c1 2201593822 DAWHRBKILCFPPX-HNNXBMFYSA-N 304.808 5.792 30 10 DKEE CCCC#CC[C@H](Cc1c(Cl)cccc1Cl)NCCC 2203793492 VSMPDDJMVRGRGV-CQSZACIVSA-N 312.284 5.098 30 10 DKEE C[C@@H](CCS)CCSCC1(C)CC(C(F)(F)F)C1 2259120080 HOTJCEYGHISBGN-UNXYVOJBSA-N 300.455 5.044 30 10 DKEE CCCCCCCCC[C@H](C)N[C@@H]1CCC=C1Br 2263710319 CHAOMQGANBNLHR-GOEBONIOSA-N 316.327 5.546 30 10 DKEE C=CCCCCCCCSc1cc(C2CC2)nc(Cl)n1 2287069811 RSPHNWWPPNVTCV-UHFFFAOYSA-N 310.894 5.626 30 10 DKEE CC[C@H]1CC[C@@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2349886955 PDTHFXJTULCSCF-BONVTDFDSA-N 303.204 5.070 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2362229451 KCSKSWVUKKGQMM-JOYOIKCWSA-N 315.200 5.058 30 10 DKEE CN[C@H](C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1C 2364408057 ONGWPEROTQYZAI-MRXNPFEDSA-N 310.268 5.146 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(F)c(Cl)cc1Cl 2377386001 HTWJDHXDYKVSCX-BDJLRTHQSA-N 316.247 5.357 30 10 DKEE Clc1ccc(/N=C/c2cccc3ccccc23)cc1Cl 575458 KROPIOUZZJACQH-RGVLZGJSSA-N 300.188 5.897 30 10 DKEE N#Cc1ccc(Cl)cc1NC1CC(c2ccc(Cl)cc2)C1 36954541 FJXJLMPJXVHGDG-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE N#Cc1ccc(-c2csc(-c3cccc(Cl)c3F)n2)cc1 62938235 HPONALJAUAXJFL-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccccc2Br)C1 87972444 WLFFNOHOOVFWAO-CJNGLKHVSA-N 306.247 5.102 30 10 DKEE C[C@H](CCS)CCOc1ccc(Cc2ccccc2)cc1 94584961 JLHGYDHESMDHPR-INIZCTEOSA-N 300.467 5.002 30 10 DKEE CCC1(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)CCCC1 94902685 WCLWYXVCXPPACO-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE CCCCCCCCNc1ccc(OC[C@H]2CCCO2)cc1 100034113 WFFZYZLXTQFYDW-LJQANCHMSA-N 305.462 5.017 30 10 DKEE CCCCCCCCCCCCc1nc(-c2ccncc2)no1 102486531 DKKOYDIKARRPQW-UHFFFAOYSA-N 315.461 5.595 30 10 DKEE CCCCCCCO[C@@H](c1ccc(Cl)s1)[C@H](N)CC 103992827 XLKINVOMRQCCED-IUODEOHRSA-N 303.899 5.167 30 10 DKEE CCSc1cccc(N[C@H](C)c2cc(C)oc2C)c1C#N 130542804 RQYODEGNIVQCBC-GFCCVEGCSA-N 300.427 5.053 30 10 DKEE CCCCCCCCc1ccsc1I 136737173 FIGUWGHYSXYKCK-UHFFFAOYSA-N 322.255 5.256 30 10 DKEE CCCCCCCCCC[C@H](N)c1snnc1C(C)(C)C 143413210 GVZMTIVDYPRYQE-AWEZNQCLSA-N 311.539 5.366 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccccc2)C1 222240986 HOVMEOIHYLVTKJ-KURKYZTESA-N 301.499 5.664 30 10 DKEE N#Cc1c(Cl)cccc1Nc1ccc(Cl)c2cccnc12 227861870 BVUAXIDVPSZQOU-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Br)ccc1C 233543005 WQPJYXWOCHYJOC-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCC[C@@H](C)OCc1ccc(Br)cc1C#N 311849174 ODZGPCOYFVWIQJ-CYBMUJFWSA-N 324.262 5.196 30 10 DKEE CCCCCCC[C@@H](NC)c1c(C)cccc1Br 386390219 VEEBQHONYSUFHA-OAHLLOKOSA-N 312.295 5.379 30 10 DKEE CCCCCCC[C@@H](C[C@@H](C)COCc1ccccc1)NCC 719133311 BYYUBOSKGPPNCO-CTNGQTDRSA-N 319.533 5.568 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cc3cscc3s2)CC1 724608603 XLYZUJYEGMDDMA-HNNXBMFYSA-N 305.512 5.750 30 10 DKEE C=C(CC)C[C@H](NCC)c1cscc1OCc1ccccc1 1934839564 SMDYOZSWJGFUOK-SFHVURJKSA-N 315.482 5.334 30 10 DKEE COc1ccc(C#N)c(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1 1946843012 UVFRTIHCKJFMEF-MRXNPFEDSA-N 322.452 5.008 30 10 DKEE C=CCCCC[C@@H](NC)c1c(Cl)cccc1Br 2009481307 HDDJDDHNFBGKER-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=CCCCCCCNc1ccc(OCc2ccccc2)cc1C 2026005762 XMMBGSPPVLFWFT-UHFFFAOYSA-N 323.480 6.122 30 10 DKEE C=CCC[C@@H](C)Nc1cccc(C(F)(F)F)c1Br 2057643999 ZWUNHLITBJCCRS-SECBINFHSA-N 322.168 5.235 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](c1ccc(C)cc1)C(C)C 2070165030 KFKFVHLQTPDAOL-JOCHJYFZSA-N 314.432 5.085 30 10 DKEE CCCCCCCC[C@@H]1Nc2cc(Cl)cc(Cl)c2O1 2142459414 VXBNTWJEENLHIH-CQSZACIVSA-N 302.245 5.874 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H](C)C[C@@H](C)C(F)F 2177893372 NXOFGEJBPHKYTR-KGLIPLIRSA-N 309.510 5.114 30 10 DKEE CCCC#C[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2213339036 HSGKNVDOLCSVHR-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OCC1(CS)CCCCC1 2224411356 RKJOLRUPTNXIHV-UHFFFAOYSA-N 319.297 5.561 30 10 DKEE CCN[C@H](C#Cc1ccc(C)cc1)c1scc(Cl)c1Cl 2239730192 URKAGTBWWDFFNO-CQSZACIVSA-N 324.276 5.066 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2270994092 UTLVJYHNNCUMBH-MRXNPFEDSA-N 300.273 5.699 30 10 DKEE C[C@@H]1CC(=O)C=C(c2cc(Br)cc(C(C)(C)C)c2)C1 2272983670 GNCBEUHNCUQSDJ-NSHDSACASA-N 321.258 5.129 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(C)c(Cl)cc1Cl 2277444771 IQTBEUOKULKGMF-CYBMUJFWSA-N 302.289 6.463 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2299506993 DALDBPPQYLRACM-AVRDEDQJSA-N 323.480 5.519 30 10 DKEE C=CCC(CC=C)C(=O)c1sc(C)c(C)c1Br 2301057717 LWEPDAYZQABJRC-UHFFFAOYSA-N 313.260 5.079 30 10 DKEE C=CCC(CC=C)S[C@@H](c1ccc(Cl)s1)[C@@H](C)N 2313528692 GSMJZFUJPZLIFR-QMTHXVAHSA-N 301.908 5.044 30 10 DKEE C=C(C)CC[C@@H](C)NCCCc1cc(Cl)cc(Cl)c1 2341137873 ZJCBABLMVNDXHN-CYBMUJFWSA-N 300.273 5.260 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345153981 OKMRSDWFEZNEFK-ONGXEEELSA-N 307.837 5.592 30 10 DKEE C=CC[C@H](C)Sc1c([C@@H](C)NCCC)ccc(Cl)c1F 2360376055 DGQJPPMTIIKAKH-NWDGAFQWSA-N 315.885 5.596 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1c(Cl)cccc1Cl 2364090406 VTQIMBHKWNBIJL-KRWDZBQOSA-N 312.284 5.803 30 10 DKEE C#CC(C)(C)C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414763 LOWKAQFUMHKDCS-OAHLLOKOSA-N 312.284 5.392 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 2370618641 ORPPBQTYCQJFOE-KBPBESRZSA-N 306.755 5.385 30 10 DKEE C#Cc1cccc(N[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 35789763 MZVQDMBUVWALDM-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE CCCc1c(-c2cc(Cl)cc(Cl)c2)sc(C#N)c1N 93074559 XIFWUVHZTPFJRO-UHFFFAOYSA-N 311.237 5.128 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(F)c(F)c(F)c1 112886092 IOMOYFZKSSUKKG-MRXNPFEDSA-N 302.380 5.668 30 10 DKEE CCCCCCCCCC[C@@H](CS[C@H](C)CC)NCC 115645951 WXIVCWCSBGBCDD-MSOLQXFVSA-N 301.584 6.027 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1snnc1CC 143465567 ZHUDSLMGNPWJOM-MRXNPFEDSA-N 311.539 5.282 30 10 DKEE CC[C@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227037740 SKSQOUXTPRONSY-QANKJYHBSA-N 305.487 5.189 30 10 DKEE C=CCCCCCCNCc1cc(Br)c(C)s1 310186911 YSFRJIITUGHYPE-UHFFFAOYSA-N 316.308 5.045 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)C2CC2)C1 384360485 LZWYAIYILLIWPH-NSHGMRRFSA-N 310.485 5.006 30 10 DKEE CCCCCCCCCNC[C@H](C)COCc1ccccc1 390215021 WWOCAHRSECZLGG-IBGZPJMESA-N 305.506 5.180 30 10 DKEE C=CCSc1ccccc1NCc1cccc(SC)c1 686948945 OHNAUKPUQRFUHX-UHFFFAOYSA-N 301.480 5.299 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)CC1CCCCC1 698911406 PFHNEWJMIKBQHP-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE CC[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698912934 XAMQHUHKQOJEKL-BEFAXECRSA-N 320.477 5.029 30 10 DKEE N#Cc1c(Cl)cccc1NCc1cccc(Cl)c1Cl 822114705 BIYNNECFGQDATC-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=CCN(Cc1ccccc1)Cc1cccc(Cl)c1Cl 1883400646 ZEVZQYXOMYGWLT-UHFFFAOYSA-N 306.236 5.182 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccccc1[C@H](CC)NCC 1914960494 DBJHLWPDDGWGPB-NRFANRHFSA-N 322.496 5.330 30 10 DKEE Cc1ccc(C=C2C(=O)c3ccccc3[C@@H]2c2ccccc2)cc1 2053464713 DEDMDBCEBICOKW-QFIPXVFZSA-N 310.396 5.407 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ccccc2Br)CC1 2125218637 UJYFUQFRTPVFCH-CYBMUJFWSA-N 321.258 5.404 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2136611185 DNGUNWODCPGZRP-MEBBXXQBSA-N 320.691 5.900 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cccc(Br)c1 2141910343 XXOMDKFPWOXVTK-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE C=C([C@@H](NCCC)[C@@H]1CCCC(F)(F)CC1)[Si](C)(C)C 2155808370 XZZNWQLMUJEZDQ-HUUCEWRRSA-N 303.513 5.004 30 10 DKEE C#CCCCC[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2173491543 SYQCRGXYQOTHMN-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(-c2cccs2)cs1 2179683527 VMLAKFJPLNKRPU-HNNXBMFYSA-N 305.512 5.874 30 10 DKEE CC#CCCC[C@@H](NCCC)c1cc(C(F)(F)F)cs1 2194064502 OHAYEPLBEQHVRF-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE CCCCCCC[C@H](C)NCc1cnc(C(F)(F)F)s1 2196687298 OUOZSJUJMPNVEV-NSHDSACASA-N 308.413 5.001 30 10 DKEE C=CCCCCCCCC[S@@](=N)(=O)c1ccccc1Cl 2207378199 RKLAQBISTIRPNI-HXUWFJFHSA-N 313.894 5.662 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1ccc(Cl)cc1Cl 2207430011 PJWDLETVOFJBLK-QGZVFWFLSA-N 315.284 6.334 30 10 DKEE CCCCC#CC[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2234028135 QIXBVRLXQDQSKQ-INIZCTEOSA-N 312.284 5.098 30 10 DKEE FC(F)(F)[C@H]1CCC[C@@H](OCC2(CS)CCCCC2)C1 2239947181 CXDUFQZJBZUNIF-QWHCGFSZSA-N 310.425 5.004 30 10 DKEE C=C1CC(CC(=O)c2cc(Br)cc(C(C)C)c2)C1 2254765000 LECDWJPPYCFGRY-UHFFFAOYSA-N 307.231 5.112 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(C)cc(Br)c1 2271836783 KPYCNMZPVBPPLU-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE Cc1cc(Nc2c(F)cc(C#N)cc2F)c(Cl)cc1Cl 2294764564 WCHKCUYYMJSKKN-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@@H](N)C#Cc1ccccc1Cl 2295230052 TUOYSZACMSDFNA-INIZCTEOSA-N 324.638 5.007 30 10 DKEE CC1(C)OC(=CC=Nc2ccccc2)C=C(c2ccccc2)O1 2297708802 SBPHHBVLLPUILD-UHFFFAOYSA-N 305.377 5.097 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cc(C)c(Br)cc1C 2321115283 DTJZASMCODHMGR-CVEARBPZSA-N 310.279 5.058 30 10 DKEE C=CC[C@@H](C)Sc1c([C@@H](C)NCC)ccc(Cl)c1F 2335246688 YFNWYASWZLKGBS-GHMZBOCLSA-N 301.858 5.206 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(C)c(Br)c1 2337064814 ZASKFKZVUNYDHT-JKIFEVAISA-N 322.290 5.153 30 10 DKEE C=CCC(CC=C)[C@](C)(N)c1cc(Cl)cc(Cl)c1F 2338745696 YWADRSMBNWTZLL-HNNXBMFYSA-N 302.220 5.075 30 10 DKEE C=CCCCCCCCNc1ccc(Cl)c(C)c1Cl 2340141196 SNKPCPNNIVINPE-UHFFFAOYSA-N 300.273 6.240 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(Br)c(C)c1 2344384035 KHLGCKLTLQLHEF-DLBZAZTESA-N 324.306 5.401 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349845665 QXGMOIUCTGRULO-ZUZCIYMTSA-N 302.220 5.139 30 10 DKEE CC(C)(C#N)c1ccnc(Sc2ccc(Cl)c(Cl)c2)c1 2363644879 GDTVKTRIXDBMBI-UHFFFAOYSA-N 323.248 5.341 30 10 DKEE C=CCC(CC=C)[C@H](CSc1ccc(Cl)cc1)NCC 2364086618 MSUJQVVKACOHBT-KRWDZBQOSA-N 309.906 5.179 30 10 DKEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37154006 QMBSJXPXPRBNOB-WOSRLPQWSA-N 316.495 5.497 30 10 DKEE COc1c(Cl)cc(Cl)cc1-c1cc(C#N)c(C2CC2)o1 77084083 CHKNFQJVPIJZNW-UHFFFAOYSA-N 308.164 5.011 30 10 DKEE C[C@H](c1ccccc1F)N(C)CCCCCCCCCS 97799265 XRQBUSPKLSHGGR-MRXNPFEDSA-N 311.510 5.479 30 10 DKEE CCCCCCCCOc1ccc(CNCC(C)(C)C)cc1 100048071 RJKXWUBZWIICNB-UHFFFAOYSA-N 305.506 5.562 30 10 DKEE CCCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 109738869 GYTQRKBWJMHYPE-OAHLLOKOSA-N 316.316 5.875 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1cc(Cl)ccc1Cl 109945375 QSQUWXSQGWWUAM-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCC[C@H](O)c1sc(C)cc1Br 114542379 LVEBJCGUDWHQLQ-LBPRGKRZSA-N 305.281 5.213 30 10 DKEE CCCCCCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 122274924 AHNLOIQEDYSNOT-UHFFFAOYSA-N 313.272 6.163 30 10 DKEE CCCCCCCCN[C@H](CC(F)(F)F)c1ccccc1 159152371 DOXNOBYQGNYECK-MRXNPFEDSA-N 301.396 5.630 30 10 DKEE CCCCCCCCn1c(N)nc2cc(Cl)c(Cl)cc21 159401901 FAVAUWTVFNAFOP-UHFFFAOYSA-N 314.260 5.286 30 10 DKEE CCCCCCCCCC[C@H](NC)c1c(F)cccc1Cl 162353176 VMLLINUJPSEGGX-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE CCCCCCCn1cc(C[C@@H](C)N)c2ccc(Cl)cc21 164146531 UQFMVKMRKNZGKH-CQSZACIVSA-N 306.881 5.155 30 10 DKEE CCCCCCCCC(=O)c1cccc(OCc2ccccc2)c1 303759466 AQZIIGKKHZLCLN-UHFFFAOYSA-N 324.464 6.199 30 10 DKEE CCCCCCCCCNCCCCOCc1ccccc1 390658192 KARCAUGZCKYVIB-UHFFFAOYSA-N 305.506 5.324 30 10 DKEE N#C[C@@H](CC1CCCCCC1)Nc1ccccc1Br 394536422 OTXVEHKIAQUELL-CQSZACIVSA-N 321.262 5.114 30 10 DKEE CCCCCCCC[C@H]1CC[C@H](CCCCCCCC)CC1 585669760 YGVCZKSBUPBFSV-HZCBDIJESA-N 308.594 8.294 30 10 DKEE Cc1cccc(C#N)c1Oc1cc(Cl)cc(Br)c1 698002665 DYQJWIBOYMVYEE-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCC[C@@H](C)NCc1cccc(Cl)c1Cl 710548214 NHJBNSWZZHGBPN-CYBMUJFWSA-N 302.289 5.832 30 10 DKEE CCCCCCCCCN1CCc2c(Br)cccc21 713307817 BSWPYOYYQQUGIY-UHFFFAOYSA-N 324.306 5.562 30 10 DKEE CCCCCCCCC[C@H](O)c1ncc(Br)s1 714045695 GSTAITBIEARBLH-NSHDSACASA-N 320.296 5.080 30 10 DKEE CCCCCCC[C@@H](NC)c1scc(Br)c1C 1922985954 MKPFPKHGCWELLK-CYBMUJFWSA-N 318.324 5.440 30 10 DKEE C=C([C@H](NCC)c1scc(Cl)c1Cl)[Si](C)(C)C 1923046903 QRRBEESRPFTJQQ-NSHDSACASA-N 308.350 5.139 30 10 DKEE SC[C@H](CC1CC1)CN(Cc1ccccc1)C1CCCCC1 1961122043 AGJMUTMRFKUHMF-LJQANCHMSA-N 317.542 5.167 30 10 DKEE N#CC1(CNc2ccccc2OCc2ccccc2)CCCCC1 2001540232 JRRWWQKPEOWICL-UHFFFAOYSA-N 320.436 5.152 30 10 DKEE CCCCC#CC[C@@H](NC)c1cccc(OCc2ccccc2)c1 2024384664 JBDBQZGNULLSIA-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE CCCCCCCCC[C@H](O)c1sc(Cl)nc1Cl 2067715500 MIQPWUCXUXTLRS-JTQLQIEISA-N 310.290 5.624 30 10 DKEE C=CCCCCOc1ccc2ccc(Br)cc2c1 2086327235 YNXSHGHKVFXJBQ-UHFFFAOYSA-N 305.215 5.337 30 10 DKEE C[C@@H]1C[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)CCS1 2103457520 BYXGTBLFHOIMPI-ABAIWWIYSA-N 314.281 5.351 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCCCC23CC3)c1Br 2116997355 QUJUNURGDOFUPF-QGZVFWFLSA-N 318.258 5.164 30 10 DKEE O=CC1(Cc2ccsc2C(F)(F)F)CCCCCCC1 2157669107 JYIBXMJJRMKBLF-UHFFFAOYSA-N 304.377 5.239 30 10 DKEE C=CCC(C)(C)OC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2238015321 LCYFNSOBLNLCBS-OAHLLOKOSA-N 316.272 5.015 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cccc(Br)c1 2259196801 PEZHPXOVIJMCNQ-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=CCCCCCCCCOc1nc(Cl)nc(Cl)c1F 2280384321 LWWOSRUJVZYSPK-UHFFFAOYSA-N 321.223 5.218 30 10 DKEE C=CCCCCCCCSC[C@H](O)c1ccc(Cl)cc1 2287100099 DXRIKWUFNQPPSX-KRWDZBQOSA-N 312.906 5.633 30 10 DKEE CCCCC#CC[C@@H](NCC)c1ccc(C(F)(F)F)s1 2295260214 GHZIKSJIQPJBJB-GFCCVEGCSA-N 303.393 5.001 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Br)cc1Cl 2304024610 MGSCNGYALYWCBV-KGLIPLIRSA-N 316.670 5.095 30 10 DKEE Cc1ccc2nc(C(C)C)c(N=Nc3cccc(C#N)c3)n2c1 2320768638 IZILBQQIDDASFG-UHFFFAOYSA-N 303.369 5.053 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1c(C)cc(C)cc1C 2322941877 ASHBFIUNDXZYQB-UHFFFAOYSA-N 320.432 5.463 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)c(C(F)F)s1 2345156401 WUGDWQKNPJGIJU-GXTWGEPZSA-N 307.837 5.592 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2sccc2C)c(Cl)c1 83193902 ULZYNQSDKIIYFO-VOTSOKGWSA-N 306.814 5.005 30 10 DKEE CCCCCCCCCCNC(=O)/C=C/c1cccc(Cl)c1 108964013 SKTHGTNUWHRXEZ-BUHFOSPRSA-N 321.892 5.610 30 10 DKEE CCCCCCCCCCNc1ccc(Cl)c(Cl)c1 110157206 GRSGRCAAKTUYHR-UHFFFAOYSA-N 302.289 6.546 30 10 DKEE CCCCCCCC[C@H](NCC)c1ncc(Cl)cc1Cl 123461291 YMPHJQJMVIHDNE-HNNXBMFYSA-N 317.304 5.790 30 10 DKEE CCCCCCCCCCNc1nc(Cl)ncc1Cl 124886185 BBOCDIHYYYGHQS-UHFFFAOYSA-N 304.265 5.336 30 10 DKEE CCCCCCCCCCNc1cccc(Cl)c1[N+](=O)[O-] 125527744 LGLJWWXBWHJSIZ-UHFFFAOYSA-N 312.841 5.801 30 10 DKEE C=C/C=C/C/C=C/C[C@@H]1O[C@H]1CCCCCCCCCCC 140044850 MNOQVNSRLYAHLG-FWNUMGPKSA-N 304.518 6.753 30 10 DKEE CCSc1cccc(N[C@@H](C)Cc2ccc(C)s2)c1C#N 167598708 YLKRQKMXSQCUFK-LBPRGKRZSA-N 316.495 5.083 30 10 DKEE CC[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)CC1 311945516 GZTAYUMBBLWGAZ-OCCSQVGLSA-N 321.262 5.092 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)[C@@H](C)C2CC2)C1 385765921 ALXFOBNHBACMGN-XWDORNJCSA-N 310.485 5.006 30 10 DKEE CC(C)(C)[C@H]1CCSC(=Nc2cccc3ccsc23)N1 386127233 DGAFCEQEPZIYPU-CYBMUJFWSA-N 304.484 5.030 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 398155905 GIDKGYGZYOFRMD-MNOVXSKESA-N 320.691 6.042 30 10 DKEE CC(C)(CCC#N)CNc1cc(Cl)c(Cl)c(Cl)c1 404351128 KVTHVZWRCUIMBA-UHFFFAOYSA-N 305.636 5.389 30 10 DKEE Cc1cc(Oc2cc(Cl)cc(Br)c2)ccc1C#N 700509264 YUTRBCFSRQWLQC-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1 702414252 USSCDFZQAKBSQY-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(CC)cc1 821218492 UHTHPKBHXGIFMH-CZIZESTLSA-N 301.817 5.233 30 10 DKEE CCCCCCCCCCCC(=O)N(CC)c1ccccc1 1866332531 ZUWSJAHLGNYUIY-UHFFFAOYSA-N 303.490 5.960 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Br)sc1CC 1943031116 SBLXCMMAEUYDQH-GFCCVEGCSA-N 319.308 5.467 30 10 DKEE C=CCCCCC(=O)c1cccc(C)c1NC(=O)OC(C)(C)C 1984513155 ZLUWUMZVZRPMRF-UHFFFAOYSA-N 317.429 5.271 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 1986882833 LFDALOCRFAMIRQ-HMXCVIKNSA-N 310.485 5.173 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2045679324 VGPWFXOZJZLBGH-LKFCYVNXSA-N 306.664 5.510 30 10 DKEE CC(C)c1nn([C@@H](C)c2ccc(C3CC3)cc2)c(Cl)c1C#N 2079005048 FWDGVOUUEMYZSY-LBPRGKRZSA-N 313.832 5.018 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(F)cc1Br 2085843225 ZTIGMJDBCZEAQZ-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(SC(F)(F)F)cc1 2154635137 ZJXPIQAVPYYOKN-CQSZACIVSA-N 305.409 5.659 30 10 DKEE C=CCSc1ccccc1N[C@H](C)C[C@H](C)C(F)(F)F 2177937962 XDHSKCCAXOURIM-NWDGAFQWSA-N 303.393 5.354 30 10 DKEE CCCCCC#CC[C@](C)(O)c1cc(Cl)cc(Cl)c1F 2203781207 IXSBXPZSMDJEOM-INIZCTEOSA-N 317.231 5.314 30 10 DKEE CCCCCC#CC[C@H](O)c1ccc(-c2cccs2)s1 2205872686 PXPKPIJJCZCJIK-AWEZNQCLSA-N 304.480 5.484 30 10 DKEE C=CCCCCCCCC(=O)Cc1cc(Cl)ccc1Cl 2235534189 FWPSJXXXZPRWEM-UHFFFAOYSA-N 313.268 6.022 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c(C(=O)O)s1 2239502176 RORKGVROIMVDRJ-UHFFFAOYSA-N 319.854 5.014 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1cc(F)ccc1Cl 2240622200 QMHPMEGEBHPUSD-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE O=C(C=Cc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 2294299896 SINVLKSUEMAJBM-UHFFFAOYSA-N 302.348 5.389 30 10 DKEE C=CCCC[C@H](NCCC)c1csc(C)c1Br 2303641236 ODMPXIFBCMQTAC-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(Cl)c1Br 2304121698 DQYVSCSEEXGQPE-ZIAGYGMSSA-N 317.654 5.128 30 10 DKEE C=CCOc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2 2322328555 RNKIKJNKFYBYRE-UHFFFAOYSA-N 318.416 5.026 30 10 DKEE C=CCCCCC[C@H](O)CCc1cc(Cl)cc(Cl)c1 2340976457 UHXJGMHYGVZWJH-INIZCTEOSA-N 301.257 5.423 30 10 DKEE CC/C(C)=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 5614162 KLRPQPCVVZXSQR-IUXPMGMMSA-N 314.241 5.315 30 10 DKEE N#Cc1c(F)cccc1Nc1ccc(Cl)cc1C(F)(F)F 71670960 HOACUJDTRGUFOI-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(C)c(F)c1 94837476 HFHMNZKKGMGWQC-AWEZNQCLSA-N 301.430 5.585 30 10 DKEE CCCCCCC#C[C@H]1c2ccccc2CCN1c1ccccc1 100292504 HBAUJJIZENJOSK-QHCPKHFHSA-N 317.476 5.764 30 10 DKEE CCCCCCCN[C@H]1CCC[C@H]1CCCCCCC(=O)O 100314092 RZZNGDIYQSCFGK-MSOLQXFVSA-N 311.510 5.140 30 10 DKEE CC/C=C\C/C=C\C[C@@H]1O[C@H]1CCCCCCCCCCC 104899458 HQCGSJRACGWHOF-HUHKYRGVSA-N 306.534 6.977 30 10 DKEE biogenic CCCCCCC[C@@H](N)c1cc(C)c(Br)cc1C 112334413 NGHMLVAELTWDEX-MRXNPFEDSA-N 312.295 5.426 30 10 DKEE CCCCCCCC[C@H](O)c1ccccc1OC(F)(F)F 115833958 YADMNZYQVWIEHV-AWEZNQCLSA-N 304.352 5.369 30 10 DKEE CCCCCCCCCSc1ccc(CNCCC)cc1 124045854 GEPIURBDXOZFPB-UHFFFAOYSA-N 307.547 6.029 30 10 DKEE CCCCCCCCCCNc1cc(Cl)nc(CCC)n1 162209396 KKCXBVQULCRDET-UHFFFAOYSA-N 311.901 5.635 30 10 DKEE CCCCCCCCCCN[C@@H](C)c1ccc(Cl)c(F)c1 213884505 LJNYOPRCIVYIKJ-HNNXBMFYSA-N 313.888 6.270 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)c3cccnc23)cc1Cl 227861671 ZIAMBBCHCQCBSO-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCCCC(=O)c1ccoc1Br 232911817 HQZKSLIQDWPESD-UHFFFAOYSA-N 301.224 5.366 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3cccc(C#N)c3)ccc21 254295740 YUMAFKWHPDORQX-UHFFFAOYSA-N 323.399 5.437 30 10 DKEE CCCCCCCCC[C@@]1(C#N)CCCN1C(=O)OC(C)(C)C 309652722 AQELNRBGIFKOFK-IBGZPJMESA-N 322.493 5.420 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1c(Cl)cccc1Cl 387388687 AJLWXADNQLXNEZ-INIZCTEOSA-N 316.272 5.015 30 10 DKEE CCCCCCCC[C@H](NN)c1ccc(C(F)(F)F)s1 394953117 ZZWNIHFFSYGHJM-NSHDSACASA-N 308.413 5.022 30 10 DKEE CC(C)CCC(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405928152 QRKAFUMYANDXQF-UKTHLTGXSA-N 317.429 5.052 30 10 DKEE N#Cc1cccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 514260821 VTVDDZMUTFNERJ-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](C(C)C)C1 698375889 KHGUGCAQADFZSE-TXPKVOOTSA-N 322.493 5.131 30 10 DKEE C=CC(C)(C)CCN[C@@H](CC)c1ccc(Cl)cc1Cl 701891664 RCZAAWSPMVLKQK-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE C=CCCC(C)(C)CNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 707766977 IUDJEFTWIMARCK-UHFFFAOYSA-N 317.216 5.306 30 10 DKEE CCCCCCCCN(Cc1ccccc1)[C@H](C)C(C)(C)O 1961260272 ITIYBATVSUSOMY-GOSISDBHSA-N 305.506 5.009 30 10 DKEE C=CCCCCCCCCC[C@@H](O)[C@@H](C)OCc1ccccc1 1995325098 GCFLWBGUIILKOS-TZIWHRDSSA-N 318.501 5.650 30 10 DKEE C=CCCCCCCCCCN(CCCO)Cc1ccccc1 1995325391 KBDPUXFFCJCZCB-UHFFFAOYSA-N 317.517 5.178 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C=O)CCCC(C)(C)C1 2112218236 SSUCBMDWKBINNW-GUYCJALGSA-N 323.274 5.338 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1cc(F)c(Cl)cc1Cl 2138944533 FLAJWTTXWNTWGH-NOZJJQNGSA-N 301.192 5.017 30 10 DKEE CCCCCCCOC[C@@H](NCCC)c1ccc(Cl)s1 2145509318 RXCIPENQNDDLCJ-CQSZACIVSA-N 317.926 5.429 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(C(F)(F)F)c(Cl)c1 2146765469 LYRZYSYJBMJZHI-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 2164073120 DNMDWOQCQVXXTP-LBPRGKRZSA-N 304.842 5.854 30 10 DKEE N#Cc1cc(F)c(NCc2cc3cscc3s2)cc1Cl 2177387490 GPUABDNBPXBEIL-UHFFFAOYSA-N 322.817 5.239 30 10 DKEE CCCCCC#CC[C@H](NC)c1cc(C(F)(F)F)cs1 2203809843 JIEIVNWWAHWBGL-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCC[C@H](C[C@H](C)P(C)(C)=O)NC 2207439411 WMSUMMPVPCDPLF-DLBZAZTESA-N 301.455 5.283 30 10 DKEE C=CCCCCCCC[C@H](NCC)[C@@H](C)OCc1ccccc1 2211147047 VMYIIIJDVMBECE-CTNGQTDRSA-N 317.517 5.487 30 10 DKEE CCCCCCCCCC(=O)c1cccc(Br)n1 2221577090 DQERGCGWZKNZCX-UHFFFAOYSA-N 312.251 5.168 30 10 DKEE C[C@H](Nc1ccc(C#N)c(F)c1)c1cc(Cl)cc(Cl)c1 2238007985 XKZUUBWEEWWLFG-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCN[C@H](C#Cc1ccc(Cl)cc1)c1cc(Cl)sc1C 2239474852 ZHWUAOJCOCYUCN-OAHLLOKOSA-N 324.276 5.066 30 10 DKEE C=C(C)CCCCc1c(Br)ccc(Cl)c1F 2244633761 HGSUBJCYKIABFE-UHFFFAOYSA-N 305.618 5.531 30 10 DKEE C=C(C)CCCC[C@H](N)c1sc(Cl)cc1Br 2244971528 LQSHSTHNIODOOP-JTQLQIEISA-N 322.699 5.300 30 10 DKEE C=CCCCCC[C@H](NCCC)c1csc(Cl)c1OC 2284284142 DEBCSAIIGCRXGR-AWEZNQCLSA-N 315.910 5.587 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(Cl)nc2Cl)CC1 2286803010 PYGITTPQBAMFOQ-INIZCTEOSA-N 311.256 5.431 30 10 DKEE C=CC1(NCc2sc(C(F)(F)F)cc2C)CCCCC1 2295047664 SCAOSHOUYOYMCV-UHFFFAOYSA-N 303.393 5.054 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1snc(OC)c1Cl 2295599750 VTFMMRDZGHYPMG-OAHLLOKOSA-N 318.914 5.120 30 10 DKEE O=CC1(Cc2cc(F)c(Cl)cc2Cl)CCCCCC1 2349879553 GLRHSJBGVUTMNJ-UHFFFAOYSA-N 303.204 5.215 30 10 DKEE C=CCC(CC=C)Sc1c(C)sc(CNC2CC2)c1C 2360376024 QPMHIPLCXRGQHR-UHFFFAOYSA-N 307.528 5.230 30 10 DKEE Cc1c(C[C@@]2(C#N)CCCC(F)(F)C2)ccc(Cl)c1Cl 2364219515 NAOMTQWSUVSLLW-AWEZNQCLSA-N 318.194 5.564 30 10 DKEE FC(F)(F)c1ccc(OCC2(CS)CCCC2)c(Cl)c1 2366675960 BQLQMVJMVUGTEE-UHFFFAOYSA-N 324.795 5.228 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@H](C)c1ccc(Cl)cc1Cl 37089333 ZITHPXKIEHHQRZ-SNVBAGLBSA-N 323.198 5.486 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1nc(C)sc1C 37766960 HVABXIDAZKDXSB-NSHDSACASA-N 304.484 5.211 30 10 DKEE CC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 49532231 QKQKHYRMBXIBMQ-CYBMUJFWSA-N 310.344 5.202 30 10 DKEE CCCCCCCOc1ccccc1CCCN[C@H](C)CC 106534413 ALDRIXRHKHKCKJ-GOSISDBHSA-N 305.506 5.357 30 10 DKEE CCCCCCCC[C@@H](CNCC)Cc1ccccc1Cl 110521157 VVHIKQFPYHLXJB-QGZVFWFLSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCCCc1nnc(CNC(C)C)s1 116083750 VOQOZPCAVDIXLF-UHFFFAOYSA-N 311.539 5.109 30 10 DKEE CSc1cccc(N[C@@H](C)c2cc(C)sc2C)c1C#N 167581566 VNGLHJSACJPUBZ-NSHDSACASA-N 302.468 5.132 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(C)cc1Br 167691291 VPWCDSLKNHWKLX-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ncccc2Cl)C1 227473155 BBBWJFHIPUJUJO-SCRDCRAPSA-N 308.878 5.182 30 10 DKEE C[C@@H](Nc1cc(Cl)c(F)c(Cl)c1)c1ccc(C#N)cc1 232027462 NGUJVYINFHWMRW-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(Br)cc1Cl 236549663 LRLWZHRHCCOFTQ-CQSZACIVSA-N 317.654 5.272 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(C)c(Br)c2)C1 313989871 LFRQROIZPGIMJS-WMLDXEAASA-N 320.274 5.410 30 10 DKEE CCCCCCCNc1ccc2ccccc2c1Br 396852021 ONZBJGGGCCDLAP-UHFFFAOYSA-N 320.274 5.985 30 10 DKEE CCCCCCCNc1ccc(OCc2ccccc2)cc1C 691034965 QIIZKSIVROWKGB-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE CC[C@](C#N)(C1CCCC1)N(C(=O)OC(C)(C)C)C1CCCC1 698875196 RCDKVOLPOHDZJV-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCc1ccc(NCc2ccc(C#N)cc2Cl)cc1Cl 709170267 NJCDFHMCUFDQLZ-UHFFFAOYSA-N 305.208 5.040 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Br)cc1C 715814412 RKMOUONOPBWXNY-WBMJQRKESA-N 310.279 5.010 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccccc1[C@@H](CC)NCC 1914960497 DBJHLWPDDGWGPB-OAQYLSRUSA-N 322.496 5.330 30 10 DKEE C[C@@H](CCS)CCN(Cc1ccccc1)Cc1cccs1 1915087314 UCZQPRJEWFWOIC-MRXNPFEDSA-N 319.539 5.096 30 10 DKEE Cc1cc(C#N)c(N(Cc2ccccc2)[C@H](C)C(C)(C)C)nc1C 1949692937 GTARPPPZNLQOKU-QGZVFWFLSA-N 321.468 5.011 30 10 DKEE C=CCCCCCCCCN[C@@H](C)CN(C)Cc1ccccc1 1995329032 XJRGWTWRWFQTBJ-FQEVSTJZSA-N 316.533 5.013 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(C)c(Br)s1 1996474657 QQKPFWISRRSQOB-MFKMUULPSA-N 316.308 5.072 30 10 DKEE SC[C@@H](CSc1cc(Cl)cc(Cl)c1)CC1CC1 2003368636 VMZAESUFLIVYNG-JTQLQIEISA-N 307.311 5.432 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cscc1Br 2013603725 YFRZDVQUAMTEBB-CQSZACIVSA-N 318.324 5.435 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCCC[C@H]1C 2027194312 ILAPJWPPWDGPSB-MLGOLLRUSA-N 306.247 5.020 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cccc(C)c1Br 2040531948 BENLAOBOAQVJCY-BBRMVZONSA-N 310.279 5.010 30 10 DKEE C#CCCCCCCCCCCCCNC(=O)OC(C)(C)C 2060432790 WFGMRDNJMIQYJL-UHFFFAOYSA-N 309.494 5.435 30 10 DKEE C=CCCCCCCCCC(=O)c1ccc(Br)cn1 2142435430 PIEWDMORMRUWRV-UHFFFAOYSA-N 324.262 5.334 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)C[C@@H](C)C(F)(F)F 2177937961 XDHSKCCAXOURIM-NEPJUHHUSA-N 303.393 5.354 30 10 DKEE C#CC[C@@H](C)C[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2196855089 BRGJSDIKAJIXQO-DOMZBBRYSA-N 303.858 5.118 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)cc(Cl)c2)CCCCC12CCC2 2197917645 PEMUFTDTRARQMM-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE CCCCCCCCCCOc1nc(Br)cs1 2216933792 YEEBXWKSSYUBCS-UHFFFAOYSA-N 320.296 5.425 30 10 DKEE CCCCCCCCCOC[C@H](N)c1ccc(Cl)s1 2230980886 HPRNZSVZVQUUOT-ZDUSSCGKSA-N 303.899 5.169 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(F)c(Cl)c1F 2235533475 UBHWIDMUROTVHW-UHFFFAOYSA-N 300.776 5.718 30 10 DKEE CCCCCC[C@@H](C)Nc1c(Br)cccc1C#N 2257482263 PQCAARULNBXKGH-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2270966480 FTANBZXJAJRKLR-MEDUHNTESA-N 300.273 5.555 30 10 DKEE C=CCCCSC[C@H](NCCC)c1c(F)cccc1Cl 2287078575 PPVIPGPWPGXEBM-HNNXBMFYSA-N 315.885 5.219 30 10 DKEE O[C@H](C#CC1CCCCC1)c1ccc(-c2cccs2)s1 2289777816 VQYDHFUFVJOZPD-CQSZACIVSA-N 302.464 5.094 30 10 DKEE CCCCCCCN(C)Cc1csc(C)c1Br 2303711521 WASCTHZFMPONRG-UHFFFAOYSA-N 318.324 5.221 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1F)c1ccc(C)cc1C 2330259214 AYNVDJMRIORBPE-UHFFFAOYSA-N 319.807 5.427 30 10 DKEE C=C(C)CCCC[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 2353134736 XTYCHLXVVKNHEY-MRXNPFEDSA-N 300.273 5.612 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(F)c(Cl)cc1Cl 2362237312 FOMQZKALDUCRRM-GLKRBJQHSA-N 316.247 5.528 30 10 DKEE Cc1c([C@H](N)C#Cc2cccc(Cl)c2)ccc(Cl)c1Cl 2364408589 SBKWJJIRBSFJBK-OAHLLOKOSA-N 324.638 5.007 30 10 DKEE CCCCCCCC[C@@H](C)/C=C/c1oc(OC)c(C)c(=O)c1C 60048836 JYPUJTPKNBWCGO-SZGUKTLCSA-N 320.473 5.665 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cc(F)cc(Br)c2)C1 94004413 VUTVYHCGLXXBSH-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE CCC1(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)CCCC1 94902684 WCLWYXVCXPPACO-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE CCCCCCCOc1cccc(NCc2cccs2)c1 100038764 GKPHVLLJQXNVJM-UHFFFAOYSA-N 303.471 5.709 30 10 DKEE CCCCCCCCSc1cccc(CNC(C)(C)C)c1 117892318 YBJUDFVVHBNPBV-UHFFFAOYSA-N 307.547 6.027 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(OCc2ccccc2)cc1 309652681 APWHNYSIOWSQGZ-OAQYLSRUSA-N 310.437 5.436 30 10 DKEE C[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)cc1Cl 695767058 BIJLVQKTTDAUKC-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Clc1ccccc1N=Cc1ccccc1OCc1ccccc1 1084489108 SZGJBKMEBZHRIZ-UHFFFAOYSA-N 321.807 5.670 30 10 DKEE COC1=C2CC[C@H]3[C@@H](CC[C@]4(C)[C@H](C)CC[C@H]34)[C@]2(C)CCC1=O 1088689509 KRJUBAZVBVUWFT-FFUSXRSHSA-N 316.485 5.129 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1ccc(C)cc1C 1857935359 DMGYQOUKJLRRRP-OQKWZONESA-N 303.405 5.397 30 10 DKEE CCCCCCCCC[C@@H](O)c1sc(N(C)C)nc1Cl 1920024151 PDPNFBXBVAORHU-GFCCVEGCSA-N 318.914 5.037 30 10 DKEE C=CCCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 1984553368 JMZBXDKVTJVEGW-QGZVFWFLSA-N 319.445 5.122 30 10 DKEE C=C(C(=O)c1ccc(Br)c(Cl)c1F)C(C)(C)C 2000293649 LVPOYHLWKNLSMN-UHFFFAOYSA-N 319.601 5.027 30 10 DKEE N#Cc1ccc(Cl)cc1OCc1cc(Cl)sc1Cl 2074830986 DJHBIFFEQGNBDT-UHFFFAOYSA-N 318.612 5.159 30 10 DKEE CCCC#CC[C@H](NCCC)c1cc(Cl)sc1Cl 2083407728 IRNGUHQSQCHMAB-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cccc(Br)c1C 2123089620 UONXMGJWJJEZRV-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=CCCCCCCNCc1csc(-c2ccsc2)n1 2144693959 AVEUCUFFNGAKAK-UHFFFAOYSA-N 306.500 5.098 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ccsc1Cl 2154633100 WALBKHQADALSKP-INIZCTEOSA-N 315.954 6.712 30 10 DKEE C=C1CC(CNCC(C)C)(Cc2c(Cl)cccc2Cl)C1 2159591796 MFLQSDOBZSCMGH-UHFFFAOYSA-N 312.284 5.118 30 10 DKEE N#Cc1ccc(NC2CC[Si]3(CCCC3)CC2)cc1Cl 2161347351 LGECPCBKFUZNEW-UHFFFAOYSA-N 304.897 5.029 30 10 DKEE CC#CCCCC[C@H](NCC)c1ccsc1C(F)(F)F 2196171013 FJXFKHPOUPQORV-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cc2sccc2s1 2203821287 CGXBYGQKSATRSI-CQSZACIVSA-N 305.512 5.587 30 10 DKEE CCCCC#CCC(=O)c1ccc(C(F)(F)F)cc1Cl 2203877579 LNPVTJBMXAXIDW-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1scc(Br)c1C 2213769638 ZBUZTYWGGBFROW-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE C=C[C@@H](CCCCC)OC[C@H](N)c1cccc(Cl)c1Cl 2239505856 ZWBJVODCGDSOEE-WFASDCNBSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCC[C@@H](N)c1sc(Cl)cc1Br 2244976078 LQSHSTHNIODOOP-SNVBAGLBSA-N 322.699 5.300 30 10 DKEE CC#CCC[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967479 PKWKOHFLOLAZSG-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(Cl)sc1Cl 2268768013 RGZFPUOPUOOKPT-LBPRGKRZSA-N 316.297 5.311 30 10 DKEE CCCCCC#CC[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2286518439 JWGAZJDDMHPUHE-QGZVFWFLSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCC[C@@H](N)c1nc(C(F)(F)F)cs1 2296089126 BIZSVDQCFKYTHI-LLVKDONJSA-N 306.397 5.078 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 2344394223 AYCGCEFPUOQMTJ-CVEARBPZSA-N 300.273 5.116 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)ccc1C[C@H](N)CC 2360330940 POQGPDWVUAIVKW-OAHLLOKOSA-N 309.906 5.233 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccccc1C(F)(F)F 37937323 OBWKWISGZVKSNE-CQSZACIVSA-N 310.706 5.036 30 10 DKEE SC[C@H](COc1cc(Cl)cc(Cl)c1)c1ccccc1 94584810 CDGPPFHOLBPQCU-LBPRGKRZSA-N 313.249 5.086 30 10 DKEE CCCOc1ccc(C)cc1C(=O)/C=C/c1sccc1C 96887961 NFVMGNBMUXOZNR-SOFGYWHQSA-N 300.423 5.050 30 10 DKEE CCCCCCC[C@@H](C)Oc1ccc(-c2ccc(O)cc2)cc1 100295889 XTSPTPWEUBUYJL-QGZVFWFLSA-N 312.453 6.187 30 10 DKEE O=C1/C(=C\c2ccccc2)CCC/C1=C\c1ccc(Cl)cc1 103289689 JVNRKLUOBQCOLV-SIJTWYJSSA-N 308.808 5.560 30 10 DKEE CCCCCCCCCc1nc(-c2ccc(N)cc2)cs1 104654498 IZDKSTXGDDVGQX-UHFFFAOYSA-N 302.487 5.685 30 10 DKEE CCCCCCCCCCOC(=O)c1cc(N)ccc1Cl 109895284 QPPNIDASTKIGJM-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE CCCCCCCC[C@H](CNCC)Cc1ccc(Cl)cc1 110187696 UCGCPYBTHRKIEO-SFHVURJKSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCCCC[C@H](NC)[C@]1(C)CCCS1 143501153 YRKGEODATYUISW-OALUTQOASA-N 313.595 6.171 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(F)cc1Br 159103641 RPLICYORUUCDOV-OAHLLOKOSA-N 316.258 5.339 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)cc1OC 164717771 SGMLOYPRQFOUCC-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE O=C(/C=C\c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 212569841 PLGXRPDALSLRCU-ALCCZGGFSA-N 311.595 5.543 30 10 DKEE COc1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 252461931 OIBCEGGBDUQASW-UHFFFAOYSA-N 317.388 5.025 30 10 DKEE C=CCCCCC[C@@H](O)c1ccccc1OCc1ccccc1 309948869 FECJTGCJVMNGNT-HXUWFJFHSA-N 310.437 5.436 30 10 DKEE C#C[C@@H](Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 383110290 FDCQOYPKHKZMFT-JOCHJYFZSA-N 313.400 5.052 30 10 DKEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(Br)cc1C#N 691074429 JYKONGZZNWRXGZ-WFASDCNBSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1cscc1Cl 711503296 WTOHRNOKYMFRCU-KRWDZBQOSA-N 316.938 6.746 30 10 DKEE CC1(C)CCCCC[C@@H]1Nc1ccc(Br)c(C#N)c1 719278174 XLHLVHHLBLXKPM-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE C=C1CCC(CN[C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 724453017 YXULBUYCHMVQKQ-LLVKDONJSA-N 316.247 5.530 30 10 DKEE Fc1ccc(NN=C(c2ccccc2)c2ccc(Cl)cc2)cc1 1082754842 XHJKSBOBIGXXNN-UHFFFAOYSA-N 324.786 5.344 30 10 DKEE CCc1ccc(C#Cc2ccc(Cl)cc2Br)cc1 1614826556 BGCCIJXJPFIRDA-UHFFFAOYSA-N 319.629 5.065 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 1857936326 HBVZBYNZWVHITM-KGENOOAVSA-N 313.828 5.160 30 10 DKEE CCCCCCCCn1cc(OCCCCC)c(=O)cc1C 1870083558 QQIYZROOVILFLH-UHFFFAOYSA-N 307.478 5.086 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cccc(F)c1Cl 1892439182 MCKNDYYDNSSGTL-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE CCCCCCC[C@](C)(O)C[C@H](C)COCc1ccccc1 1919906361 WLRUKYMJSPEAGE-ICSRJNTNSA-N 306.490 5.341 30 10 DKEE C=CCCCCC[C@]1(N)CC[C@@H](C)C[C@H]1OCc1ccccc1 1977524925 OCJHYVUJGRRUQM-NRSPTQNISA-N 315.501 5.226 30 10 DKEE Cc1csc(C(=O)C2=CCC(C)(C)CC2)c1Br 2010762402 GOISQSSYBIEZTC-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cc(Cl)c(Cl)s2)CC1 2061180232 XARZUZGNPYNHRM-SECBINFHSA-N 303.254 5.620 30 10 DKEE C=CCCCCCC[C@@H](N)c1cccc(Br)c1F 2085857108 VIACHZSWGFTFKF-CQSZACIVSA-N 314.242 5.115 30 10 DKEE CCCCCCCC[C@H](NC)c1c(Cl)cncc1Cl 2107775914 JNRTYGVTFOTQLF-AWEZNQCLSA-N 303.277 5.400 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(-c2cccs2)cs1 2164070986 VURQFWUTUFRBPI-HNNXBMFYSA-N 305.512 5.874 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1ccc(Cl)cc1Cl)C1CC1 2196860012 XIBHPYADMMUSFN-SUMWQHHRSA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCCOC1(CC)CCC2(CC1)OCCO2 2207404942 VRQXKOUMFVIILQ-UHFFFAOYSA-N 324.505 5.386 30 10 DKEE CCC(CC)(CS)CSc1nc(-c2ccncc2)cs1 2234272596 SSSBUCQPUOZFEG-UHFFFAOYSA-N 324.540 5.033 30 10 DKEE C=C[C@H](CCCCC)OC[C@@H](NCC)c1ccc(Cl)s1 2239491092 XMTOMZAUENVHLD-ZIAGYGMSSA-N 315.910 5.204 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OCC1(CS)CC(C)C1 2254147380 BPSGDQKJSQBQGP-UHFFFAOYSA-N 305.270 5.027 30 10 DKEE CCCCCCCC[C@@H](OCCCN)c1sccc1Cl 2292802774 WGJHMRVASHRSJN-OAHLLOKOSA-N 317.926 5.559 30 10 DKEE C[C@H]1CC[C@H](CSc2ccc(C#N)cc2Br)CC1 2313832610 QRLGFYGFBOLEMK-HAQNSBGRSA-N 324.287 5.239 30 10 DKEE C=CCC(CC=C)Sc1sc(CNC(C)C)c(C)c1C 2360374231 HONSFPIVVLTWQY-UHFFFAOYSA-N 309.544 5.476 30 10 DKEE C[C@H]1CCCC[C@]1(C=O)CCCCC(F)(F)C(F)(F)F 2368118040 UEEOOVCWUKZHLC-NWDGAFQWSA-N 300.311 5.140 30 10 DKEE Cc1ccc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)cc1C 37346343 XNATZKLWKIPYEZ-OAHLLOKOSA-N 318.203 5.100 30 10 DKEE Cc1cc2nc(-c3ccccc3Cl)n(CCCC#N)c2cc1C 57869023 BXFMJBYHPZFVKZ-UHFFFAOYSA-N 323.827 5.277 30 10 DKEE C=CCOc1ccc(/C=C\c2nc3ccccc3s2)cc1OC 96767184 RJKPFERSPHPOIZ-LUAWRHEFSA-N 323.417 5.040 30 10 DKEE SCC1(CSCc2ccc(Cl)cc2)CCCCCC1 166587558 MYHFJZJRWDSVQR-UHFFFAOYSA-N 314.947 5.844 30 10 DKEE CCCCCCCCCC(=O)Cc1nc(C(C)(C)C)cs1 168921376 LRBUAKYOOXBPHS-UHFFFAOYSA-N 309.519 5.693 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Br)nc1C 232950906 IPQKMQWPEYMIMI-LBPRGKRZSA-N 313.283 5.313 30 10 DKEE Cc1scc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c1C 399766714 JBGKXQIVHFKQGM-SNVBAGLBSA-N 324.232 5.162 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 686702426 HQAPIWJILMTTNT-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE CC(C)(C#N)CCCCn1ccc2cccc(Br)c21 707404974 XOXGOIILYNBSJC-UHFFFAOYSA-N 319.246 5.124 30 10 DKEE C=C(C)CCOC[C@H](NCCC)c1cccc(Cl)c1Cl 708944944 CXPISYBQPHEFIA-HNNXBMFYSA-N 316.272 5.017 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 710604573 TVEUJIPGQXKKPN-LJQANCHMSA-N 315.844 5.059 30 10 DKEE C=C1CCC(C[C@@H](Cc2c(Cl)cccc2Cl)NC)CC1 724589429 QYCXWLVROBVERH-AWEZNQCLSA-N 312.284 5.260 30 10 DKEE CCCCCCCCC(=O)NC1(c2ccc(F)cc2)CCC1 1866090307 ZZHVSIXGARNJAM-UHFFFAOYSA-N 305.437 5.072 30 10 DKEE CCCCCCCCCCNC(=O)/C=C/c1cccc(F)c1 1866093039 IICZFNQQTYUZGU-BUHFOSPRSA-N 305.437 5.096 30 10 DKEE CCCCCCCCCCNC(=O)C(C)(C)c1ccccc1 1866261431 RCTVVGMKEMYZJD-UHFFFAOYSA-N 303.490 5.221 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)[C@@H](C)C(C)C 1917919898 AJUINIPAUOXVNS-FXAWDEMLSA-N 303.556 5.999 30 10 DKEE N#Cc1ccc(CN(Cc2ccccc2)C2CCCCC2)c(F)c1 1946850083 CQKXCZDTJBXSIB-UHFFFAOYSA-N 322.427 5.032 30 10 DKEE CCCCCCCC[C@H](N)c1sc(Br)cc1C 1950208003 MPYRGJPLDKSFGH-LBPRGKRZSA-N 318.324 5.569 30 10 DKEE C=CCCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 1984514265 ATZXWPCWOHDSAQ-INIZCTEOSA-N 318.461 5.088 30 10 DKEE C=CCCCCCCC(=O)c1c(C)cccc1Br 2085849080 HOSBJXIIXQDKPK-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE N#C[C@@H](c1cccc(Br)c1)[C@H]1CCC2(CCCC2)C1 2098998534 MFVQIVZUOIXKOR-HOCLYGCPSA-N 318.258 5.417 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2102110938 JPDLNJKGZXTOTR-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CCCCCC#CC[C@H](NCC)c1ccc(Br)cc1 2138964116 RXILZJYOPGLDHI-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(C(F)F)cs1 2161270709 OUUGWIDVYCBTLP-CQSZACIVSA-N 303.462 6.087 30 10 DKEE C=C(CNc1cc(OC)c(Cl)cc1Cl)c1ccccc1 2203257080 GDJRZDCSKFOCCB-UHFFFAOYSA-N 308.208 5.127 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccc(Cl)cc1Cl 2207440169 XHWZPXWTHHHUCZ-KRWDZBQOSA-N 314.300 6.300 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 2217612944 JUQGBQWKRRBRAX-UHFFFAOYSA-N 307.648 6.190 30 10 DKEE CCCCCCC[C@H](NCC)c1nc(C(F)(F)F)cs1 2234788681 CRGZCPFUTYGUJQ-NSHDSACASA-N 308.413 5.173 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2236310888 RRRMIVRLZJOZQT-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE CCCCCCCC[C@@H](O)[C@H]1CCCN(Cc2ccccc2)C1 2244000893 LEEZRPWVFCBAHY-LEWJYISDSA-N 317.517 5.010 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cccc(C(C)(C)C)c1 2245448968 FQJVEENSSQUORJ-UHFFFAOYSA-N 307.481 5.562 30 10 DKEE CCCCCCCCC[C@H](C)N(CCCN)Cc1ccccc1 2246053560 MLRUIXTWNCCVSC-FQEVSTJZSA-N 318.549 5.367 30 10 DKEE C=C(C)CCCC[C@H](N)c1c(Cl)cccc1Br 2250134032 UBRXTNWHQTZMNA-ZDUSSCGKSA-N 316.670 5.239 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(Br)c(C)s1 2250162670 BJMMJQWDYZXWCQ-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CCCCCCC[C@@H](OCC(=O)O)c1cc(Cl)sc1C 2290894780 MMYVYZHYPPQWTN-CYBMUJFWSA-N 318.866 5.213 30 10 DKEE CCCCCCCNC(=O)C(=Cc1ccccc1)c1ccccc1 2313620616 GJEIVBIQINEMNN-UHFFFAOYSA-N 321.464 5.314 30 10 DKEE C=CC[C@H](CNCCC)Cc1ccc(Cl)c(Cl)c1C 2338705025 JOKLURLVVJADGG-ZDUSSCGKSA-N 300.273 5.036 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cscc1C(F)(F)F 2364085253 BEEVKFJKUFBTLJ-AWEZNQCLSA-N 303.393 5.186 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1cc(Cl)c(OC)c(Cl)c1 2365511146 WNAHMAJMLLYNEY-INIZCTEOSA-N 317.256 5.330 30 10 DKEE Cc1oc(C)c(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1C 87199443 RQKGHQJKBWESSA-LBPRGKRZSA-N 322.191 5.002 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc(C(C)=O)c1 108791843 YKVWRKCOFXCBJH-UHFFFAOYSA-N 317.473 5.749 30 10 DKEE CCCCCCCC[C@@H](NC)c1cccc(C(F)(F)F)c1 109717834 AUIPOCAWBMLEEC-MRXNPFEDSA-N 301.396 5.717 30 10 DKEE CCCCCCCCCOc1ccc(C[C@H](C)N)cc1Cl 109765279 AFRPLGHGUIDKDC-HNNXBMFYSA-N 311.897 5.359 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(OC(F)F)c(F)c1 109906182 VEWGBHQSFMUTLM-GFCCVEGCSA-N 303.368 5.588 30 10 DKEE N#Cc1ccc(Cl)c(NCc2c(Cl)cccc2Cl)c1 125640110 KUIFJQMLMLAJST-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCCCCCCC[C@]1(C(=O)O)CCCS1 128919479 UISHTVNXXQOSPJ-QGZVFWFLSA-N 300.508 5.648 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 135408547 IXHGNAHZNMRONK-HUUCEWRRSA-N 306.412 6.065 30 10 DKEE CCCCCCCCCCCC[C@H](O)C(CC)(CC)OC 161962844 AMGUYJPXSHQYRA-SFHVURJKSA-N 300.527 5.864 30 10 DKEE CCCCCCCCCCCCSc1ccc(C(C)=O)cc1 165711288 MBAKURXDUCWXBZ-UHFFFAOYSA-N 320.542 6.902 30 10 DKEE CCCCCCCCCC(=O)Cc1c(Cl)c(C)nn1CC 166965828 FXSWQPGVKRIFGH-UHFFFAOYSA-N 312.885 5.117 30 10 DKEE C=C(CNC(C)(C)C)CSc1ccc(Cl)c(Cl)c1 231581000 IJCXGRKLYZHAMM-UHFFFAOYSA-N 304.286 5.030 30 10 DKEE CCCCCCCC[C@@H]1C(=O)Nc2c(Br)cccc21 232936693 RROJVCYWQDLPQE-ZDUSSCGKSA-N 324.262 5.235 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCCC[C@@H]2C)cc1Br 314632238 QXKNPXQKYOTVCO-XJKSGUPXSA-N 306.247 5.020 30 10 DKEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 398135335 XOPUZEWQIIZDCE-RTBURBONSA-N 323.480 5.661 30 10 DKEE N#CCc1c[nH]c2cccc(-c3cccc(Cl)c3Cl)c12 514263879 WQWLZNXTJOPCBK-UHFFFAOYSA-N 301.176 5.208 30 10 DKEE CCCCCCC[C@](N)(CC)c1cccc(Br)c1 707776946 LPABJHUIGBJUDD-MRXNPFEDSA-N 312.295 5.374 30 10 DKEE Cc1ccc(N=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 725437598 QSKPVFYVVLSJFY-UHFFFAOYSA-N 316.448 5.770 30 10 DKEE C=CCC(CC=C)[C@@H](CCCOCc1ccccc1)NCCC 1901004619 FIRBUDZNGMSIDO-OAQYLSRUSA-N 315.501 5.120 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(Br)cc1F 1919615151 VMRVZGKVNLGXIW-HNNXBMFYSA-N 317.242 5.156 30 10 DKEE C=CC[C@@H](C)C(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925611570 MVLRNEWSAKFXAS-CYBMUJFWSA-N 317.429 5.045 30 10 DKEE CCCCCCCOCc1ccc(Cl)cc1Br 1941193919 VQJKPZJLODMJJD-UHFFFAOYSA-N 319.670 5.590 30 10 DKEE CCCCCCCCN1CC[C@@]1(C)CCOCc1ccccc1 1991962986 VIHSJWBOPKKHGS-NRFANRHFSA-N 317.517 5.418 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)c(Cl)s1)C(C)(C)C 2038533158 KHOPYLPZASIESM-LBPRGKRZSA-N 306.302 5.698 30 10 DKEE C=C1CC(C[C@H](NCCC)c2scc(Cl)c2Cl)C1 2061736315 FGKMYQYSHACSHP-LBPRGKRZSA-N 304.286 5.452 30 10 DKEE C=CCC[C@H](C)N[C@H](c1cccs1)c1ccc(Cl)s1 2110808086 PKBXQYGMUXPZPC-XHDPSFHLSA-N 311.903 5.497 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCCCC2(C)C)cc1Br 2117014027 NQFGPNROGLTESF-KRWDZBQOSA-N 320.274 5.410 30 10 DKEE NC1(CC#Cc2cc(Cl)c(Cl)cc2Cl)CCCCC1 2136611653 FMCBWDMWGMCWFZ-UHFFFAOYSA-N 316.659 5.050 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H](O)c1cscc1Cl 2148578583 LYBZXPUKILSXMO-JKSUJKDBSA-N 317.926 5.293 30 10 DKEE C=CC1(C[C@@H](O)c2cc(C(F)(F)F)ccc2Cl)CCC1 2168028825 QCSNVKCYUMDYSY-CYBMUJFWSA-N 304.739 5.139 30 10 DKEE CCCCC#CCC(=O)c1cc(C(F)(F)F)ccc1Cl 2203876389 HMWXHYBJXKZODU-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1OC 2204247014 CILNPUKQBZELCY-AWEZNQCLSA-N 318.288 5.752 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1Cl 2220126834 YVRRFFPHUPIVLP-ZDUSSCGKSA-N 308.680 6.007 30 10 DKEE Cc1cc(Cl)cc(Oc2cc(Br)ccc2C#N)c1 2223401542 VWLPOENSQOSANU-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCCCCN1CCc2c(Br)cccc21 2227269523 ADCNHUUQPLBXGH-UHFFFAOYSA-N 322.290 5.338 30 10 DKEE SC[C@@H](CSc1nc(-c2ccccc2)cs1)CC1CC1 2234270403 FOQBKIZFXZGISA-ZDUSSCGKSA-N 321.536 5.248 30 10 DKEE CCNc1cccc(C#Cc2cc(Cl)c(Cl)cc2C)c1 2279049028 XFCOZJLOWJAPMG-UHFFFAOYSA-N 304.220 5.133 30 10 DKEE C=CCCCCCCCSC[C@H]1Cc2ccccc2S1 2287192036 KQNISQPYHXIHQL-QGZVFWFLSA-N 306.540 5.963 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1ncc(Cl)cc1Cl 2287415524 VGHWIVCXAVZIAZ-HNNXBMFYSA-N 315.288 5.566 30 10 DKEE C=CCCCCCC[C@H](OCC(=O)O)c1cscc1Cl 2292421392 DMUAWNQHQIPXAR-AWEZNQCLSA-N 316.850 5.070 30 10 DKEE Cc1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1 2296390087 JTGMQEDQKBUKSW-UHFFFAOYSA-N 319.433 5.230 30 10 DKEE CCCCCCCC[C@@H](O)c1c(Cl)sc(Cl)c1C 2314500041 JHVDDQYPPPLLJJ-LLVKDONJSA-N 309.302 6.147 30 10 DKEE CCCCCCC=CCCCCCCCCOS(C)(=O)=O 2333294375 SNUPNOSJSJKCJM-UHFFFAOYSA-N 318.523 5.220 30 10 DKEE C=CCC(CC=C)S[C@H](c1cccc(Cl)c1)[C@@H](N)CC 2360198925 QANGQFHPSFRXDW-DLBZAZTESA-N 309.906 5.372 30 10 DKEE C=CCCCCCCCSc1cc(C(=O)O)ncc1Cl 2361548713 IMEUNRGCVKIZHL-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE C=CC[C@H]1CCC[C@@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 2362236386 PJXQQOUFGYJQGM-ZANVPECISA-N 315.200 5.058 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C)s1)N2 14456697 QMAYNARSSBVOMW-TWOQFEAHSA-N 323.461 5.448 30 10 DKEE CCCCCCCC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 59100125 YYPSCHHJXCSBMW-AWEZNQCLSA-N 312.240 5.530 30 10 DKEE CCOc1cccc2cc(C(=O)/C=C/c3ccc(C)cc3)oc12 83201529 MSOJZPCDLWYMJD-VAWYXSNFSA-N 306.361 5.036 30 10 DKEE Cc1cc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)sc1C 87567419 VZGQTEOWRILKMU-LLVKDONJSA-N 324.232 5.162 30 10 DKEE CC(C)(C)[C@@H](CS)COc1ccc(-c2ccccc2)cc1 94582723 XPVVXRCJSCQGMF-QGZVFWFLSA-N 300.467 5.325 30 10 DKEE CCC[C@@H](CS)COc1cc(Cl)c(Cl)cc1Cl 94583545 VYCYBXNXFGEGMM-MRVPVSSYSA-N 313.677 5.372 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(O[C@H](C)CC)cc1 100048374 YGIVYYRRJNCYFX-MSOLQXFVSA-N 305.506 5.875 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Cl)cc1C(=O)OC 109781262 LWXRRWFIQMSZPJ-CYBMUJFWSA-N 311.853 5.288 30 10 DKEE C=CCSc1ccccc1NCc1cc(Cl)cc(Cl)c1 109900808 IZOADNXLIPNINT-UHFFFAOYSA-N 324.276 5.884 30 10 DKEE N#Cc1ccc(Br)cc1Nc1ccc2ccccc2c1 123214844 ZYKNYOIILZPCIP-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCC[C@@H](C)Oc1cc(Br)cc(C#N)c1 227634476 TYFFCIXDMNLYEG-GFCCVEGCSA-N 310.235 5.058 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1ccc(Cl)c(F)c1 232943696 MOEVSPGIIBZBJK-OAHLLOKOSA-N 300.845 5.523 30 10 DKEE CCCCCCC[C@@H](CN)N(C)[C@H](C)c1ccc(Cl)cc1 250825475 NJCJYDUNGRTGDG-QAPCUYQASA-N 310.913 5.021 30 10 DKEE C[C@H](Nc1cccc(CC#N)c1)c1ccc(Cl)cc1Cl 313411251 PKRVNCKKRGEHLZ-NSHDSACASA-N 305.208 5.233 30 10 DKEE CCCCCCCCC[C@H](Cc1csc(Cl)c1)NCC 379000558 RWSAKZPGQIBFTK-MRXNPFEDSA-N 315.954 6.063 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2)cc1)c1ccccc1F 606302932 MVBAHDQYTIDIBE-QINSGFPZSA-N 302.348 5.389 30 10 DKEE Clc1ccc(N=C2NC3(CCCC3)CCS2)c(Cl)c1 687318269 FZSZCBJAAYOCBB-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC[C@@H]1C(C)C 698830751 XJETVMGERBKELK-APWZRJJASA-N 322.493 5.132 30 10 DKEE CCC[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698875872 RYBIDBOHIMBVHC-DOTOQJQBSA-N 322.493 5.275 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1ccccc1OCc1ccccc1 715719257 IXHGQLDIZCJINT-DYESRHJHSA-N 309.453 5.128 30 10 DKEE CCc1cccc2c(SC(F)(F)F)c(CC#N)sc12 725303422 JXWXKBPPGPVVSF-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)CC2CCCCC2)C1 1946754828 UOCFZYHBMCQTKI-COPCDDAFSA-N 324.512 5.397 30 10 DKEE C=C(c1ccccc1)[C@@H](N)c1cscc1OCc1ccccc1 1991751212 VBDVDRRCBCDDQX-HXUWFJFHSA-N 321.445 5.040 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2081458453 XOINCPDMKISKAX-YMTOWFKASA-N 306.664 5.510 30 10 DKEE C=C[C@H](C)C[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2116656176 OIOYRFFRCBHRTE-GXTWGEPZSA-N 300.273 5.116 30 10 DKEE Cc1cc(Cl)cc(Cl)c1N=C1N[C@@](C)(C(C)C)CS1 2136371052 LYDVZHSJTGSOFU-CQSZACIVSA-N 317.285 5.040 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1ccccc1Br 2138958131 DPPYLEKROFFLAM-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCCCCCCCC[C@@H](N)[C@H](O)c1cc(Cl)sc1C 2154433773 HVRVEPUOYXHVJG-GDBMZVCRSA-N 317.926 5.211 30 10 DKEE C=C1CC(CCc2cc(Cl)cc(Cl)c2)(CNC2CC2)C1 2159591965 MYMPBHMCNSSXBX-UHFFFAOYSA-N 310.268 5.014 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1cc(Cl)ns1 2167199106 XUTWPRFDRVTCOY-AWEZNQCLSA-N 316.942 6.107 30 10 DKEE CC#CCCCC[C@H](NCCC)c1ccc(Cl)cc1Cl 2196169532 GTZIKTNZRBVYSH-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE C=C([C@H](NCC)c1ccc(-c2cccs2)s1)C(F)(F)F 2205874739 OLSFAHPFZHJCFB-ZDUSSCGKSA-N 317.401 5.246 30 10 DKEE C[C@H](CC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C(C)(C)C 2234053283 HRDVDOZZBFEEMT-MFKMUULPSA-N 312.240 5.242 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234054249 QQSKPMNLTFIPKR-LBPRGKRZSA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Cl)c(Cl)cc1C 2269376351 LBAWECOQVADCEZ-INIZCTEOSA-N 302.289 5.836 30 10 DKEE N#C[C@H](CSC[C@H]1CCCCC1(F)F)C1CCCCC1 2283106904 JWXHDOXLVSPBHD-HUUCEWRRSA-N 301.446 5.265 30 10 DKEE CCCCCCCc1ccc(C=Cc2nc(CCC)no2)cc1 2294306206 BINCNRZHCBGGPC-UHFFFAOYSA-N 312.457 5.705 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@H](N)c1cscc1Cl 2295676271 JGXPVUVXBLQLKO-CVEARBPZSA-N 317.926 5.293 30 10 DKEE C=CCC(CC=C)[C@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2364091754 HIEJJXSONLDBBC-AWEZNQCLSA-N 304.739 5.161 30 10 DKEE CCCC[C@](C=O)(CC)CCCCC(F)(F)C(F)(F)F 2368177208 OTXVZRPVJRKFGF-GFCCVEGCSA-N 302.327 5.530 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 14460221 DQTYJLYAOJCRSC-FCEWJHQRSA-N 306.796 5.038 30 10 DKEE Cc1ccc(/N=C/c2cccc3ccccc23)cc1Br 59457258 XJDUDFNECFVJLI-UDWIEESQSA-N 324.221 5.661 30 10 DKEE SCC1(CO[C@@H]2CCCc3ccccc32)CCCCCC1 94583804 CXIPPOYOEZJUNL-GOSISDBHSA-N 304.499 5.351 30 10 DKEE SCCCCCCCCCN1CCC2(CCCCC2)CC1 97799259 WCUYVOFVEBNEOW-UHFFFAOYSA-N 311.579 5.693 30 10 DKEE CCCCCCCOc1c(Cl)cc(C(=O)O)cc1Cl 100754578 GYOMXICBTMSTIL-UHFFFAOYSA-N 305.201 5.041 30 10 DKEE CC[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1Cl 126252145 FZAABWVNDKJFQY-OAHLLOKOSA-N 323.198 5.567 30 10 DKEE N#CC1(Cc2ccc(Cl)cc2[N+](=O)[O-])CCCCCCC1 156743509 PCRHXIIQQLMGNI-UHFFFAOYSA-N 306.793 5.045 30 10 DKEE CCCCCCC[C@H](N)c1cc(Br)ccc1Cl 158038130 CQTCVFVARGEKSJ-AWEZNQCLSA-N 318.686 5.463 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1sccc1OC 162513549 NDXQAOHXZOBCPK-INIZCTEOSA-N 311.535 6.068 30 10 DKEE CCCCCCCCCOc1c(Cl)cccc1C[C@H](C)N 166207420 PEZCMGAXXAHMTF-HNNXBMFYSA-N 311.897 5.359 30 10 DKEE N#Cc1ccc(NCc2cc(-c3cccs3)cs2)c(F)c1 168280924 CANRUCRTRSDANR-UHFFFAOYSA-N 314.410 5.099 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(C)c1)N2 226868857 SBMMVGUQILDFKD-XQBPLPMBSA-N 317.432 5.386 30 10 DKEE CCCCCCCCNc1cccc(NC(=O)OC(C)(C)C)c1 227589488 LRIVZANRIRSAAE-UHFFFAOYSA-N 320.477 5.806 30 10 DKEE Cc1ccc(C)c(Sc2cc(Br)cc(C#N)c2)c1 227638071 IYCGWJZHTFBFHA-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCCCCNCc1ccsc1Br 388452439 YVVCXZPZLYHMII-UHFFFAOYSA-N 318.324 5.351 30 10 DKEE Cc1cc(Br)c(C)c(OCCCCC(C)(C)C#N)c1 686547034 TTWLRHZXKMZJFQ-UHFFFAOYSA-N 324.262 5.165 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1ccc(OCc2ccccc2)cc1 695864321 MPLKEYYPTJRHAX-MRXNPFEDSA-N 308.425 5.006 30 10 DKEE C=CCCSCCN[C@H](C)c1sc2ccccc2c1C 696099272 KBPHMXZLPGSHKX-CQSZACIVSA-N 305.512 5.170 30 10 DKEE CCC[C@@](C#N)(C1CCCC1)N(C(=O)OC(C)(C)C)[C@H](C)CC 698421448 ZUKLUYUXQSZEEZ-DNVCBOLYSA-N 322.493 5.275 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 722138048 UASJBRSFGCOODD-CXAGYDPISA-N 313.268 5.712 30 10 DKEE Cc1cc(N=Cc2cccn2-c2ccc(Cl)cc2)ccc1F 1083931632 VSSRDJHBZUPSPC-UHFFFAOYSA-N 312.775 5.329 30 10 DKEE C=CCC(C)(C)Nc1ccc(Br)cc1C(F)(F)F 1913968107 VTXBNYORHHBBIW-UHFFFAOYSA-N 322.168 5.235 30 10 DKEE O=C(C=C1CCCCC1)c1cscc1OCc1ccccc1 1974520844 HUMJHZJWEZWIPH-UHFFFAOYSA-N 312.434 5.400 30 10 DKEE CCCCCCCN(C)[C@@H](C)c1cscc1Br 2013632622 WKXHNWFZXSELFZ-LBPRGKRZSA-N 318.324 5.474 30 10 DKEE C=CC[C@@H](C)C[C@@H](NCCC)c1ccc(Br)cc1 2050518749 ODXXVXKRILMBHH-CZUORRHYSA-N 310.279 5.092 30 10 DKEE C#Cc1cc(C(C)C)nn1[C@H](CC)c1ccccc1C(F)(F)F 2070094020 DQSDKQDHKRPSQI-QGZVFWFLSA-N 320.358 5.006 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(Cl)c(Cl)s2)C1 2098752851 SJIUCGLMUOKROH-GAJTVXKRSA-N 318.269 5.198 30 10 DKEE CC1([C@@](C)(C#N)Nc2ccccc2Br)CCCCC1 2101392180 ZYPHZUHLVQMHIB-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE Cc1c(Br)cccc1CC1(C#N)CCC2(CC1)CC2 2120090805 IHOUUZRUQSMERJ-UHFFFAOYSA-N 318.258 5.164 30 10 DKEE CCCN[C@@H](CC#C[Si](C)(C)C)c1cc(C)c(Cl)s1 2130921542 BHUGZFXLSSCEBE-ZDUSSCGKSA-N 313.970 5.022 30 10 DKEE CCCCC#CC[C@H](NCCC)c1cc(Cl)sc1Cl 2138984784 CKNXVCQSEHYECA-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE CCCCCCCC(=O)c1c(Cl)ccc(Cl)c1OC 2139493834 SWKMTFNBGHEMPA-UHFFFAOYSA-N 303.229 5.545 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H](O)c1cc(Cl)cs1 2148586412 IQPZMILJFIEKJA-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1cc2sccc2s1 2149857919 NIAUCIOKNOMODD-AWEZNQCLSA-N 303.496 5.197 30 10 DKEE FC(F)(F)[C@@H]1CCCC[C@H]1OCC1(CS)CCCCC1 2239958045 IHBFVFROEJCOCJ-CHWSQXEVSA-N 310.425 5.004 30 10 DKEE CCCCCCC[C@@](C)(O)CCCC(F)(F)C(F)(F)F 2240451686 SWZDRZTZWZDSPI-GFCCVEGCSA-N 304.343 5.466 30 10 DKEE C=CCCCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2254718413 GMNFKLSKPBOFJH-MRXNPFEDSA-N 310.279 5.319 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2271835942 ZYKHRXPPCDXDIN-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C=C([C@@H](OCCCN)c1cc(Cl)sc1Cl)C(C)(C)C 2276554044 YXRONGPAYKDTKL-GFCCVEGCSA-N 322.301 5.064 30 10 DKEE CCCCCCC[C@H](NCC)c1csc(C(C)(F)F)n1 2289379480 CTUPPORAVYSSSC-LBPRGKRZSA-N 304.450 5.266 30 10 DKEE CCCCCCCCC[C@@](C)(O)C(=O)c1sccc1Cl 2295595951 FZJLXMAGQQJOQJ-MRXNPFEDSA-N 316.894 5.476 30 10 DKEE CCCCCCC[C@H](NC)c1csc(C)c1Br 2303644786 VICDSUIZSJYCTL-ZDUSSCGKSA-N 318.324 5.440 30 10 DKEE CCCOc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2324128427 WYAINNACJNVXGD-UHFFFAOYSA-N 316.400 5.525 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349845663 QXGMOIUCTGRULO-BONVTDFDSA-N 302.220 5.139 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1ncc(Cl)cc1Cl 2364070605 LQHJISJFUXXDJL-HNNXBMFYSA-N 313.272 5.198 30 10 DKEE C#CCCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2364549692 YAYVCOVUWIIUHC-MRXNPFEDSA-N 312.284 5.536 30 10 DKEE Cc1c([C@H](O)[C@]2(C#N)CCCC[C@@H]2C)ccc(Cl)c1Cl 2366098530 GZCYFQNFBMTAHG-HNHYXYPQSA-N 312.240 5.055 30 10 DKEE C=CC[C@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366806348 SGZAPTSYIXYEBU-GUYCJALGSA-N 314.300 5.506 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1ncc(C(F)F)s1 2369604391 KVHHYHMBJKTCKV-GFCCVEGCSA-N 302.434 5.258 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 2377338053 SDUPYGZNCKOYLC-JTQLQIEISA-N 315.215 5.698 30 10 DKEE CC(C)(C#N)c1ccc(NCc2ccc(Cl)cc2Cl)cc1 36922211 ZEOAWIKRRNVXDP-UHFFFAOYSA-N 319.235 5.407 30 10 DKEE C/C(=C\CCC(C)C)C(=O)CC[C@@H](C)CCC[C@@H](C)CC(=O)O 71404724 MIWRWJAQQDMVLP-JMDKGTDFSA-N 324.505 5.635 30 10 DKEE C=CCSc1ccccc1NCc1cc(Cl)ccc1OC 109900729 LHGSFFIZLKTBRD-UHFFFAOYSA-N 319.857 5.239 30 10 DKEE CCCCCCCCCCN[C@H]1CCCC[C@@H]1C(F)(F)F 129305189 HJQZTBVEXKSBOQ-HOTGVXAUSA-N 307.444 5.838 30 10 DKEE CSc1cccc(Oc2cccc(C(F)(F)F)c2)c1C#N 136707149 LCUDPPKVHDGQDE-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE C=CCN(c1ccc([C@@H](C)NCCC)cc1Cl)C(C)(C)C 162272784 CKQHJNCXVKHOFN-CQSZACIVSA-N 308.897 5.192 30 10 DKEE Clc1ccccc1C=NN=C(c1ccccc1)c1ccccc1 254850644 ARPOXCMVMFZYMK-UHFFFAOYSA-N 318.807 5.212 30 10 DKEE C=C(CNc1cc(Cl)cc(Br)c1)c1ccccc1 308337819 LVUISLCEOVMBBF-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC(C(C)C)CC1 698373989 FXCRUJQMWVZXCF-LYGPFTKASA-N 322.493 5.131 30 10 DKEE CSc1c(C#N)cc2ccsc2c1SC(F)(F)F 725291851 DINOCPNDEMDLPJ-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE Clc1ccc(-n2cccc2C=Nc2cccc(Cl)c2)cc1 1084539345 PFYIMRXLIINEQI-UHFFFAOYSA-N 315.203 5.535 30 10 DKEE C(=Nc1ccc(C2CCCCC2)cc1)c1ccc(N2CCCC2)o1 1084577874 LVEDKLZKDFEDHR-UHFFFAOYSA-N 322.452 5.678 30 10 DKEE CCCCC#Cc1ccc(C#Cc2cc3ccccc3s2)s1 1615217456 TVAMYINJIVZDSU-UHFFFAOYSA-N 320.482 5.904 30 10 DKEE N#Cc1ncc(Cl)cc1-c1cc(Cl)c(Cl)cc1Cl 1848359145 ZMGUYISXGXCBOD-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCCCCCCCCOCC[C@H](C)NCc1ccccc1 1915371501 ZIGOOCWMPMOULH-IBGZPJMESA-N 305.506 5.322 30 10 DKEE C=CCC[C@H](C)c1c(Br)cccc1Br 1955244877 UNPSUSUCYBFQHK-VIFPVBQESA-N 318.052 5.281 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@H](CCC)CC[C@H]1C#N 1978877983 UILJOQLPIBMJQQ-HLAWJBBLSA-N 310.485 5.173 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)CC1CCC1 1981292525 UDPOSQRTRDRMMH-UHFFFAOYSA-N 315.501 5.074 30 10 DKEE CCC(C)(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1989852489 BPJJWSSFQCRYQV-IBGZPJMESA-N 322.493 5.275 30 10 DKEE CCCCCCCCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 1990760403 JNWFGUSJDWGYHI-HXUWFJFHSA-N 317.517 5.417 30 10 DKEE C=CCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 2000880667 XDOUNEBHZCHUGB-NJDAHSKKSA-N 324.512 5.419 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(Cl)c(Br)c2)CC1 2010599146 ADOAJQZTAAWIIQ-VIFPVBQESA-N 313.622 5.032 30 10 DKEE CCCCCCCCC[C@@H](O)c1scc(Cl)c1Cl 2035090962 BFBCLMUFSRYPSM-GFCCVEGCSA-N 309.302 6.229 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(C)c(Br)c1 2040529564 LLXJTSASUFAKLR-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(Br)cc1C 2085916567 LCQFKZLPOXSEEC-MRXNPFEDSA-N 311.263 5.318 30 10 DKEE C=CCC[C@@H](NCCC)c1cccc(Cl)c1C(F)(F)F 2161403162 QRGZGDKMINYBQR-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE N#Cc1c(Cl)cccc1NC1CC[Si]2(CCCC2)CC1 2175911530 FQCSUIVVHMKTFZ-UHFFFAOYSA-N 304.897 5.029 30 10 DKEE C[C@](F)(CNc1ccc(C(F)(F)F)cc1Cl)C(F)(F)F 2191843427 OOHCQGGIGUKROG-VIFPVBQESA-N 323.639 5.061 30 10 DKEE CCSc1cccc(NCCCSC(C)(C)C)c1C#N 2193205085 WXPLWTRERKKXID-UHFFFAOYSA-N 308.516 5.004 30 10 DKEE CC#CCCCC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2194072442 MYYXXVKBHFGODR-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE CCCCCCCCN(C)[C@@H]1CCC[C@@H](P(C)(C)=O)C1 2195489428 VKGAIFIQDQGVFE-IAGOWNOFSA-N 301.455 5.213 30 10 DKEE CCC[C@H](C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)C 2203972269 CACUSDWIRJMOLW-LSDHHAIUSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCNCc1snc(Cl)c1Cl 2220085589 XGMJAKFXTLLYQY-UHFFFAOYSA-N 307.290 5.066 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1cc(Cl)sc1Cl 2223555767 DXNWUEDBEDMYRF-YGRLFVJLSA-N 306.302 5.178 30 10 DKEE CCCCCCCC[C@@H](C)NCCc1ccsc1Cl 2231932158 HUFYNMFZFRTWPF-CQSZACIVSA-N 301.927 5.673 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCC1)c1cc(Cl)ccc1Cl 2234053129 GJDXFMFPUIYCMH-CQSZACIVSA-N 310.224 5.140 30 10 DKEE C=C1CC(C[C@@H](Cc2cccc(Cl)c2Cl)NCCC)C1 2235756944 MXOAXZDJRYIODB-HNNXBMFYSA-N 312.284 5.260 30 10 DKEE CCCCCCCC[C@H](C)NCc1c(Cl)cccc1Cl 2240639859 JVSGIDSRYXISPB-AWEZNQCLSA-N 316.316 6.222 30 10 DKEE C=CCCCCC[C@H](N)c1sc(Cl)cc1Br 2244976481 SCDXEFAIDJILDC-JTQLQIEISA-N 322.699 5.300 30 10 DKEE C=CCCCCCCCSc1ccc([C@H](C)N)cc1Cl 2287080740 UXIYXPQWDPCPCW-AWEZNQCLSA-N 311.922 5.978 30 10 DKEE CCCOc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2295968010 UBHDEWKAQVSJAL-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE C=CCC(CC=C)SCC(=O)c1cc(Cl)ccc1Cl 2335242367 PVXYINZQHNLFLR-UHFFFAOYSA-N 315.265 5.430 30 10 DKEE CCCCCCCC[C@H](O)c1c(Cl)cc(F)cc1Cl 2335363436 AZGVBRVGDQWKAI-AWEZNQCLSA-N 307.236 5.917 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)c(F)cc1CNCCC 2337281700 UIWYMYUFXNQKOR-LLVKDONJSA-N 301.858 5.035 30 10 DKEE CCCCCCCC[C@@](C)(N)c1c(Cl)cc(F)cc1Cl 2360405532 GZTNTCLPLODCSB-MRXNPFEDSA-N 320.279 6.057 30 10 DKEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1CN[C@H](C)CC 2360731624 MPDVJNXGYIGRNB-ZIAGYGMSSA-N 311.922 5.593 30 10 DKEE CCCN[C@@H](C#CC1CCC1)c1cc2sc(C)cc2s1 2362610737 GYGOAVUYGWRAJH-AWEZNQCLSA-N 303.496 5.115 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cc(Cl)ccc1Cl 2370483041 QPICSZQAFFUKSA-IRXDYDNUSA-N 314.300 6.027 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2370541580 XJWIQOWKYVAKTD-SJORKVTESA-N 314.300 6.027 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(OCC#N)cc1 37200343 USSSTQSUKJJRSD-LLVKDONJSA-N 321.207 5.069 30 10 DKEE N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 37344536 IZLNHFWJLOFZNE-AWEZNQCLSA-N 324.594 5.137 30 10 DKEE Cc1ccc(C)c(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)c1 37346323 VXGGRGLPLHTIEY-OAHLLOKOSA-N 318.203 5.100 30 10 DKEE Cc1cc(C)c2nc(SCc3ccccc3C#N)cc(C)c2c1 40167316 NVWQBIVUGBHYFX-UHFFFAOYSA-N 318.445 5.324 30 10 DKEE CCCC(C#N)(CCC)C(=O)Nc1ccc(Cl)c(Cl)c1 44809971 JZGZQMCRLSHZAM-UHFFFAOYSA-N 313.228 5.042 30 10 DKEE Cc1ccccc1Cn1c(Cl)c(C#N)c2ccc(C)c(C)c21 71465647 PDLODBVUZIUUQM-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(Br)s1 114419520 VUFYTEUYXGAKPD-GFCCVEGCSA-N 318.324 5.651 30 10 DKEE CCCCCCCCC(=O)c1sc(C)cc1Br 115062344 UXUFHZSKFNVEGD-UHFFFAOYSA-N 317.292 5.752 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccc(C)cc1Br 234458872 ONGQQAYVLPPVIE-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CC(C)(C)c1ccc(O)c(N=C/C=C/c2cccc([N+](=O)[O-])c2)c1 254377914 KXPIBGVOQIDPKZ-TZLAGTBTSA-N 324.380 5.014 30 10 DKEE CCCCCCC[C@@H](N)c1c(Cl)cccc1Br 306031022 NUEZEELBMNMIOQ-CYBMUJFWSA-N 318.686 5.463 30 10 DKEE C=CCC[C@H](C)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 389782787 FLCVLDSWUKRQHP-AWEZNQCLSA-N 304.434 5.109 30 10 DKEE Cc1cccc(Br)c1Nc1cc(Cl)ccc1C#N 690329983 SMTPSTGVJIMSQI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC[C@H]1CCCCC[C@H]1Nc1ccc(C#N)cc1Br 691073672 IDUNIMUTSOIWAA-DZGCQCFKSA-N 321.262 5.092 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1ccc(Cl)cc1C(F)(F)F 695860179 SXBMUKKJDJZORN-VIFPVBQESA-N 304.743 5.099 30 10 DKEE CCC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 698361407 XVJGMJRYVMQSJQ-VQIMIIECSA-N 322.493 5.275 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@@H]1C 698380829 UROHMUJMXUQASG-YZVOILCLSA-N 322.493 5.131 30 10 DKEE CC[C@@H](C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698859150 YQGGEYINZNZNDB-WBVHZDCISA-N 322.493 5.275 30 10 DKEE Cc1cc(C#N)cnc1Oc1cc(Cl)c(Cl)cc1Cl 821918029 REVFZCZXODZRQX-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE CCCCCCCCCCCCc1ccc(N)c(C(=O)OC)c1 1857787315 FPOJUISLPMPFJQ-UHFFFAOYSA-N 319.489 5.519 30 10 DKEE C[C@](O)(CC#CC1CCCCC1)c1cc(Cl)sc1Cl 1919884840 BJPUHXHPNLBQCX-HNNXBMFYSA-N 317.281 5.236 30 10 DKEE CCCCCCCCC[C@]1(N)C[C@@H](C)N(Cc2ccccc2)C1 1920174083 GMORTUSZRLUEOG-CTNGQTDRSA-N 316.533 5.119 30 10 DKEE C=CC1(Cc2ccc(Br)c(Cl)c2F)CCC1 1980007119 UZBFUCXSLZNLSX-UHFFFAOYSA-N 303.602 5.140 30 10 DKEE C=CCCCCCCN(Cc1ccccc1)CC1CCCCC1 1995174812 AUZLLDZVXOJUTM-UHFFFAOYSA-N 313.529 6.205 30 10 DKEE CCc1ccc(C#N)c(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1 2015035958 OTXUOLCTJGJGQS-KRWDZBQOSA-N 320.480 5.562 30 10 DKEE CCCCC#CCn1ccc2c(OCc3ccccc3)cccc21 2024417282 SMRJKVHZWWXESO-UHFFFAOYSA-N 317.432 5.414 30 10 DKEE CCOc1c(C(F)(F)F)cc(C(F)F)cc1C(F)(F)F 2060220513 XIYXNSODULQMCI-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE CCc1ccc([C@@H](CC)n2nc(C(C)C)c(C#N)c2Cl)cc1 2079051035 XQHHFTCMBDXWKY-MRXNPFEDSA-N 315.848 5.093 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1F 2151939683 FKOQVSKUQDXUAY-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCC[C@@H](NCCC)c1csc(C(F)F)c1 2164298371 VELQGZZZTCDCHF-CQSZACIVSA-N 303.462 6.087 30 10 DKEE CCc1ccc(C#N)c(Nc2cc(Cl)c(C)c(Cl)c2)c1 2188848272 HPIJFCHKNYAAPC-UHFFFAOYSA-N 305.208 5.480 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)cc(Cl)c1Cl 2220133706 OTSFLBIPLCUZAE-UHFFFAOYSA-N 307.648 6.190 30 10 DKEE CCCCCCC[C@H](NN)c1cc(Cl)c(Cl)c(Cl)c1 2224305454 SFOOOUFVMCDYMB-ZDUSSCGKSA-N 323.695 5.512 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(Cl)cc1Br 2250160360 YBOYTXMUAXPECV-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE CCC[C@@H](CS)CSCC1(C)CC(C(F)(F)F)C1 2259111780 JIJFRJAMQCPWPF-UNXYVOJBSA-N 300.455 5.044 30 10 DKEE C=C([C@H](NCC)c1cc(Cl)c(Cl)cc1C)C(F)(F)F 2270984857 GONLPYVIBARANY-LBPRGKRZSA-N 312.162 5.071 30 10 DKEE C=CCCCSc1ccc(F)c(Cl)c1CNC1CCC1 2287182770 QXICDZOETQBCGR-UHFFFAOYSA-N 313.869 5.180 30 10 DKEE CCCCCCC[C@H](OCCCN)c1cc(C)c(Cl)s1 2294365670 CCCRKYCATVWMCN-AWEZNQCLSA-N 317.926 5.477 30 10 DKEE CCCCCCC[C@H](C)Nc1c(C)nsc1Br 2307226413 GBDBSDRWYZKIDH-JTQLQIEISA-N 319.312 5.375 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Cl 2323900431 LUPQZUSEPGONIN-UHFFFAOYSA-N 312.796 5.109 30 10 DKEE C=C(C)CCCC[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2341121331 HOIPILNXERKPOV-MRXNPFEDSA-N 300.273 5.390 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(Cl)c(Cl)c1 2344344013 RACNSPXKOKDIOB-HZPDHXFCSA-N 300.273 5.636 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)c(C(F)F)s1 2371319349 ZHKABLYEOXODQY-GFCCVEGCSA-N 323.880 6.350 30 10 DKEE O=C1/C(=C/c2cccc(C(F)(F)F)c2)Sc2ccccc21 33307701 MJQRIUFZXSKWDW-ZROIWOOFSA-N 306.308 5.035 30 10 DKEE CCCCCCCC[C@](C)(N)c1cccc(Br)c1 109706019 XGDYXDQMODJBMR-INIZCTEOSA-N 312.295 5.374 30 10 DKEE N#Cc1ccc(Nc2ccccc2SC(F)F)cc1Cl 110252037 VUMRBHRUALGXPB-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CCCCCCCCOCc1cc(CNCCC)sc1C 123150229 ACAXIPPMKZXQHK-UHFFFAOYSA-N 311.535 5.433 30 10 DKEE CCCCCCCCCCNCc1ccc(OC)c(Cl)c1 129290372 VFQBHFPTALZXAT-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(OC(F)(F)F)cc1 158004007 QUYMGXASVOTWAC-OAHLLOKOSA-N 303.368 5.206 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1scc(C)c1Cl 232927421 HOWHRLAFCZUIJC-OAHLLOKOSA-N 315.954 6.501 30 10 DKEE CCCCCCC[C@@H](CN)N(C)[C@H](C)c1ccccc1Cl 250831327 RGNVRUIEKJNYNG-CVEARBPZSA-N 310.913 5.021 30 10 DKEE Cc1cc(Oc2ccc(OCc3ccccc3)cc2)ccc1C#N 309978465 MSBWHENSJVTLIT-UHFFFAOYSA-N 315.372 5.238 30 10 DKEE CCCCCCC[C@H](CCOCc1ccccc1)NCCC 395576902 XGHCUXRZGPPMMG-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE N#Cc1ccc(CNc2cc(Cl)c(Cl)c(Cl)c2)cc1 404208496 SLODVESWZBPQTA-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CC(C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698854085 CSCWDFRNARAFBR-HNNXBMFYSA-N 322.836 5.020 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1c(Cl)cccc1Cl 704477645 GTIAOZWARFZNGE-QGZVFWFLSA-N 316.316 6.308 30 10 DKEE CC/C(=N\OCc1cc(Cl)ccc1F)c1ccc(C)cc1C 821219240 JKEPHHGDTPPNAG-DYTRJAOYSA-N 319.807 5.427 30 10 DKEE FC(F)(F)c1cccc(C#Cc2ccc(Cl)c(Cl)c2)c1 1614730526 CJKIVXXRFGDNQC-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCCCCC(=O)N(C)c1cccc(OC)c1 1866332347 QHPUZGUCCPJJDJ-UHFFFAOYSA-N 319.489 5.579 30 10 DKEE CCCCCCCCCC(=O)[C@@](C)(O)c1csc(Cl)c1 1919399603 QDEDGZOJAAPZCN-INIZCTEOSA-N 316.894 5.319 30 10 DKEE C=CCC(C)(C)OCc1cc(Cl)c(C)c(Br)c1 2014043163 QOFNMDPSGREAQG-UHFFFAOYSA-N 317.654 5.282 30 10 DKEE C=C([C@H](NCC)c1cc(C)ccc1Br)C(C)(C)C 2035417698 IPBBIKUINFVBPZ-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE C=C1CCC(C[C@@H](N)c2ccc(C)c(Br)c2C)CC1 2098444330 RARIJMQVDDYXNC-MRXNPFEDSA-N 322.290 5.202 30 10 DKEE C#CCCCCCC[C@@H](NCC)c1ccc(Br)cc1 2113422367 PAQJPYDAXZCKSK-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCCC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1F 2139412993 IRLWFXZAQQCYHQ-CYBMUJFWSA-N 304.236 5.530 30 10 DKEE Cc1cc2sc([C@@H](N)CC#CC3CCCCC3)cc2s1 2156531860 RKBLYLULACVVKQ-AWEZNQCLSA-N 303.496 5.245 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@](C)(O)c2ccc(Cl)s2)CC1 2157114724 XQCILZGUZGUZOP-HZPDHXFCSA-N 311.878 5.109 30 10 DKEE C#CCCCC[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2173454979 JCEVBXWTMLFNSH-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE C=CCCCCC(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2179680348 JNRWPIRQVHBSMJ-UHFFFAOYSA-N 306.711 5.168 30 10 DKEE C#CC[C@H](C)CC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2196824496 XASBFKPRADNQIX-LBPRGKRZSA-N 302.826 5.301 30 10 DKEE CCCCC#CC[C@@H](NCC)c1cscc1C(F)(F)F 2203809177 DDSDCRTUNPZUSB-CQSZACIVSA-N 303.393 5.001 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 2217612289 CFJULOORMHBQSB-QMMMGPOBSA-N 303.616 5.576 30 10 DKEE CCCCCCCC[C@@H](C)NCc1cc(C)c(Cl)s1 2231935009 NUJPPUFAEYRHQM-CQSZACIVSA-N 301.927 5.939 30 10 DKEE CS[C@@H]1CN(CCCCCCCCCS)C2(CCC2)C1 2234019467 JVEDKWKCJIZSET-INIZCTEOSA-N 315.592 5.007 30 10 DKEE C=CCCCCCCC[C@H](N)c1csc(C(F)(F)F)c1 2235537724 DSLNEXIGFGUQAQ-ZDUSSCGKSA-N 305.409 5.683 30 10 DKEE N[C@@H](CCCC(F)(F)C(F)(F)F)c1cc(C(F)F)cs1 2240461240 XTYQJUWCOJVVTD-ZETCQYMHSA-N 323.277 5.053 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ncc(Cl)cc1Cl 2271793106 ZUAUCULATRQYIN-CQSZACIVSA-N 301.261 5.176 30 10 DKEE C=C(C)C[C@@H](OCCCN)c1c(Cl)ccc(Cl)c1Cl 2277078625 MBNBOZCGMCRACS-GFCCVEGCSA-N 322.663 5.020 30 10 DKEE C=CCC[C@H](C)[C@H](OCCCN)c1cc(Cl)cc(Cl)c1 2293143086 VUKBHVGUQXARIH-LRDDRELGSA-N 316.272 5.002 30 10 DKEE Cc1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)c(C)c1 2293296202 QQQBDXWGBSVQJT-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1ccccc1C(F)(F)F 37938277 DCJBDQFNFOZOCO-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)s1 43640068 APDMSYWSHHFZNO-SNVBAGLBSA-N 324.232 5.107 30 10 DKEE CCCCCCCn1c(-c2ccc(OC)cc2)nc2ccccc21 50861331 RDKXKZORWOMGER-UHFFFAOYSA-N 322.452 5.682 30 10 DKEE Clc1ccc(/N=C2/NC3(CCCCC3)CS2)c(Cl)c1 53097584 YILQBJFQBCXXHY-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(Cl)cc2)c(C)c1Cl 83194228 GQCOUADGPMHZOM-RMKNXTFCSA-N 319.231 5.815 30 10 DKEE CCCCCCCCCC[C@H](CC)n1nnc2ccccc21 100001149 PJICFIYAVNEEIM-KRWDZBQOSA-N 301.478 5.913 30 10 DKEE CC[C@@H]1O[C@@H]1C[C@@H](C)c1ccc(OCc2ccccc2)cc1C 107616935 SABWAAOQPPUEAV-TYCQWZJGSA-N 310.437 5.245 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1 109330032 WMJKNTHRZLSXOA-UHFFFAOYSA-N 304.478 5.222 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(F)c(F)c(F)c1 109730191 AALNZZMOEBNRQE-MRXNPFEDSA-N 301.396 5.635 30 10 DKEE CCCCCCCCOc1cccc(-c2ccccc2)c1C#N 116746023 ANTNFDQYCXPIPL-UHFFFAOYSA-N 307.437 5.965 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1nc(C)c(C)s1 133058921 JTSUMSLFFFRPEB-QGZVFWFLSA-N 311.535 5.584 30 10 DKEE CCC[C@H](Nc1cccc(SC)c1C#N)c1cccs1 136640684 YQHZIVZWONQBGF-AWEZNQCLSA-N 302.468 5.295 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(Cl)c(Cl)c1 158904677 QUJYXYJGUDYJLP-MRXNPFEDSA-N 300.273 5.116 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(Br)cc1C 167708751 WXKULAQZEVJBPZ-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(C)c(Cl)s1 226674646 UYYPLKLHFKBBCS-AWEZNQCLSA-N 301.927 6.111 30 10 DKEE CCSc1cccc(Nc2cc(F)cc(Cl)c2)c1C#N 230016856 GSRIFTNKFSMWES-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)cc(Br)c1 232936743 SBUPLAOBMLFWMP-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE c1ccc(N=C2S/C(=N/C3CCCCC3)C3=C2CCCC3)cc1 263626963 HGLGOPBWVAFTHU-XVAYXDNSSA-N 324.493 6.065 30 10 DKEE CCCCCCC[C@H](N)c1ccc(F)c(Br)c1F 691627715 AVWLIFSANXNORV-LBPRGKRZSA-N 320.221 5.088 30 10 DKEE CCCCCCCNCc1cc(Cl)ccc1OC(F)F 703741773 ZHVPXDWFAGEWBL-UHFFFAOYSA-N 305.796 5.001 30 10 DKEE CCCCCCCN[C@H](C)c1cc(Br)ccc1F 703772061 RPBMBMLYJOBSTI-GFCCVEGCSA-N 316.258 5.209 30 10 DKEE CCCCCCCNc1nc(Cl)nc2sc(CC)cc12 703788575 XDWRUVYMVCFMRR-UHFFFAOYSA-N 311.882 5.289 30 10 DKEE CCCCCCCOC[C@H](NC)c1c(Cl)cccc1Cl 708946713 JLBNJEUUPWCZKZ-HNNXBMFYSA-N 318.288 5.241 30 10 DKEE CC/C(=N\OCc1cccc(C#N)c1)c1ccc(C(C)C)cc1 821218478 SSEZGWPNFBZNKD-LSDHQDQOSA-N 306.409 5.013 30 10 DKEE C=CCN(C(=O)c1cccc(C)c1)C1CCC(C(C)(C)C)CC1 1860017838 WPBVSKBPIPCHLF-UHFFFAOYSA-N 313.485 5.228 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1ccc(OCc2ccccc2)cc1 1903160365 HFSPTFKUBYHWJM-HXUWFJFHSA-N 309.453 5.128 30 10 DKEE CCCC[C@](C#N)(CC)Cc1ccc(Br)s1 1978659832 QFEDEMGYJSVHGO-CYBMUJFWSA-N 300.265 5.163 30 10 DKEE C=CCC[C@@H](NCC)c1cc(Cl)c(C)c(Br)c1 2002242018 JMGUMHXQXYUVIN-CQSZACIVSA-N 316.670 5.028 30 10 DKEE CC1=CCCC(C)(C)[C@@H]1C=CC(C)=NNc1nc2ccccc2[nH]1 2040452305 ZHCIRJWDYUBSEP-MRXNPFEDSA-N 322.456 5.289 30 10 DKEE CC(C)C(C(C)C)[C@](C)(C#N)Nc1ccccc1Br 2087311749 AIDULOLEIKIZTE-INIZCTEOSA-N 323.278 5.071 30 10 DKEE C#CC1CCC(N[C@@H](CC)c2ccc(Cl)cc2Cl)CC1 2153351722 DWNXWDBKIOTAQZ-AJUCZRQESA-N 310.268 5.226 30 10 DKEE CCCCCCCCC[C@@H](N)c1ncc(C(F)(F)F)s1 2156043094 HOYLCHDABCWFMR-LLVKDONJSA-N 308.413 5.302 30 10 DKEE CCCCCCCC[C@@H](NCC)c1csc(C(F)F)n1 2188705747 CGJMUVCRVBCSDS-GFCCVEGCSA-N 304.450 5.482 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Cl)cc(C(F)(F)F)c1 2200838059 XDIJGDRIZKEJPI-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCCSC[C@H](NCCC)c1c(Cl)cccc1Cl 2271595701 ATPCQSVVSMLACR-AWEZNQCLSA-N 318.313 5.343 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1csc(Cl)c1OC 2287410384 HEWUXIDQNRDHQQ-CQSZACIVSA-N 315.910 5.587 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)o1 2297309797 PCSSCBVFRNEZQW-UHFFFAOYSA-N 312.752 5.398 30 10 DKEE Cc1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1Cl 2297533032 DGZVMMSPAORNMM-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE C[C@H]1CC[C@H](CSc2c(Br)cccc2C#N)CC1 2313841406 AJTNBGYIHSLGOE-HAQNSBGRSA-N 324.287 5.239 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Br)c(C)c1 2321141112 MJWMMTXMBASCPC-JKSUJKDBSA-N 310.279 5.010 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1cccc2ccccc12 2322712011 VKYYJYQFCQVTCK-UHFFFAOYSA-N 316.400 5.525 30 10 DKEE CCC(=NOCc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 2330263190 MKCYRRRAUKOZNM-UHFFFAOYSA-N 313.416 5.454 30 10 DKEE C=CCC(CC=C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 2335114832 ZZHPTXOQNYXBQD-JTQLQIEISA-N 302.220 5.304 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(Cl)ccc1Cl 2344343555 OTKYDPCPPCHJED-HZPDHXFCSA-N 300.273 5.636 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2370483412 TYKOCGFVANTHSL-HZPDHXFCSA-N 318.263 5.776 30 10 DKEE Cc1cccc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)c1C 36931107 YVAPLIYAKBAFRQ-HNNXBMFYSA-N 318.203 5.100 30 10 DKEE N#C[C@H](C(=O)CCC1CCCCC1)c1c(F)cccc1Cl 37344755 RSTOJTLYYQPNIY-CYBMUJFWSA-N 307.796 5.016 30 10 DKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl 44268524 VSQWICCNOLMRAK-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE CCCCCCCCCCc1ccc(-c2ccc(O)cc2)cc1 59020144 BBHSUIZJYYOAND-UHFFFAOYSA-N 310.481 6.742 30 10 DKEE C=CCn1c(SCCCCC)nnc1-c1cccc(Cl)c1 59883172 KWLZBJZPFAMFMS-UHFFFAOYSA-N 321.877 5.067 30 10 DKEE CCCCCCCN[C@H](C)[C@H](O)c1ccc(SC(C)C)cc1 95851517 AMMMRCOMMBKDSH-APWZRJJASA-N 323.546 5.169 30 10 DKEE CCCCCCCCOc1ccccc1CNCC(C)(C)C 100048009 AERAXUOXUVQERZ-UHFFFAOYSA-N 305.506 5.562 30 10 DKEE CCCCCCC[C@@H](C)N[C@H](c1cccs1)C1CCCC1 109892534 MNFKNGGZZDOWLE-APWZRJJASA-N 307.547 6.318 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(Br)cc1C 125710866 ZAIRZVYROKKCIA-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE N#Cc1oc2ccccc2c1OCc1cc(Cl)ccc1Cl 126056369 UJVBLZBOPRQJTP-UHFFFAOYSA-N 318.159 5.190 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc2cccc(Cl)c2o1 130738625 HSVIQOQRQZPDMV-MRXNPFEDSA-N 307.865 6.227 30 10 DKEE CSc1cccc(Nc2ccc(C(F)(F)F)cc2)c1C#N 136608149 AQTNNHWIJSVZSU-UHFFFAOYSA-N 308.328 5.043 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H]1Cc2ccccc2S1 143406030 ICBIUQLEJASHFF-PKOBYXMFSA-N 305.531 5.562 30 10 DKEE Cc1cc(C#N)cc(Oc2cc(C(C)C)c(Cl)cc2C)n1 161161595 MVQANGIFYUUQJH-UHFFFAOYSA-N 300.789 5.139 30 10 DKEE CC(C)(C)c1ccc([C@@H](C#N)Nc2cccc(Cl)c2)s1 166123988 JCVDYHXMYIKMHE-CYBMUJFWSA-N 304.846 5.376 30 10 DKEE CCCCCC/C=C\CCCCCCCC(=O)N(CC)CC 205149391 LWKUKYPHCPQZRB-QXMHVHEDSA-N 309.538 6.112 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1cc(C)c(C)s1 229285611 ZKQSWOOLVVPZQS-GOSISDBHSA-N 310.547 6.709 30 10 DKEE Cc1cccc(C#N)c1Nc1ccc(Br)c(Cl)c1 232197113 IOKNUYTUTUKXST-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccc(Br)cc1C 234458194 NEBGGIWTKMEVFQ-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CN(C)c1ccc(N=Cc2sc3ccccc3c2Cl)cc1 254814569 GVNSKAJQUOPZFV-UHFFFAOYSA-N 314.841 5.371 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1CS[C@H](C)[C@@H](C)S1 300169474 NPVAXWNDDTZXGX-NCOADZHNSA-N 318.592 5.504 30 10 DKEE N#Cc1cc(NCC2CCCCCCC2)ccc1Br 690205767 ZQAYSLJAWUTEKM-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(F)cc(Br)c3)C[C@@H](C1)C2 697304490 MAHQJIIULIINNA-ODOQXGPZSA-N 324.237 5.135 30 10 DKEE CC[C@@H]1CCCC[C@@H]1[C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698419949 QSTNYBSSUJKZOR-NCOADZHNSA-N 322.493 5.131 30 10 DKEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698853922 BQJIMJAZRUUCCA-SFHVURJKSA-N 320.408 5.040 30 10 DKEE CC(=O)/C=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1082519265 NFUKXVYMEINBAK-IHWYPQMZSA-N 321.203 5.175 30 10 DKEE CCCCCCCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 1874052702 LNJRJYWJDMCQIN-SFHVURJKSA-N 317.517 5.465 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1 1894990699 GPPIPVGNEKXVSQ-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)[C@H]1CCCC[C@@H]1C#N 1915377182 FUUMNNHPJCKONK-QRQLOZEOSA-N 324.493 5.394 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@H](CS)C(C)(C)C)C(C)(C)C 1931998881 QREIMWBQXZRMNU-SJLPKXTDSA-N 321.574 5.515 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)[C@@H](C)C1CC1 1981287092 KOGSCQLQBHBONO-SFHVURJKSA-N 315.501 5.073 30 10 DKEE C=CCCCCCCCC[C@]1(O)CC[C@H]1OCc1ccccc1 1995326491 YQSLJBNZXDETEA-RTWAWAEBSA-N 316.485 5.404 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccccc1CNCC(C)C 2013173958 KUEFWTXOVVAMBH-UHFFFAOYSA-N 322.496 5.015 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(Br)cc1 2050513681 RKZREJLRIWHRGI-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1cc(C)c(C)cc1C 2070165713 URWWMMDNEGPGKX-QGZVFWFLSA-N 306.453 5.057 30 10 DKEE C=CCCCCCCn1ccc2c(Br)cccc21 2085839458 OFMKTAKLBZLEQH-UHFFFAOYSA-N 306.247 5.540 30 10 DKEE C[C@H]1CC([C@@H](C#N)c2ccc(Br)cc2F)C[C@H](C)C1 2141242529 PXUOIBPRATXDGX-UEKVPHQBSA-N 324.237 5.268 30 10 DKEE C=CCCCCCC[C@H](NCC)c1scc(Cl)c1Cl 2141921166 ZVDALSREFJHHDI-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE CC[C@H]1CC[C@](C#N)(Cc2csc(-c3ccsc3)n2)C1 2144694262 GIXIHCXCMJMOMD-BLLLJJGKSA-N 302.468 5.134 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(SC(F)(F)F)cc1 2182511345 GYBOJBNPXOFIJU-ZDUSSCGKSA-N 307.356 5.213 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ncc(Cl)cc1Cl 2207440234 YJDVAVPSLISVTI-HNNXBMFYSA-N 315.288 5.695 30 10 DKEE C=C(CC)C[C@@H](NCC)c1sc(C)c(Br)c1C 2213744794 MZVVKDBWVBIAEO-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=CCCCCC[C@H](N)c1sc(C)c(C)c1Br 2215908283 FHZJBHABVFTWIE-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1cc(Cl)sc1Cl 2223557354 LHNUIRVVFZMIFO-MNOVXSKESA-N 306.302 5.178 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2229495972 DFKLQFAGWNAYRT-MRXNPFEDSA-N 303.273 5.952 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(F)c(Cl)c(F)c1 2240622482 UGMJEKOXOZCLKO-INIZCTEOSA-N 304.808 5.576 30 10 DKEE C=C(C)CCCC[C@H](N)c1sc(C)c(Br)c1C 2250168287 ZRKFSHDVOFZXBS-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE Cc1cc(Br)ccc1SC[C@H](C#N)C1CCCC1 2256883317 VBBAFZWBYRYWHX-ZDUSSCGKSA-N 324.287 5.180 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1cc(Cl)sc1Cl 2274069288 FAVXALGYJSIVBF-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE C=CCCCCCCCC(=O)c1nc(C(C)(F)F)cs1 2296058062 ADSCZQZUGNQSBX-UHFFFAOYSA-N 301.402 5.354 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCC)c1cccc(Cl)c1Cl 2335095474 BNTBWAZZOBGTGQ-BXUZGUMPSA-N 318.313 5.342 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1c(Cl)cccc1Cl 2364090407 VTQIMBHKWNBIJL-QGZVFWFLSA-N 312.284 5.803 30 10 DKEE CCCCCCC[C@@](C)(OCCCN)C1(Cl)CCCC1 2366309353 WGGAQUJSBCLTDV-MRXNPFEDSA-N 303.918 5.023 30 10 DKEE Clc1ccccc1/N=C(/c1ccccc1)N1CCCCCC1 54473207 KIDMNTAXMRIQLQ-VZCXRCSSSA-N 312.844 5.294 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(C)c(Cl)cc1C 115857372 XEQWEAWRLFBGRT-LJQANCHMSA-N 309.925 6.358 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cc2ccccc2s1 126444890 ABHJAOWKNHQYRZ-LLVKDONJSA-N 312.825 5.599 30 10 DKEE CCCCCCCCCCN[C@H]1CCC[C@@H](C(F)(F)F)C1 129227721 CWVSURFWEOLKBZ-CVEARBPZSA-N 307.444 5.838 30 10 DKEE CCC[C@@H](Nc1cccc(SC)c1C#N)c1cccs1 136640714 YQHZIVZWONQBGF-CQSZACIVSA-N 302.468 5.295 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1snnc1CCC 139419165 XFEDTADYARNKQO-OAHLLOKOSA-N 311.539 5.282 30 10 DKEE CCCCCCCC[C@@H](O)c1cccc(F)c1Br 168340854 NBFKKBHLILNAKM-CQSZACIVSA-N 317.242 5.372 30 10 DKEE CCCCCCCCNc1nc(Cl)nc2sc(C)cc12 232947021 FDIHTZAREKRIEZ-UHFFFAOYSA-N 311.882 5.426 30 10 DKEE C=C1[C@@H](/C=C/c2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O 257530879 RHCBUXSXDFNUAG-JKUWUFGZSA-N 300.442 5.062 30 10 DKEE biogenic CC(C)(C)C1CCC(C#N)(c2ncc(Cl)cc2Cl)CC1 312367453 CDLGAHDVVGJCRP-UHFFFAOYSA-N 311.256 5.386 30 10 DKEE CCCCCCCCCC(=O)Cc1ccc(Br)o1 393567325 LFATXFFJISSQEU-UHFFFAOYSA-N 315.251 5.294 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H](C)OCc1ccccc1 404373696 XLTRDBYYNZKSFY-AZUAARDMSA-N 305.506 5.320 30 10 DKEE C/C=C\C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575242887 MIWBJRNEOOPVPD-MBXJOHMKSA-N 313.400 5.915 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC12CCCCC2 694434390 NRGCRFHYCNUTGG-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1c(Cl)cccc1C(F)(F)F 715722236 QMQYCNWWOUXRDV-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CCCCCOc1ccc(C#Cc2ccc(SC)cc2)cc1 1615840414 ISYJUZKFNACZLB-UHFFFAOYSA-N 310.462 5.377 30 10 DKEE C=CCN(CC=C)C(=O)C[C@H](c1ccc(C(C)C)cc1)C(C)C 1867936195 SAPLHURLRSSNEQ-FQEVSTJZSA-N 313.485 5.140 30 10 DKEE CCOc1ccc(Cl)cc1/C=C/C(=O)c1cc(C)ccc1C 1874580167 ADFKWZDHCQQVAK-VQHVLOKHSA-N 314.812 5.252 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1cc(Cl)c(Cl)s1)C1CC1 1887463057 DHSICFGGJAPPMK-DGCLKSJQSA-N 316.297 5.145 30 10 DKEE C=CCC1(NCc2c(Cl)ccc(Cl)c2Cl)CCC1 1913958442 QYMNHPAMPNGYHS-UHFFFAOYSA-N 304.648 5.235 30 10 DKEE CCCCCCCCCN(C)[C@@H]1CC[C@H]1OCc1ccccc1 1990780127 YKUKAHICLSLJTI-NHCUHLMSSA-N 317.517 5.417 30 10 DKEE CCC(=CC(=O)c1c(Cl)ccc(Br)c1F)CC 2008970262 XVOUWBXPCRTBQD-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCCC[C@H]2C)c1Br 2027611310 PWQPUHSMOOVQBW-CZUORRHYSA-N 306.247 5.020 30 10 DKEE CC[C@H](Nc1ccc(Br)c(C#N)c1)C1CCCCC1 2102280003 LKVULHHRMJVFET-INIZCTEOSA-N 321.262 5.092 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C=O)CCCCC12CC2 2117056429 VOJDDQATOYDAQB-GUYCJALGSA-N 321.258 5.092 30 10 DKEE CNc1cccc(C#Cc2c(Cl)cc(Cl)cc2Cl)c1 2122766962 MZRXXLIFBOCDAP-UHFFFAOYSA-N 310.611 5.088 30 10 DKEE C=CCCCCCCCCNCc1ccc(Br)cc1 2142453944 WESKJAQJHFQKTM-UHFFFAOYSA-N 324.306 5.455 30 10 DKEE SC[C@H](COc1ccc(Cl)c2ccccc12)C1CCC1 2145983473 VQAWBPQJFUUMSX-ZDUSSCGKSA-N 306.858 5.218 30 10 DKEE C=CCC[C@@H](C)Oc1c(Cl)cc(Cl)cc1C[C@@H](N)CC 2158325640 YCCBWSWUPAWHPV-RISCZKNCSA-N 316.272 5.007 30 10 DKEE CCCCCCCCCCC(=O)c1c(Cl)cncc1Cl 2163962465 BODYZJRUKGJHEO-UHFFFAOYSA-N 316.272 6.102 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)sc2Cl)CCCc2ccccc21 2195413584 KTWCBJRERDEQLW-INIZCTEOSA-N 322.260 5.395 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1cc(Cl)c(F)c(Cl)c1F 2200734956 YMNPYRLECVXPTD-SCZZXKLOSA-N 319.182 5.156 30 10 DKEE CCCCCCCCCCCCCCOCCC1OCCO1 2231021163 FQKGWXNDWWUBBZ-UHFFFAOYSA-N 314.510 5.467 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cocc1Br 2258146470 SZHRZRZUCMGXSS-OAHLLOKOSA-N 314.267 5.219 30 10 DKEE C=CCCCCCCCSc1nc2ccc(Cl)nc2[nH]1 2287073193 RWFLRQWWZSDPPH-UHFFFAOYSA-N 309.866 5.230 30 10 DKEE O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 2293021206 YHFXVZDDZVJFAN-UHFFFAOYSA-N 318.803 5.903 30 10 DKEE C=CCCCSC[C@H](N)c1ccc(Cl)c(C)c1Cl 2327922834 KBVYHYOPIMAGPE-ZDUSSCGKSA-N 304.286 5.001 30 10 DKEE C=C([C@@H](NCCC)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2377334629 KWAJKOLGGBLRSP-OAHLLOKOSA-N 318.263 5.776 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1cc(F)c(Cl)cc1Cl)NC 2377410721 APPIMBPEBOJGKP-HZPDHXFCSA-N 318.263 5.255 30 10 DKEE C#Cc1cccc(NCc2c(Cl)ccc(Cl)c2Cl)c1 37185201 IMHWXPJAXYAFCT-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)CC1 91880638 OTSDYNNQRQBJBG-CQSZACIVSA-N 312.240 5.137 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(O[C@H](C)CC)cc1 100048376 YGIVYYRRJNCYFX-QZTJIDSGSA-N 305.506 5.875 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)cc1[C@H](C)O 110369703 PHYRWSRIKUARIJ-HNNXBMFYSA-N 312.881 5.913 30 10 DKEE CCCCCCCOc1cc(Br)ccc1Cl 113973674 QBBBGONMMYYDFH-UHFFFAOYSA-N 305.643 5.452 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(F)c(Cl)cc1Cl 115650288 UISWQOIULHJAGN-INIZCTEOSA-N 321.263 6.091 30 10 DKEE CCCCCCCCC[C@@H](O)c1sccc1Br 128485015 UCGXUGHSCIKKOC-CYBMUJFWSA-N 319.308 5.685 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@@]1(C)CCCS1 135570777 WIWWQFNBTUFHNQ-QZTJIDSGSA-N 300.552 5.944 30 10 DKEE CCCCCCC[C@@H](N)Cc1nc(-c2ccccc2)cs1 229768124 IRTRQQHMYIZMSN-MRXNPFEDSA-N 302.487 5.040 30 10 DKEE Cc1cc(C2(C#N)CCCC2)cc(F)c1OCc1ccccc1 260285272 AFJCVKHABKAJAI-UHFFFAOYSA-N 309.384 5.049 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)cc(Cl)c1 312204182 JFBHLQWGSJNWBB-INIZCTEOSA-N 312.284 5.474 30 10 DKEE C=CCCC[C@H](NCCC)c1cccc(OCc2ccccc2)c1 382838226 GXFHLTGSPYPYBA-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE CCCCCCCCNc1c([N+](=O)[O-])ccc(Cl)c1F 383305768 DSJPWYJXVTUUMQ-UHFFFAOYSA-N 302.777 5.160 30 10 DKEE N#CCc1cc(-c2cc(Cl)c(Cl)cc2Cl)cs1 514262506 BQAAIWANJZGLDN-UHFFFAOYSA-N 302.613 5.441 30 10 DKEE SCC1(CSc2nc3cnccc3s2)CCCCCC1 703012969 YFAPJDKPQHNOKB-UHFFFAOYSA-N 324.540 5.054 30 10 DKEE CCCCCCCC[C@H](NCC)c1snc(OC)c1Cl 708347382 SORCHHOLZATVIL-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1cscc1Cl 710371340 LHNGSPJJRSMPQH-MRXNPFEDSA-N 316.942 5.827 30 10 DKEE C=C1CCC(CNc2cc(Cl)cc(C(F)(F)F)c2)CC1 724566059 KBKVQNJMKZXQFS-UHFFFAOYSA-N 303.755 5.517 30 10 DKEE Cc1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1Cl 1084389315 KWBUCWKETJSNBV-UHFFFAOYSA-N 313.615 5.401 30 10 DKEE Cc1cccc(C)c1C#Cc1ccc(Cl)cc1Br 1614826589 DJUPXZDSCAVCJH-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CCCCCCCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 1859454476 XAAGRNQLKBBRIE-KRWDZBQOSA-N 319.489 5.054 30 10 DKEE CCCCCCCCCOc1cccc(NC(=O)CC(C)C)c1 1860091566 RUQGPGNMKOZOFB-UHFFFAOYSA-N 319.489 5.801 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 2040457951 RZQRXGYIUWQGOD-UHFFFAOYSA-N 317.171 5.636 30 10 DKEE N#C[C@]1(Cc2sccc2Br)CCCCC12CCC2 2053366918 MVIONEORKGGUPN-OAHLLOKOSA-N 324.287 5.307 30 10 DKEE C=CCCCCCCn1ccc2cccc(Br)c21 2085841609 JHEKEOMJFVYKPA-UHFFFAOYSA-N 306.247 5.540 30 10 DKEE CC(C)C(C(C)C)[C@H](C)Nc1cc(Br)ccc1C#N 2087327842 PYKKAIGUDMMDMP-LBPRGKRZSA-N 323.278 5.049 30 10 DKEE CC[C@@H]1CCC[C@H](Nc2cc(Br)cc(C#N)c2)CC1 2103205029 HIZFOQKYTNWQIE-DOMZBBRYSA-N 321.262 5.092 30 10 DKEE C=C(CC)C[C@H](COc1ccc(Cl)cc1Cl)NCCC 2152448127 XHMIPFUGTJXYHG-CQSZACIVSA-N 316.272 5.097 30 10 DKEE N#C[C@H](Sc1ccc(Cl)cc1)[C@@H]1CCC2(CCCC2)C1 2155224879 QSQYKQLASWHVTF-CJNGLKHVSA-N 305.874 5.685 30 10 DKEE CCCCCCCCC[C@]1(N)CCC[C@@H](P(C)(C)=O)C1 2160806903 RJJWDPPJRPAQHW-SJORKVTESA-N 301.455 5.390 30 10 DKEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1ccc(Cl)cc1Cl 2164479364 GHIFPTYJOWMRTM-HZPDHXFCSA-N 314.256 5.311 30 10 DKEE C=CCCCC[C@@H](O)c1ccc(OC(F)(F)F)c(Cl)c1 2179702805 GFXZGGDYYRTEBX-GFCCVEGCSA-N 308.727 5.018 30 10 DKEE Cc1cc(OCc2ccc(C#N)cc2Cl)c(C)cc1Cl 2193342658 PSVNDRMELZVWLV-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C=CCCCCCCCCCNc1c(Cl)cccc1Cl 2207415569 SSMZUCPFSKDGFV-UHFFFAOYSA-N 314.300 6.712 30 10 DKEE C=C([C@@H](NCC)c1scc(Br)c1C)C(C)(C)C 2213775812 VSOUPQIWUYSEHF-GFCCVEGCSA-N 316.308 5.072 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ncc(C(F)(F)F)s1 2235535980 RXOFGPJCCQHOBH-LLVKDONJSA-N 306.397 5.078 30 10 DKEE Cc1cc(Cl)cc([C@H](C)Nc2ccc(C#N)c(Cl)c2)c1 2237994892 JJDCTUNWSIQWHL-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCCCOC(=O)c1cc(Cl)nc(Cl)c1 2239504472 UBJGGEAWCAKIJW-UHFFFAOYSA-N 318.244 5.296 30 10 DKEE N#Cc1cc(Cl)ccc1SCCCCCCCC1CC1 2239553393 YSBQBTZMRVKIQC-UHFFFAOYSA-N 307.890 6.054 30 10 DKEE CCc1ccc(C#N)c(OCc2ccc(Cl)cc2Cl)c1 2239748778 NTGWDOPWTNVFGS-UHFFFAOYSA-N 306.192 5.006 30 10 DKEE C=CCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243563335 CGDINOWAZSBHAY-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@H](C)NCC)c(C)c1 2248948284 BRKMLENRDGLCAT-IBGZPJMESA-N 322.496 5.248 30 10 DKEE CC(C)c1cccc(Oc2c(Br)cccc2C#N)c1 2269722416 HONGMILIZJVQNT-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE C=CCCCSC[C@@H](NC)c1c(Cl)ccc(F)c1Cl 2271503493 SBOKOFWHSVORRB-GFCCVEGCSA-N 322.276 5.092 30 10 DKEE CCCCCCCCCOc1cc(Cl)sc1CNC 2272658952 QBZKIROMWMGSQN-UHFFFAOYSA-N 303.899 5.250 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(N)c1cc(Cl)ccc1Cl 2284108037 RWAHLLLJWNRQFQ-KRWDZBQOSA-N 310.268 5.163 30 10 DKEE C#C[C@@H](c1ccc(-c2cccs2)s1)N1CCCCCC1 2285984911 BURWZJOCYSNCBC-AWEZNQCLSA-N 301.480 5.027 30 10 DKEE C=CCCCCCCCSC[C@@](O)(CCC)C(F)(F)F 2287097047 ROPRHGKZJQWIIF-AWEZNQCLSA-N 312.441 5.340 30 10 DKEE CC1(CS[C@@H]2CCCCC[C@H]2C#N)CC(C(F)(F)F)C1 2287331713 IEFKURGELZBRLP-RJZJGCCBSA-N 305.409 5.171 30 10 DKEE C=CCCCC[C@H](OCCCN)c1cc2cscc2s1 2293295392 RSFJJBDEROMDMC-AWEZNQCLSA-N 309.500 5.116 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](N)c1cc2sccc2s1 2295517201 KNESAWIVKMNOPJ-WBMJQRKESA-N 311.516 5.074 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccc(C(F)(F)F)cc2)cc1C 2296876319 LKPILFUJSCUPNT-UHFFFAOYSA-N 319.326 5.131 30 10 DKEE CCCCCCC[C@H]1CCC(=Cc2ccc(SC)cc2)C1=O 2297563098 XHUOHCWQWJSYPL-KRWDZBQOSA-N 316.510 6.132 30 10 DKEE O=C(C=Cc1c2ccccc2cc2ccccc12)c1ccccc1 2313506018 HTNKWVPCJOMMPQ-UHFFFAOYSA-N 308.380 5.889 30 10 DKEE C=C(Br)CNC(C1CCCCC1)C1CCCCC1 2316367205 LTIGGBGUPXFGAP-UHFFFAOYSA-N 314.311 5.014 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccccc2Br)C1 2318748223 KUBRZLUZLITEPH-XUJVJEKNSA-N 324.287 5.011 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2321103412 ZHQSMJJSUCFTID-LKFCYVNXSA-N 306.664 5.510 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cc(Cl)c(Cl)cc1Cl 2321113355 OAXCAADADSFKOP-ZIAGYGMSSA-N 306.664 5.639 30 10 DKEE Cc1ccc(C(=NOCc2ccc(Cl)cc2F)C2CC2)cc1 2330296735 MNAZGAOAUGLYNL-UHFFFAOYSA-N 317.791 5.118 30 10 DKEE C=CCCCCC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2341109242 CIYNGRFEWQZNDV-INIZCTEOSA-N 300.273 5.390 30 10 DKEE CCN[C@H](C#CC1CCCC1)c1ccc(Cl)c(Cl)c1C 2364397099 IESDWCKFWBWHKV-MRXNPFEDSA-N 310.268 5.146 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1c(Cl)ccc(Cl)c1F 2370481482 FAIDCXZFSILKEI-OAHLLOKOSA-N 318.263 5.776 30 10 DKEE Cl/C(=N/N(c1ccccc1)c1ccccc1)c1ccccc1 33906918 QSQWWWNUCMCDCW-XUTLUUPISA-N 306.796 5.425 30 10 DKEE CCCCCCCCNc1cccc(Cl)c1-n1ccnc1 59419362 UMZXGNUUXKYZPA-UHFFFAOYSA-N 305.853 5.298 30 10 DKEE CCSc1ccc(C)cc1C(=O)/C=C/c1ccc(OC)cc1 83193173 QFTKFROKJKIKOH-DHZHZOJOSA-N 312.434 5.012 30 10 DKEE CCCCCCCCCCCCCCCCNCc1ccco1 100023252 ZDVMJFQIGSNVBJ-UHFFFAOYSA-N 321.549 6.851 30 10 DKEE CCCCCCCCCCCCCCC[C@H]1CCC[C@@H](N)C1 100306313 PFHBAWRUQBDPAQ-LEWJYISDSA-N 309.582 6.985 30 10 DKEE CCCCCCCCCn1c([C@@H]2CCCO2)nc2ccccc21 102192943 ZXHHMWPCDBKJBZ-IBGZPJMESA-N 314.473 5.638 30 10 DKEE CCOc1ccc(C(=O)/C=C\Nc2ccc(C(C)C)cc2)cc1 103030089 FNBQUHUUHSRNEV-YPKPFQOOSA-N 309.409 5.017 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1 115856471 FAWHODZPDQZLRF-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1cc(C)c(C)s1 157785395 KUOWHGOVWMCDAF-SFHVURJKSA-N 309.563 6.546 30 10 DKEE Cc1ccc(C)c(Oc2ccc(Br)cc2C#N)c1C 229180063 WGFWTZCDSYLULT-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccoc1Br 232960544 FHOBMIRDJVCHFI-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE Cc1cc(Br)c(Cl)cc1Nc1cccc(C#N)c1 697696205 HBVAZOZOPKPYTL-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccccc1CO/N=C(/c1ccc2c(c1)CCCC2)C1CC1 821228945 DLQWJQMQCKEPKW-GHVJWSGMSA-N 319.448 5.205 30 10 DKEE N#C[C@@H](CN(Cc1ccccc1)Cc1cccs1)C1CCCC1 1915378861 QLIOQZHGIQZWEV-IBGZPJMESA-N 324.493 5.080 30 10 DKEE C=C(C(C)(C)C)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1919647434 JAZIJRAMUUHVJJ-OAQYLSRUSA-N 310.437 5.075 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(C)c(C)c1 1922055150 OXQKOWBTOZHTTE-QFIPXVFZSA-N 323.480 5.117 30 10 DKEE CC[C@@H](CS)CN(Cc1ccccc1)CC1CCCCC1 1931882654 WIVQJTBZJHROPN-QGZVFWFLSA-N 305.531 5.025 30 10 DKEE C[C@H](CCS)CCN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1931999216 WFJHURKQNYBWLL-IRXDYDNUSA-N 307.547 5.269 30 10 DKEE CC(C)C(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1938413639 ANZTZCWQAWYVKU-INIZCTEOSA-N 316.445 5.002 30 10 DKEE CCCCCCCN(Cc1ccccc1)[C@@H](C)c1cccs1 1961649014 RJQIMJPRZVSHSY-SFHVURJKSA-N 315.526 6.282 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@](C)(C#N)C1(C)CCCCC1 1975572526 DDGHFPMEJSVRCW-LJQANCHMSA-N 322.493 5.132 30 10 DKEE CCCCCCCCCCN(CCN(C)C)Cc1ccccc1 1990793258 FEMVHUOOPQPHLO-UHFFFAOYSA-N 318.549 5.191 30 10 DKEE Cc1sc(C(=O)C2=CCC(C)(C)CC2)cc1Br 2010779598 QGPXMMKJFCLBNS-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CCN(Cc1ccccc1)c1cccc(C)c1CNC(C)(C)C 2020028659 SZUQQUPIASASBX-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C(=Cc1ccccc1)C=NN(Cc1ccccc1)c1ccccc1 2040448331 OHYTVNQRPCPPCG-UHFFFAOYSA-N 312.416 5.392 30 10 DKEE C=CCC[C@H](N)c1ccc(-c2ccccc2Br)s1 2045622833 NSXNASNLEFUZAR-ZDUSSCGKSA-N 322.271 5.144 30 10 DKEE C=C[C@H](NCC)c1ccc(-c2ccccc2Br)s1 2045710428 RSBKQBHLSPWOEF-ZDUSSCGKSA-N 322.271 5.014 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cccc(C)c2Br)C1 2087884049 AWQJSRPSWGHKOF-WMLDXEAASA-N 320.274 5.410 30 10 DKEE C=C[C@H](C)C[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2116655157 BCNUTQSAMMXFGP-SWLSCSKDSA-N 300.273 5.116 30 10 DKEE CC[C@H]1CC[C@@](C#N)(Cc2csc(-c3cccs3)n2)C1 2144694555 KMLWCMXUEBKSSS-LRDDRELGSA-N 302.468 5.134 30 10 DKEE CN(CCCCCCCCCS)C[C@H]1CCC(F)(F)C1 2163778825 GUCREJQAUHJBRR-HNNXBMFYSA-N 307.494 5.014 30 10 DKEE C=C(C)[C@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2164213896 BNKRZUPYXSGNGH-KRWDZBQOSA-N 305.874 5.685 30 10 DKEE C#CC[C@@H](C)C[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2196719192 LMZBGAIRFPSPHS-IUODEOHRSA-N 304.842 5.151 30 10 DKEE CN(CCCCC(C)(F)F)CC1(CS)CCCCCC1 2201593703 BRQKIKPPAQZXPC-UHFFFAOYSA-N 307.494 5.014 30 10 DKEE CCCCCCCCC[C@H](O)c1c(C)ccc(Cl)c1F 2201692692 ANPDQXMGAVRVRO-HNNXBMFYSA-N 300.845 5.962 30 10 DKEE C#C[C@@H](N[C@@H](C)c1cc(Cl)ccc1Cl)C1CCCCC1 2203804638 ZLXQDNBPZLXBFK-YVEFUNNKSA-N 310.268 5.226 30 10 DKEE C=C(C)CN(CCCCCCN[C@@H](C)CC)Cc1ccccc1 2212264681 CILSPYJZMHQSQC-FQEVSTJZSA-N 316.533 5.013 30 10 DKEE CCCN[C@H](C#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2218427550 NEDBDEHAXWLBFI-LLVKDONJSA-N 304.286 5.145 30 10 DKEE C=CCCCCCCCN[C@@H](C)c1ccccc1Br 2227274784 VSFKQRKDRKXMOS-HNNXBMFYSA-N 324.306 5.626 30 10 DKEE CC(C)(C)[C@H](CS)CSCCCCCCCC1CC1 2230872728 JLNNHIIKBHTOBO-MRXNPFEDSA-N 302.593 6.062 30 10 DKEE Cc1csc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1C 2234255730 IXNRLFJXOZGELE-LLVKDONJSA-N 324.232 5.162 30 10 DKEE CCC[C@@H](C(=O)[C@H](C#N)c1cccc(Cl)c1Cl)C(C)C 2235752784 DLTOITWKHYPRSX-DGCLKSJQSA-N 312.240 5.242 30 10 DKEE CC#CC[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265970312 ZMSQFHMIBFVVAH-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1sccc1Cl 2276152345 JOTAVZKATKKBGE-CQSZACIVSA-N 303.899 5.169 30 10 DKEE C(=Cc1ccccc1)C=Nc1ccccc1-c1nc2ccccc2[nH]1 2295914084 NPMDEOOWCOJMPR-UHFFFAOYSA-N 323.399 5.646 30 10 DKEE C=CCC[C@@H](C)Oc1c(Cl)cc(C[C@@H](N)CC)cc1Cl 2296271450 FSUSDRWOBGLOPY-YPMHNXCESA-N 316.272 5.007 30 10 DKEE CCCC(CS)(CCC)CSC[C@H]1CC[C@H](C)CC1 2335257954 BWAHJBPVQCJPIP-WKILWMFISA-N 302.593 6.062 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(OC)c(Cl)s1 2340257001 YMTFMPHVVULGPY-LBPRGKRZSA-N 303.899 5.421 30 10 DKEE C=CC(C)(C)CCN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353049282 AYIHJVGWXXLORG-LBPRGKRZSA-N 300.273 5.555 30 10 DKEE CCCN[C@@H](C#Cc1cccs1)c1cccc(Cl)c1Cl 2363537167 OMGOPYVAULPEJK-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE Cc1c([C@H](O)C2(C#N)CCC(C)CC2)ccc(Cl)c1Cl 2366011513 DACPLPITVUFSFA-NWWFGRIYSA-N 312.240 5.055 30 10 DKEE C#CC(C)(C)C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366413816 ZCTHOFFRZCVGRM-CQSZACIVSA-N 316.247 5.223 30 10 DKEE Cc1ccccc1N[C@H](C#N)c1cc(F)c(Cl)cc1Cl 2377417597 LQSLDAYKVYNAFS-OAHLLOKOSA-N 309.171 5.118 30 10 DKEE Clc1ccc(/C=N/c2ccccc2Cc2ccccc2)cc1 3216178 GDHNQCMWBGSWPJ-PXLXIMEGSA-N 305.808 5.681 30 10 DKEE CCN(CC)c1ccc(/C=N/Nc2ccc3ccccc3c2)cc1 5250236 KVLRJTMCGCNSIX-CJLVFECKSA-N 317.436 5.132 30 10 DKEE C=CCNCc1c(OCc2ccc(C)cc2)ccc2ccccc12 20874202 RCOIOAZEJAHFHD-UHFFFAOYSA-N 317.432 5.003 30 10 DKEE O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CC[C@@H]2CCCC[C@H]12 97402200 BXTGKOZOKNKUSL-LTAYOLPUSA-N 308.343 5.258 30 10 DKEE CCCCCCCOc1ccc(C(=O)Oc2ccccc2)cc1 100219455 PYEADPGTJXNRFA-UHFFFAOYSA-N 312.409 5.255 30 10 DKEE CCCCCCCCc1c(C)nn(C(=O)CCCCC)c1C 100458946 GIZLSKHGCDRYQG-UHFFFAOYSA-N 306.494 5.623 30 10 DKEE Cc1ccc(Oc2ccc(C#N)c(Cl)c2)c(Br)c1 110261537 MWHGYQIEYSXTOS-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCC(=O)[C@H](C#N)c1ccccc1Cl 115858140 HRBVJQSAUVPBFN-MRXNPFEDSA-N 305.849 5.657 30 10 DKEE CCCCCCCCC[C@H](O)[C@H]1SCCS[C@H]1CC 135734905 GLDZJWNCOSWNIN-HRCADAONSA-N 304.565 5.115 30 10 DKEE CCCCCCCCOc1ccc(-c2ccc(C)cc2)cc1F 143177659 USUYCTSMEVCYPL-UHFFFAOYSA-N 314.444 6.540 30 10 DKEE N#C[C@H](C(=O)C1CCCCCCC1)c1cccc(Cl)c1F 212210066 CTHVNRCPKZXHOH-AWEZNQCLSA-N 307.796 5.016 30 10 DKEE CCCCCCC[C@@H](Cc1cccc(Cl)c1Cl)NC 228975163 HZJMGKIAHMWTQK-AWEZNQCLSA-N 302.289 5.484 30 10 DKEE Cc1cc(Cl)ccc1Oc1ccc(Br)cc1C#N 229179642 SINHIYPBMNPRGH-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC1(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CCCCC1 232827745 LYSUQDKWTHSEMP-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE COc1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 252462641 UZHJNCXBIFZONK-UHFFFAOYSA-N 302.377 5.189 30 10 DKEE Cc1nc(Oc2cc(Cl)ccc2Cl)c(Cl)cc1C#N 311728604 QQOHXPWNQYGICL-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE SCCCCCCCCCN(Cc1ccccc1)C1CC1 384432109 SONAVAXJXLAFFO-UHFFFAOYSA-N 305.531 5.312 30 10 DKEE N#Cc1cc(F)cc(Nc2cc(Cl)c(Cl)c(Cl)c2)c1 404282269 WAPNXWJMVWIUKH-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCNc1cc(Cl)c(Br)cc1C 697708243 YREVDCKOXAGMAT-UHFFFAOYSA-N 316.670 5.569 30 10 DKEE C[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698869124 RNUGIRLRJODGBD-KXBFYZLASA-N 320.477 5.029 30 10 DKEE FC(F)(F)c1ccc(C#Cc2cc(Cl)ccc2Cl)cc1 725381580 XQKYVEZZAFFKED-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CC/C(=N\OCCCc1ccccc1)c1ccc(SC)cc1 821227398 RFFQTKOSRDXEOT-FMQUCBEESA-N 313.466 5.172 30 10 DKEE CC(C)(C)c1ccc(CO/N=C(/c2cccs2)C2CC2)cc1 821233375 WBJKGSAFVWYXNY-CZIZESTLSA-N 313.466 5.377 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(Cl)sc2Cl)CC1 1883073349 DXSJENBFLPRIMS-OAHLLOKOSA-N 316.297 6.098 30 10 DKEE CCCCCCCC[C@]1(N)CCc2cc(Br)ccc21 1920443786 NTHVSFJBSWDHTH-KRWDZBQOSA-N 324.306 5.300 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](NCC)c1ccsc1Cl 1921139532 KKDVLWQXZIMVPM-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(Cl)c(F)c1F 1923352685 WALXDRRNECWYEN-AWEZNQCLSA-N 303.824 5.759 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(C)c(Br)s1 1996474655 QQKPFWISRRSQOB-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1sc(C)cc1Br 2000450574 RZERFKTZMSLBQZ-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE CCCCCCCOc1cc(Br)c(Cl)cc1N 2003245248 INNAYZXWMXVOON-UHFFFAOYSA-N 320.658 5.034 30 10 DKEE C=CCCCC[C@H](NCC)c1cccc(OCc2ccccc2)c1 2009492835 BNQKIXOLGWVKAH-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE C=CCCCCCCC(=O)c1cc(Br)sc1C 2026023026 AYZUOCUKMWQSSQ-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1cccc(C)c1Br 2045980375 IPHXLMLWVNSAEW-INIZCTEOSA-N 311.263 5.086 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(C)cc(Br)c1 2070442689 GUOXYWZAJHUQAX-MRXNPFEDSA-N 313.279 5.326 30 10 DKEE CN(Cc1cc(Cl)cs1)CC1(CS)CCCCCC1 2094005479 CFQLHGPRMDFTIE-UHFFFAOYSA-N 317.951 5.104 30 10 DKEE CCCCCCCNc1c([N+](=O)[O-])ccc(Cl)c1Cl 2103486238 CBSXWTUUJXVTLB-UHFFFAOYSA-N 305.205 5.284 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Cl)c(Cl)cc1Cl 2136609786 SUXCUOUNAQUJRT-HNNXBMFYSA-N 322.707 6.181 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H](NC)c1ccc(Cl)s1 2147654531 NRWLQNBEESASAV-CJNGLKHVSA-N 317.926 5.164 30 10 DKEE C=CC1(C[C@@H](Cc2ccc(Cl)c(Cl)c2)NCC)CCC1 2168022052 CRQSBAOAYCCGGE-CQSZACIVSA-N 312.284 5.260 30 10 DKEE CCCCCCCCCC[C@@H](C[C@@H](C)P(C)(C)=O)NC 2192520761 YNGPFYUVQFVGBW-SJORKVTESA-N 303.471 5.507 30 10 DKEE CCCCCCCCN(C)[C@H]1CCC[C@H](P(C)(C)=O)C1 2195489429 VKGAIFIQDQGVFE-IRXDYDNUSA-N 301.455 5.213 30 10 DKEE CCCCCCCCN(C)[C@H](CN)c1cc(C)c(Cl)s1 2196736744 LJLCJFZQNXBVNG-CQSZACIVSA-N 316.942 5.002 30 10 DKEE C=C([C@@H](NCC)c1ccc(-c2cccs2)s1)[Si](C)(C)C 2205875034 RKCYKWDKPZJIFA-MRXNPFEDSA-N 321.587 5.561 30 10 DKEE C=CCCCCOC[C@H](NCC)c1ccc(Cl)c(Cl)c1 2234040710 HOEVWRIIBBDQET-INIZCTEOSA-N 316.272 5.017 30 10 DKEE C=C1CC(C[C@@H](Cc2cc(Cl)ccc2Cl)NCCC)C1 2234044206 STZCEDIAMSQGIB-INIZCTEOSA-N 312.284 5.260 30 10 DKEE C=CCCCCCCCCOc1cc(Cl)c(N)cc1Cl 2234274058 AUWPDAQGTWKOTQ-UHFFFAOYSA-N 316.272 5.871 30 10 DKEE Cc1cc(C)c(-c2sc(C#N)c(N)c2-c2cccs2)s1 2234291347 BGVHILJBAIQEPT-UHFFFAOYSA-N 316.476 5.276 30 10 DKEE CC(C)(C)C#CC=CCCc1c(F)cccc1Br 2260947076 BBHLLVMEQMBHHZ-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE C=C1CC(C[C@H](NC)c2cc(Br)cc(C(C)C)c2)C1 2265967007 JSPFYVNTHXJFJU-KRWDZBQOSA-N 322.290 5.189 30 10 DKEE C=CCCCCCCCOc1c(Cl)cc(CN)cc1Cl 2296258044 RCQXHFQOSWEOOV-UHFFFAOYSA-N 316.272 5.358 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1ccc(F)c(F)c1 2318633906 UFZCWGZNDRRQPF-UHFFFAOYSA-N 311.331 5.059 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cc(Cl)c(Cl)cc1Cl 2321219341 IAYJZLIELUWFHS-KBPBESRZSA-N 307.648 5.673 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(OC)c(Cl)s1 2340265379 OUHWKKSJTXKIHH-FZMZJTMJSA-N 301.883 5.053 30 10 DKEE C=C(C)CC[C@H](OCCCN)c1ccc(Cl)c(Cl)c1C 2365979168 YJOQJGRWSCCGCE-HNNXBMFYSA-N 316.272 5.065 30 10 DKEE Cc1cc(OCC(C)C)ccc1C(=O)/C=C/c1sccc1C 83192993 WVKWYCHISLPUFJ-BQYQJAHWSA-N 314.450 5.296 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(Nc2ccc(Cl)cc2)CC1 86959613 PDRTVIJOGSICMZ-RDTXWAMCSA-N 304.865 5.641 30 10 DKEE CCCCCCC[C@H](C)Oc1ccc(-c2ccc(O)cc2)cc1 100295892 XTSPTPWEUBUYJL-KRWDZBQOSA-N 312.453 6.187 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 109706800 ZLTHNZJYULJDDG-MRXNPFEDSA-N 320.279 6.057 30 10 DKEE CCCCCCCCCCNCc1ccc(Cl)c(Cl)c1 129281112 ATWWUHKKGWLAKU-UHFFFAOYSA-N 316.316 6.224 30 10 DKEE CCSc1cccc(N[C@H](C)c2ccc(Cl)s2)c1C#N 130537589 RWJSHPVXRYTFLN-SNVBAGLBSA-N 322.886 5.558 30 10 DKEE Cc1cccc(C#N)c1N[C@@H](C)c1ccc(Cl)cc1Cl 220998563 WQQFBXVPFUSARH-NSHDSACASA-N 305.208 5.347 30 10 DKEE Cc1ccc(Sc2ccc(Br)cc2C#N)c(C)c1 229238544 NEDNKLVYJXDYOO-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE Cc1cccc2nc3c(nc12)-c1ccccc1C3=Nc1ccccc1 254393249 AYUPXARMZDLHKT-UHFFFAOYSA-N 321.383 5.088 30 10 DKEE CCN(CC)c1ccc(C=Nc2ccc3ccccc3c2)c(O)c1 254817244 ZPWZBHBIVYNHNZ-UHFFFAOYSA-N 318.420 5.142 30 10 DKEE CC[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)c(Br)c1 691074345 JKWBLRIKTAAXEK-MLGOLLRUSA-N 321.262 5.092 30 10 DKEE C=CCCCOC[C@@H](NCCC)c1ccc(Cl)cc1Cl 709513827 BFEDSXJLTARVPG-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE C=CCC[C@@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712559963 CYYMERBRAKDTDC-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE O=C(CC(c1ccccc1)c1ccccc1)ON=C1CCCCC1 1860464358 ALQROWFPPMVTOZ-UHFFFAOYSA-N 321.420 5.072 30 10 DKEE CCCCCCC[C@](C)(O)C(=O)c1cccc(Cl)c1Cl 1919414790 AIYPYOFKEXXORV-INIZCTEOSA-N 317.256 5.288 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCCCCCC)NCCC 1922081463 XNUZENRCBBUVAW-NRFANRHFSA-N 317.517 5.488 30 10 DKEE CCCCCCCCCC[C@]1(O)CC[C@H]1OCc1ccccc1 1939557067 CXVJJCWZJYYTDT-RTWAWAEBSA-N 318.501 5.628 30 10 DKEE CCCCCCCCCCCCN(CCC)Cc1ccccc1 1990849409 QAZBETMDIFHZGR-UHFFFAOYSA-N 317.561 6.820 30 10 DKEE C#CCCCC[C@H](NCC)c1ccccc1OCc1ccccc1 2005478737 KWAGGOZVGBSYSA-NRFANRHFSA-N 321.464 5.110 30 10 DKEE CCCCCCCCC[C@@H](N)c1scc(Cl)c1Cl 2035093828 NOZOOKDXIKXPEY-GFCCVEGCSA-N 308.318 6.195 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1cccc(C)c1C 2070125599 UHQXJHXSJVZNJH-KRWDZBQOSA-N 306.453 5.138 30 10 DKEE CCCC(CS)(CCC)CSCCCOC1CCC1 2128259562 ZVAACYUDONKVJH-UHFFFAOYSA-N 304.565 5.195 30 10 DKEE CCCCCCCCC[C@H](O)C(=O)c1cc(Cl)sc1C 2154420822 CFPBBGZYODRZHK-AWEZNQCLSA-N 316.894 5.394 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 2203972960 GFTUPBNIUTUWGF-ZDUSSCGKSA-N 311.252 5.488 30 10 DKEE CCCCCCCC[C@H](C)NCCCCOCc1ccccc1 2212663270 CQYULUZDHGSFIB-FQEVSTJZSA-N 319.533 5.712 30 10 DKEE FC(F)(F)C1(CSCCCCCCCS)CCC1 2263207032 WBHMEFRMRVEBMK-UHFFFAOYSA-N 300.455 5.333 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1cc(Cl)ccc1Cl 2289713654 SASKBZXQVMMAND-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cc(C)c(Br)cc1C 2321115291 DTJZASMCODHMGR-HOTGVXAUSA-N 310.279 5.058 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1c(Cl)cccc1Cl 2344346352 RUJKKLXWESCYPP-HOTGVXAUSA-N 300.273 5.636 30 10 DKEE C=CCCC[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2345962608 YZSSFTGIHXLYEI-OAHLLOKOSA-N 324.306 5.300 30 10 DKEE O=[N+]([O-])c1ccccc1/N=C/c1cccc(-c2ccccc2)c1 8519025 NZSPTSHPFQAOTI-XSFVSMFZSA-N 302.333 5.012 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(OC(F)F)c(Cl)c1 59090023 KFWJUXGAFCAVEJ-GFCCVEGCSA-N 319.823 6.102 30 10 DKEE CCOc1ccc(Cl)cc1C(=O)/C=C/c1sccc1C 83205066 XMGWMSGGUMMVRW-FNORWQNLSA-N 306.814 5.005 30 10 DKEE CCCC1CCC(C#N)(Cc2cc(Cl)ccc2Cl)CC1 87959766 KYZXBTNNTJDQRT-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE Clc1cccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)c1 100031573 DXJMLWRUDQGYNS-XDJDQNRRSA-N 319.795 6.506 30 10 DKEE CCCCCCCOc1ccc([C@@H](C)NCCCCCC)cc1 100048093 FOUXEUSZUDQELP-LJQANCHMSA-N 319.533 6.267 30 10 DKEE CCCCCCC[C@](C)(C#N)Nc1ccc(Br)cc1 103991525 PEPLQPNZEVJQPA-MRXNPFEDSA-N 323.278 5.504 30 10 DKEE CCCCCCC[C@@H](C)NCCc1ccc(Cl)cc1Cl 109755435 LXGIVUNMFAAOQT-CQSZACIVSA-N 316.316 5.875 30 10 DKEE CCCCCCCCCCCCNc1cccc(Cl)c1F 110159801 KJIMKCAINLFSFJ-UHFFFAOYSA-N 313.888 6.812 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(Br)o1 114873545 UWNMRQIOPASUHT-ZDUSSCGKSA-N 317.267 5.606 30 10 DKEE CCSc1cccc(Nc2c(F)cc(F)cc2Cl)c1C#N 136692673 LMLSGOQVENEPIU-UHFFFAOYSA-N 324.783 5.345 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(C(C)(C)C)s1 166202529 BGXFMQDWSIURSD-INIZCTEOSA-N 310.547 6.610 30 10 DKEE CC(C)c1cccc(Oc2cccc(Br)c2C#N)c1 168617788 CJNSLSHWKNLTDE-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCCOc1c(Cl)cccc1/C=C/C(=O)O 169171888 RLFBFWNQZMIIGX-VAWYXSNFSA-N 310.821 5.177 30 10 DKEE CCCCC[C@H](NCc1ccc(OCC#N)cc1)c1ccccc1 180557660 ULVAYCQBSMGHPK-NRFANRHFSA-N 322.452 5.000 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 307266294 ZWJNTDQUVBEIND-QIJUGHKUSA-N 318.464 5.017 30 10 DKEE Cc1ccc(CC2(C#N)CCC(C)(C)CC2)cc1Br 313937556 CPNVOHWHVINUMA-UHFFFAOYSA-N 320.274 5.410 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1csc(Cl)c1 378990585 BOBVXOAEVRYPMW-MRXNPFEDSA-N 316.938 6.226 30 10 DKEE C=CCCC[C@H](C)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 692298424 LWEPBAVLZMBPNJ-QWRGUYRKSA-N 304.236 5.528 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(Cl)c(C)c(Cl)c3)C[C@@H](C1)C2 697271015 SVTBXFLSJYRPOH-PBWFPOADSA-N 310.268 5.849 30 10 DKEE CC(C)CCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 703969134 NCXOQNCBFPKHKO-QGZVFWFLSA-N 316.445 5.147 30 10 DKEE C=CCCCOC[C@@H](NCCC)c1c(Cl)cccc1Cl 708896168 AIBBBMVVYFSZLY-OAHLLOKOSA-N 316.272 5.017 30 10 DKEE N#Cc1cccc(Cl)c1-c1c(Cl)cc(Cl)cc1Cl 1848373012 WPTDDLAMJPPNEK-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCCOc1ccc(NC(=O)C2CC2)cc1 1860138377 ZJPPAWWBLPQZQF-UHFFFAOYSA-N 303.446 5.165 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)Cc2ccco2)C1 1915085949 BLHNGIWPHBRLIG-LMNJBCLMSA-N 322.452 5.000 30 10 DKEE C=C(COCc1ccccc1)C(=O)C1CCC(C(C)(C)C)CC1 1922051084 FKWDXRKDOFBIHD-UHFFFAOYSA-N 314.469 5.181 30 10 DKEE C=CCCCCCCCC[C@H](O)CCCOCc1ccccc1 1995328041 NOLAHKZDWSJECM-NRFANRHFSA-N 318.501 5.651 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)[C@H](C)CCO 1995328706 USATWOFGILFSTB-HXUWFJFHSA-N 317.517 5.176 30 10 DKEE C=CCCCC[C@H](N)c1cc(Cl)c(C)cc1Br 2009482931 WHRIJMKIXOCMSN-AWEZNQCLSA-N 316.670 5.157 30 10 DKEE CC[C@H]1CC[C@@](C#N)(Cc2cccc(C)c2Br)C1 2027611700 UEJSNGKJKGVVLT-BBRMVZONSA-N 306.247 5.020 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc(Br)co1 2049668160 XHZLYYOQGHNRAA-CQSZACIVSA-N 314.267 5.219 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCCC(C)(C)C2)c1Br 2112241282 BLEMEGSECWZGLI-KRWDZBQOSA-N 320.274 5.410 30 10 DKEE C=C(CC)C[C@H](O)c1ccc(-c2ccc(Br)cc2)o1 2114581042 PEHJMKWTVDRIIO-AWEZNQCLSA-N 321.214 5.099 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1ccc(C(F)(F)F)c(Cl)c1 2158324417 PQCQCPKCBQBGBL-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200836387 NTZJZVGIAJYUMP-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCC(CCC)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203959318 YUYWLIZYWTVKEL-HNNXBMFYSA-N 312.240 5.386 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1ccc(Cl)c(Cl)c1 2231509674 GTRPVJRHWBWTPZ-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234052782 BXYYOZAWNYEJNB-FZMZJTMJSA-N 312.240 5.386 30 10 DKEE CCCCCCCC[C@@](C)(N)c1nc(C(F)(F)F)cs1 2240616885 XIRUHUCVSJNJAY-CYBMUJFWSA-N 308.413 5.086 30 10 DKEE C=CCCCCCCCSc1nc(C)c(C#N)cc1Cl 2287090898 TUZRLABHBZLRHA-UHFFFAOYSA-N 308.878 5.534 30 10 DKEE C=CCCCCCCCS[C@H](c1ccc(C)s1)[C@H](C)N 2287097761 ZKBLKDIPIRVJJS-RDJZCZTQSA-N 311.560 5.705 30 10 DKEE CCCCCCCCC[C@H](C)Nc1cc(Cl)ccc1Cl 2295672174 ZTTJOTFTLIFZKI-AWEZNQCLSA-N 316.316 6.935 30 10 DKEE CCCCCCCCn1cc(C(C)C)nc1Br 2304321679 JVWNAWIDBNULBY-UHFFFAOYSA-N 301.272 5.130 30 10 DKEE SCC1(COCc2cccc(Cl)c2Cl)CCCCC1 2339308408 PUBRYNZNUKXCKJ-UHFFFAOYSA-N 319.297 5.390 30 10 DKEE CC[C@H]1CC=C(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 2340802010 VKDBUJPHSGIPTI-VIFPVBQESA-N 301.188 5.452 30 10 DKEE C=CCC(CC=C)[C@H](Cc1cc(Cl)ccc1Cl)NCC 2364095628 OKLXJCTUWAZKBF-KRWDZBQOSA-N 312.284 5.282 30 10 DKEE C#CCCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414188 HICABFCPHQWMTJ-INIZCTEOSA-N 312.284 5.536 30 10 DKEE CC(C)Cc1c(C#N)oc2c(Cl)cc(C(F)(F)F)cc12 2366677919 WJQGHFBRUCVERK-UHFFFAOYSA-N 301.695 5.175 30 10 DKEE C=CC[C@H]1CCCC[C@H]1NCc1cc(F)c(Cl)cc1Cl 2377386003 HTWJDHXDYKVSCX-MEDUHNTESA-N 316.247 5.357 30 10 DKEE CCCC1CCC(C#N)(Cc2c(Cl)cccc2Cl)CC1 87959666 TYTPPEFWGKZYTH-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE N#Cc1ccccc1OCCSc1ccc(Cl)c(Cl)c1 88304114 FHVNZJQITDSKGI-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE CCCC(CS)(CCC)COc1cc(Cl)ccc1C 94585981 IZWULQXPIKQMJB-UHFFFAOYSA-N 300.895 5.544 30 10 DKEE O=C(/C=C\Nc1ccccc1Oc1ccccc1)c1cccs1 96585474 IDYKGUVVPJFABB-SEYXRHQNSA-N 321.401 5.349 30 10 DKEE Cc1cc(OCCCCCCCCCS)ccc1C(C)C 97799651 ZRRXXLQYVIAPFI-UHFFFAOYSA-N 308.531 6.158 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)[C@H]1CCCCS1 130147072 WYDWTAZPUMYBBZ-QZTJIDSGSA-N 314.583 5.415 30 10 DKEE CSc1cccc(Nc2cc(Cl)ccc2Cl)c1C#N 136604822 HVPXKVDRBWNBHT-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE CCCCCCCCCCCC(=O)OCc1ccc(C)cc1 138549273 DJTXZXLOTIFDNK-UHFFFAOYSA-N 304.474 5.959 30 10 DKEE CCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)cc1 143386652 MPXRPYOWGAJEBT-PTGBLXJZSA-N 323.480 6.349 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)Cc1cccc(F)c1 157251455 SQQCLSFNXIYNRR-AWEZNQCLSA-N 301.430 5.147 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1c(Cl)oc2ccccc12 164451553 NFKNWADPMTWPOE-UHFFFAOYSA-N 317.175 5.223 30 10 DKEE C=C1C[C@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 201122630 NIKHGUQULKYIGE-UXTPAWKISA-N 302.458 5.040 30 10 DKEE CCCCCCC[C@H](NCCC)c1cccc2ccsc12 228967472 WHCDHQRASPOIIS-SFHVURJKSA-N 303.515 6.303 30 10 DKEE C(=NN=C(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 254377600 CPZGGWOMIAUOGB-UHFFFAOYSA-N 323.399 5.039 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@H](O)c1ccoc1 257435408 HJODEDKXJPYIBN-AJYBTWMASA-N 302.458 5.502 30 10 DKEE biogenic C=CCCCCCCn1c(S)nc2cc(Cl)c(F)cc21 312630924 QRFOAKFSLJAIBN-UHFFFAOYSA-N 312.841 5.254 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cccc(Cl)c2C(F)(F)F)CC1 380981920 GDIDQIMUOOPRIP-SECBINFHSA-N 302.723 5.288 30 10 DKEE CCCCCCCCCCCCNCCSCC(C)C 397175339 VVRXZMSWJJEUPZ-UHFFFAOYSA-N 301.584 5.886 30 10 DKEE C=CCCC[C@H](C)N[C@H](c1ccco1)c1ccc(Cl)s1 398060451 GYUDSXPVWLLXMA-BLLLJJGKSA-N 309.862 5.418 30 10 DKEE CSc1ccc(/C(=N/OCc2ccc(C)cc2)C2CC2)cc1 821234461 QVNUKFWVECRBDO-FMQUCBEESA-N 311.450 5.048 30 10 DKEE CC#CCCCCOc1ccc2ccccc2c1Br 1885369255 XJMAAOPYFPPWRZ-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE CC(C)(C)N(Cc1ccccc1)C[C@@](C)(CS)C(C)(C)C 1893556111 QFTHUWJIPFEWNK-IBGZPJMESA-N 307.547 5.269 30 10 DKEE CCCCCCC[C@@]1(N)CC(C)(C)[C@H]1OCc1ccccc1 1934859129 DSEUWFWVMNEVOG-UYAOXDASSA-N 303.490 5.060 30 10 DKEE N#C[C@H](CN(Cc1ccccc1)C1CCCCC1)c1ccccc1 1946849922 ADPMQMVVMRCDGC-OAQYLSRUSA-N 318.464 5.129 30 10 DKEE C=CC1(C[C@H](NC)c2cccc(OCc3ccccc3)c2)CCC1 2002638641 IYCJPVFIUKXTON-NRFANRHFSA-N 321.464 5.273 30 10 DKEE CCc1cc(Br)c(C(=O)C=C2CCCCC2)s1 2007973583 GHURZJPPKUCESY-UHFFFAOYSA-N 313.260 5.146 30 10 DKEE N#C[C@]1(Cc2ccsc2Br)CCCCC12CCC2 2053378166 OISPOFDHTUIRBL-OAHLLOKOSA-N 324.287 5.307 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)c(Br)c2)CCCC12CC2 2053387922 STUCJWFUJNZQFE-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE N#C[C@@H](c1ccc(F)cc1Br)C1CCCCCC1 2065478981 CHNOUNQYQCVENQ-CQSZACIVSA-N 310.210 5.166 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)cc1F 2085839984 SYATXGOYLDXETF-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1cc(Cl)cs1 2091002053 RZFMGELIXYMLAP-OAHLLOKOSA-N 302.867 5.145 30 10 DKEE C=C([C@H](NCCC)c1ccc(C)c(Br)c1)C(C)(C)C 2096621274 MKZUDDMYHLMGSX-INIZCTEOSA-N 324.306 5.401 30 10 DKEE CCCC#CCC[C@@H](NCCC)c1ccc(Br)cc1 2138984378 AORWLZWMPFSDDB-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCS[C@H]1CC[C@@H](N(C)CCCCCCCCCS)C1 2171100284 TVAZUFMYUPPQIT-SJORKVTESA-N 317.608 5.253 30 10 DKEE CC1(C)CCC[C@@](C#N)(C(F)(F)[C@H](F)C(F)(F)F)CC1 2175178393 ZZHCKIQBBJFQLM-GXSJLCMTSA-N 301.274 5.022 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1cc(Cl)cc(F)c1F 2184422197 CYYSNPLVXRTALT-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C[C@@](F)(CNc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F 2191847743 XOYFPHDMKPMFGX-SECBINFHSA-N 323.639 5.061 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200835889 CLLFEBQLVQKLSD-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cscc1C(F)F 2206885134 KXWRDGUQMQPQQO-HNNXBMFYSA-N 301.446 5.863 30 10 DKEE C=CCCCCCCCCNCc1cc2cscc2s1 2207397923 XAJCYKABCWLGFQ-UHFFFAOYSA-N 307.528 5.969 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H]1SCCS[C@H]1CC 2207410668 AKGYQKUWHWCITC-IRXDYDNUSA-N 314.560 5.490 30 10 DKEE Brc1ccccc1C#CCC1CC(=C2CCC2)C1 2220257684 ATIKHZBOSLORPX-UHFFFAOYSA-N 301.227 5.081 30 10 DKEE CCCCCCCNCc1ccc(Cl)c(C(F)(F)F)c1 2236299619 WBPYVSAOKKNMSL-UHFFFAOYSA-N 307.787 5.419 30 10 DKEE CCCC[C@](C#N)(CC)Cc1c(Cl)nc(Cl)nc1Cl 2266802526 MBISFZOBQZTYMO-CYBMUJFWSA-N 320.651 5.089 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1cc(Cl)sc1Cl 2276504249 FFILTNQUADEPLI-GFCCVEGCSA-N 322.301 5.208 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1csc(C(F)(F)F)c1 2287466818 RPMODPVKLGSGDK-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE CCSc1cccc(SCC23CCC(CC2)C3)c1C#N 2290110662 WRPWKOOBOVZGRT-UHFFFAOYSA-N 303.496 5.343 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1C 2339062803 LHZUCNBCOYNCEF-OAHLLOKOSA-N 301.257 5.862 30 10 DKEE CSc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1C#N 2353824017 ISVCKKBTWBQMEL-UHFFFAOYSA-N 310.205 5.379 30 10 DKEE CCCCCCCC[C@H](NN)c1c(F)ccc(C)c1Cl 2360561982 JJQBDMXPLRKCNV-AWEZNQCLSA-N 300.849 5.043 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Sc1ccc(F)cc1F 37381871 VYAXEKTYMISOLT-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE Cc1ccc(-c2cc(-c3ccccc3)nc(Cl)c2C#N)cc1 38538785 LRQCEFYXOHFISH-UHFFFAOYSA-N 304.780 5.249 30 10 DKEE N#C[C@H](C(=O)c1c(Cl)cccc1Cl)c1ccccc1Cl 44268498 BSRWJYJLXDUDCL-JTQLQIEISA-N 324.594 5.137 30 10 DKEE C=C1CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1[C@@](C)(C(=O)O)CCC[C@@]13C 95627938 REZQHIIQALKSCD-WKSOIMLMSA-N 302.458 5.040 30 10 DKEE in-vitro Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 100031779 BSQYVBPZXIHZNN-CZPSDBATSA-N 301.349 5.558 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc(Cl)c1C 105884505 OCADWQGTLVRHFI-UHFFFAOYSA-N 323.908 6.508 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 110354800 LFHDOFGQOIHNJI-WOSRLPQWSA-N 307.890 5.787 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)sc1Cl 115062782 RPGZGRPXENTUGG-GFCCVEGCSA-N 308.318 6.066 30 10 DKEE CCCCCCCCCOc1ccc(Br)cc1N 115074101 BRJCVHMARZUCSA-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE CCCCCCCC[C@H](O)c1sccc1Br 128488430 TWINMYUVAITFEF-LBPRGKRZSA-N 305.281 5.295 30 10 DKEE CCCCCCCC[C@@H](COc1ccc(Cl)cc1)NCC 140299080 LOJXVBSBBWKZDF-KRWDZBQOSA-N 311.897 5.448 30 10 DKEE CCCCCCCC[C@H](N)c1cccc(OC(F)(F)F)c1 164648193 VXCMQUKKBABHFT-HNNXBMFYSA-N 303.368 5.336 30 10 DKEE CCCCCCCCCCC(=O)c1c(F)cc(F)cc1F 165082208 LOCBYNIRQZMXQX-UHFFFAOYSA-N 300.364 5.817 30 10 DKEE O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)s1 206058812 AXFFGERYGHJUIY-LDADJPATSA-N 308.362 5.074 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(F)c(F)c2)C1 222270887 YSLNHWKECJNPSO-OZVIIMIRSA-N 309.425 5.411 30 10 DKEE Cc1ccc(CC2(C#N)CCCCCC2)cc1Br 314106232 FNHNTHFVEXUBID-UHFFFAOYSA-N 306.247 5.164 30 10 DKEE C=C(C)CC[C@@H](N)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 407385332 ZSNXQLFVQILCCN-OAHLLOKOSA-N 324.852 5.043 30 10 DKEE Cc1c(F)c(F)c(-c2ccccc2OC(F)(F)F)c(F)c1F 514259488 NATBXHQMEVHSKT-UHFFFAOYSA-N 324.195 5.117 30 10 DKEE CSc1cccc(Nc2nccc(-c3ccccc3)c2C#N)c1 1859830064 UDMMJOQLVZTWHI-UHFFFAOYSA-N 317.417 5.086 30 10 DKEE CCCCCCCCCCNC(=O)c1nc2ccccc2s1 1866261386 NUOGGZDXFWNSKL-UHFFFAOYSA-N 318.486 5.167 30 10 DKEE C=C([C@@H](NCCC)c1csc2c1CCCC2)[Si](C)(C)C 1922876874 XPNXUJLBZVEZOB-QGZVFWFLSA-N 307.579 5.101 30 10 DKEE CCCCCCCC[C@@H](N)c1scc(C)c1Br 1950855642 UEOILJVJVORAMW-GFCCVEGCSA-N 318.324 5.569 30 10 DKEE C=CCCCCCC[C@]1(N)CC(C)(C)[C@@H]1OCc1ccccc1 1995173194 KOMHVBKAKLKHDL-FPOVZHCZSA-N 315.501 5.226 30 10 DKEE C=C(C)CC[C@H](NCC)c1c(Cl)cccc1Br 2000327097 OVMCEFUDWGKPJA-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE CCCC[C@@](C)(C=O)Cc1cccc(Br)c1Cl 2001880984 OBIXMAZSACYBIJ-CQSZACIVSA-N 317.654 5.040 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Cl)ccc1Br 2007982245 FEWOKQWHWUCBMS-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(Br)ccc2Cl)CC1 2010608470 JCRZZSFSWIZTET-SECBINFHSA-N 313.622 5.032 30 10 DKEE CCCCCCCN(C)[C@H](C)c1cscc1Br 2013632621 WKXHNWFZXSELFZ-GFCCVEGCSA-N 318.324 5.474 30 10 DKEE C=CCCCCC[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 2019789267 GTOKKOIPUOLVSF-JOCHJYFZSA-N 324.464 5.610 30 10 DKEE Cc1cc(C)c([C@H](C)n2nc(C3CCCCC3)cc2C#N)cc1C 2070085635 PKGBCIXZNNGKOD-KRWDZBQOSA-N 321.468 5.337 30 10 DKEE CCCCC[C@H](CC)Nc1ccc(Br)cc1C#N 2073350237 KHGPNFMLJHSCCZ-AWEZNQCLSA-N 309.251 5.092 30 10 DKEE C=CCCCCCCC(=O)c1cc(C)ccc1Br 2085850324 URJUZRXBPHKHPG-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE N#Cc1cc(F)c(SC2CCC(F)(F)CC2)cc1Cl 2120881809 PLEJELAMQVZPIH-UHFFFAOYSA-N 305.752 5.021 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1snc(Cl)c1Cl 2138958706 KEMTULIGKCQOLK-LLVKDONJSA-N 319.301 5.074 30 10 DKEE FC(F)CC1CCN(CCCCCCCCCS)CC1 2154148696 KHKBSRIQYSUKFJ-UHFFFAOYSA-N 307.494 5.014 30 10 DKEE C=C1CC(C[C@@H](Cc2ccc(Cl)cc2Cl)NCCC)C1 2182157498 GXMPHSMHIZPYPC-INIZCTEOSA-N 312.284 5.260 30 10 DKEE CSc1cccc(Oc2cc(C)c(Cl)cc2C)c1C#N 2193344592 CMMCGRZAWHUHAR-UHFFFAOYSA-N 303.814 5.343 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc([C@@H](C)NCCC)cc1C 2217378920 BKAGJABBXUUDNU-LJQANCHMSA-N 322.496 5.248 30 10 DKEE FC(F)(F)Oc1ccc(SC[C@@H](CS)C2CCC2)cc1 2235919696 OFPGFYWBDICCRG-LLVKDONJSA-N 322.417 5.023 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(F)c(Cl)c(F)c1 2240615262 AYPLCKZXBXWUQG-MRXNPFEDSA-N 303.824 5.543 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1c(Cl)nc(Cl)nc1Cl 2266802527 MBISFZOBQZTYMO-ZDUSSCGKSA-N 320.651 5.089 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](NCC)c1cc(Cl)cs1 2290435968 MDMKAIMSZOGUSY-GOEBONIOSA-N 317.926 5.164 30 10 DKEE c1ccc(N=N/C(=N\Nc2ccccc2)c2cccs2)cc1 2333247189 YYNVZGCGVPELJN-SGNGBCOASA-N 306.394 5.306 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NN)c1cc(Cl)c(Cl)c(Cl)c1 2344460538 RPNYRNPUOWAALX-ZIAGYGMSSA-N 321.679 5.144 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2344469094 RVCCDWQRRAZRNF-JKSUJKDBSA-N 301.257 5.279 30 10 DKEE C=CC[C@H](C)S[C@@H]1CCCCCC(F)(F)[C@@H]1NCCC 2360332155 ZPCGBJYTMNHYAX-RRFJBIMHSA-N 305.478 5.020 30 10 DKEE CCCCCCCCCCCCS[C@H]1C[C@H](C(=O)O)C1 2362311297 PZWQXLAOLBEHRZ-WKILWMFISA-N 300.508 5.504 30 10 DKEE Cc1c(CC2(C=O)CCCCCCC2)ccc(Cl)c1Cl 2364019765 WEKNUMQOVNHGDL-UHFFFAOYSA-N 313.268 5.774 30 10 DKEE O=C(CCCCC(F)(F)C(F)(F)F)CCCC(F)(F)F 2368104258 WGNBFRRVCXFCLP-UHFFFAOYSA-N 314.216 5.046 30 10 DKEE N#C[C@]1(Cc2cc(F)c(Cl)cc2Cl)CCCC(F)(F)C1 2377393782 BHBJOPCTLBIEJH-ZDUSSCGKSA-N 322.157 5.394 30 10 DKEE C=CC[C@H](CNC1CCC1)Cc1cc(F)c(Cl)cc1Cl 2377399085 NMKLTIQASOTQEF-NSHDSACASA-N 316.247 5.009 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)cc2)C1 37154902 DDQATALTRMYZEV-CKEIUWERSA-N 305.462 5.662 30 10 DKEE Cc1cc(/C=N/c2cccc3ccccc23)ccc1N1CCCC1 59105177 SPKXPMPBTLMCKH-XQNSMLJCSA-N 314.432 5.499 30 10 DKEE N#Cc1csc(CNc2c(Cl)cc(Cl)cc2Cl)c1 93685596 XWNIGWVZORMGOM-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccsc1)C1CC1 94580650 GWPPVZMXSDETMQ-UHFFFAOYSA-N 311.560 5.229 30 10 DKEE CC(C)[C@H](CS)COc1c(Cl)cc(Cl)cc1Cl 94582312 IUCNAGSFTZJSOU-QMMMGPOBSA-N 313.677 5.228 30 10 DKEE CC[C@@H](C)c1ccccc1OCCCCCCCCCS 97799677 DKHQCRMCGNDUMQ-QGZVFWFLSA-N 308.531 6.239 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccccc1Br 103936366 HCFYNYBFFHPKGW-OAHLLOKOSA-N 313.279 5.103 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(Cl)ccc1Cl 115856728 NMZRPAVDGXBRSE-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCCCCCc1nnc([C@H](CC)NC)s1 116085691 WOAOGYIRSIBBNA-HNNXBMFYSA-N 311.539 5.282 30 10 DKEE N#Cc1ccc(Nc2ccc3cc(Br)ccc3c2)cc1 124456802 OYTPRMWSGRKHML-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCCNc1ccc(Cl)c(Br)c1 127664198 ZFNTXKWGUPLHNO-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)[C@]1(C)CCCS1 143501330 YRKGEODATYUISW-MOPGFXCFSA-N 313.595 6.171 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCCC1)c1ccc(Cl)c(Cl)c1 162029076 XIKROSJWEZKWPV-CQSZACIVSA-N 324.251 5.530 30 10 DKEE CCCCCCCCCCCC(=O)Cc1ccc(Cl)s1 164853568 KLQRVTVCIKQBEE-UHFFFAOYSA-N 314.922 6.434 30 10 DKEE CCC[C@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 171246166 BFRSTHWPCQPIJY-NRFANRHFSA-N 322.452 5.000 30 10 DKEE CC[C@H]1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1 245312303 TVRQQLBTOYAMMD-FPEDAYMGSA-N 314.475 5.666 30 10 DKEE aggregator C#C[C@]1(C)CC[C@@H]2[C@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@@H]3CC[C@]21C 253594934 TWDJAFCDZVGTEL-XBTVOMPESA-N 310.525 6.225 30 10 DKEE Cc1ccc(CC2(C=O)CCCCCCC2)cc1Br 316869814 UMCBNMBYVGSOTF-UHFFFAOYSA-N 323.274 5.230 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(Br)c(F)c1C 696096791 NUFBCLUVEHBFHV-AWEZNQCLSA-N 314.242 5.033 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(Cl)cc1C(F)(F)F 712550988 VYUPZIGMBRGARG-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE CCc1cc2sccc2c(CC#N)c1SC(F)(F)F 725303871 ZUZBAJREFPZJQC-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE FC(F)(F)c1ccc(C#Cc2cccc(Cl)c2Cl)cc1 725402681 BMXIQGPAMHHDNI-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(Cc2ccccc2)cc1 1866090247 TWKPISGOAWXQKL-UHFFFAOYSA-N 323.480 5.967 30 10 DKEE CCCCCCCCCOc1ccc2c(=O)c(Cl)coc2c1 1871429859 QOYRWNUHJPEOQW-UHFFFAOYSA-N 322.832 5.576 30 10 DKEE C=CC[C@@H](C)OC[C@H](NCCC)c1cc(Cl)ccc1Cl 1913342193 WCIMMIPUVVVWKG-WBMJQRKESA-N 316.272 5.015 30 10 DKEE CCCCCCCC[C@]1(N)CC(C)(C)[C@H]1OCc1ccccc1 1939545880 OWDJLSPSCOEBSJ-CTNGQTDRSA-N 317.517 5.450 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@](C#N)(CC)C1CCCCC1 1975997216 HYFGKZVVVNHQAN-BEFAXECRSA-N 322.493 5.275 30 10 DKEE CCCCC#CCNc1cc(Cl)c(Br)cc1C 2024347135 MVSMTUSRRLCHKS-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE CCCCCC#CCNc1ccc(Cl)c(Br)c1 2024348995 IAQJMZAPVOHDPY-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE C=CCCCCCC[C@H](NC)c1cscc1Br 2026022262 RYSVENRLLBBJSB-AWEZNQCLSA-N 316.308 5.298 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)c(Cl)s1 2037455473 JBCKMPWDLLCIGH-MFKMUULPSA-N 304.286 5.279 30 10 DKEE Cc1ccc([C@H](C(C)C)n2nc(C3CCCCC3)cc2C#N)cc1 2070091576 IYOFQLMTDJVZIZ-NRFANRHFSA-N 321.468 5.356 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1Cl 2096547207 UYIJQXADEXSWOF-WBMJQRKESA-N 300.273 5.779 30 10 DKEE C=C1CCC(N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)CC1 2101211340 DUFNSGHXXZHAIM-JTQLQIEISA-N 318.675 5.796 30 10 DKEE C#Cc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)cc1 2101662449 NIIVENINEGYRFR-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE C=CC1(CN[C@H](CC)c2ccc(Br)cc2)CCCC1 2132978048 WEJGLUISXZVKDR-MRXNPFEDSA-N 322.290 5.236 30 10 DKEE C=CCC[C@H](C)[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2163999151 NIOXCBNNVIPONN-SJCJKPOMSA-N 305.874 5.671 30 10 DKEE N#C[C@]1(Cc2cc(Cl)cc(Cl)c2)CCCCC12CCC2 2197917646 PEMUFTDTRARQMM-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ncc(Cl)cc1Cl 2207430794 YJDVAVPSLISVTI-HNNXBMFYSA-N 315.288 5.695 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(CN[C@H](C)CC)cc1 2217123017 QULLRKDILYBZSD-LJQANCHMSA-N 322.496 5.157 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccsc1C(F)(F)F 2235533398 AYPHGHRONKXJAW-ZDUSSCGKSA-N 306.393 5.717 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1cscc1Cl 2278231347 YSBVIUKUXOPUOV-CQSZACIVSA-N 301.927 6.020 30 10 DKEE C=CC[C@@H](C)Oc1c(Cl)cc(CNC(C)(C)C)cc1Cl 2296262069 QVALYZVMGMQUMP-LLVKDONJSA-N 316.272 5.225 30 10 DKEE O=C1C(=Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C1CCCC1 2297334154 IJIZPDDJBJFYIT-INIZCTEOSA-N 308.343 5.258 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccccc1Br 2321098272 INUOVVBTVBGAJQ-HOTGVXAUSA-N 310.279 5.092 30 10 DKEE C=CCCCC[C@H](NCC)c1c(Cl)cc(C)cc1Cl 2353054588 MVNJBLLLDCBBSL-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE C#CC(C)(C)C[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377311964 ANOFDQAGHMLJLQ-HNNXBMFYSA-N 316.247 5.223 30 10 DKEE N#Cc1cc2ccccc2nc1Oc1ccc(Cl)c(Cl)c1 71390610 HJLYJIZQVMBOSQ-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE N#CC[C@H](Sc1ccc(Cl)c(Cl)c1)c1ccccc1 88304102 QWXWTRHUMVIZFM-HNNXBMFYSA-N 308.233 5.740 30 10 DKEE CCCCCCCNCc1cc(Cl)c(OC)c(Cl)c1 104465738 CPBBVPRMNRJXPE-UHFFFAOYSA-N 304.261 5.062 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(Br)s1 114419522 NSDNJDNYKXVPSP-NSHDSACASA-N 304.297 5.261 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(C)cc1Cl 128056220 MDJBJEQPVCKOCG-CYBMUJFWSA-N 302.289 6.463 30 10 DKEE CCCCCCCCC[C@H](O)Cc1ccc(Cl)cc1F 160357332 ATAZCNWEPJSQSJ-INIZCTEOSA-N 300.845 5.523 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(Cl)c(Br)c1 164728615 ROEROHGFIFELHO-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCC(=O)Cc1sccc1Br 165173113 FPISPVCSGBDMOR-UHFFFAOYSA-N 317.292 5.373 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1SCCS[C@@H]1CC 228169665 NGJBSGUQUVNBCN-BBWFWOEESA-N 317.608 5.342 30 10 DKEE C=CCCCCCNc1cc(Br)c(F)cc1C 232100102 FSJOOQNTEJQMRR-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE c1ccc(OC(=Nc2ccc3ccccc3c2)c2ccccc2)cc1 254818112 DDZOPCMCSISQKV-UHFFFAOYSA-N 323.395 5.997 30 10 DKEE CC(C)(C)c1ccc(Sc2nc(Cl)c(C#N)s2)cc1 311913173 CVFYZUJWEFIYEB-UHFFFAOYSA-N 308.859 5.117 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1ccsc1Cl 312559129 AHKXNKFXRRDASD-HNNXBMFYSA-N 316.942 5.827 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H](C)OCc1ccccc1 404433234 GDXVTDOOLKRLBM-ICSRJNTNSA-N 305.506 5.320 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2cc(Cl)ccc21 692192621 YNQAKEKHTNFUAP-FZMZJTMJSA-N 306.862 5.286 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2cc3cscc3s2)CC1 693994599 MVMIYNNKSDOGEP-AJQRCPHMSA-N 305.468 5.106 30 10 DKEE C=C1C[C@H]2CC(Nc3cccc(Br)c3C)C[C@@H](C1)C2 700365172 GWUKMCRQACJICX-YIONKMFJSA-N 320.274 5.304 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cscc1C(F)F 717186815 QNEMOQVKMUSOCU-OAHLLOKOSA-N 304.446 6.250 30 10 DKEE CCCCCCCC[C@H](C[C@H](C)COCc1ccccc1)NC 719137009 SVWWGPOKXIBFGM-PZJWPPBQSA-N 319.533 5.568 30 10 DKEE Fc1cc(F)cc(C#Cc2cc(C(F)(F)F)ccc2Cl)c1 1614826646 IJWRCCINHZHLLW-UHFFFAOYSA-N 316.656 5.037 30 10 DKEE CCC[C@H](CS)CN(Cc1ccccc1)CC1CCCCC1 1931884177 QCAIQWLXZBOGST-FQEVSTJZSA-N 319.558 5.415 30 10 DKEE C=CC[C@@H](CC)N[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1935986930 NNGNOFFPYNATPE-GDBMZVCRSA-N 318.461 5.039 30 10 DKEE CC[C@H](C(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1988765850 XLQUMLFYXVXMOM-SJORKVTESA-N 322.493 5.131 30 10 DKEE C=CCCCCCCCCCC[C@@H](O)COCc1ccccc1 1995328916 WIEWCPLBCJGJSW-OAQYLSRUSA-N 318.501 5.651 30 10 DKEE C=CCCCCCCNc1ccc(F)cc1Br 2026014364 IKLCMIPOHSRCQJ-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1ccc(Cl)s1 2142442143 SJBHOJBQLVWGCK-AWEZNQCLSA-N 300.895 6.132 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(C(F)(F)F)cc1Cl 2179263604 ISSKFTTYVFWFHO-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CC#CCCCC[C@@H](NCC)c1cscc1C(F)(F)F 2196169583 HOXMWNSTXFRYKJ-CQSZACIVSA-N 303.393 5.001 30 10 DKEE C#CC[C@H](C[C@@H](NCCC)c1scc(C)c1Cl)C1CC1 2196860477 ZSGZMENWGCGQCA-HUUCEWRRSA-N 309.906 5.190 30 10 DKEE C=C([C@@H](NC)c1cc(Cl)cc(C(F)(F)F)c1)[Si](C)(C)C 2200839420 QJAKUJITJDNTLU-CYBMUJFWSA-N 321.846 5.053 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc(C(F)F)cs1 2235527242 SXECRQUNAGBUHM-CQSZACIVSA-N 301.446 5.863 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)C1CC(C)C1 2238202415 PVDOIAIOKVKSSX-UHYCVJNDSA-N 301.540 5.753 30 10 DKEE C=CCCCCCC(=O)c1sc(Br)c(C)c1C 2247217270 NUALZQMVRCNDKS-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE C=C(C)CCCC[C@H](N)c1cccc(Br)c1Cl 2250131197 HDUUBOAZILKCHG-ZDUSSCGKSA-N 316.670 5.239 30 10 DKEE C=C(C)CCCC[C@H](NC)c1scc(C)c1Br 2250161696 PQVOFUMKCCAFKW-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE C=C(C)CCCC[C@H](O)c1c(Cl)cccc1Br 2250162531 DEEHVPYRWDWTOC-ZDUSSCGKSA-N 317.654 5.272 30 10 DKEE C=C(C)CCCC[C@H](NC)c1sc(C)cc1Br 2250162591 ACQGXADIIXCINZ-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCC2(C(F)(F)F)CC2)C1 2281275613 HXIIWBFTNBCSIC-AGIUHOORSA-N 305.409 5.171 30 10 DKEE C=CCCCCCCCSc1ccc([C@H](C)O)cc1Cl 2287189576 ONCYUUJRHZNMBH-AWEZNQCLSA-N 312.906 6.012 30 10 DKEE CCCCCCCCCCNCC(Br)=C(C)C 2301859101 MQDFZYGUXSZBCQ-UHFFFAOYSA-N 304.316 5.406 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(Cl)sc1Cl 2315466449 WIPSRLACMNNQTC-HOSYDEDBSA-N 304.286 5.450 30 10 DKEE CCCCCCC[C@](C)(N)c1c(Cl)cc(F)cc1Cl 2335285773 OBVZOTWBQYHHPZ-HNNXBMFYSA-N 306.252 5.667 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccc(Cl)c(Cl)c1C 2364596005 CELZIWXSMLAGSD-CYBMUJFWSA-N 316.316 6.140 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(Cl)c(OC)c(Cl)c1 2365504756 UOQDSKOOFRBLOZ-MRXNPFEDSA-N 314.256 5.655 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377312135 CBNZUVPPFWWCQX-MRXNPFEDSA-N 318.263 5.920 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1sccc1C)N2 14456037 RDFUTLUEYRFDJM-FCEWJHQRSA-N 323.461 5.448 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 14551511 ZJWPSJXKQLJCAT-DXIQSLLYSA-N 317.432 5.468 30 10 DKEE CSc1ccc(C)cc1C(=O)/C=C/c1cn(C)c2ccccc12 83193168 DWJMUJCALYDPCT-MDZDMXLPSA-N 321.445 5.105 30 10 DKEE CCCCCCCn1c([C@H](N)CC(C)C)nc2ccccc21 104066592 WSWMFJVCYQGLIW-MRXNPFEDSA-N 301.478 5.053 30 10 DKEE CCCCCC[C@H](C)Nc1cc(Br)ccc1C#N 123164120 KXECUMZINGPDKU-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(Cl)cc1Cl)NN 125560050 ZJUCISUFYAGMML-OAHLLOKOSA-N 317.304 5.118 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCCC1)c1c(Cl)cccc1Cl 162024761 UYTHKSIXJLPKQF-ZDUSSCGKSA-N 324.251 5.530 30 10 DKEE CCCCCCCCC[C@H](O)Cc1cc(Cl)ccc1F 231248133 NDXRETALNVUMEP-INIZCTEOSA-N 300.845 5.523 30 10 DKEE C=CCSc1ccccc1NCc1ccc(F)cc1Cl 236231036 SIGLVHGPKODDCG-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE N#CCC(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 253614290 ONPMRFGLIIYOTB-UHFFFAOYSA-N 304.220 5.308 30 10 DKEE CCOc1cccc([C@H](CC#N)C2CC2)c1OCc1ccccc1 260611757 OAMKLQSKNARXIN-GOSISDBHSA-N 321.420 5.072 30 10 DKEE CC(C)C[C@H](C)[C@@H](C#N)Sc1cccc(Br)c1 310089904 DLGCUWMAXGEWOR-SMDDNHRTSA-N 312.276 5.116 30 10 DKEE CCCC(CS)(CCC)COc1ccc(C#N)c(Cl)c1 312832597 MKOWDRSQIOFBBR-UHFFFAOYSA-N 311.878 5.107 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)cc1 406372050 SAZVMWOTKAOUJO-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CC(C)CC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698442146 DLIMANKBTJJGPN-LJQANCHMSA-N 316.445 5.147 30 10 DKEE CCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698481973 BVGAVHZBOJTQAA-HZPDHXFCSA-N 310.482 5.275 30 10 DKEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 710787191 RLBTVKLBYXIGID-CQSZACIVSA-N 320.408 5.040 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 712550990 VYUPZIGMBRGARG-CQSZACIVSA-N 306.755 5.529 30 10 DKEE C=CCC(C)(C)COCc1cccc(Cl)c1Br 719503112 ZXGUQUILIPRBEH-UHFFFAOYSA-N 317.654 5.221 30 10 DKEE FC(F)c1csc2c(C(F)(F)F)cc(C(F)(F)F)cc12 725324908 ZMJQIKOYWYHQEL-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE CCCCOc1ccc(C#Cc2ccc(Cl)c(Cl)c2)cc1 1614706140 KQRLJBZDJZMGFQ-UHFFFAOYSA-N 319.231 5.572 30 10 DKEE CC(C)Cc1ccc(C#Cc2ccc(Cl)c(Cl)c2)cc1 1614827294 UBKYHAFUMXOPRM-UHFFFAOYSA-N 303.232 5.592 30 10 DKEE Cc1cccc(C)c1C#Cc1ccc(Cl)c(Br)c1 1614827623 OHMNDJNASWLJAA-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE N#Cc1ccc(C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1 1848368058 HHTHXTIBNNSJJD-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C#CC[C@@H](C[C@H](O)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887098276 KZVNLOZSKHWILM-GWCFXTLKSA-N 317.643 5.120 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)ccc1OC(F)F 1919621035 QCIDKMDVBCKEJH-ZDUSSCGKSA-N 306.780 5.335 30 10 DKEE C=C(CC)CCc1cccc(Br)c1Br 1956841165 SOCOLBVYBOFJPG-UHFFFAOYSA-N 318.052 5.110 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1ccccc1OCc1ccccc1 1996708894 FLPKWTGNEPWYMR-PZJWPPBQSA-N 321.464 5.273 30 10 DKEE CC[C@](C)(CCC=C(C)C)OCCCB1OC(C)(C)C(C)(C)O1 2014044099 AGIJYSFHZRVGRE-LJQANCHMSA-N 324.314 5.400 30 10 DKEE CC(=O)C=Cc1ccccc1Oc1cccc(C(F)(F)F)c1 2040744308 DSYWRQJWHPFVRK-UHFFFAOYSA-N 306.283 5.100 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1cc(C)cc(C)c1 2070123655 OFIPEKLOBIOSNG-QGZVFWFLSA-N 306.453 5.138 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc(Cl)c(Cl)s1 2098758524 WIMAWCMIGKUIAW-ZDUSSCGKSA-N 323.285 5.408 30 10 DKEE C=C([C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl)C(C)(C)C 2107874030 XNYIVUFEQUPEER-CQSZACIVSA-N 320.691 5.900 30 10 DKEE Cc1cccc(C(=O)C2=CC[C@H](C(C)C)CC2)c1Br 2125179947 GKVFBXDNOJCXKK-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H](O)c1sccc1Cl 2148583426 QMYDWPQABFQMBL-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE C=C([C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC)C(C)(C)C 2152940975 FLJJELNQUSCPAY-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2c(Cl)cncc2Cl)CC1 2164094765 NNVAMOVECJTCAJ-OAHLLOKOSA-N 313.272 5.176 30 10 DKEE C=CC1(C[C@@H](N)c2ccc(C(F)(F)F)cc2Cl)CCC1 2179258439 DOPQMCCPRFTCEZ-CYBMUJFWSA-N 303.755 5.105 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1ncc(SC)s1 2206887285 XKVZCMAISDVICZ-CQSZACIVSA-N 312.548 5.432 30 10 DKEE C=C[C@H](CCCCC)OCc1csc(Br)c1 2212497283 HAESQYZKXORYNO-GFCCVEGCSA-N 303.265 5.162 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1Cl 2227301138 HONOHIHYYKRIKO-OAHLLOKOSA-N 323.691 6.215 30 10 DKEE CCCCCCCNCc1sc(Cl)cc1Br 2244957444 JCEZKEOXQSLDMY-UHFFFAOYSA-N 324.715 5.224 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(O)c1cc(Cl)sc1Cl 2268723001 MFPSIVMMAHMFMD-OAHLLOKOSA-N 317.281 5.258 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2270971172 RKDRLLQOJUKATA-INIZCTEOSA-N 300.273 5.699 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1snc(Cl)c1Cl 2271784391 FGDQJAFWEWRMIN-LLVKDONJSA-N 321.317 5.627 30 10 DKEE CCCCCCCCCCCOc1cc(Cl)sc1CN 2288311078 OQAYLKMOOWPNMH-UHFFFAOYSA-N 317.926 5.770 30 10 DKEE C=CCCCCCC[C@@H](OCCCN)c1ccc(Cl)s1 2294002428 CGDMCOMDBWZQDB-CQSZACIVSA-N 315.910 5.335 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1csc(C(F)F)c1 2295583845 ULWKQYBGGKKVHJ-MRXNPFEDSA-N 304.446 6.034 30 10 DKEE C=C1CC([C@@H](NCCC)c2ccc(OCc3ccccc3)cc2)C1 2299508102 IFVHZURKPABIAT-QFIPXVFZSA-N 321.464 5.273 30 10 DKEE C=CCC(CC=C)Nc1cc(F)c(Br)c(Cl)c1 2301050863 OILWYYRKSYYUTI-UHFFFAOYSA-N 318.617 5.174 30 10 DKEE CCC(=NOCc1ccccc1Cl)c1ccc(C(C)C)cc1 2330251515 ZYQJHBUJYKBQFT-UHFFFAOYSA-N 315.844 5.794 30 10 DKEE C#CCCCCCCN[C@H]1CCSc2ccc(Cl)cc21 2364148757 LZNYODOLWLPLIV-INIZCTEOSA-N 307.890 5.050 30 10 DKEE CCCN[C@H](C#CC1CCC1)c1ccc(Cl)c(Cl)c1C 2364551283 ODVZAVDMZYGQPT-MRXNPFEDSA-N 310.268 5.146 30 10 DKEE O=C(CC#CC1CCCC1)CCc1cc(Cl)cc(Cl)c1 2366854905 UPSLOCBHGMSBGQ-UHFFFAOYSA-N 309.236 5.079 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 2368151166 ZFEBLBOTUXMQOK-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE N#Cc1cc(NCc2cc(-c3cccs3)cs2)ccc1F 51636050 VKKKSEXPIRLKGR-UHFFFAOYSA-N 314.410 5.099 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCCC[C@H]1C(F)(F)F 69392498 AXPWNISBRPZRNT-CHWSQXEVSA-N 315.404 5.498 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1cc(Cl)ccc1C#N 110262500 ARPKXQPKZGHXEW-UHFFFAOYSA-N 320.219 6.089 30 10 DKEE CCCCCCCCCCNc1ccc(C(F)(F)F)cn1 129414239 LQUBROLBGNSPHB-UHFFFAOYSA-N 302.384 5.653 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(Br)cc1Cl 167764276 QPEGETOVNFECQO-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCN1C(=O)[C@H](CCC)Nc2ccccc21 169883734 BXIRRCOOORYBAN-SFHVURJKSA-N 316.489 5.364 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc(C)cs2)C1 222260590 JSQXCXFHKVOSTF-MJBXVCDLSA-N 308.516 5.288 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2cc(Cl)ccc2Cl)CC1 232783443 WMFANHABNFUIEM-AWEZNQCLSA-N 312.240 5.137 30 10 DKEE CCCCCCCCC(=O)Nc1c(C)cc(Cl)nc1Cl 232918525 XGRMHZLNPAPGEH-UHFFFAOYSA-N 317.260 5.386 30 10 DKEE CCCCCCC[C@H](N)c1c(F)ccc(Br)c1F 232960383 DFNLGZUKDOMYBI-LBPRGKRZSA-N 320.221 5.088 30 10 DKEE CCCCCCCCc1ccc(O)c(N=Nc2cccnc2)c1 254525634 VSOMWFKQRIGRLN-UHFFFAOYSA-N 311.429 6.106 30 10 DKEE CCC(CC)(CS)CSc1cc(Cl)cc(Cl)c1 302671173 LNBCWQZADJUNTA-UHFFFAOYSA-N 309.327 5.822 30 10 DKEE N#CC[C@@H](Sc1ccc(Cl)cc1Cl)c1ccccc1 322496235 DZOIYHXPGPVOCS-CQSZACIVSA-N 308.233 5.740 30 10 DKEE CCCCCCCCCC[C@@H](N)c1occc1Br 696524067 NQCLMPAPGSTCOK-CQSZACIVSA-N 316.283 5.573 30 10 DKEE C[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698869121 RNUGIRLRJODGBD-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCCCCCCCN1CCCc2cc(Br)ccc21 713324731 MXRADNPBVFUDRL-UHFFFAOYSA-N 324.306 5.562 30 10 DKEE CCCCCCCC[C@H](O)c1oc(Br)cc1C 715741811 WBBHETSNEBHSGV-LBPRGKRZSA-N 303.240 5.135 30 10 DKEE FC(F)(F)c1ccccc1C#Cc1ccc(Cl)c(Cl)c1 1614755452 OXVDAYLOTRPWTH-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCC[C@H](O)c1csc(C)c1Br 1902843635 HQKGZGUJQRQLKT-LBPRGKRZSA-N 305.281 5.213 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cccc(OCc2ccccc2)c1 1903138425 ZEHWETCUZURPQT-RTWAWAEBSA-N 309.453 5.258 30 10 DKEE CCC[C@H](CS)CN(Cc1ccccc1)Cc1cccs1 1915086890 OGAJCHGZGQOFRJ-KRWDZBQOSA-N 319.539 5.096 30 10 DKEE C=CCN(Cc1ccccc1)C[C@@H]1CCC[C@H](C(F)(F)F)C1 1962674835 IQBOVXNORPSIQS-SJORKVTESA-N 311.391 5.043 30 10 DKEE C=CCCCCCC[C@@]1(O)CC(C)(C)[C@@H]1OCc1ccccc1 1995169868 VTLPYTIHWGYFCD-PZJWPPBQSA-N 316.485 5.259 30 10 DKEE C=CCCCCCCCCC[C@H](O)[C@@H](C)OCc1ccccc1 1995325095 GCFLWBGUIILKOS-CTNGQTDRSA-N 318.501 5.650 30 10 DKEE C=CCCCCCCCCCC[C@H](N)COCc1ccccc1 1995326977 DAUXNXNIMYBJSO-NRFANRHFSA-N 317.517 5.618 30 10 DKEE CCCC[C@](C)(C=O)Cc1cccc(Cl)c1Br 2000505379 QIIHSTHPBOJPDJ-AWEZNQCLSA-N 317.654 5.040 30 10 DKEE CCCC[C@](C)(C#N)Cc1ccc(Br)cc1Cl 2000515614 RUONTTHZYROFKK-AWEZNQCLSA-N 314.654 5.365 30 10 DKEE C=CCCCC[C@H](NC)c1cccc(Cl)c1Br 2009487025 LEZYOOJQMWHBCN-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](C(=O)O)CCC/C(C)=C\C[C@H]12 2069568548 FVDVQQJLECWRKH-WURDWBHPSA-N 304.474 5.596 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2cccc(Br)c2C)C1 2087379701 DLSQXVBETBHIMW-RHSMWYFYSA-N 323.274 5.086 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccc(Br)cc1 2142442914 AWFFDNLJMWKXHW-KRWDZBQOSA-N 324.306 5.756 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(C(F)F)cs1 2161270708 OUUGWIDVYCBTLP-AWEZNQCLSA-N 303.462 6.087 30 10 DKEE CC#C[C@H](NCCC)c1ccc(-c2ccc(Cl)cc2)s1 2164218446 SEWQXLBNGGYRTO-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1c(Cl)cccc1Cl 2173629854 QRZHPZLMLCVGSW-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE CCCCC#CC[C@H](NC)c1ccc(-c2cccs2)s1 2205875867 BHZLIWJZBXSTLI-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(C)c(Br)o1 2220094365 VSFYQSQOBNCADA-ZDUSSCGKSA-N 314.267 5.267 30 10 DKEE CCCCCCCCCCOc1ncccc1Br 2223215336 KNSQFNJBLFNRAI-UHFFFAOYSA-N 314.267 5.364 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Cl)cc(F)c1Cl 2231222862 RSPBYEQIFWGJGX-HNNXBMFYSA-N 306.252 5.667 30 10 DKEE CC(C)(C)[C@@H](C#N)CSc1nc(-c2ccccc2)cs1 2234273107 RAGCCLQAWYAJQK-ZDUSSCGKSA-N 302.468 5.088 30 10 DKEE C=CCCCCCC[C@H](NCC)c1csc(Cl)c1OC 2284267617 ITNWQVBEFKIMJD-AWEZNQCLSA-N 315.910 5.587 30 10 DKEE CCCCCCCC[C@@H](NC)c1csc(C(C)(F)F)n1 2289380408 FBLBZPVCZMVFQG-GFCCVEGCSA-N 304.450 5.266 30 10 DKEE C=C([C@H](OCCCN)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2293346954 AFANLZDCYBJYOJ-HNNXBMFYSA-N 316.272 5.002 30 10 DKEE CCCCCCCCC[C@@H](N)c1cnsc1Br 2300285122 PHZXOUOZKJONLE-GFCCVEGCSA-N 319.312 5.046 30 10 DKEE CCCCC[C@@H]1O[C@@H]1CC=CCC=CCC=CCCCC(=O)O 2333317126 JBSCUHKPLGKXKH-RBUKOAKNSA-N 320.473 5.428 30 10 DKEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(F)cc1Cl 2360201845 QAZNTMKLOXHOGG-LRDDRELGSA-N 315.885 5.218 30 10 DKEE CC1=C(C)C(=O)[C@H](CCCc2cc(Cl)cc(Cl)c2)CC1 2366836060 JDTURQIZXNRIAY-CQSZACIVSA-N 311.252 5.632 30 10 DKEE O=C(/C=C/c1ccc2c(c1)Cc1ccccc1-2)c1cccs1 39377105 CEVZLOAMQXRRLN-CSKARUKUSA-N 302.398 5.215 30 10 DKEE Cc1cc(C)c(OCC(C)C)c(C(=O)/C=C/c2cccs2)c1 83193843 OKOYBTACVANNAS-BQYQJAHWSA-N 314.450 5.296 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 91884119 ZOSLKWKYZFFGDI-AJQRCPHMSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCCCCC[C@H](O)CCCCC(=O)O 111924047 ADWDLUCFMZILNY-SFHVURJKSA-N 314.510 5.693 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1ccc(CC)s1 115856777 YXNKVJSETAUBOW-SFHVURJKSA-N 309.563 6.492 30 10 DKEE CCCCCCCCC[C@H](N)CSc1cccc(Cl)c1 116829133 IMNLSCQDKJZPDU-INIZCTEOSA-N 313.938 5.900 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ccc(Cl)s1 162512244 MRLOAPPFRYFHCH-HNNXBMFYSA-N 315.954 6.712 30 10 DKEE CC(C)(C)c1ccc(CNc2ccc(C#N)c(Cl)c2)s1 165892198 QRPZCLXPKXUTBX-UHFFFAOYSA-N 304.846 5.183 30 10 DKEE CCSc1cccc(N[C@H](C)c2ccc(C)s2)c1C#N 167578445 PXQORTCLEKWHOV-GFCCVEGCSA-N 302.468 5.213 30 10 DKEE CCCCCCSCCS[C@@H]1CCCCCCC1=NO 263627782 YWBVMKNCEXJOLB-MRXNPFEDSA-N 317.564 5.586 30 10 DKEE Cc1cc(Nc2cc(Cl)cc(Br)c2)ccc1C#N 308354901 QKZHVCHDFUNELD-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC(=O)/C(C)=C\c1ccc(-c2ccccc2Br)s1 310604808 UYWALMFHWREMBR-KTKRTIGZSA-N 321.239 5.170 30 10 DKEE CCO[C@@H]1CCC[C@H](OCCCCCCCCCS)C1 721506222 CVWCNJNBNNHJMS-SJORKVTESA-N 302.524 5.011 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1sccc1Br 1978658293 CSMVZVJFJSNRBO-ZDUSSCGKSA-N 300.265 5.163 30 10 DKEE C=CCCCCC[C@H](O)c1c(Cl)cccc1Br 2003560943 OWXXLMSSCRZIMV-ZDUSSCGKSA-N 317.654 5.272 30 10 DKEE CCCCC#CCC[C@H](NCC)c1ccc(Br)cc1 2138982350 VTXYMTAHJFVAFW-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=CCCCCCC[C@H](N)Cc1cc(Cl)cc(Cl)c1 2141918068 BFSBTACBBQKPQA-INIZCTEOSA-N 300.273 5.390 30 10 DKEE C=C([C@H](NCCC)c1ccc(C(C)(C)C)s1)[Si](C)(C)C 2164205438 IFKXMJCXWVIZTC-INIZCTEOSA-N 309.595 5.520 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1cc(Cl)ccc1Cl 2197153719 ZYIFBJHPDGNMEK-QGZVFWFLSA-N 306.236 5.357 30 10 DKEE C=CCCCC[C@@H](NC)c1sc(C)c(C)c1Br 2215908680 LECXTRXHFDGCHP-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=C(C)CC[C@@H](NCC)c1sc(C)c(C)c1Br 2215910965 SSJBXAICUQCAPR-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)s1 2220093437 RAEMGEQRZDUVAC-GFCCVEGCSA-N 306.302 5.971 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccsc1C(F)(F)F 2235540465 XKTLLFSRERPJSJ-CYBMUJFWSA-N 305.409 5.683 30 10 DKEE CCCC[C@@H](CCC)Nc1c(Br)cccc1C#N 2257481571 GIOGEDJJKCTXQS-CYBMUJFWSA-N 309.251 5.092 30 10 DKEE C=CCCCC[C@H](NCCC)c1csc(Cl)c1OC 2268914024 IOYRUIPIXDWYBK-ZDUSSCGKSA-N 301.883 5.197 30 10 DKEE C=C(C)CC[C@H](OCCN)c1c(Cl)ccc(Cl)c1Cl 2276857800 LGQHNBHMCUJSPX-LBPRGKRZSA-N 322.663 5.020 30 10 DKEE C=CCCCCCCCSc1ccc(CNC)c(Cl)c1 2287078982 KEKZIBDDYCLMBB-UHFFFAOYSA-N 311.922 5.678 30 10 DKEE C=CCCCCC[C@H](OCCN)c1cccc(Cl)c1Cl 2292886169 UNAJDGQDTCZWGK-HNNXBMFYSA-N 316.272 5.146 30 10 DKEE C=CCC(CC=C)[C@H](CSc1ccccc1Cl)NCC 2364068705 CYJCKQGFOGNPTE-INIZCTEOSA-N 309.906 5.179 30 10 DKEE C#CCCCCCCNCc1sc2ccccc2c1Cl 2364157192 AVAXBCASHMNLER-UHFFFAOYSA-N 305.874 5.228 30 10 DKEE C=C([C@H](NCCC)c1ccc(Cl)c(Cl)c1C)C(C)(C)C 2364416486 ZYKSFNYAYADCKI-INIZCTEOSA-N 314.300 5.945 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Cl)cc(Cl)c1 2365070313 JJUDBFHVUJMYOM-BBRMVZONSA-N 310.268 5.084 30 10 DKEE C=CCC(C)(C)[C@H](CCCc1cc(Cl)cc(Cl)c1)NC 2370541874 ZQSSHZFHWWTXKN-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2 20714570 QSMQKHUGSNJSNU-KNKQGSTJSA-N 317.432 5.386 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37153972 OPCLBQXUGUYIPV-LALPHHSUSA-N 302.468 5.107 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)s1 43640086 NDMWYYQIKLDALX-GFCCVEGCSA-N 324.232 5.107 30 10 DKEE CC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccs1 49532232 JVEGGDUSGFCCHK-LBPRGKRZSA-N 310.344 5.202 30 10 DKEE Cc1cc(C)cc(N/C=C\C(=O)c2ccc(Cl)cc2Cl)c1 101485724 GREUPZNJQARSOG-WAYWQWQTSA-N 320.219 5.419 30 10 DKEE CCCCCCCCCOc1ccc(C(=O)C(C)C)cc1N 104313404 PDISDMRRQGQTBU-UHFFFAOYSA-N 305.462 5.237 30 10 DKEE CCCCCCC[C@](C)(NCCC)c1nc2c(s1)CCC2 109690452 BJVUYKAWUFUXJF-SFHVURJKSA-N 308.535 5.207 30 10 DKEE N#Cc1sc(-c2sccc2Cl)c(-c2cccs2)c1N 163120034 FOIMGRHXZIGFDX-UHFFFAOYSA-N 322.867 5.312 30 10 DKEE N#Cc1cc(Oc2cccc(Cl)c2F)ccc1C(F)(F)F 167123813 MBMIVAYBWKAIIC-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc3ccccc3s2)C1 222235079 OPCLBQXUGUYIPV-XUJVJEKNSA-N 302.468 5.107 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc(Cl)ccc1Cl 233124666 GFVJTHXLYLMLJY-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C[C@H]1C[C@@H](Nc2ccc(C#N)cc2Cl)c2ccsc2S1 235703005 HFOLWJSCBGQQJC-LKFCYVNXSA-N 320.870 5.311 30 10 DKEE C(=Nc1ccc2ccccc2c1)c1ccc(-c2ccccc2)cc1 254608006 ZVOBHTMVNUVVGL-UHFFFAOYSA-N 307.396 6.257 30 10 DKEE Clc1ccc(C=Nc2ccc(Cl)cc2Cl)c(Cl)c1 254659269 RRFPPNUZXMNIBU-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE C=C(CC)C[C@H](NCC)c1cccc(OCc2ccccc2)c1 303759923 IBQOMIHRGPFRKH-NRFANRHFSA-N 309.453 5.273 30 10 DKEE C=CCCCCNc1ccc(C(F)(F)F)cc1Br 311206361 MVGSTXSNEUTQLE-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cc(Br)ccc2C)C1 314180237 MGTNKWOUCUCPJH-WMLDXEAASA-N 320.274 5.410 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2cc(Br)ccc2C)C1 317256955 FEDICLFKZBOJHV-YOEHRIQHSA-N 323.274 5.086 30 10 DKEE CCCC(CS)(CCC)CN(C)C[C@H](C)CC(F)(F)F 402539241 ZWGNGZDPEOXBIQ-CYBMUJFWSA-N 313.473 5.023 30 10 DKEE N#Cc1ccccc1[C@@H]1CCN(Cc2ccccc2)c2ccccc21 616675618 MDBAMMUFLNLNDJ-NRFANRHFSA-N 324.427 5.100 30 10 DKEE CCn1cc(C=Nc2cc(Cl)ccc2OC)c2ccccc21 1772743375 QXXVRCZPCKNKKQ-UHFFFAOYSA-N 312.800 5.074 30 10 DKEE CC#CCCCCC[C@H](NCC)c1ccccc1Br 1885238035 UJWVXBWEOHEDQE-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2F)cc1Cl 1893159816 TWUVXENZWPFHJH-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)[C@@H](C)C(C)C 1981291333 DEXYKULBCOZGHJ-IBGZPJMESA-N 317.517 5.319 30 10 DKEE CC1(C)OB(/C=C/c2ccc(-c3ccccc3)s2)OC1(C)C 1994925359 ZXALHJNOBJCIFZ-OUKQBFOZSA-N 312.243 5.060 30 10 DKEE C=C(C)CN(CCCOc1ccc(C)c(C)c1)Cc1ccccc1 2019345167 YGYSXYHXTYXBEC-UHFFFAOYSA-N 323.480 5.151 30 10 DKEE C#CCCCCCNc1cc(Br)c(Cl)cc1C 2023943099 KCZVCMLICLUFIP-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE CC[C@H](c1ccc(C)cc1C)n1nc(C2CCCC2)cc1C#N 2070134018 HZJADJBSXSXLKC-HXUWFJFHSA-N 307.441 5.029 30 10 DKEE CCCCCCCCCC(=O)c1sc(OC)nc1Cl 2107731284 VDYGUHKSRAAUDD-UHFFFAOYSA-N 303.855 5.129 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(F)cc2Br)C1 2112238649 HTBWVXWALKTZTL-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C=CC1(C[C@@H](O)c2cccc(SC(F)(F)F)c2)CCC1 2168028396 MDPHJFPXUAAWOP-CYBMUJFWSA-N 302.361 5.078 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 2181264063 UMOIYLMLEPTDNQ-SECBINFHSA-N 302.723 5.288 30 10 DKEE C[C@H](Nc1ccc(Cl)c(Cl)c1F)c1cccc(C#N)c1 2197897761 IHSCIOKMHZLAHK-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2200839377 OGKJOAKTLIPGFL-CQSZACIVSA-N 305.771 5.495 30 10 DKEE CCCCCCC[C@H](N)c1c(F)cc(F)cc1Br 2218585166 UPLXBYQADFZVBE-ZDUSSCGKSA-N 320.221 5.088 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(Br)cc1C 2221727103 LEBMCEJBVQAUFY-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE C=CCCCCC[C@@H](NCC)c1csc(Cl)c1OC 2268923750 PPUPRVBEZQLPKN-CYBMUJFWSA-N 301.883 5.197 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1[C@@H](C)N 2287080552 SGUHAQISUSKGRI-CQSZACIVSA-N 311.922 5.978 30 10 DKEE COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1Cl 2324548223 OFSMRDRSCGUJQG-UHFFFAOYSA-N 314.812 5.170 30 10 DKEE CCSc1ccc(C(CC)=NOCc2cccc(F)c2)cc1 2330292956 MYBHNFQGQLRGGB-UHFFFAOYSA-N 317.429 5.269 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1cc(Br)cc(C(C)C)c1 2338745498 XFUDHEXPLGRGKW-QGZVFWFLSA-N 322.290 5.341 30 10 DKEE Cc1c(COC[C@@H](CS)C2CCC2)ccc(Cl)c1Cl 2339471858 OKWNHMPSKHOMKW-ZDUSSCGKSA-N 319.297 5.165 30 10 DKEE CCC(=CC(=O)c1c(C)c(C)c(Br)c(C)c1C)CC 2345952178 ODVFXWFCQLLPFF-UHFFFAOYSA-N 323.274 5.612 30 10 DKEE C=CCC(CC=C)Sc1cc(C)sc1CN[C@@H](C)CC 2360375427 OSKKFNDZCFFWCI-ZDUSSCGKSA-N 309.544 5.558 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc2cscc2s1 2365093064 JXNNZRSUHPDFIC-UONOGXRCSA-N 303.496 5.053 30 10 DKEE C[C@@H](/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1 32235980 IKKYRENVJRYEJZ-MXJLDLDKSA-N 309.412 6.173 30 10 DKEE N#C[C@@H](C(=O)c1csc2ccccc12)c1cccc(Cl)c1 42891320 CZIVTSIHIDWJAJ-CQSZACIVSA-N 311.793 5.045 30 10 DKEE Cc1cc(Nc2ccc(C#N)c(Cl)c2)ccc1Br 104008126 MSFRPVZMQCRROY-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCNc1ccc(Cl)cc1C(F)(F)F 110156119 HVFPLTBGNXMFTF-UHFFFAOYSA-N 321.814 6.521 30 10 DKEE N#Cc1cc(Cl)ccc1Oc1ccc(Cl)c2ccccc12 110262728 QHBPECSZIDEUAL-UHFFFAOYSA-N 314.171 5.811 30 10 DKEE CCCCCCCCCOc1cc(Br)ccc1C 228336179 WWVGXMSVNYRVBE-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccoc1Br 232928162 QLWWSAHHMNQKJS-CQSZACIVSA-N 316.283 5.443 30 10 DKEE C=CCCCCC[C@H](NC)c1ccc(Br)c(C)c1 234437072 UVGQJBFITQZTPR-INIZCTEOSA-N 310.279 5.155 30 10 DKEE O=C(C1=CCCCCCC1)c1cc(Br)ccc1F 236216193 GRZAYSIARVNVAJ-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE C[C@H]1C/C(=C/c2cccc(F)c2)C(=O)/C(=C/c2cccc(F)c2)C1 245284728 UILJQKRCZVEALE-CYTZHPSJSA-N 324.370 5.431 30 10 DKEE CCCCCCCCCc1nc2c(Br)cncc2[nH]1 311464536 WQXZYIQMZVSUHW-UHFFFAOYSA-N 324.266 5.014 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1ccc(Cl)cc1Cl 387547664 RMVITTDURZZYKY-INIZCTEOSA-N 316.272 5.015 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(Cl)c(Cl)c1 404280167 QSTLJCMHJVPCCN-UHFFFAOYSA-N 322.707 6.809 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1cc2cscc2s1 693961077 WSKHDQWAPANUCS-LBPRGKRZSA-N 304.827 5.293 30 10 DKEE CCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698443150 IEFPDCJDEPHKEV-QGZVFWFLSA-N 316.445 5.291 30 10 DKEE CC/C(=N\OCc1cccc2ccccc12)c1ccc(C)c(C)c1 821218505 VGLLHCSXYYFHJW-GHVJWSGMSA-N 317.432 5.788 30 10 DKEE CCCCOc1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1 1614706220 NCYAJYRPJINUHU-UHFFFAOYSA-N 319.231 5.572 30 10 DKEE CCCCCCCCCCNC(=O)CCCc1ccccc1C 1868197309 VHWIFUPUDORGCL-UHFFFAOYSA-N 317.517 5.575 30 10 DKEE CCCCCCCCCC(=O)c1cnc(Cl)c(Cl)c1 1917240384 IKFCTRHCWCLGGO-UHFFFAOYSA-N 302.245 5.712 30 10 DKEE C=C([C@](O)(CC)c1ccc(Cl)c(Cl)c1)[Si](C)(C)C 1922958831 BTHAQEXNKTURGH-CQSZACIVSA-N 303.305 5.025 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cccc(OCc3ccccc3)c2)CC1 1985234256 FEYDREODHVGLQP-MRXNPFEDSA-N 306.405 5.195 30 10 DKEE CCc1cc(OC(F)(F)F)c(C(F)(F)F)cc1C(F)F 2060350724 FVPISUQAGDFKLX-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=C([C@@H](NCC)c1cc2sc(C)cc2s1)[Si](C)(C)C 2100324501 JHRGLYYZZWZZOR-OAHLLOKOSA-N 309.576 5.355 30 10 DKEE CCCCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2107809729 RQBYJEQVJIIFIC-ZDUSSCGKSA-N 322.707 6.397 30 10 DKEE C=C([C@@H](NCCC)c1cc2sc(C)cc2s1)C(C)(C)C 2156531170 JHTCMZBMAPYOLT-MRXNPFEDSA-N 307.528 5.914 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H](C)C[C@H](C)C(F)F 2177893373 NXOFGEJBPHKYTR-UONOGXRCSA-N 309.510 5.114 30 10 DKEE FC1(F)CCC[C@H](OCCCCCCCCCS)CC1 2207043495 WYEQVPHCZOSECC-HNNXBMFYSA-N 308.478 5.632 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235756385 JJQPZKCOFFWWLE-YPMHNXCESA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@@H](N)c1scc(Br)c1Cl 2242657664 YXWLQBZKXGLFCO-SNVBAGLBSA-N 324.715 5.524 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(Br)cc1 2259237644 OUJGHCKEJRNOJZ-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=CCCCCCCCSc1cc(C(C)C)nc(Cl)n1 2287065518 NNFKQBAUAZIXKU-UHFFFAOYSA-N 312.910 5.872 30 10 DKEE CCCCCCCC[C@@](C)(O)c1c(F)ccc(C)c1Cl 2360529877 CLSOYLGRKBMFAC-QGZVFWFLSA-N 300.845 5.746 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(Cl)cc1C(F)(F)F 2364084756 XDDPFVWJIAFCIK-UHFFFAOYSA-N 302.723 5.310 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(C)s1)[C@@H]1CC=C[C@H]21 14456730 AZXFEKFCTPYYHC-KKVAFCGZSA-N 323.461 5.448 30 10 DKEE N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 14460238 NEAKMVZDHXILFH-XYJFISCASA-N 306.796 5.038 30 10 DKEE CC(C)c1ccc(/C=N/c2ccc3ccccc3c2)cc1[N+](=O)[O-] 59465302 LKOLPGYRIQABPR-FYJGNVAPSA-N 318.376 5.622 30 10 DKEE Clc1cccc(/N=C2/N[C@H](c3ccccc3)CS2)c1Cl 63001586 ZINGBNMNLINKIM-ZDUSSCGKSA-N 323.248 5.059 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)CC1 86955640 KZDCGNUXVAFHBX-ZBFHGGJFSA-N 304.865 5.619 30 10 DKEE CCCCCCCCCCn1nc(C)c(Br)c1C 109779561 JZBDDMXRLXLSTH-UHFFFAOYSA-N 315.299 5.403 30 10 DKEE C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(C#N)cc1Cl 110258433 JERZXMGGVDQBJZ-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCCCCCC[C@H](CCC(F)(F)F)NN 128546195 QSYVDKNJOLOISN-OAHLLOKOSA-N 310.448 5.472 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1Cc2ccccc2S1 139565602 UHTDNQNRSJHOON-HKUYNNGSSA-N 305.531 5.432 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccc(SC)cc1 157927792 ZLJGBBSOPLDRIQ-LJQANCHMSA-N 307.547 6.200 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(C)c(Br)s1 234435068 LWUXHNLMRNWDDJ-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE C[C@H]1CC([C@H]2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C[C@H](C)C1 382674338 JXYDDHPAQLXUKH-OAGGEKHMSA-N 318.310 5.417 30 10 DKEE N#Cc1cc(F)ccc1Nc1cc(Cl)c(Cl)c(Cl)c1 404275218 RPXUYVGTFRPQDR-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CC(C)(C)CCN[C@H](C)c1cc(F)c(Cl)cc1Cl 701891210 OPTKWDPQOWUGHC-SNVBAGLBSA-N 304.236 5.385 30 10 DKEE CC(C)c1ccc([C@H](C#N)C(=O)c2cscc2Cl)cc1 711549564 AQQASKJJOCZJPX-ZDUSSCGKSA-N 303.814 5.015 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1 1614730762 KXWPMCQLTGPRDV-UHFFFAOYSA-N 302.339 5.403 30 10 DKEE C=CCC(CC=C)c1cc(Cl)cc(Br)c1F 1901011351 QIZKTLZMIBIYSS-UHFFFAOYSA-N 303.602 5.477 30 10 DKEE CCCCCCCCN[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 1939562950 JHJQFOZTEWGRNJ-PMACEKPBSA-N 317.517 5.320 30 10 DKEE C=C1CCC(CC(=O)c2scc(C)c2Br)CC1 1950854522 BHTUAUPZTRLALJ-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=C1CC(Cn2ccc3c(OCc4ccccc4)cccc32)C1 1985519981 MRRCBNVITLHQRD-UHFFFAOYSA-N 303.405 5.187 30 10 DKEE CC#CCCC[C@H](NCC)c1cccc(OCc2ccccc2)c1 2018330343 QEBXIHIROUWQMD-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE CC[C@@H]1CC[C@](C#N)(Cc2cccc(Br)c2C)C1 2027193109 DEXOEHMVVLGIHQ-CZUORRHYSA-N 306.247 5.020 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(F)cc2Br)C1 2112238648 HTBWVXWALKTZTL-INIZCTEOSA-N 324.237 5.241 30 10 DKEE C=CCCC[C@H](Cc1cc(Br)ccc1C)NCCC 2116485499 CWTIHRQBJUODSE-QGZVFWFLSA-N 324.306 5.025 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1ccc(Br)cc1 2141909081 QXAIPEFODPVRDX-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1SCC[C@H]1C 2150856024 IVMJAABCKFCLSE-SQNIBIBYSA-N 300.552 5.800 30 10 DKEE CCc1ccc(C#N)c(Nc2cc(Cl)c(F)c(Cl)c2)c1 2188847112 QPEVALNLKWDHME-UHFFFAOYSA-N 309.171 5.310 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2206900304 SCVPDHPUONDOQR-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE C=CCCCCCCCCC[C@@](C)(N)c1csc(Cl)c1 2207433788 AZTHQAIFJZLISX-QGZVFWFLSA-N 313.938 6.272 30 10 DKEE C=CCCCCCCCCNc1c(C)cc(Cl)cc1Cl 2207449955 SFYJEIWMCXWAIP-UHFFFAOYSA-N 314.300 6.630 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Br)cc1C 2227277427 YEKUCGWGUZBYJT-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1ccc(SC)s1 2235540199 URLKADDZVIULTQ-HNNXBMFYSA-N 311.560 6.037 30 10 DKEE SCCCCCCCN(Cc1ccccc1)C1CCCC1 2242390921 VTTNECJHYFGQMM-UHFFFAOYSA-N 305.531 5.312 30 10 DKEE C=C(CC)C[C@@H](N)c1c(Cl)cc(Br)cc1Cl 2243539193 SAELZYGCICICKF-LLVKDONJSA-N 323.061 5.112 30 10 DKEE CC(C)CCC[C@H](C)CCC1(C#N)CCC2(CC1)OCCO2 2272285242 YXSDGZVQFHKPIX-KRWDZBQOSA-N 307.478 5.056 30 10 DKEE Cc1cc(NCc2cc(Cl)cc(Cl)c2)cc(C)c1C#N 2280574088 SJPADHOBTWSEHP-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1sc(Cl)cc1OC 2295738190 BJYRHOMSKYTLIB-MRXNPFEDSA-N 318.910 5.758 30 10 DKEE CCCCCCCC[C@@H](N)c1csc(C)c1Br 2303639268 XKAXPTCDSZWJME-CYBMUJFWSA-N 318.324 5.569 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1c(Cl)cccc1Br 2304032276 HAEPVINFIIHYEH-ZIAGYGMSSA-N 316.670 5.095 30 10 DKEE CCCCCCCCC(=O)c1c(Cl)sc(Cl)c1C 2314491925 QTOYFKLYCOAJJC-UHFFFAOYSA-N 307.286 6.297 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(C)c(Br)c(C)c1 2344384707 XTRZKNIDUTWEQZ-MRXNPFEDSA-N 324.306 5.319 30 10 DKEE FC1(F)C[C@]1(CS)CSCCCCCCCC1CC1 2351857888 PBMSHCMXIZQYFV-AWEZNQCLSA-N 308.503 5.425 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2Br)C1 37156608 IIUREIYRVMPGLC-YWPYICTPSA-N 324.287 5.260 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 50039192 FMAFXBVGGGCODJ-CQSZACIVSA-N 318.203 5.046 30 10 DKEE N#C[C@@H](CCCOc1ccccc1)c1cccc2ccccc12 57686198 OGDJORLOXGAGNB-GOSISDBHSA-N 301.389 5.306 30 10 DKEE C=C(C)COc1ccc2ccccc2c1CN[C@@H]1CCC[C@H](C)C1 66117377 XOSSRBQEIARKSK-PKOBYXMFSA-N 323.480 5.463 30 10 DKEE CC(C)=CCC/C=C(/C)CC[C@@]1(C)C=CC2=C(CCCC2=O)O1 83259526 LMGHOOQOKDPHHC-YWUCYRDRSA-N 314.469 5.812 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccc(F)c(Cl)c1 109748866 MIACFBLCWJERRV-GOSISDBHSA-N 313.888 6.270 30 10 DKEE CCCCCC[C@](C)(C#N)Nc1ccc(Br)cc1 110028630 LDPSSSWOFCHDJD-OAHLLOKOSA-N 309.251 5.114 30 10 DKEE CCCCCCCCCCCC(=O)Nc1c(C)cc(C)cc1C 110129191 GGYDUWSEEQZATK-UHFFFAOYSA-N 317.517 6.471 30 10 DKEE Cc1cc(Nc2ccc(C#N)cc2Cl)ccc1Br 110252105 HLCBBFGVVXUQMJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@@H](O)C1CCC(C(F)(F)F)CC1 135354671 ZHVXFRZRMFMBRD-UYSNPLJNSA-N 308.428 5.857 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ncc(Cl)cc1Cl 159714233 KPSQPSAKXUTDOK-OAHLLOKOSA-N 317.304 5.790 30 10 DKEE SC[C@@H](CSCc1ccc(Cl)cc1)c1ccccc1 166586816 AIJFOZBEYWKCTK-HNNXBMFYSA-N 308.899 5.287 30 10 DKEE CCCCCCCCCC[C@H](N)c1scc(C)c1Cl 232963898 QAFWOLHWWFAQGA-AWEZNQCLSA-N 301.927 6.241 30 10 DKEE CC(=O)c1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1 257351059 BXAGLCSVNRUPNX-UHFFFAOYSA-N 323.395 5.946 30 10 DKEE CC(C)C[C@H](/N=C(/O)C[C@@H]1CCCCC(O)=N1)c1cccs1 328667041 KQLHRIVOQXMVSX-KBPBESRZSA-N 322.474 5.081 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CC(C)(C)C)c1 698471190 SVIXWTGLLPFUNG-INIZCTEOSA-N 316.445 5.065 30 10 DKEE CCC(C)(C)C(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 701268994 VBLQCHJYFMWPQW-JLHYYAGUSA-N 317.429 5.052 30 10 DKEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCCc2ccccc21 719641410 YUDYOTAJIDTWOX-PGRDOPGGSA-N 319.448 5.027 30 10 DKEE CCCCCCCCNC(=O)c1ccccc1SCC(C)C 1859575198 MRHIRBTWZBNYIY-UHFFFAOYSA-N 321.530 5.525 30 10 DKEE CCCCCCCCNC(=O)CCCc1ccc(C)c(C)c1 1859575354 YGMFKGTVKKQLMN-UHFFFAOYSA-N 303.490 5.103 30 10 DKEE CCCCCCCCCCO[C@H](C)CNCc1ccccc1 1914624686 VNIYNOSJCNDHMS-LJQANCHMSA-N 305.506 5.322 30 10 DKEE CCCCCCCCN(Cc1ccccc1)C[C@@](C)(O)CC 1915169834 LFWIOTNJOKNQAQ-FQEVSTJZSA-N 305.506 5.010 30 10 DKEE CC[C@](C)(C#N)[C@H](O)c1ccc(-c2ccccc2Cl)s1 1921043883 AXRCIQBQQPHVQE-HZPDHXFCSA-N 305.830 5.042 30 10 DKEE C[C@H](COCc1ccccc1)C[C@]1(C=O)CCCCC1(C)C 1962015026 FNUULLKRWCAHFH-PXNSSMCTSA-N 302.458 5.015 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C(C)(C)C 1975570904 MKIWRNSWFSEOQL-IBGZPJMESA-N 316.445 5.065 30 10 DKEE C=C(F)C[C@H](NCCC)c1cccc(Br)c1Cl 2011354500 OHIXCWFIJMGNHQ-LBPRGKRZSA-N 320.633 5.017 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(F)cc1Br 2085840596 ZTIGMJDBCZEAQZ-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE CCCCCC#CC[C@@H](N)c1cc(C)c(Br)c(C)c1 2138964482 WPONNVRHUOGFOP-MRXNPFEDSA-N 322.290 5.040 30 10 DKEE CC[C@@H]1CC[C@](C#N)(Cc2csc(-c3cccs3)n2)C1 2144694556 KMLWCMXUEBKSSS-MLGOLLRUSA-N 302.468 5.134 30 10 DKEE C[C@](N)(CC#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2154707884 BFKRPYCYKYETRT-KRWDZBQOSA-N 310.268 5.141 30 10 DKEE CCCC[C@](C)(C#N)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 2164475555 PGVGYPQHWZGWIW-CVEARBPZSA-N 314.256 5.311 30 10 DKEE CC(C)C(CCOCC1(CS)CCCCCC1)C(C)C 2189250152 BEGNKLYQIDFAJD-UHFFFAOYSA-N 300.552 5.592 30 10 DKEE CCC(CC)(CS)COc1c(C)cc(Cl)cc1Cl 2217709698 VSGNUOBNWXYEAX-UHFFFAOYSA-N 307.286 5.417 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(Cl)c(C(F)(F)F)c1 2236292174 MEIJVCBWXYPRQM-ZDUSSCGKSA-N 309.734 5.273 30 10 DKEE CCCCCCCCCOC(=O)c1cnc(Cl)c(Cl)c1 2239551410 GOWWOMMQCVIUJU-UHFFFAOYSA-N 318.244 5.296 30 10 DKEE CCCCCCC[C@@H](O)c1ncc(C(F)(F)F)cc1Cl 2239928523 QKZLGGKIRXYYBR-GFCCVEGCSA-N 309.759 5.148 30 10 DKEE CC(C)(C)C#CC=CC[C@H](N)c1scc(Cl)c1Cl 2256766354 YGLGQGJZVVKLPQ-NSHDSACASA-N 302.270 5.051 30 10 DKEE CCCCCCCCCOc1cc(Cl)sc1C(=O)O 2272679744 CIBJNPSQMKXACF-UHFFFAOYSA-N 304.839 5.229 30 10 DKEE CCCC[C@@H](CC)CSCCCCCCCCCS 2278370730 ADKPPHNKYJAWNH-QGZVFWFLSA-N 304.609 6.597 30 10 DKEE C=CCCCCCCCSC[C@H](NC)c1ccc(C)s1 2287195221 WXJQRIJOMZWFQX-INIZCTEOSA-N 311.560 5.577 30 10 DKEE O=C(C=Cc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 2294300020 KXZODUXKLAXGEN-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE CCC(=NOCc1cccc(Cl)c1)c1ccc(F)c(C)c1 2330277644 MSBVTYGANKSDDC-UHFFFAOYSA-N 305.780 5.118 30 10 DKEE C=CCC(CC=C)SC[C@H](NCC)c1ccc(Cl)s1 2335095513 BUHUZQJGDOLDNE-ZDUSSCGKSA-N 315.935 5.306 30 10 DKEE CC(C)C[C@H](CS)CSCCCCCCCC1CC1 2353847918 DWSZBMBUWKIBQN-QGZVFWFLSA-N 302.593 6.062 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)c(F)cc1CNCC 2362430586 KWQGNOIMAOQJSG-UHFFFAOYSA-N 313.869 5.202 30 10 DKEE COc1ccc2ccccc2c1/C=C1\CCc2ccccc2C1=O 1072680 CCKGHZJIVCKRGM-SAPNQHFASA-N 314.384 5.061 30 10 DKEE Cc1cc(OCCCCCCCCCS)ccc1Cl 97799629 ZAUFGIBVLRUVOB-UHFFFAOYSA-N 300.895 5.688 30 10 DKEE CCCCCCCOc1ccc([C@H](C)NCCC)cc1Cl 110364919 KOIABAHJBQCKSF-HNNXBMFYSA-N 311.897 5.750 30 10 DKEE Cc1cc(N[C@H](C)c2ccc(Cl)cc2Cl)ccc1C#N 126319503 BAJPURDPQSQCNS-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@H](NCCC)c1sccc1Cl 126837986 DJKCFYCSPFCHBE-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE CSc1cccc(Nc2ccccc2C(F)(F)F)c1C#N 136606581 ZVUULSIMRRPEES-UHFFFAOYSA-N 308.328 5.043 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cccc(Cl)c1Cl 158095393 QISYYZZWYIHZGN-MRXNPFEDSA-N 316.316 6.395 30 10 DKEE N#Cc1ccc(COc2cc(Cl)cc(Cl)c2)c(Cl)c1 162983451 HTYLUVZUJSZRMU-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE C[C@H](Nc1ccc(CC#N)cc1)c1cccc(Cl)c1Cl 235548932 UZJWTEFUUVUTMU-NSHDSACASA-N 305.208 5.233 30 10 DKEE C[C@H](Nc1cccc(F)c1C#N)c1cccc(Cl)c1Cl 235551966 WCIKTTYLYBFTPM-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C(/C=C\c1ccccc1)=Nc1ccccc1-c1nc2ccccc2[nH]1 254398356 NPMDEOOWCOJMPR-ILEXUSGASA-N 323.399 5.646 30 10 DKEE CC(C)S[C@@H]1CCCN(CCCCCCCCCS)C1 383044512 LSPDMUIHMGKWGE-QGZVFWFLSA-N 317.608 5.253 30 10 DKEE CCCCCCCCCCCCSC(=S)SCC 605730500 IMWPYKLXQPDCSZ-UHFFFAOYSA-N 306.606 6.679 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C(CC)(CC)CC 698407931 OTJDNVYGEGUKGI-GJZGRUSLSA-N 310.482 5.131 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CCC(C)C)c1 698467913 IWKFFSSCYZQITO-QGZVFWFLSA-N 316.445 5.065 30 10 DKEE C=CC(C)(C)CCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 701921593 YEEPIBHTCOPIGQ-JTQLQIEISA-N 304.236 5.385 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1cc2cscc2s1 703296777 WPPRNJONUUEBJZ-GFCCVEGCSA-N 304.827 5.293 30 10 DKEE CCCCCCC[C@H](O)c1ccc(C)c(Br)c1C 719611504 HISBETXFVVFFFM-HNNXBMFYSA-N 313.279 5.460 30 10 DKEE CCCCC[C@@H](CC)N(C)c1cccc(Br)c1C#N 1879294225 GJXPMJVXKBDZGT-CYBMUJFWSA-N 323.278 5.116 30 10 DKEE CCCCCCCC[S@](=N)(=O)Cc1ccc(Cl)cc1 1917911852 OUCGNCPHQSAXHQ-IBGZPJMESA-N 301.883 5.247 30 10 DKEE CCCCCCCCCC[C@]1(N)CC[C@H]1OCc1ccccc1 1939548658 ZKNSRGRGYKZBTE-RTWAWAEBSA-N 317.517 5.594 30 10 DKEE CCC1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC)CC1 1980213476 ZDDALOQUEXLQLO-RDHHWEPZSA-N 322.493 5.131 30 10 DKEE CC#CCCCCNc1ccc(OCc2ccccc2)cc1C 1990955764 MMFYFHWAZRQJPK-UHFFFAOYSA-N 307.437 5.180 30 10 DKEE ClC(=NC(=C(Cl)Cl)c1ccccc1)c1ccccc1 2069604581 HEMRQORQGOKPHU-UHFFFAOYSA-N 310.611 5.476 30 10 DKEE CCCCCCCC[C@H](NC)c1cc2sc(C)cc2s1 2156528508 MJWDRLJTSSRZOJ-AWEZNQCLSA-N 309.544 6.282 30 10 DKEE C=CCC[C@H](C)[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2163999156 NIOXCBNNVIPONN-YVEFUNNKSA-N 305.874 5.671 30 10 DKEE CCCCCCCCC[C@@H](NC)c1c(Cl)cncc1Cl 2164013420 SXMGSBFPUBTLIP-OAHLLOKOSA-N 317.304 5.790 30 10 DKEE C=C1CCC(C[C@H](N)c2cc(-c3cccs3)cs2)CC1 2164044070 LWYUQWSMPCAGNP-HNNXBMFYSA-N 303.496 5.613 30 10 DKEE CC1(C)C[C@@H](C(F)F)CN1CCCCCCCCCS 2193394840 MMJVXHOJGKDEOQ-CQSZACIVSA-N 307.494 5.013 30 10 DKEE C=CCCCCCCCC[C@H](N)c1sc(OC)nc1Cl 2207427524 NKULPMMKBLFXRV-LBPRGKRZSA-N 316.898 5.112 30 10 DKEE CCCCCCCCCOCc1cc(Br)cs1 2216954207 JQPZKZVLZLWQMY-UHFFFAOYSA-N 319.308 5.778 30 10 DKEE CO[C@@H](CSCC1(CS)CCCCC1)CC(C)(C)C 2271705301 SROQTUPANKBJNI-CQSZACIVSA-N 304.565 5.051 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc(C(F)F)cs1 2295592912 WWZSOACEQDKOTK-MRXNPFEDSA-N 304.446 6.034 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)c(O)c(Cl)c1 2296282995 BEQLPBAZGWJWRX-HNNXBMFYSA-N 318.288 5.840 30 10 DKEE C=CCC(CC=C)S[C@@H](c1ccc(Cl)cc1)[C@@H](N)CC 2360334977 XKQWSAWQIPTUTG-IRXDYDNUSA-N 309.906 5.372 30 10 DKEE Cc1oc(C)c(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c1C 87199349 JXTMLAFTNKOYTI-LLVKDONJSA-N 322.191 5.002 30 10 DKEE CC(C)c1ccc(SCC2(CS)CCCCCC2)cc1 94588798 VHQDDYBMMICPNV-UHFFFAOYSA-N 308.556 6.173 30 10 DKEE SCCCCCCCCCSc1nc2ccccc2o1 97800106 BWKRERHORPIHSJ-UHFFFAOYSA-N 309.500 5.580 30 10 DKEE CCCCCCCn1c(-c2ccc(C)cc2C)nc2ccccc21 102162052 VDRFDUBCNCOKFF-UHFFFAOYSA-N 320.480 6.291 30 10 DKEE CCCCCCCC[C@@H](CSc1ccc(F)cc1)NCC 117402973 UXUXXCMKQLVREZ-KRWDZBQOSA-N 311.510 5.647 30 10 DKEE CCCCCCCCCCCC[C@H](NN)[C@H]1CCCCS1 130146834 WYDWTAZPUMYBBZ-ZWKOTPCHSA-N 314.583 5.415 30 10 DKEE CCCCCCCCCC[C@H](Cc1ccsc1)NCCC 143438711 PCJXNPDYVYICRN-LJQANCHMSA-N 309.563 6.190 30 10 DKEE Cc1ccc(-c2csc(N/N=C\c3ccccc3C)n2)c(C)c1 169964011 PPGYVWSMPFJHMR-JAIQZWGSSA-N 321.449 5.181 30 10 DKEE CCCCCCCC#CCCCCCCCO[C@H]1CCCCO1 207139159 YKVZYOYAJZOFOO-OAQYLSRUSA-N 322.533 6.234 30 10 DKEE C=CCCCCC[C@@H](O)c1cccc(OCc2ccccc2)c1 303946060 OGGWIUWDRIAVGJ-OAQYLSRUSA-N 310.437 5.436 30 10 DKEE Cc1nc(Oc2cc(Cl)c(Cl)cc2Cl)ccc1C#N 312026329 XLZOJTNVHPTMES-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE CCCCCCCCC[C@H](N)Cc1ccc(Br)o1 378931870 XHDCYSVTTUPSQQ-ZDUSSCGKSA-N 316.283 5.053 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)[C@@H](C)C2CC2)C1 385765489 ALXFOBNHBACMGN-NLEAXPPASA-N 310.485 5.006 30 10 DKEE CCCCCCCCCC[C@H](NN)c1csc(Cl)c1 393477602 FZVOSGSYZDQZTI-AWEZNQCLSA-N 302.915 5.437 30 10 DKEE Cc1cc(Cl)c(NC[C@@H](C#N)C2CCCCC2)cc1Cl 397185666 JDPMNTAQODBBTP-CYBMUJFWSA-N 311.256 5.434 30 10 DKEE C=CCCCCCCN[C@@H](C)c1c(Cl)cccc1Cl 401023402 SSAKLVFJDMOZAE-ZDUSSCGKSA-N 300.273 5.781 30 10 DKEE C/C=N/Oc1cccc(CCCCCCCCCCCC)c1O 585668674 ZYPONWLZUPBRCZ-IPBDZQFASA-N 319.489 6.240 30 10 DKEE CCCCCCCCC[C@H](O)c1ccsc1Br 698588373 WWCMRXDZHHPATJ-ZDUSSCGKSA-N 319.308 5.685 30 10 DKEE CCCCCCCCC[C@H](N)c1ccsc1Br 698659794 CIYKNHVAUNZXAM-ZDUSSCGKSA-N 318.324 5.651 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1cccc(Cl)c1Cl 822116520 YWCUFBZXRYSACR-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C[C@@H]1CC[C@@](C#N)(Cc2sc(Cl)cc2Br)C1 1903682857 KNFWVCPJSXGGMH-PELKAZGASA-N 318.667 5.036 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccccc1CNCC(C)C 1914969140 ZQYZBEDEKMKCIJ-UHFFFAOYSA-N 322.496 5.015 30 10 DKEE C[C@](O)(c1cc(Cl)sc1Cl)C1(C#N)CCCCCC1 1921083696 QFXHQTGACQNPLI-ZDUSSCGKSA-N 318.269 5.127 30 10 DKEE C=CCC[C@H](C)N[C@@H](C)c1cc2cc(Br)ccc2o1 2110808004 OKVOFJLTRPZBIC-RYUDHWBXSA-N 322.246 5.201 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(Br)cc1C 2141915129 YISFKBCIKXTFDB-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=CCCCCC[C@H](N)c1cc(Cl)ccc1OC(F)F 2164039889 UCYFOSJMDWAADZ-ZDUSSCGKSA-N 303.780 5.078 30 10 DKEE C=C1CCC(C[C@@H](N)c2cc(-c3cccs3)cs2)CC1 2164044071 LWYUQWSMPCAGNP-OAHLLOKOSA-N 303.496 5.613 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1cc(Cl)sc1Cl 2223557359 LHNUIRVVFZMIFO-WDEREUQCSA-N 306.302 5.178 30 10 DKEE C[C@H](NCC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1Cl 2230509259 QQBMOSNOCWYAJW-JTQLQIEISA-N 318.675 5.347 30 10 DKEE C=C(C)CCCC[S@@](=N)(=O)c1cc(Cl)cc(Cl)c1 2259175263 CICUSOACDLPWMV-GOSISDBHSA-N 306.258 5.145 30 10 DKEE C=CCCC[C@H](OCCN)c1c(Cl)ccc(Cl)c1Cl 2276120088 MTXZPEMHIPSWPT-LBPRGKRZSA-N 322.663 5.020 30 10 DKEE CCCCCCCNc1ccc(C)c(Br)c1F 2307574623 YHCHJBVWPQAKHP-UHFFFAOYSA-N 302.231 5.279 30 10 DKEE C=CCC(CC=C)Nc1ccc(Br)c2ccccc12 2338727893 OUIDZHPAZKJSCW-UHFFFAOYSA-N 316.242 5.535 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cc(C)cc(Br)c1 2344381477 VEMTWGFUOAEGCA-INIZCTEOSA-N 324.306 5.401 30 10 DKEE Cc1c([C@H](O)[C@]2(C#N)CCCC2(C)C)ccc(Cl)c1Cl 2366024719 PTFVINLWMUZGDF-GOEBONIOSA-N 312.240 5.055 30 10 DKEE N#Cc1cc2c(nc1SC/C=C\c1ccccc1)CCCCC2 5785442 KNIUENWIAOJMDM-YFHOEESVSA-N 320.461 5.028 30 10 DKEE C[C@H](Nc1cccc(OCC#N)c1)c1cc(Cl)ccc1Cl 37069559 JBHCVEBJSILTNS-NSHDSACASA-N 321.207 5.069 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 37937312 RYAYLWMULAHZTH-CQSZACIVSA-N 311.599 5.324 30 10 DKEE CCCCCCCCN[C@H]1CCSc2ccc(Cl)cc21 59141734 XRHCARLWCCYXPE-INIZCTEOSA-N 311.922 5.827 30 10 DKEE CCOc1c(C(C)(C)C)cc(C[C@@H](C)CS)cc1C(C)(C)C 107630865 PJFIFOKPXJLBKN-CQSZACIVSA-N 322.558 5.789 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Br)cc1F 109753590 TUYRIUJEOKFIRV-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE Cc1cc(C#N)ccc1N[C@H](C)c1ccc(Cl)cc1Cl 203441869 MGARQVMPCDZJRM-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=CCC(=C)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 214409911 LTZWGGKLOAXUOR-NVXWUHKLSA-N 301.430 5.021 30 10 DKEE CCC[C@](C#N)(Nc1ccc(Br)cc1)C1CCCC1 313485033 WNROVLCYXDYGEN-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Sc1ccc(Cl)cc1Cl 322709373 PMBTUAVCLZRGOU-ZWNOBZJWSA-N 300.254 5.558 30 10 DKEE C=CCCCCN[C@H](C)c1ccc(Br)cc1Cl 383347241 ZDKTZFZRJZKBEP-LLVKDONJSA-N 316.670 5.109 30 10 DKEE Cc1ccc(CSc2ccc(Cl)cc2Cl)cc1C#N 701848591 QVOXQAUJVLIERW-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CCCCCCCNCc1ccc(Br)cc1Cl 703757213 RCSDXHQRKJTUGU-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(N(CC(C)C)C(=O)OC(C)(C)C)CC1 710764695 JIMOBCLQIRXMRG-QFBILLFUSA-N 322.493 5.132 30 10 DKEE CCCCCCCC[C@@H](C[C@H](C)COCc1ccccc1)NC 719137008 SVWWGPOKXIBFGM-FPOVZHCZSA-N 319.533 5.568 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1ccc(SC(F)(F)F)cc1 829178582 GKDLFZXWJHHFEV-JTQLQIEISA-N 302.365 5.039 30 10 DKEE O=C(c1ccccc1)c1ccc(N=Cc2ccc(Cl)cc2)cc1 1084443128 RWSVOIRUQOQYKQ-UHFFFAOYSA-N 319.791 5.322 30 10 DKEE CCCCCCCc1cc(CCCCC)cc(CCCCC)c1 1848434871 ACMPAIVWPWXRJY-UHFFFAOYSA-N 316.573 7.665 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@](C#N)(CC)C1CCCCC1 1975997217 HYFGKZVVVNHQAN-DNVCBOLYSA-N 322.493 5.275 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C1CCCCC1 1990777791 CYPFTBOTGPPAJN-UHFFFAOYSA-N 315.545 6.572 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Br)ccc1Cl 2007984628 SVBGZTYSCRLEEN-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](C)c1ccc(Br)cc1 2045996700 DLWIAHPFSMJXNF-XJKSGUPXSA-N 308.263 5.663 30 10 DKEE C=CCCCC[C@H](NCCC)c1cccc(Br)c1 2050513891 VAHWOGLXXRUUBF-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=CC1(C[C@H](NC)c2c(Cl)ccc(Cl)c2Cl)CCC1 2111719320 CTMZAXZBYMZCIO-LBPRGKRZSA-N 318.675 5.654 30 10 DKEE C[C@H](Nc1ccc(Br)cc1C#N)C1CCCCCC1 2116849147 PQZVQGHHCHXFMF-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=CCCCC[C@H](N)c1ccc2cc(Br)ccc2c1 2123088526 KFZAWLFXISHCTL-KRWDZBQOSA-N 318.258 5.349 30 10 DKEE CCCCCC#CC[C@H](N)c1ccc(C)c(Br)c1C 2138980523 DSQLREHEJFXIEA-INIZCTEOSA-N 322.290 5.040 30 10 DKEE C=CCCCCCC[C@](N)(CC)c1cccc(Br)c1 2141914125 OLYFEWOXYHASRM-QGZVFWFLSA-N 324.306 5.540 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](O)c1csc(Cl)c1 2154438519 BQVBHHSDZXVYLH-INIZCTEOSA-N 316.894 5.535 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ncc(SC)s1 2164128068 ISGBPCCGIMMYLU-AWEZNQCLSA-N 314.564 5.656 30 10 DKEE C=C([C@@H](NCCC)c1scc2c1CCCC2)[Si](C)(C)C 2187115455 ADNDBDZSBAAXOS-MRXNPFEDSA-N 307.579 5.101 30 10 DKEE CCCN[C@H](C)c1ccc(-c2ccc(Cl)c(C#N)c2)s1 2197931569 JSRGODPMVANVMJ-LLVKDONJSA-N 304.846 5.001 30 10 DKEE Cc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1C#N 2199346894 XSBDRABSWGRRBJ-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Cl)c(OC)c1F 2203415488 CLGBVCDOERVCMI-AWEZNQCLSA-N 302.817 5.272 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1OC 2203436442 IHBJQWIUXJXUQL-AWEZNQCLSA-N 318.288 5.623 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1cc(Cl)sc1C 2206893061 WUOSTWKRCUSXCA-MRXNPFEDSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCCN(C)[C@@H]1CC[C@H]1OCc1ccccc1 2211146506 QVHCLXKPNLLRMF-NHCUHLMSSA-N 315.501 5.193 30 10 DKEE CCN[C@@H](C#CC(C)(C)C)c1ccc(-c2cccs2)s1 2233782696 PXHVHNXERKRYJR-ZDUSSCGKSA-N 303.496 5.177 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cc2sccc2s1 2235540155 UHVWCSQAXLVWOP-CYBMUJFWSA-N 308.516 5.384 30 10 DKEE C=C(C)CCCC[S@](=N)(=O)c1c(Cl)cccc1Cl 2259241520 MNYPLQUTCFJUDD-SFHVURJKSA-N 306.258 5.145 30 10 DKEE CC(C)(C)C(Nc1ccc(C#N)cc1Br)C(C)(C)C 2266820701 AGRCHSRGZFIPSP-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE CC1(C)CCC[C@](C)(Nc2c(Br)cccc2C#N)C1 2269701154 GJHHNMVOGCWWSY-INIZCTEOSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)CC1CC(C)(C)C1 2283799763 PNOPCVLJGOLRCC-HXUWFJFHSA-N 301.540 5.610 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1cc(Cl)ccc1Cl 2289855512 SRZJWDFCFKNXHZ-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE C[C@H]1CC[C@H](CSc2ccc(Br)cc2C#N)CC1 2313842189 JQZSRLBGDPHLTQ-HAQNSBGRSA-N 324.287 5.239 30 10 DKEE CCOc1ccccc1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322836631 BJIZMPZVONXXDE-UHFFFAOYSA-N 308.421 5.215 30 10 DKEE CCCCCCCOc1ccc([C@H](C)NCC(C)(C)C)cc1 100047770 JIOBKGLYCFWTHR-KRWDZBQOSA-N 305.506 5.733 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(O[C@@H](C)CC)cc1 100048370 YGIVYYRRJNCYFX-ROUUACIJSA-N 305.506 5.875 30 10 DKEE N#CC1(NCc2cccs2)CCCCCCCCCCC1 110029110 VWVQAPQUOCGEHM-UHFFFAOYSA-N 304.503 5.405 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(Cl)cc1OC 158967113 VQZIDCYZQDGQKV-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE CC(C)(C)c1ccc([C@@H](C#N)Nc2ccccc2Cl)s1 166124979 UHYTUMGRXJAAJN-CYBMUJFWSA-N 304.846 5.376 30 10 DKEE CCCCCCC[C@H](NCC)C(C(F)(F)F)C(F)(F)F 232928869 SOKRHEDJQBDOJF-JTQLQIEISA-N 307.322 5.066 30 10 DKEE C=CCCCCC[C@H](Cc1ccc(Br)cc1)NCC 233602950 JTELLWMURNHFLE-QGZVFWFLSA-N 324.306 5.106 30 10 DKEE CC(C)c1cccc(C(C)C)c1N=Cc1ccc2c(c1)OCO2 254509856 PPQZTRHYOZNJOA-UHFFFAOYSA-N 309.409 5.413 30 10 DKEE CC[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698913748 FOBZVSVMYJWOCH-IUODEOHRSA-N 322.836 5.020 30 10 DKEE CCCCCCCNCc1ccc(Br)c(Cl)c1 703755987 IGQIOKSRSCWJPJ-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE CSc1sc2cccc(CC#N)c2c1SC(F)(F)F 725318274 BUCASJZFPDMQMU-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C/C(=N\OCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 1857936279 FARARYTWJJVQDR-KGENOOAVSA-N 313.828 5.160 30 10 DKEE C[C@@](N)(CC#CC1CCCCC1)c1cc(Cl)sc1Cl 1886684087 HXDOGDHDENQIPJ-OAHLLOKOSA-N 316.297 5.203 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C[C@@](C)(O)CC 1915188018 VZRLCPYJBYNQIY-NRFANRHFSA-N 319.533 5.400 30 10 DKEE C=CCCC[C@@H](NCC)c1cscc1OCc1ccccc1 1934839354 QZCPWKXQXDMNKD-GOSISDBHSA-N 315.482 5.334 30 10 DKEE C#C[C@H](c1ccccc1)N(Cc1ccccc1)C1CCCCC1 1990746851 DAUGELKQBFZYRK-JOCHJYFZSA-N 303.449 5.196 30 10 DKEE C=CCCCCCC[C@@H](CCOCc1ccccc1)NCCC 1995169759 URRVJAAVQVCUIF-NRFANRHFSA-N 317.517 5.488 30 10 DKEE C=CCCCCCCCCC[C@@H](O)[C@H](C)OCc1ccccc1 1995325097 GCFLWBGUIILKOS-PZJWPPBQSA-N 318.501 5.650 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccccc1[C@@H](C)NCCC 2013174301 QIMIJCRRKCQCAR-LJQANCHMSA-N 322.496 5.330 30 10 DKEE C=CCCCCNc1cccc(C(F)(F)F)c1Br 2059117423 BXVFSNREKYYHLI-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE C=CCCCCCCC(=O)c1ccc(Br)c(C)c1 2085845867 AJNBYLAVFUWVMU-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCCCC2(C)C)cc1Br 2117014028 NQFGPNROGLTESF-QGZVFWFLSA-N 320.274 5.410 30 10 DKEE C#CCCCC[C@@H](NCC)c1cc(-c2cccs2)cs1 2173495806 WSUTWFZAGZPTNO-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 2235513380 JZRZGOXJBWBOLM-OAHLLOKOSA-N 316.272 5.526 30 10 DKEE C=CCCCCCCC[C@@]1(N)C[C@H](C)Sc2sccc21 2235525023 WVGAUOXRVBQNQD-WMLDXEAASA-N 309.544 5.703 30 10 DKEE C=C[C@@H](CC)OC[C@@H](NCCC)c1c(Cl)cccc1Cl 2239492342 JDUXADQSGDGOBE-SWLSCSKDSA-N 316.272 5.015 30 10 DKEE FC(F)c1cccc(NCCCC(F)(F)C(F)(F)F)c1 2240413176 DSCYZWAANKFPCE-UHFFFAOYSA-N 303.221 5.014 30 10 DKEE CCc1cc(Cl)ccc1Nc1cc(Cl)c(F)cc1C#N 2240495811 QQRJYJBYPHKNDV-UHFFFAOYSA-N 309.171 5.310 30 10 DKEE C#CCCCC[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2265948375 WATFAHRSHYXHIV-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE C=C[C@@H](CCCCC)OCc1c(Cl)nc(Cl)nc1Cl 2266702211 ODKSGMVTLDGXGO-VIFPVBQESA-N 323.651 5.088 30 10 DKEE CCN[C@@H](CC=CC#CC(C)(C)C)c1cc(C)c(Cl)s1 2284103187 NRZZBESXJQABBB-AWEZNQCLSA-N 309.906 5.356 30 10 DKEE CC(C)(C)c1cc(Br)ccc1OCCCCCC#N 2341061797 MQSQYYIHMSTZMB-UHFFFAOYSA-N 324.262 5.209 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1c(Cl)cccc1Cl)NCC 2344377792 KCIDZPMEXGIKSS-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE Cc1c(Cl)ccc(N[C@@H](C)c2cccc(C#N)c2)c1Cl 2365695027 LSEZNYUBGUBMSY-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1cc2sccc2s1 2370483339 SQSBKAIIZLAUDT-SJORKVTESA-N 307.528 5.996 30 10 DKEE O=C1/C(=C/c2cccc(Oc3ccccc3)c2)Cc2ccccc21 6340207 TWHHIMGUNJQRNU-QGOAFFKASA-N 312.368 5.301 30 10 DKEE N#C[C@H](C(=O)C1CCCCCC1)c1c(Cl)cccc1Cl 53714793 DYMOWHLVRBOBTF-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE Cc1ccc(C#N)c(Oc2cc(Br)ccc2Cl)c1 78481431 CEMRRRBYGHPBSD-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(OCCCC)cc1 100048350 LCQGCCHCARTJGR-GOSISDBHSA-N 305.506 5.877 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)ccc1Cl 115064655 CMULIJOGEXTNPX-MRXNPFEDSA-N 303.273 6.168 30 10 DKEE CCCCCCC[C@]1(C)CCNC[C@@H]1c1ccccc1Cl 118868795 IHCIXKPZPOIWNR-IEBWSBKVSA-N 307.909 5.784 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1c(Cl)cc(F)cc1Cl 123444278 HHGXSDXUXMBYKI-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Cl)c2ccccc12 127287847 TUPWVPSVDNQIFM-IBGZPJMESA-N 303.877 6.114 30 10 DKEE CCCCCCCCn1ccc2ccc(Br)cc21 129306247 HEHNYDXJJQTARB-UHFFFAOYSA-N 308.263 5.764 30 10 DKEE CCCCCCCCCCCC[C@H](O)CC1CCSCC1 135565609 FAVGIKNIMNYIGX-IBGZPJMESA-N 314.579 6.192 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)c1csc(C)n1 143411819 UOMMSXFPBXOWIK-QGZVFWFLSA-N 310.551 6.023 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(Cl)cc1OC 158966966 VQZIDCYZQDGQKV-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(OC)cc1Cl 164270301 TWRBVAIQRXLATI-HNNXBMFYSA-N 318.288 5.623 30 10 DKEE N#C[C@@H](Sc1cccc(Br)c1)C1CCCCCC1 167880064 JOKDJZZVBNRQSD-OAHLLOKOSA-N 324.287 5.404 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccoc1Br 232935408 DYMGKQPGUYBGGC-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE Cc1ccc(C#N)c(Oc2cc(C)c(Br)c(C)c2)c1 235848660 UFJVZKIVMVIVTN-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C=CCCCCCNc1ccc(Cl)c(Br)c1 236055162 CRRWGDDJJBYMTP-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE Cc1ccc(-n2c(C)cc(C=Nc3ccc(C)c(C)c3)c2C)cc1 252624091 PGCMHMNEMYNRGK-UHFFFAOYSA-N 316.448 5.770 30 10 DKEE CCCCCCC[C@@H](O)Cc1cc(Br)ccc1C 313596961 DYLHHOIBPUGRSI-MRXNPFEDSA-N 313.279 5.021 30 10 DKEE C=CCCCCCCN[C@H](CC)c1ccc(Cl)c(Cl)c1 380371318 MLACOAOMEWFMPU-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(C)c(Cl)c1 690282715 OYBCGBDGXCPZTG-LBPRGKRZSA-N 302.289 6.463 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)c(Br)s1 715720677 PFPKHBSCTUUMCF-MFKMUULPSA-N 316.308 5.072 30 10 DKEE N#CCc1cc2cc(SC(F)(F)F)cc(C(F)F)c2s1 725297847 ZAAUFTRSTGPZKQ-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE C=CCN(C(=O)c1ccccc1C)C1CCC(C(C)(C)C)CC1 1860017552 IJWQATOBQHCDJL-UHFFFAOYSA-N 313.485 5.228 30 10 DKEE CC(C)(C)C1CCC(=NOCCCOc2ccccc2)CC1 1860465053 IXLOTWYQAOLUIM-UHFFFAOYSA-N 303.446 5.064 30 10 DKEE C=C(C)Cn1c(-c2ccc(C(F)(F)F)cc2)nc2ccccc21 1873521410 LNWPPDOSAQOHCV-UHFFFAOYSA-N 316.326 5.298 30 10 DKEE C=CCC(CC=C)Oc1cc(Cl)ccc1Br 1900998612 ULPQHZOUWNJRMX-UHFFFAOYSA-N 301.611 5.002 30 10 DKEE C=C(C(C)(C)C)[C@@]1(O)CCC(C)(C)C[C@@H]1OCc1ccccc1 1977458651 BRCWAFIORZVXMA-RXVVDRJESA-N 316.485 5.115 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 1990864676 QRJKXYQMIGXAGO-UHFFFAOYSA-N 301.433 5.418 30 10 DKEE C=CCCCCCCC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 1995169317 OTQXRCXQMOVEJX-UHFFFAOYSA-N 320.477 5.054 30 10 DKEE CCCCCCCOCc1cccc(Br)c1Cl 2001855450 CHPVHMATSLHPBU-UHFFFAOYSA-N 319.670 5.590 30 10 DKEE CCCC[C@](C)(C#N)Cc1cc(Br)ccc1Cl 2001856348 HPYJBUOEFQXZEE-AWEZNQCLSA-N 314.654 5.365 30 10 DKEE C=CC1(CN[C@H](C)c2ccc(OCc3ccccc3)cc2)CCC1 2002611334 RVVKAZFMRURHDB-GOSISDBHSA-N 321.464 5.273 30 10 DKEE N[C@@H](CC#CC1CCCCC1)c1scc(Cl)c1Cl 2035089533 JKEKAMCBIAEBHI-LBPRGKRZSA-N 302.270 5.029 30 10 DKEE CSc1cc(C(F)(F)F)cc(C(F)F)c1C(F)(F)F 2060211958 KFHFWSCVOLDMQX-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1cccc(C)c1C 2070125600 UHQXJHXSJVZNJH-QGZVFWFLSA-N 306.453 5.138 30 10 DKEE CC(C)c1cccc([C@H](C)n2nc(C3CCCC3)cc2C#N)c1 2070144903 QUXYRIBAIWHGFD-HNNXBMFYSA-N 307.441 5.145 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2102109898 BZDNAVCMLZPUDX-WBMJQRKESA-N 300.273 5.116 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(C)c(Cl)s1 2108234906 SIYHGDRFMQLTCZ-CQSZACIVSA-N 302.911 6.274 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)ccc2Cl)CCCC(F)(F)C1 2128424369 PVJLCGJWRSLVPQ-CYBMUJFWSA-N 304.167 5.255 30 10 DKEE N#C[C@]1(Cc2cc(Cl)ccc2Cl)CCCC(F)(F)C1 2128424370 PVJLCGJWRSLVPQ-ZDUSSCGKSA-N 304.167 5.255 30 10 DKEE CCc1ccc(C#N)c(Sc2cc(Cl)cc(Cl)c2)c1 2132312951 UVSDYWIKYATUNZ-UHFFFAOYSA-N 308.233 5.579 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cccc(Cl)c1Cl 2141915884 GECSTZKJQYHMJN-MRXNPFEDSA-N 301.257 5.728 30 10 DKEE C#CCC1(N[C@H](C)c2ccc(Cl)c(Cl)c2)CCCCC1 2146198831 SVZAZLOBMGAPMC-CYBMUJFWSA-N 310.268 5.370 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1csc(C)c1C 2157230168 RZYFZAOMNBRJEE-UHFFFAOYSA-N 313.576 5.313 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)o1 2164107411 KXJSSGITVWBQSB-CQSZACIVSA-N 310.224 5.393 30 10 DKEE C=C([C@H](NCCC)c1c(F)ccc(F)c1Cl)[Si](C)(C)C 2164221050 DVSQXVQFZYMLHH-HNNXBMFYSA-N 317.883 5.093 30 10 DKEE C[C@H]1CC=C(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1 2181256381 YSQDDKLDONLKDR-VIFPVBQESA-N 302.723 5.288 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Cl)sc1Cl 2220092338 KIMKWGPOKIWGPR-LBPRGKRZSA-N 307.286 6.005 30 10 DKEE C=C[C@@H](CCCCC)OCc1ccc(C)c(Br)c1 2223285237 DWQSEWRYYLXXLX-HNNXBMFYSA-N 311.263 5.409 30 10 DKEE CC(C)C(C)(CNc1ccc(Br)cc1C#N)C(C)C 2268520280 CBMADZAUJQHONK-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE C=CCCCCC[C@H](NCC)c1csc(Cl)c1OC 2268923751 PPUPRVBEZQLPKN-ZDUSSCGKSA-N 301.883 5.197 30 10 DKEE Cc1cc(NCc2ccc(Cl)cc2Cl)cc(C)c1C#N 2280558381 WKMYHOWFCOQQEI-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C#CC(C)(C)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286475354 VEJZKBIYVMNDEO-MRXNPFEDSA-N 312.284 5.392 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1CNC 2287081107 YVKFHCRBRWOVMI-UHFFFAOYSA-N 311.922 5.678 30 10 DKEE CCN[C@H](C#Cc1ccccc1Cl)c1cc(Cl)sc1C 2295241923 FORTXLBMBFGAIR-OAHLLOKOSA-N 324.276 5.066 30 10 DKEE CCCCCCCCC[C@H](C)N[C@H](C)c1ccc(Cl)s1 2295684032 HPBLUHSLFWENOM-LSDHHAIUSA-N 315.954 6.581 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(Br)c(C)c1 2321141109 MJWMMTXMBASCPC-CVEARBPZSA-N 310.279 5.010 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1ccc(C(C)C)cc1 2322724960 DUDFXCIPXLYISU-UHFFFAOYSA-N 320.432 5.661 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(C)c(Br)c(C)c1 2344359057 XFVXNNZXXUFZGI-DLBZAZTESA-N 324.306 5.319 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377370181 AZLDWGXEDHYKQR-BDJLRTHQSA-N 316.247 5.223 30 10 DKEE CC(/C=N/c1ccc(OC(F)(F)F)cc1)=C\c1ccccc1 4948116 KQXRUPBQVGIXBR-QLCGXXCYSA-N 305.299 5.391 30 10 DKEE N#Cc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1Cl 37393372 BOHKUFIGUFEBNX-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCC[C@H](CS)COc1cc(Cl)c(Cl)cc1Cl 94583544 VYCYBXNXFGEGMM-QMMMGPOBSA-N 313.677 5.372 30 10 DKEE CCC[C@@H](CS)COc1cc(C(C)C)c(Cl)cc1C 94584394 DIMCEXDVWJCPLC-CYBMUJFWSA-N 300.895 5.497 30 10 DKEE Cc1cccc(CS[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1 110355013 MXJYCLZMENEKCI-KURKYZTESA-N 301.499 5.583 30 10 DKEE CCCCCCCCCC[C@]1(N)CCC[C@H](C(F)(F)F)C1 113979102 CBZGXJHGPAUDPU-HOTGVXAUSA-N 307.444 5.967 30 10 DKEE CCCCCCCCCCCC[C@H](N)CSC1CCCC1 115646625 LQYZTVFUEVMYQY-SFHVURJKSA-N 313.595 6.301 30 10 DKEE CCCCCCCCCC[C@H](O)CSc1ccc(F)cc1 116705336 QPVXDGFJLSINAO-KRWDZBQOSA-N 312.494 5.810 30 10 DKEE CCCCCCCCCCCC[C@H](Cc1cccs1)NN 125969280 KRNRHBGDBDQTLN-QGZVFWFLSA-N 310.551 5.434 30 10 DKEE CCSc1cccc(Oc2ccc(Cl)c(C)c2)c1C#N 136707098 UKBLCTCEOSZABS-UHFFFAOYSA-N 303.814 5.424 30 10 DKEE CCCCCCCCC[C@H](NCC)C1CCC(F)(F)CC1 139439470 FMDRHOBZBTUGKA-KRWDZBQOSA-N 303.481 5.931 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc2ccccc2s1 157968091 RGYQMACBPJQASF-QGZVFWFLSA-N 303.515 6.303 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1cc(C)c(Cl)s1 226682696 ZDPCGMAOQNRTGV-OAHLLOKOSA-N 316.938 6.664 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(Cl)cc1Br 233532663 YABKWKCVFJIREJ-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C)N2 251173507 QSMQKHUGSNJSNU-DXIQSLLYSA-N 317.432 5.386 30 10 DKEE CCC(=NO)c1ccccc1OCc1cc(Cl)ccc1Cl 252662836 XJNXIZZUZLVMQD-UHFFFAOYSA-N 324.207 5.161 30 10 DKEE CC1(C)CCC[C@]2(C)C(=O)C=C(Sc3ccccc3)C[C@@H]12 261491368 UGZONSHJMRYEFZ-LPHOPBHVSA-N 300.467 5.468 30 10 DKEE CCCCCCCCCCC(=O)c1coc(Br)c1 378947589 NFXPIAUHWORKPB-UHFFFAOYSA-N 315.251 5.756 30 10 DKEE Fc1cccc(C(F)(F)F)c1-c1cccc(OC(F)(F)F)c1 1848363810 RDAKOODUMDXBEJ-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CC1(C)CCC[C@@](C)(Nc2ccc(Br)cc2C#N)C1 1877822629 IZMTWUSSWCFISR-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CC(C)C[C@H](CS)CSc1cccc(Br)c1 1905524613 AUPUMEFINDBSRW-LLVKDONJSA-N 319.333 5.133 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CCC)CCC1 1978584779 AEDOLCXNEDPEFW-HXUWFJFHSA-N 315.501 5.098 30 10 DKEE CC(C)c1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)C(C)C 1982107756 JPEZPLAJNLAGQA-QGZVFWFLSA-N 316.445 5.020 30 10 DKEE C=CCC[C@H](N)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993580880 QOPATQLSARLSTA-INIZCTEOSA-N 318.461 5.123 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCC[C@@H](C)C2)c1Br 2027611963 WGHFGQXGRGVLCZ-MLGOLLRUSA-N 306.247 5.020 30 10 DKEE CC[C@@](C#N)(C(C)C)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2127930746 KJUKJNLUZWKTBQ-ZIAGYGMSSA-N 320.647 5.256 30 10 DKEE N#Cc1ccc(Nc2cc(F)c(Cl)cc2Cl)cc1Cl 2139004730 YDCLJZOGKJRRGK-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCCCCC[C@@]1(N)CC[C@H](P(C)(C)=O)C1 2160795162 ZTHZEWHPWTZKCB-DLBZAZTESA-N 301.455 5.390 30 10 DKEE C=C(F)C[C@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2182513861 UVLSNXFLKCWWGX-AWEZNQCLSA-N 309.837 5.592 30 10 DKEE CCCC(CS)(CCC)CSCCCOCC1CCC1 2184672392 UEKWENUTJRASRQ-UHFFFAOYSA-N 318.592 5.443 30 10 DKEE CCc1ccc(C#N)c(NCc2cccc(Cl)c2Cl)c1 2188847306 TZHYSHTVOODAAL-UHFFFAOYSA-N 305.208 5.040 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2203425847 LIYRMHABVIQJGZ-RISCZKNCSA-N 316.272 5.255 30 10 DKEE CCCCCC#CCNc1c(Cl)cccc1C(F)(F)F 2203784766 GUJXVNMMHXWMMV-UHFFFAOYSA-N 303.755 5.354 30 10 DKEE CCCCCCCCCOCc1nscc1Br 2216955938 LWMJXASDIJVNBG-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Br)ccc1C 2227290174 YVBQKCHNSSWQDJ-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE C=CCCCCCCC[C@H](NN)c1ccc(Cl)c(Cl)c1 2235541957 NEJVRJKCYLHJFA-INIZCTEOSA-N 315.288 5.415 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(Cl)c(C(F)(F)F)c1 2236292995 PMFBWMVLZNSMFZ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE N#Cc1ccc(SCC2(C(F)(F)F)CCC2)cc1Cl 2274537431 XONFUEXVIZZMNQ-UHFFFAOYSA-N 305.752 5.036 30 10 DKEE CCCCCCC[C@@H](NC)c1c(F)ccc(OC)c1Cl 2286692358 ULVXBSGKXUOSKL-CYBMUJFWSA-N 301.833 5.109 30 10 DKEE C=CCCCCCCCSC[C@@H](N)c1cccc(Cl)c1 2287190536 ZKDJJUFYVXNTAP-QGZVFWFLSA-N 311.922 5.600 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C(F)(F)F)s1 2362244739 YRDLZSWSCMQKDE-TUAOUCFPSA-N 303.393 5.162 30 10 DKEE CCCN[C@H](C#Cc1cccs1)c1cc2cscc2s1 2363550133 CXRPUWSWZRRBMU-CQSZACIVSA-N 317.504 5.117 30 10 DKEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377370182 AZLDWGXEDHYKQR-BZNIZROVSA-N 316.247 5.223 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154030 NNVSWCDLRHRXRQ-JJRVBVJISA-N 321.917 6.177 30 10 DKEE N#C[C@H](CCOc1ccc(F)cc1)c1cccc2ccccc12 57686237 CZGNPKBIEFAGCD-INIZCTEOSA-N 305.352 5.055 30 10 DKEE CCCCCCCC/C=C\CCCCCCCCCCCCN 100113836 SYWDPPFYAMFYQQ-KTKRTIGZSA-N 323.609 7.543 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(CC)s1 109900736 AVRSDIIBOXERMQ-CYBMUJFWSA-N 303.496 5.762 30 10 DKEE CCCCCCC[C@H](C)NCc1ccc(C(F)(F)F)cc1 109958459 PAWNHCHFWBREOJ-AWEZNQCLSA-N 301.396 5.544 30 10 DKEE C=C[C@H](O)c1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1 114257096 PITUINHIXKJYJX-GFWYJJLOSA-N 321.807 5.278 30 10 DKEE Cc1c([C@@H](C)N[C@H](C)c2ccc(C#N)s2)oc2ccccc12 134810940 FNQYFGTXGPAPQW-CHWSQXEVSA-N 310.422 5.086 30 10 DKEE Cc1cc(N[C@@H](C)c2ccc(Cl)cc2Cl)c(C#N)c(C)n1 156552318 GJGOYZQTKDXGED-JTQLQIEISA-N 320.223 5.050 30 10 DKEE C=C(C)CC[C@H](Cc1c(Cl)cccc1Cl)NCCC 164545383 PRJIVRXTSXXMHJ-CYBMUJFWSA-N 300.273 5.260 30 10 DKEE C=C(CC)C[C@@H](NC)c1ccc2cc(Br)ccc2c1 229759386 FWUBQDYKSUTDEJ-QGZVFWFLSA-N 318.258 5.219 30 10 DKEE CC(=O)Nc1ccc(C)c(N=Cc2ccc(Cl)c(Cl)c2)c1 254310205 LMVJYSAVKFKKQS-UHFFFAOYSA-N 321.207 5.011 30 10 DKEE C/C(C=NNc1ccc([N+](=O)[O-])cc1)=C\c1ccc(C(C)C)cc1 254794876 GWCRHJDMHHYKNQ-YZIXDGRDSA-N 323.396 5.219 30 10 DKEE C=CCCCCN[C@H](C)c1ccc(OCc2ccccc2)cc1 309736534 QTIPFWPURUVYDA-GOSISDBHSA-N 309.453 5.273 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1ccccc1OCc1ccccc1 695865339 RXJMYZWSVVEXNO-MRXNPFEDSA-N 308.425 5.006 30 10 DKEE CCCCCCCCNC(=O)CCC(C)(C)c1ccc(C)cc1 1868187831 CNAGLVKUWZPPFJ-UHFFFAOYSA-N 317.517 5.530 30 10 DKEE CCCCCCCCNCc1sc(C)cc1Br 1942131976 HDBUNXSJRNRSAG-UHFFFAOYSA-N 318.324 5.269 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccnn1Cc1ccccc1 1994382563 ODISAILXFNTVKI-HXUWFJFHSA-N 314.473 5.106 30 10 DKEE C=C1CCC(NCc2c(Cl)ccc(Cl)c2Cl)CC1 2039693938 WFNDYOPNYCMJMT-UHFFFAOYSA-N 304.648 5.235 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Br)cc1 2040529200 IOOCGROMIOTGDY-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE C[C@@H](c1ccccc1C1CC1)n1nc(C2CCCCC2)cc1C#N 2070099627 PRRQVAWWADAIFU-HNNXBMFYSA-N 319.452 5.289 30 10 DKEE C=CCCC[C@H](NCC)c1cc(C)c(Br)cc1C 2081074153 PLNSHCHSPCKVJO-INIZCTEOSA-N 310.279 5.073 30 10 DKEE C=CCCCCCCCCN1CCC(Br)=C(C)C1 2086279738 XCVOBHLIYLIULF-UHFFFAOYSA-N 314.311 5.278 30 10 DKEE CCCCC[C@@H](CC)Oc1cccc(Br)c1C#N 2086286003 QGWRNPHNRNRIRM-GFCCVEGCSA-N 310.235 5.058 30 10 DKEE CCCCCCC[C@H](C)N[C@H]1CCC[C@H](P(C)(C)=O)C1 2160836321 OQYHSJSLWPGWRW-ULQDDVLXSA-N 301.455 5.259 30 10 DKEE C=CCCCCCC(=O)c1cc(Cl)ccc1OC(F)F 2163959845 IKUUOMPONRQWEV-UHFFFAOYSA-N 302.748 5.261 30 10 DKEE C=C1CC(C[C@H](N)c2ccc(-c3ccccc3Cl)s2)C1 2182176145 YOIUYYRSOGOACK-HNNXBMFYSA-N 303.858 5.425 30 10 DKEE CCCCCCCCCNCc1csc(C(F)(F)F)n1 2188751564 XFNCFCCPASKWGJ-UHFFFAOYSA-N 308.413 5.002 30 10 DKEE CC#CCCC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2194065201 FYVLGFSEWXRKEU-AWEZNQCLSA-N 312.284 5.098 30 10 DKEE C=C(c1ccccc1)[C@@H](NCCC)c1cc(Cl)sc1C 2197147504 BKFWAXVGHGAMEH-QGZVFWFLSA-N 305.874 5.464 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(Cl)c(OC)c1F 2203418075 PUPDIHJWFPSYIO-CQSZACIVSA-N 301.833 5.238 30 10 DKEE C=CCCC(C)(C)Cn1c(S)nc2ccc(F)c(Cl)c21 2235684730 DXHGIRDKTRVNFE-UHFFFAOYSA-N 312.841 5.110 30 10 DKEE N[C@H](CCCC(F)(F)C(F)(F)F)c1cscc1C(F)F 2240436734 PCMINYMOZASEQH-MRVPVSSYSA-N 323.277 5.053 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CC(C)(C)CCC1(C)C 2245434570 CUEXRNDNUQPSJQ-LJQANCHMSA-N 322.493 5.132 30 10 DKEE C=CCCCSc1c([C@@H](C)NCC)ccc(Cl)c1F 2271587210 UIKSQZAEUVKTFM-LLVKDONJSA-N 301.858 5.208 30 10 DKEE C=CCCCCCCCSc1nc(Cl)ncc1C1CC1 2287071089 SDFAIHHKGHMNPN-UHFFFAOYSA-N 310.894 5.626 30 10 DKEE C=C(C)CCCCNc1ccc(OC(F)(F)F)c(Cl)c1 2287468541 VZYZFTKXTIXWGK-UHFFFAOYSA-N 307.743 5.397 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(Br)cc1Cl 2304078790 NVXOSEFQCZLCFP-CQSZACIVSA-N 315.638 5.278 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(C)c(Br)cc1C 2319286485 KTGGILPEVVODEL-INIZCTEOSA-N 310.279 5.073 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1scc(Cl)c1Cl 2339559848 MHQYNBIPVYPTGB-JQWIXIFHSA-N 316.297 5.145 30 10 DKEE Cc1c(CC2(C#N)CCC(C)(C)CC2)ccc(Cl)c1Cl 2364000814 CSAOHVGVAJNSOR-UHFFFAOYSA-N 310.268 5.955 30 10 DKEE O=C(CCc1cc(Cl)cc(Cl)c1)C1=CCC(F)(F)CC1 2366879472 BBICSJKMCAPRIB-UHFFFAOYSA-N 319.178 5.241 30 10 DKEE N#C[C@H](CCOc1cccc(F)c1)c1cccc2ccccc12 57686234 KBEMPKYJUCOTDV-INIZCTEOSA-N 305.352 5.055 30 10 DKEE CCCCCCCCCCCCC(=O)Cc1nc(C)cs1 109711142 UMKWWBNMVNDHOP-UHFFFAOYSA-N 309.519 5.874 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cccc(Cl)c1F 113940939 DBOJJRMUYJXFED-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE Cc1cc(Oc2ccc(C#N)cc2Br)ccc1Cl 213288135 DDAFIGFRXASXFR-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE N#Cc1ccc(Oc2ccccc2Br)c2ccccc12 232465564 FIJBNLZIIJASCO-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCOc1nc(Cl)nc2sc(CC)cc12 232953437 NDEQOHVQQSXLIU-UHFFFAOYSA-N 312.866 5.256 30 10 DKEE CC[C@H]1CC[C@](C#N)(Cc2cc(Br)ccc2C)C1 314140355 IOBDDGKZCMINRC-XJKSGUPXSA-N 306.247 5.020 30 10 DKEE CC/C(=N\OCc1ccccc1Cl)c1ccc(C(C)C)cc1 821218601 ZYQJHBUJYKBQFT-XUTLUUPISA-N 315.844 5.794 30 10 DKEE CCCCCCCCCCNC(=O)C(F)(F)c1ccccc1 1866154651 WVMIMLVHUKSWGS-UHFFFAOYSA-N 311.416 5.035 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cc(Br)c(Cl)s1 1978546995 DZDWUVLVKXMGTM-KWQFWETISA-N 322.699 5.027 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Br)c(Cl)s1 1978551196 WAFQZNHQEPEPFH-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=CCCCC[C@@H](O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1984556118 YUSQAIJEXCJATD-QGZVFWFLSA-N 319.445 5.122 30 10 DKEE CCCCCCCCCOc1cccc(Br)c1F 2028075964 CDIOFLBAJDIIIQ-UHFFFAOYSA-N 317.242 5.718 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1cccc(C2CC2)c1 2070123445 KVMFQRNLNBBWFH-MRXNPFEDSA-N 318.464 5.399 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccoc1Br 2086259319 NPGHHENUVPJRJL-AWEZNQCLSA-N 314.267 5.349 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cccc(Br)c2)CC1 2100867924 RPWUBBKVZKODDY-KRWDZBQOSA-N 323.274 5.167 30 10 DKEE CCCC#CCC[C@@H](NCCC)c1ccccc1Br 2138985261 DTLMOSZMUCBFSS-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCCCCCC[C@H](NC)c1ncc(Cl)cc1Cl 2141914894 WCLXRUIITGOKTN-AWEZNQCLSA-N 301.261 5.176 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(C(F)(F)F)c(Cl)c1 2146765470 LYRZYSYJBMJZHI-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NCCC 2192512276 IRRPVISKSYQHTG-IRXDYDNUSA-N 303.471 5.507 30 10 DKEE C=CCCCCCCC[S@](=N)(=O)Cc1ccccc1Cl 2235769825 XZJCYCDTERCKOL-FQEVSTJZSA-N 313.894 5.413 30 10 DKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)c1ccc(Cl)s1 2239568042 INEBMKLFYBKUEY-AWEZNQCLSA-N 324.276 5.147 30 10 DKEE N#Cc1cccc(F)c1Nc1ccccc1OCc1ccccc1 2247104639 URBAMDOWNHMVCZ-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(Cl)c(OC)cc1Cl 2287383752 GRCXLTLKTYADOU-HNNXBMFYSA-N 316.272 5.399 30 10 DKEE C=C(C)CCCC[C@H](O)c1cccc(SC(F)(F)F)c1 2287403891 ZHIPMKGMHNXRCO-AWEZNQCLSA-N 304.377 5.468 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1cc2cscc2s1 2289684997 QWXFYDNATAJVHT-HNNXBMFYSA-N 303.496 5.197 30 10 DKEE C=C(C)CCCCN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353018044 HHGMQXPALJTQGC-ZDUSSCGKSA-N 300.273 5.699 30 10 DKEE CSc1cc(Nc2c(Cl)cccc2Cl)ccc1C#N 2353830205 BLKAMLYHUZXISX-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2370485473 FJUZYMXIWFMRLD-BLLLJJGKSA-N 314.300 5.425 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(Cl)c(C(F)F)s1 2371221789 DROIFZFXFYSYRR-OAHLLOKOSA-N 323.880 6.264 30 10 DKEE CC1(C)CCC(C#N)(Cc2sccc2Br)CC1 87940202 ZUNQIXXMLRIHSA-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE CCCCCCCn1cc(CN[C@@H](C)CC)c2ccccc21 107028166 SCYZSRXFOBBZCW-KRWDZBQOSA-N 300.490 5.500 30 10 DKEE CCCCCCCO[C@@H](CNCCC)c1ccc(Cl)cc1 110067948 UUHYHFLGZHHSHJ-SFHVURJKSA-N 311.897 5.368 30 10 DKEE C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(Cl)cc1C#N 110258537 ZHHZLKDMIZDWMP-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1c(Cl)cnn1CC 126237869 STZOXPYXRFBBHK-MRXNPFEDSA-N 313.917 5.477 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(Cl)ccc2Cl)C1 233925079 LPPXJIZTEPJTFZ-XFBWCDHKSA-N 312.240 5.137 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2 251481463 OUGFPSJRZJLGPU-DXIQSLLYSA-N 317.432 5.386 30 10 DKEE CCCCCCCCN[C@@H]1CCc2ccc(Br)cc21 388423889 QYOIJCDRTBUBKK-QGZVFWFLSA-N 324.306 5.387 30 10 DKEE CCCCCCC[C@@H](C)NCc1csc(Br)c1 397386190 LYIJNTYNYMGTDC-GFCCVEGCSA-N 318.324 5.349 30 10 DKEE CCCCCCC[S@](=O)CCOc1ccc(C(C)(C)C)cc1 586304342 KIAZOZGSXHNYIJ-QFIPXVFZSA-N 324.530 5.082 30 10 DKEE C=C1C/C(=C\CCc2ccc(CCCCC)cc2)C(=C)[C@@H]1CCC 607715862 RDDDLIQQGMZPEN-JDQXFBDKSA-N 322.536 7.211 30 10 DKEE CCC[C@@H](Nc1ccc(Br)c(C#N)c1)C1CCCC1 690200643 NMKJDJDJMVKCKY-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1scc(Cl)c1Cl)C1CC1 1887488303 GZNMESARFDCRBF-DGCLKSJQSA-N 316.297 5.145 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cc(C)ccc1CNCCC 1914937732 SCQOATMFCJYVAQ-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(F)cc1Br 1920043512 NKDRFQAVFIWXAB-OAHLLOKOSA-N 317.242 5.156 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)CCCOCc2ccccc2)CC1 1985308831 ALTMWIKYGZHLKJ-IBGZPJMESA-N 314.469 5.325 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc(Cl)c(Br)c1F 2000202481 JETRMHJQMHDQHY-MRVPVSSYSA-N 319.601 5.027 30 10 DKEE N#Cc1ccc(C=Cc2nc3c(ccc4ccccc43)s2)cc1 2040456484 AKBCBFUOAHXHEP-UHFFFAOYSA-N 312.397 5.492 30 10 DKEE C=CCC[C@@H](C)[C@@H](N)c1ccc2cc(Br)ccc2c1 2102113015 WSGKGYIJFGWIRT-SJKOYZFVSA-N 318.258 5.204 30 10 DKEE C=CCCCCCC[C@](C)(N)Cc1ccc(Br)cc1 2141913727 KZVUPSZIHDYWMV-KRWDZBQOSA-N 324.306 5.236 30 10 DKEE C=C(CC)C[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164160593 GMROXNTWECTMRD-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CCCCCCCn1c(Cl)nc(Cl)c1CNC(C)(C)C 2175469464 BWJOMNNARJXPLH-UHFFFAOYSA-N 320.308 5.048 30 10 DKEE CCC(CC)(CS)CN(C)Cc1ccc2sccc2c1 2177206365 UHBPMFOWNPICBA-UHFFFAOYSA-N 307.528 5.069 30 10 DKEE CCc1cc(Oc2cc(Cl)c(C#N)cc2F)ccc1Cl 2177387925 JRPVAGINFJJWTQ-UHFFFAOYSA-N 310.155 5.359 30 10 DKEE C=C(C)CCCC[S@](=N)(=O)c1ccc(Cl)c(Cl)c1 2259177006 TYPGGLXJRLCKGW-SFHVURJKSA-N 306.258 5.145 30 10 DKEE COC1(CSCCCCCCCCCS)CCCC1 2265540582 DYVOMLGFOXBVTK-UHFFFAOYSA-N 304.565 5.339 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Cl)ccc1Cl 2271790642 ICOBZJAXLUXJDL-INIZCTEOSA-N 300.273 5.781 30 10 DKEE C=CCCCCCCCS[C@@H]1CCC(F)(F)[C@@H]1NCC 2287189400 MJLUBHOMRJDDOI-HUUCEWRRSA-N 305.478 5.022 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1c(Cl)cccc1Cl 2289680600 HAHJSRILYAGYFB-MRXNPFEDSA-N 310.268 5.228 30 10 DKEE CCCCCCCCC(=O)c1csc(C)c1Br 2303606632 OIMOXYZLXWSIOA-UHFFFAOYSA-N 317.292 5.752 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Cl)c(Cl)c1OC 2344472794 DPAFMTLPCMHTMH-HUUCEWRRSA-N 303.229 5.028 30 10 DKEE Cc1c([C@@H](O)CC=CC#CC(C)(C)C)ccc(Cl)c1Cl 2364531168 FEBKWHMHVPAIKL-HNNXBMFYSA-N 311.252 5.331 30 10 DKEE C=CC[C@H]1CCCCN1CCCc1cc(Cl)cc(Cl)c1 2366832281 BEBWYWLUWHMZHM-KRWDZBQOSA-N 312.284 5.357 30 10 DKEE Cc1ccc(/N=C/c2ccc3ccccc3c2)cc1Br 59518370 XBODFOMZTBDNOE-UDWIEESQSA-N 324.221 5.661 30 10 DKEE CCCc1oc(-c2c(OC)cc(C)c(Cl)c2C)cc1C#N 77081993 GXPANWYGTVNSIC-UHFFFAOYSA-N 303.789 5.050 30 10 DKEE CCc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 83194059 IMDWNBDENIRGRH-UXBLZVDNSA-N 305.204 5.452 30 10 DKEE COc1ccc(CSc2ccc(Cl)c(Cl)c2)cc1C#N 88304086 KDJWTXSIYWWBFE-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE C=C(CC)C[C@H](Cc1c(Cl)cccc1Cl)NCCC 97208588 OGJHECRNZLCIBR-CYBMUJFWSA-N 300.273 5.260 30 10 DKEE CCCCCCCCCCC1(N)CCC(C(F)(F)F)CC1 113977352 JNMZVSKFCWANHL-UHFFFAOYSA-N 307.444 5.967 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cc(Cl)ccc1C 122702541 FIJJOYURWCAXKL-GOSISDBHSA-N 310.913 5.684 30 10 DKEE Cc1ccc(Cl)cc1Oc1cc(Br)ccc1C#N 123505279 FPSITAXKXXXKNC-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCC[C@H](COc1ccc(Cl)cc1)NC 139508648 ZXYVYIUQFDQFJW-QGZVFWFLSA-N 311.897 5.448 30 10 DKEE CCCCCCCCCC(=O)c1ncccc1Br 140035460 FIQKGDSZEPXERS-UHFFFAOYSA-N 312.251 5.168 30 10 DKEE CCCCCCC[C@H](NCC)c1ccccc1C(F)(F)F 158031331 CAIWHFQCWJVXKV-INIZCTEOSA-N 301.396 5.717 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(Cl)s1)NCCC 160839538 HAEBUKCFEDCBKC-OAHLLOKOSA-N 315.954 6.063 30 10 DKEE CCCCCCCCC[C@H](NC)c1cnc2ccsc2c1 163663643 JBFFBXRFXFRXKR-INIZCTEOSA-N 304.503 5.698 30 10 DKEE CC(C)=CCC(=O)/C(C)=C/CC/C(C)=C\CCc1ccoc1 215157627 KICOQGUOSKQVSW-IADIARBNSA-N 300.442 5.810 30 10 DKEE Cc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)c(C)c1 252462393 RYPUFGIUANEAGS-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE Cc1ccc(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C 254480690 FERKIZIAWOGEJR-UHFFFAOYSA-N 320.348 5.222 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1CS[C@@H](C)[C@H](C)S1 300107067 JYBLIGNOAOZURV-VGWMRTNUSA-N 303.581 5.080 30 10 DKEE N#Cc1ccccc1OCCSc1ccc(Cl)cc1Cl 322558685 WQLPBMYWRGISQQ-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE N#CCc1cc(-c2cc(Cl)cc(Cl)c2Cl)cs1 514262643 RYJVURHAKHZXDJ-UHFFFAOYSA-N 302.613 5.441 30 10 DKEE Cc1c(Cl)cc(N=C2N[C@@H](CC(C)C)CS2)cc1Cl 690276138 LNKANKQRCPTYRY-NSHDSACASA-N 317.285 5.040 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(Br)cc1 692211586 JTFQJDHTOFCOHH-FRFSOERESA-N 322.290 5.235 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](CC(C)C)C1 698964145 KUQAGOQNZXFBQJ-LPHOPBHVSA-N 322.493 5.132 30 10 DKEE CC(C)CCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 703969141 NGMWDPONXHOAEF-KRWDZBQOSA-N 322.493 5.275 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)C1(C)CCCCCC1 712373318 MWTNPHFIVUZHEX-INIZCTEOSA-N 320.477 5.029 30 10 DKEE CCCCCCCCC[C@H](NN)c1cscc1C(F)F 720339674 VWCUTMCDYKHQLL-AWEZNQCLSA-N 304.450 5.331 30 10 DKEE C/C(CCc1ccccc1)=N\OCc1ccc(Cl)c(Cl)c1 1860465781 PQEUXVCKFZUJPM-DEDYPNTBSA-N 322.235 5.519 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1874614672 NLIPBIVPYQBRHQ-CSKARUKUSA-N 312.796 5.191 30 10 DKEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)CC1CCC1 1932004472 YBTDRRZHSZKVCT-UHFFFAOYSA-N 310.828 5.018 30 10 DKEE C=C(C)CCCNc1ccc(Br)cc1C(F)(F)F 2027879065 FGHHZFNTFKXPHJ-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cc(Cl)sc2Cl)C1 2074835774 VTTPAISYOIJGTH-IINYFYTJSA-N 302.270 5.708 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Cl)ccc1Cl 2102112415 SHQLTEHHUPXKGW-BLLLJJGKSA-N 300.273 5.636 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCCCC23CC3)c1Br 2116997354 QUJUNURGDOFUPF-KRWDZBQOSA-N 318.258 5.164 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1cc(Cl)c(Cl)s1 2117028178 ZOBOPLGHBFKTAL-SMDDNHRTSA-N 318.269 5.198 30 10 DKEE CCCCCCC[C@@H](O)[C@@H](NCC)c1cc(Cl)sc1C 2154425520 OLVGXSXTJCDBNI-ZBFHGGJFSA-N 317.926 5.082 30 10 DKEE C[C@@](N)(CC#CC1CCCCC1)c1ccc(Cl)cc1Cl 2154708771 NIWLVHNAMMGPGF-QGZVFWFLSA-N 310.268 5.141 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cc3sccc3s2)CCC1 2168028364 LVDLCHCRUJJCSE-CYBMUJFWSA-N 305.512 5.750 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200836462 PFOSRLIKSXOXLG-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C=CCCCCCCCCC(=O)[C@H](O)c1cscc1Cl 2207382959 XSKBOYKTSKCRRB-MRXNPFEDSA-N 314.878 5.311 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Br)oc1C 2220092381 KREQSFSDHGOGPG-AWEZNQCLSA-N 315.251 5.301 30 10 DKEE N#C[C@H](c1cccc(Cl)c1Cl)[C@@H]1CCC2(CCCC2)C1 2235756969 NHEUYOZYVHOJNU-OCCSQVGLSA-N 308.252 5.961 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2236309540 TXQRKAGLWKYZMU-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE CC(C)(C)C#CCCNCc1cc(-c2cccs2)cs1 2239128682 XNNLUTNAGCYOKZ-UHFFFAOYSA-N 303.496 5.006 30 10 DKEE CCCCCCCC[C@@](C)(O)c1c(Cl)cnn1C(C)C 2240616002 LJGGRBYBXYJGRZ-MRXNPFEDSA-N 300.874 5.076 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(F)c(C)cc1Cl 2240617545 GQZVZZYUGIFVDM-QGZVFWFLSA-N 300.845 5.746 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Cl)cc(F)c1Cl 2240618735 WSTNVJKEARWZDV-MRXNPFEDSA-N 321.263 6.091 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Br)c(F)cc1C 2259175328 CYCOQPJPEKGACY-UHFFFAOYSA-N 313.210 5.216 30 10 DKEE C=CCC(C)(C)[C@@H](N)c1cc(Br)cc(C(C)C)c1 2321141159 MSEFOOUSMLKCGK-HNNXBMFYSA-N 310.279 5.175 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2341932064 VZDXDZLLIIAXNR-CYBMUJFWSA-N 302.245 5.009 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(F)cc1Cl 2360201846 QAZNTMKLOXHOGG-MLGOLLRUSA-N 315.885 5.218 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2366025598 UEIBHUCSVKUDMQ-JKSUJKDBSA-N 314.256 5.445 30 10 DKEE CC(C)(C#N)CCCOCCCc1cc(Cl)cc(Cl)c1 2366932593 OXQYVFGZMUTDAH-UHFFFAOYSA-N 314.256 5.273 30 10 DKEE C=CCCCCCCCN(C)Cc1ncc(C(F)F)s1 2369535502 DOFFYPSNWYJFNA-UHFFFAOYSA-N 302.434 5.039 30 10 DKEE N#Cc1ccc(NC2CC(c3cccc(Cl)c3)C2)cc1Cl 36846140 MZOXQFROLQTHRY-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)cc2F)C1 37156719 RFDPTEORPZOUPI-XHBSWPGZSA-N 309.425 5.411 30 10 DKEE CCCCCCCCCCCCCOC(=O)c1ccccc1O 95669921 VLMWBWYAHNRUGC-UHFFFAOYSA-N 320.473 5.860 30 10 DKEE CCCCCCCCOc1ccc(/C=C2/CCCCC2=O)cc1 108779495 XNIOBDFTZRXUQA-ZPHPHTNESA-N 314.469 5.952 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(Br)cc1 112888862 HRDBEARHHDQZHM-MRXNPFEDSA-N 312.295 5.460 30 10 DKEE CCCCCCCC[C@H](NC)c1ncc(Cl)cc1Cl 128438424 GJQKMOWBZRLNMX-AWEZNQCLSA-N 303.277 5.400 30 10 DKEE CCCCCCC[C@H](NC)c1c(F)cccc1Br 229082720 UXWNMBIPJXOHOB-AWEZNQCLSA-N 316.258 5.209 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(F)c(Cl)c2)c(Cl)c1 232039699 HWIOKCQLPRNAHJ-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCC[C@H]1CNc2c(Br)cc(F)cc21 232948504 VXMARYGWLIHGMK-NSHDSACASA-N 314.242 5.458 30 10 DKEE CC1(C)C2=C(C=Nc3ccccc3)CCCN2c2ccccc21 254658471 OVHPOLDIJPAMSN-UHFFFAOYSA-N 302.421 5.235 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cc(Cl)ccc1Cl 704007231 ZNKUPNSLGLVQRV-GFCCVEGCSA-N 300.273 5.636 30 10 DKEE CC[C@H](C)N(C(=O)c1cccc(C#N)c1)c1ccc(C(C)C)cc1 1859908263 USMSAIFJGOLELX-INIZCTEOSA-N 320.436 5.127 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccc(Cl)cc2)s1)C(F)(F)F 1919677066 JRMFLEPKIHAAFB-ZDUSSCGKSA-N 318.747 5.220 30 10 DKEE CCCCCCCC[C@@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 1995348870 DYYPRHIUZCBLCJ-KRWDZBQOSA-N 324.509 5.522 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(C)sc1Br 2026006087 YODYUACMSAQIJK-ZDUSSCGKSA-N 317.292 5.379 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(C)c(Br)c1C 2037106798 OQBWUPJFBQYBTM-OAHLLOKOSA-N 310.279 5.202 30 10 DKEE C=C(Br)CCOc1ccc(-c2ccccc2)cc1 2044969952 RREYFSKUZSCMHS-UHFFFAOYSA-N 303.199 5.031 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2102112241 RBEYXMQCYBDCTD-MLGOLLRUSA-N 300.273 5.636 30 10 DKEE C=CCSc1ccccc1NCc1ccc(Cl)c(C)c1 2163938942 QKTITMPIWNORDS-UHFFFAOYSA-N 303.858 5.539 30 10 DKEE C#CC(C)(C)C[C@H](N)c1ccc(-c2ccccc2Cl)s1 2167610923 XPWRXEUYECSLCG-AWEZNQCLSA-N 303.858 5.118 30 10 DKEE N#CC1(Cc2ccsc2C(F)(F)F)CCC(F)(F)CC1 2184888813 PRNYYKTZZGTYQC-UHFFFAOYSA-N 309.303 5.029 30 10 DKEE CCCCCC#CC[C@@H](Cc1ccc(Cl)cc1Cl)NC 2203792460 QBSTVQCXEKNTRB-INIZCTEOSA-N 312.284 5.098 30 10 DKEE CCCCCC#CC[C@@H](NC)c1cscc1C(F)(F)F 2203833933 PDPLQIFKUBARNV-CQSZACIVSA-N 303.393 5.001 30 10 DKEE CCCCCCCCc1nc2c(Cl)cc(Cl)cn2c1N 2207448507 JYFZGFZJARFCFT-UHFFFAOYSA-N 314.260 5.126 30 10 DKEE N#Cc1cc(NCCCCCCC2CC2)ccc1Br 2225779511 CQEFOBGURGEHMT-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1c(Cl)cccc1Cl 2231575856 XHZJHASBIDRQET-STQMWFEESA-N 300.273 5.116 30 10 DKEE C=C[C@H](CCCCC)OC[C@@H](N)c1ccc(Cl)c(Cl)c1 2239511524 VUMNVZRARNVNON-CZUORRHYSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1cc2cscc2s1 2292779127 LZFKEAQKJNTZLO-AWEZNQCLSA-N 309.500 5.116 30 10 DKEE C=CCCCCCC[C@@H](OCCN)c1cc(C)c(Cl)s1 2294014615 FNNXZOJNXNGTQB-CQSZACIVSA-N 315.910 5.253 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc(C(F)F)cs1 2295592911 WWZSOACEQDKOTK-INIZCTEOSA-N 304.446 6.034 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccccc1Br 2321098274 INUOVVBTVBGAJQ-JKSUJKDBSA-N 310.279 5.092 30 10 DKEE N#Cc1c(Cl)cccc1Nc1cc(C2CC2)ccc1Cl 2363400578 OWOPVAABXMIFHA-UHFFFAOYSA-N 303.192 5.486 30 10 DKEE C=CCC1(NCCCc2cc(Cl)cc(Cl)c2)CCCC1 2366821394 PFXQCUHHNCOBHX-UHFFFAOYSA-N 312.284 5.405 30 10 DKEE C=C(c1ccccc1)[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2377374834 ORMUWMFVRFIJKG-MRXNPFEDSA-N 310.199 5.106 30 10 DKEE Cc1ccc(C)c(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 83194289 OSKOYLGKXXWKDB-SOFGYWHQSA-N 305.204 5.506 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(O[C@H](C)CC)cc1 100048481 RVQSWYSZWMSYSN-NQIIRXRSSA-N 319.533 6.265 30 10 DKEE CC(C)[C@@H]1CC[C@H](C)/C(=C\c2ccc(Br)cc2)C1=O 100479715 XXWIKUUTIWHVPA-XGUPYTNOSA-N 321.258 5.104 30 10 DKEE CCCCCCCCCOc1ccc([C@@H](O)CC)cc1OC 107717340 DFJFWFQIAMZPOQ-KRWDZBQOSA-N 308.462 5.268 30 10 DKEE CCCCCCCCCOc1ccc(C(=O)CC)cc1OC 107717355 XYKFWEBTULJTGE-UHFFFAOYSA-N 306.446 5.417 30 10 DKEE CCCCCCCC[C@H](N)Cc1cccc(Br)c1 109719514 NDKPCQOUHCRMGD-INIZCTEOSA-N 312.295 5.070 30 10 DKEE N#C[C@H]1CCCC[C@@H]1Nc1c(Cl)cc(Cl)cc1Cl 110161750 PFWZCPWENOAZPL-PELKAZGASA-N 303.620 5.141 30 10 DKEE CCCCCCCCSc1ccc(CNC(C)(C)C)cc1 124321541 AJBDFIBEPOWGGP-UHFFFAOYSA-N 307.547 6.027 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(Br)c(Cl)c1 229741096 ZYVJSAHIHICCPY-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(OCc2ccccc2)cc1 309813748 NMRNJFKZWVRMOK-NRFANRHFSA-N 309.453 5.402 30 10 DKEE Cc1nc(Oc2cc(Cl)cc(Cl)c2)c(Cl)cc1C#N 311694638 KXIUHOWVXFQIQA-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(C)=O)[C@@H]2CC[C@]1(C)C3 616590510 ZDQKBBBMAIKRIT-RKYRPXKFSA-N 314.513 5.935 30 10 DKEE Cc1cccc2c(/C=N\Cc3ccccc3)c(-c3ccccc3)[nH]c12 1084155448 BRZBRCRJMDEFHQ-JLPGSUDCSA-N 324.427 5.762 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cc(Cl)ccc1Cl 1892439722 WOBALSSWTMKNON-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE SCCCCCCSCc1ccccc1Br 1902032955 OKKAQRQTMOBELY-UHFFFAOYSA-N 319.333 5.173 30 10 DKEE CCCCCCCCC[C@H](O)CCCNCc1ccccc1 1915221878 GODFEFUBFJQNOD-FQEVSTJZSA-N 305.506 5.058 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CCC)C(C)C 1922072650 WSOKTHPVLQXJDW-LEWJYISDSA-N 317.517 5.200 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(Cl)cc1C#N 1931999417 YUBPBPRMQUQGHO-OAHLLOKOSA-N 312.844 5.263 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1scc(C)c1Br 1996469199 HGOZCGVJTBINJS-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Br)sc1C 2026021199 GLXLLFQDNCJGSD-ZDUSSCGKSA-N 316.308 5.345 30 10 DKEE C=CCCCCCCNc1cc(Br)cc(OC)c1 2085850792 ZEJNTUOOXJGDRM-UHFFFAOYSA-N 312.251 5.006 30 10 DKEE C=C([C@H](NCC)c1ccc(C)c(Br)c1C)C(C)(C)C 2107988198 PXBICHZGKWPSCI-INIZCTEOSA-N 324.306 5.319 30 10 DKEE CCCCCC#CC[C@H](N)c1cc(C)c(Br)c(C)c1 2138964481 WPONNVRHUOGFOP-INIZCTEOSA-N 322.290 5.040 30 10 DKEE C=CCCCCCCNc1cc(OC)c(Cl)cc1Cl 2141913411 HVHWKUBERXGTMQ-UHFFFAOYSA-N 302.245 5.550 30 10 DKEE C[C@@](O)(CC#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2149859874 ZTAFJAGHUMTLNY-QGZVFWFLSA-N 311.252 5.175 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(-c2cccs2)cs1 2164106509 CGSGCWCHPDVCIC-SUMWQHHRSA-N 305.512 5.730 30 10 DKEE Cc1cc([C@@H](O)[C@]2(C#N)CCCC(C)(C)CC2)sc1Cl 2165373647 POQZXBSSBDHAOT-CZUORRHYSA-N 311.878 5.244 30 10 DKEE C=CCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2173116778 ZFBQGVVJLWYUPR-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE C=C1CC(CC(=O)c2ccc(-c3ccccc3Cl)s2)C1 2182151504 XITKXIKPMYNDSR-UHFFFAOYSA-N 302.826 5.608 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1cccc(Cl)c1Cl 2206895250 RXRQUZJJZXKJEG-MRXNPFEDSA-N 315.240 5.123 30 10 DKEE C=CCCCCCC[C@H](C[C@H](C)P(C)(C)=O)NCCC 2206901266 ASJCYINLWLLBNM-DLBZAZTESA-N 301.455 5.283 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCCCCCC 2212659263 CIKJLZQOUADFAJ-LJQANCHMSA-N 322.493 5.442 30 10 DKEE CCCCCCCC[C@H](C)N[C@H]1CCC=C1Br 2217313849 NCOJPMAERCQHOI-ZFWWWQNUSA-N 302.300 5.156 30 10 DKEE C=C(CC)C[C@H](NC)c1cc(Br)cc(C(C)C)c1 2254718741 IDQIGZTYMADSBM-INIZCTEOSA-N 310.279 5.189 30 10 DKEE C=CCCCCCCCSc1nc([C@H](C)NCC)cs1 2287069113 ALLBFOVAKHTAHS-AWEZNQCLSA-N 312.548 5.432 30 10 DKEE CCCCCCCCC[C@H](O)c1csc(C(C)(F)F)n1 2289392614 XXBQCYHOSZDBTK-ZDUSSCGKSA-N 305.434 5.429 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1 2323461371 CWFLSEZRTSGYAL-UHFFFAOYSA-N 306.405 5.100 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340804481 GTSYMRILYCZFEI-CQSZACIVSA-N 304.236 5.530 30 10 DKEE CCCCCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1C 2364438889 UGUUHBXADNOFPB-OAHLLOKOSA-N 317.304 5.557 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(F)c(Cl)c1F 2370481939 INYLNXFBRRGRDD-JKSUJKDBSA-N 301.808 5.261 30 10 DKEE C=CCC(C)(C)[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2370517363 AYHFPJAAXDGBKN-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc(F)c(Cl)cc2Cl)C1 2377318324 XMQMDBHHZQWKPU-MRXNPFEDSA-N 316.247 5.530 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C)N2 20714574 QSMQKHUGSNJSNU-WOIUINJBSA-N 317.432 5.386 30 10 DKEE C=CC[C@H](Sc1nc2cc(Cl)ccc2o1)c1ccccc1 72262808 NLDYJGSKDCTXEA-INIZCTEOSA-N 315.825 5.891 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1cccc(C(F)(F)F)c1 94589317 YYNRIVHCDRIMAH-NSHDSACASA-N 308.434 5.390 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(OC(C)C)cc1 100048470 YYGVKYSYOPKAFT-FQEVSTJZSA-N 305.506 5.875 30 10 DKEE C=CCOc1ccc2ccccc2c1CNCCCCCCC 100126306 STWMHXKXWGHGRL-UHFFFAOYSA-N 311.469 5.465 30 10 DKEE C[C@@H](CC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)(C)C 111650607 MKBIWYQSKJEVMU-CMPLNLGQSA-N 312.240 5.242 30 10 DKEE N#Cc1ccc(Cl)c(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 127778001 XPELSQSOPXUTID-QGZVFWFLSA-N 317.219 5.428 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 135408379 FWWMXIOLXFNHLB-CABCVRRESA-N 306.412 6.065 30 10 DKEE CCC[C@H]1CCCN(c2cccc(SCC)c2C#N)CC1 136671176 VOVQGZPRAOSBCA-HNNXBMFYSA-N 302.487 5.077 30 10 DKEE CSc1cccc(N[C@@H](C)c2ccccc2Cl)c1C#N 167581905 HPTQHOALHPDJGD-NSHDSACASA-N 302.830 5.107 30 10 DKEE N#Cc1c(Br)cccc1Nc1ccc2ccccc2c1 168517978 KEMSMCPWOSKCIC-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE C(=C\c1ccccc1)\C(/C=C\c1ccccc1)=NNc1ccccc1 219755552 ADLATSFXARVWCP-YGGBKCGDSA-N 324.427 5.881 30 10 DKEE CCCCCCC[C@H](C)NCC[C@@H](C)N(C)Cc1ccccc1 379629755 OZBARFCASZUXQK-VQTJNVASSA-N 318.549 5.236 30 10 DKEE CC[C@H](C)CC(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405909476 FOBQQYNFGMMLMF-UQTJOTSZSA-N 317.429 5.052 30 10 DKEE CCCCCCCCCCNC(=O)c1ccccc1OCCC 1861871523 DNVSIYVBZKMUMQ-UHFFFAOYSA-N 319.489 5.346 30 10 DKEE C[C@](N)(CC#CC1CCCCC1)c1cc(Cl)sc1Cl 1886684086 HXDOGDHDENQIPJ-HNNXBMFYSA-N 316.297 5.203 30 10 DKEE CCCCCCCCCO[C@H](CC)CNCc1ccccc1 1915426001 BFMSOYLSFUQOHL-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C1(CN)CCC1 1915762938 TUURTVNHWRIKFE-UHFFFAOYSA-N 316.533 5.121 30 10 DKEE CCCC1CCC(C#N)([C@@](C)(O)c2ccc(Cl)s2)CC1 1921102102 JURWDPQFZMOZBE-NRAUKZCXSA-N 311.878 5.109 30 10 DKEE C=CCCCCC[C@@H](N)c1cscc1OCc1ccccc1 1934839390 ROMIGUNREPKVTN-GOSISDBHSA-N 315.482 5.463 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)CC2CC2)C1 1946843385 YPSGTWSKJDNJHD-NJYVYQBISA-N 324.512 5.253 30 10 DKEE C=CCCCCCC(=O)c1cc(C)cc(Br)c1F 2028916974 GLDXXNAUBOLMKE-UHFFFAOYSA-N 313.210 5.216 30 10 DKEE C=C(C)C[C@H](N)c1ccc(-c2cccc(Br)c2)s1 2045619134 CHHQMPPNLCLIFS-ZDUSSCGKSA-N 322.271 5.144 30 10 DKEE CC(C)Cc1ccc(Cn2nc(C3CCCCC3)cc2C#N)cc1 2070098983 DTCKUAPOCKPLEW-UHFFFAOYSA-N 321.468 5.049 30 10 DKEE CC1(C)CC[C@H]([C@@H](C#N)c2ccc(Br)cc2F)C1 2085289603 CWSMPOAEJJJHJD-GXFFZTMASA-N 310.210 5.022 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2139114397 CUDVRKOEGFQGPA-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE O=C(CC#CC1CCCCC1)Cc1ccc(Cl)c(Cl)c1 2149859387 WXGXJLAWBABMSE-UHFFFAOYSA-N 309.236 5.079 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ccsc1Cl 2154633101 WALBKHQADALSKP-MRXNPFEDSA-N 315.954 6.712 30 10 DKEE CCN[C@H](CC#CC1CCCCC1)c1cc(C)c(Cl)s1 2165430890 ZCKWHOIAOZKNKH-OAHLLOKOSA-N 309.906 5.334 30 10 DKEE C=CCCCC[C@H](NCCC)c1csc(C(F)(F)F)c1 2179678464 NHIHQOXOPBZWCP-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE C=CC1(CNCc2cc(-c3cccs3)cs2)CCCC1 2189515742 ZDFGDXYZYPVEFQ-UHFFFAOYSA-N 303.496 5.313 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(-c2cccs2)s1 2205863703 WPJYAONOOPMODR-KRWDZBQOSA-N 308.512 6.045 30 10 DKEE C=CCCCCOC[C@H](NCC)c1c(Cl)cccc1Cl 2234045156 WXMSWFCIHZPNPZ-HNNXBMFYSA-N 316.272 5.017 30 10 DKEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234052784 BXYYOZAWNYEJNB-SMDDNHRTSA-N 312.240 5.386 30 10 DKEE FC(F)c1ccc(NCCCC(F)(F)C(F)(F)F)cc1 2240397104 IPSWCWYLCXXVDD-UHFFFAOYSA-N 303.221 5.014 30 10 DKEE CCCCCCCC[C@@](C)(O)c1c(F)ccc(F)c1Cl 2240626987 GATONBLQGCHHQG-MRXNPFEDSA-N 304.808 5.576 30 10 DKEE C=C(C)CCCC[C@@H](N)c1c(C)sc(C)c1Br 2250141700 ZZLYYECDQGQGRM-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE SCCCCCCCSc1cc(Cl)cc(Cl)c1 2252652502 BQQNNGGKVZMVBI-UHFFFAOYSA-N 309.327 5.966 30 10 DKEE CC(C)c1cc(Br)cc(C2=CCCCCC2=O)c1 2254750279 CXKFVXRHJPYPOD-UHFFFAOYSA-N 307.231 5.099 30 10 DKEE CCc1ccc(NCC=CC#CC(C)(C)C)c(Br)c1 2268763691 SZQFTSLKJFCGTH-UHFFFAOYSA-N 320.274 5.029 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1c(Cl)cccc1Cl 2271784837 HYHOMSVRDRYCQC-HNNXBMFYSA-N 300.273 5.781 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc(Cl)sc1Cl 2276757673 CFUPLKQPDFGYJG-GFCCVEGCSA-N 324.317 5.432 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1cscc1Cl 2277356907 CLIQKSSFANCBEL-OAHLLOKOSA-N 303.899 5.169 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cscc1Br 2304062640 NTQXVZMQAOKJAN-KBPBESRZSA-N 316.308 5.154 30 10 DKEE CCOc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1 2314359244 WQNHNDQGSYGWHA-UHFFFAOYSA-N 320.363 5.274 30 10 DKEE Cc1c(CO[C@@H](C)CC(C)(C)C#N)ccc(Cl)c1Cl 2339521308 UVXUYGOGBNPWGE-JTQLQIEISA-N 300.229 5.147 30 10 DKEE C=CCC(C)(C)[C@H](N)c1c(C)c(C)c(Br)c(C)c1C 2345965295 FOXMNMWRSUACLG-MRXNPFEDSA-N 324.306 5.285 30 10 DKEE CSc1cc(SCc2ccc(Cl)cc2)ccc1C#N 2353847029 ZJXNBRNFWCSJPW-UHFFFAOYSA-N 305.855 5.226 30 10 DKEE CCC(CC)c1nc(C#N)c(N/N=C/c2ccc(C(C)C)cc2)o1 7260802 LNOHIZDZTLVKHZ-CIAFOILYSA-N 324.428 5.019 30 10 DKEE N#Cc1ccc(-c2csc(-c3ccc(F)cc3Cl)n2)cc1 62938237 YGIOWWNOZCSWDI-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE Cc1ccc(/C=C/C(=O)c2c(C)cc(OC(C)C)c(C)c2C)cc1 83193451 OMFGFVDPHPOKCV-VAWYXSNFSA-N 322.448 5.604 30 10 DKEE SCCCCCCCCCOc1ccc2c(c1)CCCC2 97799822 DXLRLCZXVNNSSE-UHFFFAOYSA-N 306.515 5.605 30 10 DKEE CCCCCCCCCC[C@@H](CN)Cc1ccccc1Cl 110181718 JFKHOQKFYNPCPH-QGZVFWFLSA-N 309.925 5.988 30 10 DKEE CCCCCCCCNc1c2ccccc2nc2ccccc12 111456855 ZGGVGGSBCHXRLU-UHFFFAOYSA-N 306.453 6.160 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2ccc(C(C)(C)C)s2)CC1 166296994 MZZJFFJLLOYYKH-CRPOECCBSA-N 305.487 5.189 30 10 DKEE CCCCCCCCCCCCc1ccc(C(=O)C=NO)cc1 254384147 OIOYVXNLOUYMEY-UHFFFAOYSA-N 317.473 5.793 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cccc(OCc2ccccc2)c1 303759924 IBQOMIHRGPFRKH-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE CCCCCCCCC[C@]1(O)CCN(Cc2ccccc2)[C@H]1C 309689628 CMPJNFPKXUXOJN-FPOVZHCZSA-N 317.517 5.153 30 10 DKEE C#CCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 686701592 VVIFLLLJBIPHFH-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE CC1(C)CC(C)(C)CC(C=O)(CCOCc2ccccc2)C1 687968074 GQLFUMZULAPXEO-UHFFFAOYSA-N 302.458 5.015 30 10 DKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@@H](C#N)C(C)(C)C 698852154 PKWLCNOYELKAAU-AWEZNQCLSA-N 322.836 5.020 30 10 DKEE CC[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698913752 FOBZVSVMYJWOCH-WFASDCNBSA-N 322.836 5.020 30 10 DKEE N#Cc1sc(-c2cscc2Cl)c(-c2cccs2)c1N 711567316 QWMZMGKGIUYWME-UHFFFAOYSA-N 322.867 5.312 30 10 DKEE C=C1CCC(CN[C@@H](CC)c2ccc(Cl)c(Cl)c2)CC1 724450881 CLAJBSCIBHBRTR-KRWDZBQOSA-N 312.284 5.781 30 10 DKEE Oc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1O 1084187660 ULTXYLRPALNCQM-UHFFFAOYSA-N 317.348 5.264 30 10 DKEE CCSc1ccc(/C(C)=N/OCc2cccc(Cl)c2)cc1 1857937001 TXEWFUFXRNTNDT-CPNJWEJPSA-N 319.857 5.393 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 1885238385 VROICWDTUVFMPL-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE CCCCCCCCCN(CCCC(=O)O)Cc1ccccc1 1915156716 HBFFNVOEOVWCOQ-UHFFFAOYSA-N 319.489 5.104 30 10 DKEE C=C(COCc1ccccc1)[C@]1(O)CCC[C@H](C(C)(C)C)CC1 1922116124 NNTAPBMWEHSHOB-FPOVZHCZSA-N 316.485 5.117 30 10 DKEE CCCCCC#CC[C@@H](N)c1ccccc1OCc1ccccc1 2024369812 JNCFNCFOFIUJGH-OAQYLSRUSA-N 321.464 5.239 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc(Cl)sc2Cl)C1 2061728757 OFUCIOBIALJBLO-GFCCVEGCSA-N 304.286 5.452 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1c(C)cc(C)cc1C 2070130578 HKATZDRVDDAQHB-GOSISDBHSA-N 320.480 5.447 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cccc(Br)c1C 2083291609 KYWWJMBJUHGRGH-LRDDRELGSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1ncc(Cl)s1 2142430191 CAUOVGCQVLRVDT-CYBMUJFWSA-N 300.899 5.493 30 10 DKEE C=CCC[C@@H](C)[C@H](CSc1cccc(Cl)c1)NCCC 2158319743 GEWTWHBBXNBACF-PBHICJAKSA-N 311.922 5.403 30 10 DKEE N#CC1([C@@H](O)c2cc3sccc3s2)CCCCCCC1 2205533040 ZCGNTZAYNLRIGY-HNNXBMFYSA-N 305.468 5.250 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205936342 CKJVOROTENQQQL-UONOGXRCSA-N 305.512 5.730 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1nc(Cl)cs1 2207402503 CEZNYQDTGZSQGB-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE Cc1cc(Nc2cc(Cl)c(C#N)cc2F)c(F)cc1Cl 2234749101 UQXJEKVYRASHCV-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C=CCCCCCCC[C@H](O)c1cnc(C(F)(F)F)s1 2235540781 APWXXBPOUDBNQN-NSHDSACASA-N 307.381 5.112 30 10 DKEE C=C[C@@H](CC)OC[C@@H](NCCC)c1cccc(Cl)c1Cl 2239484536 RURHGNWBWQNNOQ-SWLSCSKDSA-N 316.272 5.015 30 10 DKEE CCCCCCCCC[C@](C)(N)c1occc1Br 2263666810 UAEGURDEFASYRI-HNNXBMFYSA-N 316.283 5.357 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2316953456 SGWOMAZXJAJCPN-CYBMUJFWSA-N 306.664 5.485 30 10 DKEE Fc1ccccc1CON=C(c1ccc2c(c1)CCCC2)C1CC1 2330306416 FRLBOJDZCGMCEJ-UHFFFAOYSA-N 323.411 5.035 30 10 DKEE C=CCC(CC=C)OC(=O)C=Cc1c(Cl)cccc1Cl 2360214419 IHRAYRSRLZROTQ-UHFFFAOYSA-N 311.208 5.071 30 10 DKEE N#C[C@@H](CCOc1cccc2ccccc12)c1cccc(F)c1 57688383 OFBHRKTUWVFJBE-QGZVFWFLSA-N 305.352 5.055 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cccc(Cl)c1F 113940942 DBOJJRMUYJXFED-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCCCC(=O)Cc1ccc(Cl)cc1 115858307 CCJHUQQUOARJBX-UHFFFAOYSA-N 308.893 6.373 30 10 DKEE CC(C)(C)c1ccc(CNc2cc(C#N)ccc2Cl)s1 166051529 SXEQMEYWKASGBM-UHFFFAOYSA-N 304.846 5.183 30 10 DKEE CCCCCCCC[C@H](O)c1cccc(Br)c1F 232925372 KXSRAEILRXVWCL-AWEZNQCLSA-N 317.242 5.372 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(Cl)c(F)c1 235237969 WKDWCPDASFFECE-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCCC[C@@H](NC)c1c(C)cccc1Br 381201775 CFQCUOBLUQKAEP-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCOc1cccc(Br)c1C=O 394821241 XNMQVRVPHBRGFL-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE N#Cc1c(F)c(F)c(-c2cccc(Cl)c2Cl)c(F)c1F 514260888 YRDAOUWOWBTKIB-UHFFFAOYSA-N 320.072 5.088 30 10 DKEE CCc1ccc(N=C2N[C@@H](C(C)(C)C)CCS2)cc1Cl 691289946 BNQQACFKRCZRMX-CQSZACIVSA-N 310.894 5.031 30 10 DKEE CCCCCCCC[C@H](NC)c1csc(C(F)(F)F)c1 703561925 MXIUOSQSFBHOAR-ZDUSSCGKSA-N 307.425 5.778 30 10 DKEE CCCCCCCNCc1ccc(SC(F)(F)F)cc1 703738011 BSUHSPGGGDAVOO-UHFFFAOYSA-N 305.409 5.359 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C(C#N)(CC(C)C)CC(C)C 710749992 BIVJLCISONJWIB-INIZCTEOSA-N 324.509 5.377 30 10 DKEE C=CCOc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1874622277 VRXDOLYIFFRKRJ-OVCLIPMQSA-N 320.432 5.445 30 10 DKEE C=C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CCC1 1892935106 VCPZSFNLEIFBNU-RNCFNFMXSA-N 318.675 5.652 30 10 DKEE C=C(C(C)(C)C)[C@@]1(O)CCC(C)(C)C[C@H]1OCc1ccccc1 1977458648 BRCWAFIORZVXMA-NQIIRXRSSA-N 316.485 5.115 30 10 DKEE C=CC1(C[C@H](N)c2ccccc2OCc2ccccc2)CCC1 1980026183 FYFUHNQKUZLXQP-IBGZPJMESA-N 307.437 5.012 30 10 DKEE CCCC[C@@](C)(C#N)Cc1ccc(Br)cc1Cl 2000515615 RUONTTHZYROFKK-CQSZACIVSA-N 314.654 5.365 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2ccccc2OCc2ccccc2)CC1 2010760523 LMLHLISVYBJEER-QGZVFWFLSA-N 320.432 5.585 30 10 DKEE N#Cc1cc(Br)ccc1CSCC1CCCCC1 2028822759 ULDXREULZRHVAI-UHFFFAOYSA-N 324.287 5.134 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(F)ccc1Br 2045997643 MEHPBVRXAXNYHZ-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Br)cc1C 2102110025 CUIKILXAEQMOAQ-DYVFJYSZSA-N 324.306 5.401 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)c2ccc(F)cc2Br)C1 2128746493 SEFLPVAOYIIPNO-YFCNSXCBSA-N 324.237 5.268 30 10 DKEE Cc1cc(OCC2(CS)CCCCCC2)c(C)cc1Cl 2193330400 AZKFGUQJTUCUTK-UHFFFAOYSA-N 312.906 5.606 30 10 DKEE CCCCC#CC[C@H](Cc1ccc(Cl)cc1Cl)NCC 2203785719 ASFJNJFTMHVFTK-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE C=CC1(n2c(S)nc3cc(C)c(Cl)cc32)CCCCC1 2206593963 STSOQQSDEZBTGD-UHFFFAOYSA-N 306.862 5.132 30 10 DKEE C=C([C@H](Cc1cc(Cl)ccc1Cl)NCC)C(C)(C)C 2225679996 WCFZRLZPTOTDND-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE CN[C@H](C#CC1CCCC1)c1c(Cl)ccc(Cl)c1Cl 2273899722 KJQAUOCPOBPOMD-CYBMUJFWSA-N 316.659 5.101 30 10 DKEE CCCCCCCCC[C@@H](OCCN)c1sccc1Cl 2293569870 OFQKOQKLTNBMCR-OAHLLOKOSA-N 317.926 5.559 30 10 DKEE CCCCCCC[C@](C)(OCCN)c1cc(Cl)sc1C 2293918071 GQJXMKRUWJSBTR-INIZCTEOSA-N 317.926 5.261 30 10 DKEE C=CCCCCCCC[S@@](=N)(=O)C[C@@H](CC)CCCC 2295699458 KIGKSFLOZNATBV-FXAWDEMLSA-N 301.540 5.776 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1c(F)cc(C)cc1Br 2321177824 UWRMIRBZNIREIR-OAHLLOKOSA-N 313.210 5.072 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cccc(Cl)c1Cl 2344341765 DZELPRWKASZDSQ-JKSUJKDBSA-N 300.273 5.636 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(C)cc(Br)c1 2344382140 DYSIYWZSXOYABR-SJORKVTESA-N 324.306 5.401 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@](C)(CS)C(C)(C)C 2352106537 GJRSWVDXOLYYBV-OAHLLOKOSA-N 321.313 5.663 30 10 DKEE Cc1c(F)ccc(C[C@]2(C#N)CCCC(F)(F)C2)c1Cl 2364762444 UJOWGCAKWXQWNK-CQSZACIVSA-N 301.739 5.049 30 10 DKEE C=CCCC[C@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377412837 CBVUCTKBSHSUCC-CYBMUJFWSA-N 318.263 5.400 30 10 DKEE C=C[C@H](CC(C)(C)CC(C)(C)C)c1ccc2cccnc2c1O 5138117 VOHHCUUIBNXCNP-OAHLLOKOSA-N 311.469 6.063 30 10 DKEE Cc1ccc(Cl)cc1Nc1ccc(C(F)(F)F)cc1C#N 37333982 UNLNNBICRKSWET-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 83201721 VESZXENTMHRJCC-DHZHZOJOSA-N 300.785 5.025 30 10 DKEE CCCCCCCCCCCCCC(=O)N(C)c1ccccc1 100441888 OWFDJCUIKGUCBM-UHFFFAOYSA-N 317.517 6.351 30 10 DKEE CCCCCCCCCCCn1c(CCO)nc2ccccc21 101904692 NDEUHSOWHQNVRE-UHFFFAOYSA-N 316.489 5.102 30 10 DKEE CCCCCCCCCNc1ccc(C(F)(F)F)cc1Cl 111613738 GNPFMZOFTYCTSE-UHFFFAOYSA-N 321.814 6.521 30 10 DKEE N#Cc1ccc(Cl)c(NCc2cc(Cl)ccc2Cl)c1 125755733 FGMPZGCPZHZHQL-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCCCCCOc1cccc(Cl)c1CNC 127551464 SXMRZHUNTKMRAK-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCCCCCNCc1cccc(Cl)c1Cl 129252625 YWXXBJWJFHQDLU-UHFFFAOYSA-N 316.316 6.224 30 10 DKEE CCCC(CCC)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 211823730 BSBSECHGRCCTJW-LBPRGKRZSA-N 312.240 5.386 30 10 DKEE CCCCCCCCCCCCC(=O)CNCC(F)(F)F 226638842 DYWKVRUFHIBQBD-UHFFFAOYSA-N 309.416 5.018 30 10 DKEE C=CCC[C@H](NCCC)c1cc(C)c(Br)c(C)c1 228392626 ZEQVLSUMTNYEJH-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(F)c(F)c1Br 231867930 RDAZBABSHGYYJS-GFCCVEGCSA-N 321.205 5.121 30 10 DKEE Clc1ccc(C=NN=C(c2ccccc2)c2ccccc2)s1 254622955 CSKZZNWKAVMRMJ-UHFFFAOYSA-N 324.836 5.273 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(Br)ccc2C)C1 314180236 MGTNKWOUCUCPJH-RHSMWYFYSA-N 320.274 5.410 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(C)cnc1Br 381032421 TUMWFUZYCYUMIF-ZDUSSCGKSA-N 313.283 5.313 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(F)cc(Br)c1 387264292 LWTVNRZZBYMVAC-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE CC/C(=N\OCc1cccc(Cl)c1)c1ccc(Cl)cc1 821220180 YPEVCSIYEWZPPJ-KNTRCKAVSA-N 308.208 5.324 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(F)cc1OCC 1866117975 OUBBOHRIOKJEGN-UHFFFAOYSA-N 323.452 5.095 30 10 DKEE CCCCCCCCC[C@H](N)[C@](C)(O)c1ccc(Cl)s1 1920282285 BKBVCBCBAODKGC-BBRMVZONSA-N 317.926 5.077 30 10 DKEE CCCCCCC[C@](C)(N)c1scc(Br)c1C 1922935402 PIMXRYSRETYHRS-AWEZNQCLSA-N 318.324 5.353 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cscc1Br 1996471867 WYYGACIYHYIFSY-BXUZGUMPSA-N 316.308 5.154 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 2013162848 HCQOYPBXXMLXRO-QHAWAJNXSA-N 324.512 5.419 30 10 DKEE C=C(CC)CC[C@@H](NCCC)c1ccc(Br)cc1 2050513877 USIUNWCAQRDFIP-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1ccc(C)cc1F 2070122941 BPPORYJGQDUUIM-NRFANRHFSA-N 324.443 5.359 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(Br)c(F)c1 2077433348 QXDWPJZKSFAFTA-OAHLLOKOSA-N 317.242 5.156 30 10 DKEE C=CCCCCCC[C@@H](N)c1cccc(F)c1Br 2085855702 DIQLMMGMSIIJRS-CQSZACIVSA-N 314.242 5.115 30 10 DKEE C=C(Br)CCNc1ccccc1Oc1ccccc1 2107184717 JTZVRZDTJYCALX-UHFFFAOYSA-N 318.214 5.190 30 10 DKEE C=C(C)CC[C@@H](N)c1ccc(-c2ccc(Br)cc2)o1 2107770937 NWVATDHLSUUUNS-CQSZACIVSA-N 320.230 5.065 30 10 DKEE N#Cc1cc(Br)ccc1NC1CCCCCCCC1 2112434216 NZRHPDKZWNVVRT-UHFFFAOYSA-N 321.262 5.236 30 10 DKEE CCCCCCCCCC[C@]1(C(=O)O)CCS[C@H](C)C1 2159712524 NSXRIHWMFMOAHH-WBVHZDCISA-N 300.508 5.504 30 10 DKEE CC#CCC[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164158724 AOTGCWPTBZFLIY-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CCCC1(CCC)CC(C#N)(c2cc(Cl)cc(Cl)c2)C1 2203963216 XVIXWBIQUZCCPS-UHFFFAOYSA-N 310.268 6.135 30 10 DKEE Cc1cc(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)sc1C 2235756366 JERFAXYWZPJPBH-LLVKDONJSA-N 324.232 5.162 30 10 DKEE C=C(C)CC[C@H](N)c1c(Cl)cc(Br)cc1Cl 2243539637 WWROATOVOFLAAV-NSHDSACASA-N 323.061 5.112 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(C)ccc1Br 2271799536 UHCNBLMQVHOHDW-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCCCCC[C@](C)(N)c1cc(Cl)sc1C 2278167324 SKVFHPHQORRWEH-INIZCTEOSA-N 301.927 6.025 30 10 DKEE CCCOc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2324055294 NBFLONHJVYFXKA-UHFFFAOYSA-N 322.448 5.669 30 10 DKEE C=C(C)CC[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340804675 JRBWSZASIKTYEF-AWEZNQCLSA-N 304.236 5.530 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(Cl)ccc1Cl 2344343554 OTKYDPCPPCHJED-HOTGVXAUSA-N 300.273 5.636 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349840569 OCDIRAGQEQTFRJ-HNNXBMFYSA-N 304.236 5.530 30 10 DKEE CC1(C)CC=C(C(=O)CCc2cc(Cl)cc(Cl)c2)CC1 2366881193 NHZYNCHZMQYQRE-UHFFFAOYSA-N 311.252 5.632 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(Cl)cc1C(F)(F)F 2370536104 UVQAUASPJARBLP-CQSZACIVSA-N 304.739 5.534 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 37936077 GKWFBAHHOCGMSU-CQSZACIVSA-N 310.706 5.036 30 10 DKEE CCCC(CS)(CCC)CN(CC(C)C)C(CC)CC 94582117 HFBWSWCIHOYALB-UHFFFAOYSA-N 301.584 5.649 30 10 DKEE CCCCCCCCCNc1ccc(Br)c(C)c1 110155906 LAQBMIIPIRIINY-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE C=C(C)CCC(=O)c1ccc2cc(Br)ccc2c1 123295345 ANIQDPKZTUUPTF-UHFFFAOYSA-N 303.199 5.141 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCCC1)c1cccc(Cl)c1F 212209996 CTHVNRCPKZXHOH-CQSZACIVSA-N 307.796 5.016 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(F)c1 215040766 DNQKHGLDIJEYQB-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#Cc1cccc(Oc2ccc3cc(Br)ccc3c2)c1 227634072 BQBZKTSWPXTCMI-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE Cc1cc(NCCCCC(C)(C)C#N)cc(C)c1Br 232032827 SCGNCCNNEBMMAR-UHFFFAOYSA-N 323.278 5.198 30 10 DKEE CCCCCCCCCC[C@@H](O)c1scc(C)c1Cl 232952664 ICVYCCVOMZMVMA-CQSZACIVSA-N 302.911 6.274 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)[Si](C)(C)C(C)(C)C 238126651 YITXYSRBIYBDIE-CQSZACIVSA-N 311.542 5.012 30 10 DKEE COc1ccc(N=C(Sc2ccccc2)c2ccccc2)cc1 254716146 WQCNOEZEOVEAHI-UHFFFAOYSA-N 319.429 5.566 30 10 DKEE CC(C)c1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 254836164 OAXBGVGQXKPNCT-UHFFFAOYSA-N 314.432 6.304 30 10 DKEE CCCCCCCNCc1c(Cl)ccc(Cl)c1Cl 703770072 GKNVEPRCJGDGDH-UHFFFAOYSA-N 308.680 5.707 30 10 DKEE CC/C(=N\OCc1cccc(Cl)c1)c1ccc(F)c(C)c1 821224329 MSBVTYGANKSDDC-LVZFUZTISA-N 305.780 5.118 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(Cl)c(C)c1 1865984952 PORHEEACELPRLO-UHFFFAOYSA-N 323.908 6.508 30 10 DKEE CC#CCCCCC[C@@H](NCC)c1ccccc1Br 1885238036 UJWVXBWEOHEDQE-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCC(C)(C)[C@H](C[C@@H](C)COCc1ccccc1)NCCC 1903138097 YAJAABGFWCHTRO-QUCCMNQESA-N 317.517 5.200 30 10 DKEE CCCCCCCCC[S@](=N)(=O)C1CCC(F)(F)CC1 1918060518 ZZNXXXMPDPDZJD-FQEVSTJZSA-N 309.466 5.362 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)cc(Cl)c1)[Si](C)(C)C 1922974301 QVGIFSYMNYLFBO-OAHLLOKOSA-N 316.348 5.468 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)c1cccc(Cl)c1C#N 1932045298 PDPWHDFSEGSCFU-UHFFFAOYSA-N 312.844 5.264 30 10 DKEE CCCCCCC[C@]1(N)CC(C)(C)[C@@H]1OCc1ccccc1 1934859125 DSEUWFWVMNEVOG-ICSRJNTNSA-N 303.490 5.060 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc(Cl)c(Cl)s1 2142440267 QRBWRBDFRSFGSY-ZDUSSCGKSA-N 320.329 6.362 30 10 DKEE C=CCCCCC[C@H](N)c1cccc(SC(F)(F)F)c1 2154636967 PKRMSDHRPJOWOC-AWEZNQCLSA-N 303.393 5.435 30 10 DKEE CCCCCCCCC[C@@]1(N)CCC[C@H](P(C)(C)=O)C1 2160806897 RJJWDPPJRPAQHW-DLBZAZTESA-N 301.455 5.390 30 10 DKEE CCCCCCC[C@H](NC)c1cc(-c2cccs2)cs1 2164070904 UXAJZJGKDUPBAG-HNNXBMFYSA-N 307.528 6.098 30 10 DKEE CCc1ccc(C#N)c(OCc2cc(Cl)cc(Cl)c2)c1 2197907113 MADMBTHLKZUPEE-UHFFFAOYSA-N 306.192 5.006 30 10 DKEE C#C[C@@H](Nc1cc(Cl)c(F)c(Cl)c1F)c1ccccc1 2200734566 WRDGRYPVEPTLRI-LLVKDONJSA-N 312.146 5.058 30 10 DKEE C=CCCCCCC[C@@H](CSc1ccc(Cl)cc1)NC 2206900299 SCCMDPWIHUAJKJ-INIZCTEOSA-N 311.922 5.547 30 10 DKEE C=CCCCCCCCOc1cc(F)ccc1Br 2220089344 PNAKHGQVZJEZLN-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE C=CCCCCCCCn1ccc2c(Br)cccc21 2227281570 GZOMYJMRBJXMPK-UHFFFAOYSA-N 320.274 5.930 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cccc(Cl)c1Cl 2231540509 YRDBXYPTXADOMU-LRDDRELGSA-N 300.273 5.116 30 10 DKEE SC[C@H](CSc1nc(-c2ccccc2)cs1)C1CCC1 2234271775 NPZZJWAXZHLTEJ-CQSZACIVSA-N 321.536 5.248 30 10 DKEE C=CCCCCCCC[C@@H](O)c1csc(C(F)(F)F)n1 2235520347 YSUVTYDEBJLWBO-GFCCVEGCSA-N 307.381 5.112 30 10 DKEE C=C(C)CC[C@H](NCC)c1sc(Br)c(C)c1C 2247229023 RSYWXDLZTHUUSS-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE FC1CC(CS)(CSCCCCCCCC2CC2)C1 2265783778 CCFNYVKKFDRHIL-UHFFFAOYSA-N 304.540 5.518 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1cc(Cl)cs1 2276136031 DJKSMKZAGYSLFG-CQSZACIVSA-N 303.899 5.169 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CCC1CC(F)C1 2285668065 OWLQXQBOZMMVPA-PMTKGXAQSA-N 305.503 5.312 30 10 DKEE C=CCCCCCCCSCc1nnsc1NCCC 2287189354 LVYXASWMXOUKCF-UHFFFAOYSA-N 313.536 5.120 30 10 DKEE C=CCCCCCCCSCc1cc(Cl)nc(CC)n1 2287194688 VAIYQAMUGLYCQM-UHFFFAOYSA-N 312.910 5.452 30 10 DKEE CCCCCCCCOc1c(Cl)cc(CCN)cc1Cl 2296276647 KHDPWOPKLUNKDR-UHFFFAOYSA-N 318.288 5.234 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccc(Cl)c(Cl)c2)cc1 2297331317 DJPGQDUGSZXJNU-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE Cc1cccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2297351317 NNACYQNFKORHFN-UHFFFAOYSA-N 313.400 5.471 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(Cl)cc(Br)c1 2304057400 CUCBLYHFCZQLAN-UONOGXRCSA-N 316.670 5.095 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cccc(Br)c1Cl 2304086521 QWFFEQZNNSKSRH-AWEZNQCLSA-N 315.638 5.278 30 10 DKEE C=CCSC[C@@H](NCCC)c1ccc(Cl)c(C)c1Cl 2353128471 VRXVQGFWCPRSIU-CQSZACIVSA-N 318.313 5.262 30 10 DKEE C=CCC(CC=C)N[C@H](Cc1cccs1)c1cccs1 2360213136 PGFIDYMHDAQSEO-MRXNPFEDSA-N 303.496 5.204 30 10 DKEE C=CCC(CC=C)SC[C@H](NCC)c1ccccc1Cl 2360339228 YENJPOKRRHTFCI-KRWDZBQOSA-N 309.906 5.245 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(OC)c(Cl)s1 2365817850 XXWXKUHFASNPMH-LBPRGKRZSA-N 318.914 5.055 30 10 DKEE C=CC1(C[C@@H](CCc2cc(Cl)cc(Cl)c2)NC)CCC1 2366804384 SXEJZLLLCVHLFP-MRXNPFEDSA-N 312.284 5.260 30 10 DKEE CC[C@H]1CC[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)C1 2366901164 VEYYPIWWKIFCSG-SUMWQHHRSA-N 310.268 6.036 30 10 DKEE C=C1C[C@H]1[C@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2367654440 SILWEPLLTFXMGZ-SJORKVTESA-N 312.284 5.260 30 10 DKEE COc1ccc2c(c1)CC/C(=C/c1ccc(C(C)C)cc1)C2=O 1046428 ZJBPUADNTWPCMA-PDGQHHTCSA-N 306.405 5.031 30 10 DKEE C[C@H](Nc1ccccc1SC(F)F)c1ccc(C#N)cc1 21008947 JYACCWDLDSZPMQ-NSHDSACASA-N 304.365 5.046 30 10 DKEE COc1cc(Cl)c(Cl)cc1C(=O)/C=C/c1ccc(C)cc1 83192673 GJWOXALLSONEAC-BQYQJAHWSA-N 321.203 5.207 30 10 DKEE CCC1CCC(C#N)(Cc2ccc(Br)cc2)CC1 87933672 XAWHVMWRMADRJH-UHFFFAOYSA-N 306.247 5.102 30 10 DKEE CCCCCCCCCCCCCC[C@H](OC)C(=O)OC 100036349 IQHRUOSDBAXDKA-KRWDZBQOSA-N 300.483 5.266 30 10 DKEE CCCCCCCN1CC(CC)(CC)Oc2ccc(O)cc21 104678347 JSFSSFAAJCNWGF-UHFFFAOYSA-N 305.462 5.120 30 10 DKEE CCCCCCCCCC[C@H](Cc1csc(C)n1)NCC 109743067 UWSPFNWNBJGBHE-QGZVFWFLSA-N 310.551 5.503 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(C(F)(F)F)ccc1Cl 109748055 XNQSOQGJOYLBIJ-GFCCVEGCSA-N 321.814 6.520 30 10 DKEE CCCCCCCCCC[C@@H](CN)Cc1ccc(Cl)cc1 110180733 XZQUPTOBRIZLPH-GOSISDBHSA-N 309.925 5.988 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cccc(Cl)c1F 113940844 QKEOEZSBKDRVTP-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE CSc1cccc(Oc2ccc(C(F)(F)F)cc2)c1C#N 136711367 PMYLPCTWBQOCOY-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE CCCCCCCCCC[C@@H](N)c1snnc1C(C)(C)C 143413400 GVZMTIVDYPRYQE-CQSZACIVSA-N 311.539 5.366 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)Cc1ccc(F)cc1 157251152 NXSWDVQDHAKGJQ-AWEZNQCLSA-N 301.430 5.147 30 10 DKEE C=CCSc1ccccc1NCc1c(Cl)cccc1OC 228743066 ZMHHOENWKCFRSS-UHFFFAOYSA-N 319.857 5.239 30 10 DKEE CSc1cc(C2(C#N)CCCC2)cc(SC)c1SC 260611470 NXZODMKUSBRYRC-UHFFFAOYSA-N 309.525 5.188 30 10 DKEE COc1cc(CSc2ccc(Cl)cc2Cl)ccc1C#N 322492605 CPCNDOURGSJXOE-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE CC[C@@H](C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698858264 MQKNJMJKOSTUNR-PBHICJAKSA-N 316.445 5.065 30 10 DKEE CC[C@@H]1CCCCC[C@@]1(C#N)Nc1ccc(Br)cc1 709171505 CYALYZCXFWTYFA-CJNGLKHVSA-N 321.262 5.114 30 10 DKEE C=C(Cl)C[C@H](NCC)c1c(Cl)cccc1C(F)(F)F 712539429 ULUXGYKSXOQREA-NSHDSACASA-N 312.162 5.152 30 10 DKEE CCCCCCCCC(=O)C[C@H](C)COCc1ccccc1 719624590 MGRXDOYBAIIRMF-SFHVURJKSA-N 304.474 5.549 30 10 DKEE C=C1CCC(CNc2c(Cl)cccc2C(F)(F)F)CC1 724566913 SAQKLQDVRXXLNC-UHFFFAOYSA-N 303.755 5.517 30 10 DKEE C=CCCC[C@@H](N)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925639644 FKYKHPLBEBTBQZ-MRXNPFEDSA-N 318.461 5.007 30 10 DKEE C=CCCCCCC(=O)c1cc(C)sc1Br 1940024076 WMOVNLXOHROGED-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C#C[C@@H](C)c1cc(Cl)cc(Cl)c1NC(=O)OC(C)(C)C 1951828060 CFUVWVNHGVJLDX-SECBINFHSA-N 314.212 5.077 30 10 DKEE CCC(C)(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1989852447 AKBZQSLMSCITOT-IBGZPJMESA-N 316.445 5.147 30 10 DKEE Cc1c(Br)cccc1CC1(C#N)CCC(C)CC1 2027195826 UUEBDYSNPOYUBJ-UHFFFAOYSA-N 306.247 5.020 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](C)c1cccc(C(C)C)c1 2070156575 GOSZPDDCCJJBRB-QGZVFWFLSA-N 314.432 5.264 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(C)ccc1Br 2123087392 AZVOJURIOXCFDB-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCC1CC(Nc2cc(Br)cc(C#N)c2)C1 2123470107 FZQRXBPRMKEFQC-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CCCCCC[C@H](NCC)c1c(F)ccc(F)c1Cl 2164100406 WWEAWKSAPRFTOC-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE SCCCCCCCCCN1CCSC2(CCCC2)C1 2170899900 MOLCFDULSXWLOA-UHFFFAOYSA-N 315.592 5.009 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@](C)(=O)CC1=O 2172987854 MEFBKDAPNFDEFX-UZLBHIALSA-N 300.423 5.489 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cc(C(F)(F)F)cs1 2173633255 HKSXMVMOYSPVOQ-AWEZNQCLSA-N 301.377 5.420 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(-c2cccs2)cs1 2206883469 AZHFFSDOMDVBQW-OAHLLOKOSA-N 305.512 6.003 30 10 DKEE C=CCCCCCCCCC[C@@H](N)C[C@H](C)P(C)(C)=O 2207402097 IMUTUUXOZSOBST-DLBZAZTESA-N 301.455 5.412 30 10 DKEE C=CCCCCC[C@H](NC)c1scc(Br)c1C 2213770662 NTCCFHRWEOPDSU-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC[C@H](NCCC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 2238720234 QWKCCJUUTDQLAL-INIZCTEOSA-N 312.284 5.474 30 10 DKEE C=C(C)CCCC[C@@H](O)c1c(Cl)cccc1C(F)(F)F 2287465334 JMQNFCZXDUUBNZ-CYBMUJFWSA-N 306.755 5.529 30 10 DKEE CCCCCC#CCC(=O)c1sc(C(F)(F)F)cc1C 2295007065 STJPUGANKMLOQJ-UHFFFAOYSA-N 302.361 5.232 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2ccc(CCCC)cc2)cc1 2323536447 XCRWFPRKDYOYKO-UHFFFAOYSA-N 320.432 5.490 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCC)c1c(Cl)cccc1Cl 2335188720 SZXIHKINNAGBMQ-RISCZKNCSA-N 318.313 5.342 30 10 DKEE C=CC[C@@](C)(NCCCc1cc(Cl)cc(Cl)c1)C(F)F 2366830549 AIDKWOJFAWLCIK-OAHLLOKOSA-N 322.226 5.116 30 10 DKEE C=C/C=C/C/C=C/C[C@H]1O[C@H]1CCCCCCCCCCC 78686778 MNOQVNSRLYAHLG-VHNMLVNESA-N 304.518 6.753 30 10 DKEE CCSc1ccc(C)cc1C(=O)/C=C/c1sccc1C 83193189 RGUPSEATNHPSHY-SOFGYWHQSA-N 302.464 5.373 30 10 DKEE CC(C)c1ccc(C(=O)/C=C\Nc2cc(Cl)ccc2F)cc1 103030053 IFXYJMLGZAQIOB-KTKRTIGZSA-N 317.791 5.411 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(C(F)(F)F)ccc1Cl 110153816 FPNWJZHDIZAIOP-GXFFZTMASA-N 316.754 5.243 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1Cl 111041392 ABVZWOFBNNABOK-GWCFXTLKSA-N 316.754 5.243 30 10 DKEE C=C(CNc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 148000155 YRGPULXQRYFUJK-UHFFFAOYSA-N 311.734 5.484 30 10 DKEE CCCCCCCCOc1ccc(C#N)cc1Br 213276799 SEJKDOWRDGWTHR-UHFFFAOYSA-N 310.235 5.060 30 10 DKEE CCCCCCCOc1nc(NCC)c(Cl)cc1Cl 226624727 XHZSBSSMAUMLNL-UHFFFAOYSA-N 305.249 5.169 30 10 DKEE CCCCCCCCCn1ccc2c(Cl)cc(Cl)cc21 232964562 RRZUJQZSQDJCDS-UHFFFAOYSA-N 312.284 6.699 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc(Cl)sc1Cl 233124671 MOMZDOJHOVNKAV-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C[C@H]1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1 253390296 AEJUOGPJFWDBOL-HWGZDBTHSA-N 300.448 5.276 30 10 DKEE N#Cc1ccc(Br)cc1NCC1CCCCCCC1 311287971 NXCKZXHYOSXXAR-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(C(F)(F)F)s1 395052509 OFRBZNTVWIFJAX-GFCCVEGCSA-N 307.425 5.778 30 10 DKEE C=CCCC[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl 398182852 OVDSCBMSVRDTIP-JTQLQIEISA-N 306.664 5.481 30 10 DKEE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(Br)cc1C#N 691074419 JYKONGZZNWRXGZ-DOMZBBRYSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@H](O)c1csc(C(F)(F)F)c1 703611512 AYKLBKMDUUDDRB-ZDUSSCGKSA-N 308.409 5.941 30 10 DKEE C[C@H](CC(C)(C)C#N)N(Cc1ccccc1)Cc1cccs1 1915378524 OOMQMSUXXXJYLF-MRXNPFEDSA-N 312.482 5.079 30 10 DKEE C=C(C)CN(CCSC1CCCCC1)Cc1ccccc1 1957457754 YVXWDGRFDOTEEC-UHFFFAOYSA-N 303.515 5.131 30 10 DKEE C=CCCCCCCCCN[C@@H]1CC[C@H]1OCc1ccccc1 1995327482 IMESIYQFFAUTOI-NHCUHLMSSA-N 315.501 5.241 30 10 DKEE C=C(Cl)C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2000326161 HWLDGVQMGTVMMF-JTQLQIEISA-N 313.055 5.440 30 10 DKEE CCCCCCCCCCNCC1(Br)CCC1 2002768819 RNBGSXOGYBIIGD-UHFFFAOYSA-N 304.316 5.034 30 10 DKEE CSc1c(C(F)F)cc(C(F)(F)F)cc1C(F)(F)F 2060212584 UNOWSAIFJVMKMK-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CCc1c(OC(F)(F)F)ccc(C(F)F)c1C(F)(F)F 2060360560 UIBNNIRIDROLEJ-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(Br)co1 2086259164 MDZMMASQZNSXGN-AWEZNQCLSA-N 315.251 5.382 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(Cl)c(Cl)s2)C1 2098752852 SJIUCGLMUOKROH-IUPBHXKESA-N 318.269 5.198 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ncc(Cl)s1 2154629687 COANFGLGNDPIMZ-CQSZACIVSA-N 316.942 6.107 30 10 DKEE SC[C@@H](COc1ccc(Cl)c2ccccc12)CC1CC1 2169171732 ANSVPAMAKYPBKE-CYBMUJFWSA-N 306.858 5.218 30 10 DKEE O=C(C=C1CCCC1)c1ccc(-c2ccc(Cl)cc2)s1 2177050133 HHGNTXFKGGPRMP-UHFFFAOYSA-N 302.826 5.752 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cc(Cl)cc(Cl)c2)CC1 2181673445 NITCLVFWGTWVDS-CYBMUJFWSA-N 311.252 5.949 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1ccc(C(F)(F)F)s1 2206992890 ZNKJICAFDFTLGU-CQSZACIVSA-N 306.393 5.501 30 10 DKEE C=CCCCCCCCN(CCC(C)(C)O)Cc1ccccc1 2211144418 DFJDZLLLFXLDCA-UHFFFAOYSA-N 317.517 5.176 30 10 DKEE CNc1cccc(C#Cc2cc(Cl)c(Cl)c(Cl)c2)c1 2224323386 SEDMOCASBLOFGP-UHFFFAOYSA-N 310.611 5.088 30 10 DKEE COc1cc(Sc2ccc(Cl)cc2Cl)ccc1C#N 2225958221 UABPVYQTXFDHPM-UHFFFAOYSA-N 310.205 5.025 30 10 DKEE CCCCCCCCCOC(=O)c1cc(Cl)cc(Cl)n1 2239531480 SLFFAJHXPHJPQK-UHFFFAOYSA-N 318.244 5.296 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1occc1Br 2259231921 RSYLNPTZXHWHAM-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2293115877 XYMULKFGTLJBNS-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2295006839 QZFVHQZQEZMNMH-MFKMUULPSA-N 305.409 5.328 30 10 DKEE CCCCCCCCC[C@H](C)NCC[C@H](C)P(C)(C)=O 2295668064 DINNNRWQEUPFFG-IRXDYDNUSA-N 303.471 5.507 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CCC(=Cc1ccc(Cl)cc1)C3=O 2297453891 PUTWMPQVIJJQLO-UHFFFAOYSA-N 321.807 5.342 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2344336251 HRVGVHPSNSEPLS-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE CCN[C@@H](C#CC1CCCC1)c1ccc(Cl)c(Cl)c1C 2364397098 IESDWCKFWBWHKV-INIZCTEOSA-N 310.268 5.146 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccc(Cl)cc1Cl 2370484136 XYMCYHSVYHRECM-SJORKVTESA-N 314.300 6.027 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 14549856 IDVMBNGZFZMBSR-UEXGIBASSA-N 321.395 5.217 30 10 DKEE CCCCCCCCNc1ccc(OCCCCCCC)cc1 100033771 HYEUVWKNYRLQNJ-UHFFFAOYSA-N 319.533 6.808 30 10 DKEE CCCCCCCCCn1c(-c2ccco2)nc2ccccc21 102193685 RLYGGMHSTHOBEC-UHFFFAOYSA-N 310.441 6.047 30 10 DKEE Cc1cccc(C)c1N/C=C\C(=O)c1ccc(Cl)cc1Cl 104611753 VDOCTLHAMASMHX-HJWRWDBZSA-N 320.219 5.419 30 10 DKEE CCCCCCCCCCCCCC(=O)Nc1cccnc1 104664826 NRAWCSKRIODXTP-UHFFFAOYSA-N 304.478 5.721 30 10 DKEE CCCCCCC[C@](C)(NC(C)C)c1nc(CC)c(C)s1 109690740 MJCHMVVDAVVZAF-SFHVURJKSA-N 310.551 5.588 30 10 DKEE CCCCCCCCO[C@H](c1ccc(Cl)s1)[C@@H](N)CC 109988953 DNSGJDLOKLSTMO-BBRMVZONSA-N 317.926 5.557 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Br)cs1 112721541 ODEKKLVRSNQASY-CYBMUJFWSA-N 318.324 5.522 30 10 DKEE CSc1cccc(Oc2cc(Cl)ccc2Cl)c1C#N 136703026 XHTNWQDWHVLBIN-UHFFFAOYSA-N 310.205 5.379 30 10 DKEE Cc1ccc([C@@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)s1 163962691 MYVDUAUANGBYCP-SNVBAGLBSA-N 310.344 5.120 30 10 DKEE CCCCCCCCCCC(=O)c1cc(Cl)cc(Cl)c1 165083047 NRMYGYNNTDSPTR-UHFFFAOYSA-N 315.284 6.707 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Br)ccc1Cl 167790872 QPMBXZKXNGZLLQ-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C/C(=N\O)c1ccc(C)cc1OCc1ccc(Cl)c(Cl)c1 215514242 RPXBCSXWRIUKGK-YBFXNURJSA-N 324.207 5.079 30 10 DKEE CCCCCCCCCCNc1c(C)cc(Cl)nc1Cl 232918122 BIRUYDHWKJWJLH-UHFFFAOYSA-N 317.304 6.249 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(C)cc(Br)c1 233607109 QIUDXGUDULIQOS-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1Cl)c1ccc(Cl)c(F)c1 235567108 WKDWCPDASFFECE-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC1([C@H](C#N)Nc2ccc(Br)cc2)CCCCCC1 394761082 WHLLNXPBYZVFFY-HNNXBMFYSA-N 321.262 5.114 30 10 DKEE CCCCCCCCC[C@H](CCOCc1ccccc1)NCC 395564967 OHUVQUCYAFCUQT-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)CC1CCCCCC1 698406001 IWPUYGJTDNEZPX-RDJZCZTQSA-N 322.493 5.275 30 10 DKEE C=CC(C)(C)CCN[C@H]1CCOc2c(Cl)cc(Cl)cc21 701891142 MYNIYUZDZKRJQE-AWEZNQCLSA-N 314.256 5.009 30 10 DKEE CCCCCCCC[C@](C)(N)c1c(Cl)cccc1Cl 704515871 PDHUAWXLEODSIB-INIZCTEOSA-N 302.289 5.918 30 10 DKEE C[C@H](CCC#N)n1ccc2c(OCc3ccccc3)cccc21 720855940 KCQHCEXBQMPFQL-MRXNPFEDSA-N 304.393 5.085 30 10 DKEE Cc1cccc(N=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 1084264548 VAOUFOVVKOSEDO-UHFFFAOYSA-N 316.448 5.770 30 10 DKEE Cc1ccc(NN=Cc2ccc(N(C)c3ccccc3)cc2)cc1 1084481276 SCDKXITUXNGSOI-UHFFFAOYSA-N 315.420 5.209 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874594962 MRVXTQYXIYQMEW-ZHACJKMWSA-N 312.796 5.191 30 10 DKEE CCOc1ccc(N=CC=C2N(C)c3ccccc3C2(C)C)cc1 1933295839 PXHUEJKVEQLIQW-UHFFFAOYSA-N 320.436 5.099 30 10 DKEE C=C(C)CCCN[C@H](C)c1ccc(OCc2ccccc2)cc1 1935967634 SLSHACQPUAXHLK-GOSISDBHSA-N 309.453 5.273 30 10 DKEE CCCCCCCC[C@@H](O)C1CC(OCc2ccccc2)C1 1958678265 CNZBRVMOUFLHLS-SOAGJPPSSA-N 304.474 5.093 30 10 DKEE C=CCCCCC(=O)c1cc(Br)c(Cl)s1 1975338294 ADXLUUQDVNTWBK-UHFFFAOYSA-N 307.640 5.093 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1ccccc1OCc1ccccc1 1975928656 QPMHNTMRXYMMEL-UTKZUKDTSA-N 309.453 5.128 30 10 DKEE CC1(C)CCC[C@@](C=O)(CN(Cc2ccccc2)C(C)(C)C)C1 1980273169 BEOXNCRLVSJLIX-NRFANRHFSA-N 315.501 5.073 30 10 DKEE C=CCCCCCCCC[C@@H](N)CCCOCc1ccccc1 1995328158 OXQJJGQXVYOMDM-OAQYLSRUSA-N 317.517 5.618 30 10 DKEE C=CCC[C@@H](NCCC)c1cccc(Cl)c1Br 2000389552 DZJYLUFIEZJYLR-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE CCCC[C@@](C)(C=O)Cc1ccc(Cl)cc1Br 2000515069 YLSUTMQPCUAGDC-CQSZACIVSA-N 317.654 5.040 30 10 DKEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(C)c(Br)c1 2043816323 FGMPJXATWNIARK-KBPBESRZSA-N 310.279 5.153 30 10 DKEE Cc1cc(Cl)cc(Cl)c1N=C1N[C@](C)(C(C)C)CS1 2136371051 LYDVZHSJTGSOFU-AWEZNQCLSA-N 317.285 5.040 30 10 DKEE Cc1cc(Cl)cc(Cl)c1Nc1ccc(C#N)c(Cl)c1 2136385086 XKVPPTRFSDCAFC-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1ccccc1Br 2138962610 HARHLCIUWGANBU-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCCCCCC[C@H](NN)c1cc(Cl)ccc1Cl 2141921818 CXLWNLQODVOWGS-HNNXBMFYSA-N 301.261 5.024 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H](N)c1cc(Cl)sc1C 2154485251 NGGZWFBMKCCCCF-HOCLYGCPSA-N 317.926 5.211 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(F)c(F)cc1Cl 2168655174 NCNGEVRARWEYGV-BZNIZROVSA-N 301.808 5.261 30 10 DKEE CCCCCCCCCCCC[C@@H]1CCSCC[C@@H]1O 2181693733 IFCNHSHLEMJQMM-MSOLQXFVSA-N 300.552 5.802 30 10 DKEE CCCCCCCN(C)CCOc1ccc(Cl)cc1Cl 2196714939 PGNOOMCONYZDOL-UHFFFAOYSA-N 318.288 5.274 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1cccc(Cl)c1Cl 2206895249 RXRQUZJJZXKJEG-INIZCTEOSA-N 315.240 5.123 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(F)cc1OC 2207361054 GCNZTWQZMNSIAP-HNNXBMFYSA-N 302.817 5.272 30 10 DKEE C=C(Br)CCOCCCCCCCCCCC 2216918806 BYEWHXMROVILAZ-UHFFFAOYSA-N 305.300 5.833 30 10 DKEE CCN[C@H](C#CC(C)(C)C)c1c(Cl)ccc(Cl)c1Cl 2225418717 SNMAJAGUNQJKFV-GFCCVEGCSA-N 318.675 5.347 30 10 DKEE C[C@H](c1cccs1)N(CC#CC1CCCC1)Cc1ccccc1 2245356104 XBTBBNBVGAQRKD-GOSISDBHSA-N 323.505 5.505 30 10 DKEE C=CCCCCCCCSc1ccncc1Br 2250026367 COVXQYUYEDYBGD-UHFFFAOYSA-N 314.292 5.463 30 10 DKEE Cc1cc(Cl)c(Cl)cc1Nc1c(F)cc(C#N)cc1F 2281510811 OCDUGGQBGHIKNB-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C=CCCCCCCCSc1ccc(CNC(C)C)s1 2287079056 KMZJHTPLZOUORQ-UHFFFAOYSA-N 311.560 5.865 30 10 DKEE C=CCCCCCCCSC[C@@H]1CSc2ccccc21 2287198833 RLYVUUWUMKJVPT-MRXNPFEDSA-N 306.540 6.136 30 10 DKEE C=C(C)CCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2287413653 KRHFWRVLCUJPCH-OAHLLOKOSA-N 314.300 5.651 30 10 DKEE Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1C#N 36926963 WISURSVSVLMDCB-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 36930843 KFLRHJMYSOBDHI-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE N#Cc1ccc(Sc2ccc(Cl)cc2)cc1C(F)(F)F 37306495 SBQNAJMYGGYAAN-UHFFFAOYSA-N 313.731 5.382 30 10 DKEE CC(C)(C#N)c1ccc(NCc2cc(Cl)cc(Cl)c2)cc1 37423983 UMDXUVHPXJDQJQ-UHFFFAOYSA-N 319.235 5.407 30 10 DKEE CCCCCCCC[C@@H]1CCC[C@@H]1NCCCCCC(=O)O 43439802 LDSBMPQRBGVMMF-MSOLQXFVSA-N 311.510 5.140 30 10 DKEE CCCCCCCCNCc1ccc(-c2ccccc2)s1 105807732 BJLNSAVXIYHIRO-UHFFFAOYSA-N 301.499 5.865 30 10 DKEE CCCCCCCCNCc1ccc(C)c(Br)c1 127832696 HMFXLHLAPPINSQ-UHFFFAOYSA-N 312.295 5.208 30 10 DKEE CCCCCCCCNCc1ccc(SC(F)(F)F)cc1 159173053 PUKWLJMGWYZDOO-UHFFFAOYSA-N 319.436 5.749 30 10 DKEE CCCCCCCCCC[C@H](N)c1ccc(Br)o1 162332091 JIVPXASAYRQHHL-ZDUSSCGKSA-N 316.283 5.573 30 10 DKEE CCCCCCCC[C@@H](N)Cc1cc(Cl)ccc1Cl 167049992 XCOIBIUMHKTZFU-OAHLLOKOSA-N 302.289 5.614 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(C)ccc1Br 233543278 XKSIKARGGRSADY-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CC1(C)CCC[C@H](Nc2ccc(C#N)c(Br)c2)CC1 312030507 XYGUJORDKLAADQ-ZDUSSCGKSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCC[C@@H](O)[C@@H](C)OCc1ccccc1 404145957 PUKZWEIUAFVPHL-UYAOXDASSA-N 306.490 5.483 30 10 DKEE CCCCCCCCCC(=O)c1nscc1Br 404988824 FWPQSLSXABPKBJ-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE CCC(CC)(CS)CN(C)Cc1cc2cscc2s1 693858507 YEJHERCGYMSQCD-UHFFFAOYSA-N 313.557 5.131 30 10 DKEE CCC[C@](C#N)(C1CCCC1)N(C(=O)OC(C)(C)C)[C@H](C)CC 698421447 ZUKLUYUXQSZEEZ-BEFAXECRSA-N 322.493 5.275 30 10 DKEE Cc1cc(Nc2cccc(Br)c2Cl)ccc1C#N 709168337 RVMGNUROERYJIR-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCC1CCC(C=O)(C[C@@H](C)COCc2ccccc2)CC1 719592459 MTWZHELLULJAOC-PGYGNJIDSA-N 302.458 5.015 30 10 DKEE Fc1ccc(OC(F)(F)F)cc1-c1ccccc1C(F)(F)F 1848368660 OOOZHBCLUACASY-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C=CCCCN(CC)CCSc1cc(Cl)ccc1Cl 1884130036 IMVWCAIXEAIOLW-UHFFFAOYSA-N 318.313 5.374 30 10 DKEE C=CC[C@H]1CCCN1CCSc1cc(Cl)ccc1Cl 1884130092 IXMJMDDXDNSSIH-ZDUSSCGKSA-N 316.297 5.126 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@@H](C)C(=O)O 1902400220 SBMOPEKJUKUHQJ-SFHVURJKSA-N 319.489 5.102 30 10 DKEE CCCCCCCCCC[C@](C)(O)c1csc(Cl)c1 1919977425 ZJIPLQYUOIUFEL-INIZCTEOSA-N 302.911 6.140 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cc(Br)c(Cl)s1 1978546994 DZDWUVLVKXMGTM-KCJUWKMLSA-N 322.699 5.027 30 10 DKEE Cc1ccc(Cl)cc1-c1ccc(/C=C/C(=O)c2ccccc2)o1 2060405998 WHISANXTONVFRV-PKNBQFBNSA-N 322.791 5.805 30 10 DKEE CCCCCCCCN1CCc2cccc(Br)c2C1 2093520360 CWWQBTMKFTYYPE-UHFFFAOYSA-N 324.306 5.168 30 10 DKEE CCCCCCCCC[C@H](N)c1csc(C(F)(F)F)n1 2144135294 VHNHPRKGOXHJLN-NSHDSACASA-N 308.413 5.302 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H](O)c1ccsc1Cl 2148576967 BBHLZYWSTOIOIF-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H]1SCC[C@H]1C 2150856022 IVMJAABCKFCLSE-FGTMMUONSA-N 300.552 5.800 30 10 DKEE C#C[C@@H](CC(C)C)N[C@H](c1cccs1)c1ccc(Cl)s1 2234702977 OGEGJHKFUDTSMW-BLLLJJGKSA-N 323.914 5.190 30 10 DKEE CCCCCCCC[C@@](C)(N)c1csc(C(F)(F)F)n1 2240620747 YCTQGFBYDCNXOM-CYBMUJFWSA-N 308.413 5.086 30 10 DKEE C=CCCCCCC[C@H](NN)c1cc(Cl)c(Cl)cc1C 2286524968 PBOWXCCIDRQQKP-INIZCTEOSA-N 315.288 5.333 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cscc1C(F)F 2287407883 BFGQXNSWCBHHKT-HNNXBMFYSA-N 301.446 5.863 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(C)c(Cl)cc1Cl 2294764625 WRONCYJZLROYNO-CQSZACIVSA-N 316.316 6.853 30 10 DKEE CCCOc1ccc(C(=O)C=Cc2ccccc2OCCC)cc1 2322605055 ARQMNNXMPYBAIM-UHFFFAOYSA-N 324.420 5.160 30 10 DKEE Cc1ccc(NN=Cc2ccc(OCC(C)C)cc2)cc1Cl 2322974719 XEBDUNSEPQFAMZ-UHFFFAOYSA-N 316.832 5.129 30 10 DKEE N#Cc1ccc(NCCCC2=CCCCC2)cc1Br 2340966690 KNCROZHYJOMCJL-UHFFFAOYSA-N 319.246 5.013 30 10 DKEE C=CC[C@H]1CCCCN(Cc2ccc(Cl)c(Cl)c2C)C1 2364028231 BSBHUGFOBHGPNE-AWEZNQCLSA-N 312.284 5.480 30 10 DKEE N#Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc12 11887726 LCDNFOUJQYJKLS-UHFFFAOYSA-N 311.743 5.083 30 10 DKEE CN(C)c1ccc(/C=N/CC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 17299372 UDPZGNISCLCXBZ-SUGKSIDNSA-N 324.512 5.168 30 10 DKEE N#CCc1ccc(N[C@@H]2CCSc3ccc(Cl)cc32)cc1 37301967 WVXSUYXJLUWDAN-MRXNPFEDSA-N 314.841 5.055 30 10 DKEE N#Cc1cc2ccccc2nc1Oc1cccc(Cl)c1Cl 71390569 GJBDDQSUINLQGN-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 83204669 FAIUNKAAFLNIBQ-LFYBBSHMSA-N 300.785 5.025 30 10 DKEE SCCCCCCCCCn1cc(-c2ccccc2)cn1 97799948 OCAPAFSZLQQBEX-UHFFFAOYSA-N 302.487 5.211 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)c1scnc1C 122714873 BXGOTJTVXHHFPJ-MRXNPFEDSA-N 311.539 5.267 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)c1csc(C)n1 122722375 BQYJSNPZXMATHK-MRXNPFEDSA-N 311.539 5.267 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccccc1C(F)(F)F 158031484 CAIWHFQCWJVXKV-MRXNPFEDSA-N 301.396 5.717 30 10 DKEE CSc1ccc(C=Nc2ccc(Cl)cc2Cl)s1 254602097 YSJUYOOLUXCBJO-UHFFFAOYSA-N 302.251 5.527 30 10 DKEE Cc1cc(C#N)cc(N[C@H](C)c2ccc(Cl)cc2Cl)c1 308120051 FJOBUJLIXHSIFQ-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CC[C@H](C)[C@H](C)[C@H](C#N)Sc1cccc(Br)c1 319747245 ITIGRKICJWQSDY-MJVIPROJSA-N 312.276 5.116 30 10 DKEE CCc1csc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)n1 382970392 RDNAMAJJHHYLRC-OUCADQQQSA-N 308.516 5.152 30 10 DKEE N#C[C@H](CNc1cc(Cl)c(F)c(Cl)c1)C1CCCCC1 397212588 YBRDLXKXBDWCNA-LLVKDONJSA-N 315.219 5.264 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 406078225 RVAGHEMWJWFPFD-VIFPVBQESA-N 302.723 5.288 30 10 DKEE CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698864321 BMYQEOWCNQXQKS-GOSISDBHSA-N 308.466 5.029 30 10 DKEE CC[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698912939 XAMQHUHKQOJEKL-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C=CC(C)(C)CCN[C@H](CC)c1ccc(Br)cc1 701863147 FFKKZYOJSGRUCI-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE Cc1ccc(CSc2cc(Cl)cc(Cl)c2)cc1C#N 701881187 QSEACNLXUADYOR-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CC[C@@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 710800109 LIWXQBZFMOZOJI-DNVCBOLYSA-N 316.445 5.065 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)c2ccccc2Br)C1 719359329 BTIMPBXVSLTBKM-JLNYLFASSA-N 306.247 5.129 30 10 DKEE CCCCCCCc1nc(-c2cc(C(=O)O)cs2)cs1 720981097 ISOHZZZWFKBLFY-UHFFFAOYSA-N 309.456 5.083 30 10 DKEE C=C1CCC(COc2cc(C)c(Br)c(C)c2)CC1 724570782 UAVWODHWUFHXGW-UHFFFAOYSA-N 309.247 5.191 30 10 DKEE CCCCCCCCCCN=c1[nH]c2cccc(C(C)C)c2o1 1859793007 VIQJFRWJWPFOQW-UHFFFAOYSA-N 316.489 5.926 30 10 DKEE CCCCCCCCCCNC(=O)CCc1cccc(F)c1 1866124906 KBPARDKRWZVSFV-UHFFFAOYSA-N 307.453 5.015 30 10 DKEE C=CCn1c([C@@H]2C[C@@H]2c2ccccc2Cl)nc2ccccc21 1873514129 YIUPOLKUIPIWCX-HUUCEWRRSA-N 308.812 5.147 30 10 DKEE C=CCOc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874592930 JPIOUYUHAVXCDS-JLHYYAGUSA-N 314.384 5.301 30 10 DKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCCC)cc2)cc1 1874606519 SDLJZUSHWQMNDS-LFIBNONCSA-N 322.448 5.714 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1cc(Cl)sc1Cl)C1CC1 1887488521 IFNBGLVDESAATJ-DGCLKSJQSA-N 316.297 5.145 30 10 DKEE C=CC[C@](C)(CC)[C@H](C[C@H](C)COCc1ccccc1)NCC 1903157033 RTNLVWQZKJPWOE-JBACZVJFSA-N 317.517 5.200 30 10 DKEE N#Cc1cnc(Sc2ccc(Cl)cc2Cl)c(Cl)c1 1917229020 KQKFRTXZOWXWFC-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](N)c1ccc(Cl)c(Cl)c1 1920353640 ZKGMOODBZNFQCY-CVEARBPZSA-N 318.288 5.105 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1cccc(Cl)c1Cl 1920489297 DOINXVPKKJTPKC-QGZVFWFLSA-N 316.316 6.308 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1ccc(CC#N)cc1)C(C)(C)C 1946839759 RADDTNOZKHASEO-SFHVURJKSA-N 320.480 5.189 30 10 DKEE C=C([C@H](NCC)c1sc(Br)cc1C)C(C)(C)C 2000383759 ANPXCUJGACAZTG-LBPRGKRZSA-N 316.308 5.072 30 10 DKEE C=CCC[C@@H](C)[C@H](O)c1cc(Cl)c(C)c(Br)c1 2002244401 NPOKLHMZMVECAS-OTYXRUKQSA-N 317.654 5.047 30 10 DKEE CC(C)(C)C#CC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2045655252 OVGZNONXXGJTIQ-NSHDSACASA-N 304.648 5.086 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(C)c(Br)c1C 2045803940 DRGGQLVSHTYRSL-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE CC(C)c1ccc([C@H](C)n2nc(-c3ccccc3)cc2C#N)cc1 2070123623 NTDVFBNVGVDZON-INIZCTEOSA-N 315.420 5.154 30 10 DKEE C=CCCCCCCCCOc1cccc(Br)c1 2086281759 ZNDOZKJVSXEPFK-UHFFFAOYSA-N 311.263 5.745 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(Cl)c(Cl)s2)C1 2098752853 SJIUCGLMUOKROH-LJWDBELGSA-N 318.269 5.198 30 10 DKEE O=C(C1=CCCC1)c1ccc(-c2ccc(Br)cc2)o1 2107832561 OPXFARBUDUXNIT-UHFFFAOYSA-N 317.182 5.002 30 10 DKEE C[C@H](Nc1cc(Br)cc(C#N)c1)C1CCCCCC1 2116849112 LNONWLPTRQQIMF-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cc(F)ccc1Br 2117015847 WZWQKCNWJUAHRL-INIZCTEOSA-N 324.237 5.241 30 10 DKEE CC(C)C(CCNc1ccc(C#N)cc1Br)C(C)C 2132737657 BOKAIDZFUYCIMV-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE C=C([C@H](NCCC)c1cc(F)c(Cl)cc1F)C(C)(C)C 2152950135 GLMZVNFTWUOZEX-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1c(F)ccc(F)c1Cl 2164225861 BAIOMTVEEHHTJR-MEDUHNTESA-N 301.808 5.261 30 10 DKEE CCCCCCCCC[C@@H](NN)c1csc(C(F)F)c1 2164285175 UAHNKDUZIQHBTG-CYBMUJFWSA-N 304.450 5.331 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1ncc(Cl)n1C 2166107178 AWCZBWQSGOOFOA-CQSZACIVSA-N 300.874 5.028 30 10 DKEE C=C1CC(C[C@H](CSc2ccccc2Cl)NCCC)C1 2182157214 DQWSGYRCXYSFRG-OAHLLOKOSA-N 309.906 5.157 30 10 DKEE CCCCCCCCCCCCN=S1(=O)CCCCC1 2195924898 XUNMBIMWUQSDMQ-UHFFFAOYSA-N 301.540 5.559 30 10 DKEE C=C[C@@H](N[C@@H](c1cccs1)c1ccc(Cl)s1)C1CCC1 2197830779 PBLFDSBIDWGKKY-WBMJQRKESA-N 323.914 5.497 30 10 DKEE CCCCCCCC[C@@](C)(C#N)N(CCC)C(=O)OC(C)(C)C 2212660382 NFHKPHJECNCHAN-IBGZPJMESA-N 324.509 5.666 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(Br)cc1C 2221728915 GMZZVBGYQALWJK-INIZCTEOSA-N 312.295 5.292 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2225679176 NLXWOPOUKILQPV-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE CCc1ccsc1C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234056695 KCQMAWQSNAYTKD-GFCCVEGCSA-N 324.232 5.107 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cc(Cl)cc(Cl)c1 2235541920 MQJNNVBSMGBXSN-INIZCTEOSA-N 315.288 5.415 30 10 DKEE CCCC(CCC)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235757863 OJXVWUMOVRHGIH-CYBMUJFWSA-N 312.240 5.386 30 10 DKEE Cc1ccc(Cl)c(Oc2c(Br)cccc2C#N)c1 2257493340 QZUCRBPZURIAFX-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE Cc1ccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)cc1 2324080740 YBYHYGPAJYXPAB-UHFFFAOYSA-N 321.449 5.181 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)[C@H](C)SC 2361031747 UNLNENHADKTBJX-ZWKOTPCHSA-N 301.584 6.027 30 10 DKEE CCCCCCCC(=O)CCCCC(F)(F)C(F)(F)F 2368119678 ACITXGCXXUMFHY-UHFFFAOYSA-N 302.327 5.674 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 2370482965 QDACJGHNGJQQJL-KBPBESRZSA-N 305.771 5.351 30 10 DKEE CC(C)C1=CC[C@@H](C)/C(=C/c2ccc(Br)cc2)C1=O 261834 AHIWRPYADLRREL-YUSFRKCESA-N 319.242 5.024 30 10 DKEE N#Cc1cc2ccccc2nc1Nc1cccc(Cl)c1Cl 71389752 XUCGFOCPKCNKON-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(F)cc2)c(C)c1Cl 83194240 VIZWNAIXZKLLEW-RMKNXTFCSA-N 302.776 5.300 30 10 DKEE CCCCCCCOc1ccc(CNCC(C)(C)C)cc1OC 100047966 MEFLHJWAFOXTMT-UHFFFAOYSA-N 321.505 5.180 30 10 DKEE Cc1cc(C)c(O)c(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1 103744938 IZKCPVCPBZUICR-XQRVVYSFSA-N 321.203 5.212 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(Cl)c(Cl)cc1Cl 110155384 NRKMGKKHIMBAHG-TVQRCGJNSA-N 317.647 5.531 30 10 DKEE CCCCCCCCCCN[C@@H](C)c1ccc(F)c(Cl)c1 129228001 KMCDNYKESMFHBJ-HNNXBMFYSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCCCCCOc1ccc(CO)cc1 143442426 FMVCFXAHHYSGKF-UHFFFAOYSA-N 306.490 5.869 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)[C@H]1CCCCS1 157712818 NPMNQHNKEXNWDG-RTBURBONSA-N 313.595 6.171 30 10 DKEE O=[N+]([O-])c1cccc(C=Nc2ccc(-c3ccccc3)cc2)c1 254500611 XVFMKHMXKYDTLQ-UHFFFAOYSA-N 302.333 5.012 30 10 DKEE CCCCCCOc1ccc(C(CCCCCC)=NO)c(O)c1 254508707 VPJFRQXRLHPHAJ-UHFFFAOYSA-N 321.461 5.500 30 10 DKEE C[C@@H](Nc1ccc(F)cc1C#N)c1c(Cl)cccc1Cl 400887228 IBQMJTVZAQTUOA-SECBINFHSA-N 309.171 5.177 30 10 DKEE Cc1cc(Br)c(C)c(Oc2ccc(C#N)c(C)c2)c1 686555615 FAJKCGWCLWXOKH-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1ccc(Cl)c(C(F)(F)F)c1 695860898 YFPOOGSOQJHZSU-VIFPVBQESA-N 304.743 5.099 30 10 DKEE CC(C)=CCC/C(C)=C/C=N/OC(=O)c1ccc(Cl)cc1 1088675884 KKNIAGZMTRMNGV-UFTLPMNOSA-N 305.805 5.175 30 10 DKEE CCCCCCC[C@](C)(N)Cc1ccc(Cl)c(Cl)c1 1919525775 QMZSPMQNDQTFQK-INIZCTEOSA-N 302.289 5.614 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cccc(Cl)c1Cl 1920048209 IQXSINQQSYXXEE-QGZVFWFLSA-N 317.300 6.342 30 10 DKEE CCCCCCCCC[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C1 1980244611 SLLMSDUVYANXCB-IBGZPJMESA-N 322.493 5.278 30 10 DKEE CC[C@](C=O)(CN(Cc1ccccc1)C1CCCCC1)C(C)C 1988764828 OPPODGSUEWIQKH-OAQYLSRUSA-N 315.501 5.073 30 10 DKEE C=CCCCCCC[C@H](NC)C1CC(OCc2ccccc2)C1 1995171886 AZCGUFYOPYPZAX-CBNMVNINSA-N 315.501 5.096 30 10 DKEE C=CC1(C[C@](C)(O)c2ccc(OCc3ccccc3)cc2)CCC1 2002638461 XRMNIFYXZVFJBZ-NRFANRHFSA-N 322.448 5.220 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2045679325 VGPWFXOZJZLBGH-OTYXRUKQSA-N 306.664 5.510 30 10 DKEE CCCCC#CC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2138988402 VRMMHEQDCYWPCY-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE C=CCSc1ccccc1N[C@H](CC)CCC(F)(F)F 2144272479 LZWOOEAOCVMFJB-GFCCVEGCSA-N 303.393 5.498 30 10 DKEE CCCCCCCCC[C@H](O)c1ncc(C(F)(F)F)s1 2156063944 ACNNSPHOEODYPH-NSHDSACASA-N 309.397 5.336 30 10 DKEE CCCCCCCCC[C@H](NC)c1csc(C(F)F)c1 2164297493 PGDMPECHKYWQPR-AWEZNQCLSA-N 303.462 6.087 30 10 DKEE N#Cc1c(Cl)cccc1N1CCCC[C@@H]1c1cccs1 2171824818 VOBDYNZMTUTLMQ-OAHLLOKOSA-N 302.830 5.005 30 10 DKEE C=CCCCCCCCCN[C@@H](C)C(F)(F)C(F)(F)F 2207411938 VDERXDHDVQYESZ-LBPRGKRZSA-N 301.343 5.079 30 10 DKEE CCCCCCCC[C@H](C)N[C@H](C)CN(C)Cc1ccccc1 2212666328 DQEQRQJJGIVWFY-VQTJNVASSA-N 318.549 5.236 30 10 DKEE CCc1ccsc1C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235756810 MFSOHAMDKVEZCG-NSHDSACASA-N 324.232 5.107 30 10 DKEE C=C(C)CCCC[C@@H](NCC)C1CC(OCc2ccccc2)C1 2244631185 HHLJATDIFMPSBU-XVAXZDLZSA-N 315.501 5.096 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1sc(C)cc1Br 2250162590 ACQGXADIIXCINZ-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CCCCCCCCC[C@@H](C)NCC1(Br)CC1 2252954322 BASRSRYZENMCRS-CQSZACIVSA-N 304.316 5.033 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Cl)c(Cl)cc1C 2286484771 GZQSDPUUZGUTAO-UHFFFAOYSA-N 313.268 6.401 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cc(Cl)cc(Br)c1 2304057399 CUCBLYHFCZQLAN-KGLIPLIRSA-N 316.670 5.095 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1ccc(Br)c(C)c1 2321145706 RXWXSEYMBOVQBA-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc(Br)ccc1C 2338743532 GHXUSOUMLRNFQJ-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1cc(Cl)c(OC)cc1Cl 2364038896 AGERBFPNFUVXIC-MRXNPFEDSA-N 314.256 5.031 30 10 DKEE C=C(c1ccccc1)[C@H](O)CCc1cc(Cl)cc(Cl)c1 2366863184 LQGVOBMZSVQHAF-QGZVFWFLSA-N 307.220 5.000 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)s1 50039346 XQWQIDUCOCHANK-NSHDSACASA-N 324.232 5.107 30 10 DKEE CCCCCCCCCC[C@@H](Cc1csc(C)n1)NCC 109743064 UWSPFNWNBJGBHE-KRWDZBQOSA-N 310.551 5.503 30 10 DKEE CCCCCCCCC[C@@H](NC)c1snnc1C(C)(C)C 139512628 LYQRYIXQWNLTNU-CQSZACIVSA-N 311.539 5.237 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)[C@@H]1CCCS1 157650430 RVCPMGIIRQUSTN-MOPGFXCFSA-N 313.595 6.171 30 10 DKEE N#CCCCSCc1nc(-c2ccccc2Cl)cs1 191023097 IWSYVWNRDMXNIX-UHFFFAOYSA-N 308.859 5.000 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccoc1Br 232920900 UJSGNGSQQQKQPS-AWEZNQCLSA-N 317.267 5.606 30 10 DKEE C=CCCCCCCN[C@H]1CCc2ccc(Br)cc21 312048349 ALYKNPYCHOBOFF-KRWDZBQOSA-N 322.290 5.163 30 10 DKEE CC(C)C(C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C(C)C 312232721 HXPNMHGBXGURMX-ZDUSSCGKSA-N 312.240 5.098 30 10 DKEE CC1(C)OB(/C=C/C(c2ccccc2)c2ccccc2)OC1(C)C 396665056 PTXGQKBKCHXSEM-FOCLMDBBSA-N 320.241 5.006 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@H](C)OCc1ccccc1 404355854 NZUSWSMOLYTCLB-ICSRJNTNSA-N 303.490 5.096 30 10 DKEE C=CCCSCCN[C@H](C)c1cc(Cl)sc1Cl 696099315 KVBDLXDTTPRFND-SECBINFHSA-N 310.315 5.015 30 10 DKEE CCCCCCCCCCCCSc1nc(CO)cs1 723394298 SXIFRHZQLUNJJI-UHFFFAOYSA-N 315.548 5.648 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc(C)cc(Br)c2)CC1 724598463 BFQKOQZSIQJGAO-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE Cc1ccc(C)c(N=Cc2ccccc2OCc2ccccc2)c1 1084086375 IUKILEXCDBXIEE-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE CCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccc(C)cc1 1614593303 XPESBZVNNUFTDN-PXBNPBHZSA-N 309.458 5.263 30 10 DKEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(Cl)cc1 1859856634 XWHFVABYJWVKQA-UHFFFAOYSA-N 305.768 5.017 30 10 DKEE CC(C)=C(C)C(=O)c1ccc(-c2ccc(Br)cc2)o1 1877431526 XUOAYNMTEFKOBV-UHFFFAOYSA-N 319.198 5.248 30 10 DKEE CCCCCCCCC[S@](=N)(=O)Cc1ccc(Cl)cc1 1917927555 PTHDYUCJANWPAK-FQEVSTJZSA-N 315.910 5.637 30 10 DKEE C=C(Br)CCSc1ccc(Cl)c(Cl)c1 1955992098 WDNJXJDRFXJMDV-UHFFFAOYSA-N 312.059 5.384 30 10 DKEE O=C(C=Cc1ccc(F)cc1)c1ccc(C2CCCCC2)cc1 2053508802 GMSVQGGWTSMJEB-UHFFFAOYSA-N 308.396 5.770 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 2059113573 AWWRAIBIBRNBDS-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE C#CC[C@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)s1 2076093134 UTEGVVKUKLVOSX-JQWIXIFHSA-N 304.286 5.145 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1c(Cl)cccc1Cl 2102112001 PTMUNRUQIOTEFC-MLGOLLRUSA-N 300.273 5.636 30 10 DKEE C=CC1(C[C@@H](NC)c2c(Cl)ccc(Cl)c2Cl)CCC1 2111719319 CTMZAXZBYMZCIO-GFCCVEGCSA-N 318.675 5.654 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc3cccc(Br)c3o2)CC1 2124848014 QGGLGVRWWIFYIQ-JTQLQIEISA-N 319.198 5.124 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H]1CCCCC1(F)F 2197025148 PYPTUTXCTRFDCF-CQSZACIVSA-N 307.494 5.013 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203974786 JJDHUKHELVMXJI-CXAGYDPISA-N 314.300 5.506 30 10 DKEE C=CCCCCCC[C@@H](NC)c1csc(C(F)(F)F)c1 2206892250 PTUOHVKPMFBDCA-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)c(C(F)(F)F)c1 2236292996 PMFBWMVLZNSMFZ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=C[C@H](CCCCC)OC[C@H](N)c1ccc(Cl)c(Cl)c1 2239511523 VUMNVZRARNVNON-CJNGLKHVSA-N 316.272 5.145 30 10 DKEE Cc1cc(Br)cc(OCCCCCCCS)c1 2252611786 NVAXBGVVXPMMGI-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cccc(Br)c1C 2259194263 JMLWMJDDMMEWAU-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCC(CS)(CCC)CSC1CC2(CC(C)C2)C1 2273355910 YMUJYLCDXVJWOQ-UHFFFAOYSA-N 300.577 5.815 30 10 DKEE C=CCCCCCCCSCc1csc(C(=O)OC)c1 2287075253 MDMHJQZMUDCOSK-UHFFFAOYSA-N 312.500 5.295 30 10 DKEE C=CCCCCCCCSc1ccc(Cl)cc1CCN 2287084167 NSRZZAZGHPMWAU-UHFFFAOYSA-N 311.922 5.460 30 10 DKEE CN=C1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 2293777702 MGBVAZJASCWJGJ-GFCCVEGCSA-N 304.220 5.338 30 10 DKEE C[C@H](CC(C)(C)C#N)SCc1ccccc1Br 2302465569 GWWZBOQVORCSHL-LLVKDONJSA-N 312.276 5.011 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1csc(C)c1Br 2303639795 SPZRAHSNROEQRG-IINYFYTJSA-N 316.308 5.072 30 10 DKEE Cc1c(COC[C@@H](CS)C(C)C)ccc(Cl)c1Cl 2317272403 DMTGVFMUADNKOQ-LBPRGKRZSA-N 307.286 5.020 30 10 DKEE C=CC[C@H](C)SC[C@@H](NC)c1ccc(Cl)c(C)c1Cl 2353130562 YKPAAHIVWDILTN-IINYFYTJSA-N 318.313 5.260 30 10 DKEE C=CCC(CC=C)SC[C@@H](NCCC)c1ccc(C)s1 2360205496 NJMRXCHEMALEKU-MRXNPFEDSA-N 309.544 5.351 30 10 DKEE COc1c(Cl)cc(C[C@]2(C#N)CCCC[C@@H]2C)cc1Cl 2365736715 PEPNHCZYGSVDJC-ZBEGNZNMSA-N 312.240 5.265 30 10 DKEE C=C([C@@H](CCc1cc(Cl)cc(Cl)c1)NCC)C(C)(C)C 2366818800 NSMSMBBFMUIECC-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(Cl)c(F)c1F 2370488111 SYBIBDLAAXWTOE-HZPDHXFCSA-N 301.808 5.261 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cc(F)c(Cl)cc1Cl 2377397468 BJZNPOLRGCQAIR-BDJLRTHQSA-N 318.263 5.255 30 10 DKEE N#Cc1sc(-c2ccccc2Cl)c(-c2cccs2)c1N 52902322 GRGDWRCCAYKLPE-UHFFFAOYSA-N 316.838 5.251 30 10 DKEE Clc1cccc(/C=N/c2ccc3ncccc3c2)c1Cl 90483639 LKUOOVASRXLBQL-KEBDBYFISA-N 301.176 5.292 30 10 DKEE CC(C)c1ccc(SC[C@@H](CS)c2ccccc2)cc1 94588806 FFGVDDLJXKYTTH-QGZVFWFLSA-N 302.508 5.616 30 10 DKEE CCCCCCCCc1c(C)nn(C(=O)c2cccs2)c1C 100458723 XRPQEVCWLOQOEE-UHFFFAOYSA-N 318.486 5.153 30 10 DKEE CCCCCCC[C@@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C 109810446 MZBOULCBEGJSMC-APWZRJJASA-N 309.925 6.376 30 10 DKEE N#C[C@H]1CCCC[C@@H]1Nc1cc(Cl)c(Cl)cc1Cl 110155373 XFJRARVRNSHPDL-PELKAZGASA-N 303.620 5.141 30 10 DKEE CCCCCCCC[C@H](CSc1ccccc1)NCCC 115648612 LDVHDUVLEUYMBG-GOSISDBHSA-N 307.547 5.898 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccccc1SC 122665526 GQAMGZWNIAVWGL-KRWDZBQOSA-N 308.535 5.444 30 10 DKEE CCCCCCCCOc1ccc(Br)cc1C#N 128106886 HYOOWJSLZJKNRO-UHFFFAOYSA-N 310.235 5.060 30 10 DKEE CCCCCCCCNc1cc(F)c(Cl)cc1[N+](=O)[O-] 159393434 NMXJDBWMFLOQNN-UHFFFAOYSA-N 302.777 5.160 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Cl)ccc1Br 233599010 MGDFWTQGRKYUFK-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(Cl)sc2Cl)C1 312690281 OORVMJKNTGDJPA-GAJTVXKRSA-N 318.269 5.198 30 10 DKEE CCCCCCCCCCCC(=O)N(C)c1ccc(O)cc1 315595364 AFJRZJJXOHCDJE-UHFFFAOYSA-N 305.462 5.276 30 10 DKEE CCCC(CS)(CCC)COc1cc(Cl)cc(C#N)c1 380123041 LFZXVMVCJPACND-UHFFFAOYSA-N 311.878 5.107 30 10 DKEE CC(C)(C)C[C@@H]1CSC(=Nc2cc(Cl)cc(Cl)c2)N1 393478638 NCJVPZMYHJEDBI-GFCCVEGCSA-N 317.285 5.122 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1csc(Cl)c1 393510064 SLTCFRGFCNOUPW-MRXNPFEDSA-N 315.954 6.192 30 10 DKEE CC(C)=CC(=O)C[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 405989161 MFIXEDSWBKZDOT-AWEZNQCLSA-N 317.429 5.063 30 10 DKEE Fc1cccc(-c2c(C(F)F)cccc2C(F)(F)F)c1F 514256287 JCOBKUBLSGZJPK-UHFFFAOYSA-N 308.196 5.588 30 10 DKEE N#Cc1c(-c2ccccc2)cc(C(F)(F)F)nc1-c1ccccc1 585657859 FBJQDQYDQDPIME-UHFFFAOYSA-N 324.305 5.306 30 10 DKEE C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1)C(C)(C)C 698442097 DCBIDMNCKJKVEE-HOCLYGCPSA-N 316.445 5.002 30 10 DKEE Fc1sc2c(C(F)(F)F)cccc2c1SC(F)(F)F 725305066 LAUHFWIJMLTSAX-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CC1=C(C)C(c2ccccc2)=C(C)[C@](C)(c2ccccc2)C1=O 1088706796 VUFWTJZCSORCAC-JOCHJYFZSA-N 302.417 5.337 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1Cl 1874618324 VAGJNXAVLVJNAQ-VQHVLOKHSA-N 314.812 5.252 30 10 DKEE CCCCCC#CCN(Cc1ccccc1)Cc1ccccc1 1879988598 HXFONQCZJDPVKA-UHFFFAOYSA-N 305.465 5.273 30 10 DKEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1935986931 NNGNOFFPYNATPE-GOEBONIOSA-N 318.461 5.039 30 10 DKEE CCCCCCCCN[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 1939562951 JHJQFOZTEWGRNJ-UXHICEINSA-N 317.517 5.320 30 10 DKEE C=C(COCc1ccccc1)[C@@](N)(CC)C1CCC(C)(C)CC1 1975992368 XLAZVDIAEDGTST-NRFANRHFSA-N 315.501 5.083 30 10 DKEE C=CCCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1 1977491080 WOCXJCAXDZMVEP-JYRKZWEQSA-N 315.501 5.095 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(C)c(Br)c1 2040529563 LLXJTSASUFAKLR-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C#Cc1cnn(-c2ccc(C(C)(C)C)cc2)c1C1CCCCC1 2069828886 AGKSEACZFMLNLE-UHFFFAOYSA-N 306.453 5.199 30 10 DKEE C=CC[C@@H](CNCC(C)C)Cc1cc(Cl)sc1Cl 2074835513 RNESUMIPHGVHCM-LLVKDONJSA-N 306.302 5.035 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCCC1(C)C 2117016457 ZAEHDXNDPVDUEN-GUYCJALGSA-N 320.274 5.663 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Cl)ccc1OC(F)F 2163960772 AULVYQYLUOIGPV-UHFFFAOYSA-N 300.732 5.015 30 10 DKEE C=C1C[C@@H]1C[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164169228 SOFFPQKFFQURPN-HIFRSBDPSA-N 303.858 5.295 30 10 DKEE CC(C)[C@@H](Nc1cc(Cl)c(C#N)cc1F)c1cccs1 2177380020 BEDKRJQEFMHWRG-OAHLLOKOSA-N 308.809 5.221 30 10 DKEE Cc1cc(Nc2cc(Cl)c(C#N)cc2F)cc(C)c1Cl 2177388219 OMDUMJSCKKCUMM-UHFFFAOYSA-N 309.171 5.365 30 10 DKEE Cc1cc(C#N)cc(C)c1OCc1cc(Cl)cc(Cl)c1 2197913991 QMCXGRMHUMCJCA-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)s1 2227281044 DWSNLKNIUPBXDE-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c(C#N)s1 2231017090 CRCUMGPEAUYSCX-UHFFFAOYSA-N 300.855 5.188 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1cc(Cl)ccc1F 2240620815 YWGFGJYBLZAEIA-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(C)ccc1Br 2271799537 UHCNBLMQVHOHDW-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CC(C)(C)C#CC=CCC(=O)Cc1c(Cl)cccc1Cl 2284070619 IPNPGGHMAXTYRN-UHFFFAOYSA-N 309.236 5.101 30 10 DKEE C=CCCCCCCCSC[C@H](N)C(C)(C)C(F)(F)F 2287189403 MKOATVAVDWPNGV-ZDUSSCGKSA-N 311.457 5.162 30 10 DKEE CCCCCCCCN(C)CC1(CSC)CC(F)(F)C1 2289812540 OKAMZXWSGVGRBQ-UHFFFAOYSA-N 307.494 5.057 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc3oc4ccccc4c3c2)cc1 2297180021 KTBZWILIGSSVJV-UHFFFAOYSA-N 312.368 5.791 30 10 DKEE CC(C)C[C@H](CS)CSc1cc(Cl)cc(Cl)c1 2308062463 POKURNPTUOAERD-SNVBAGLBSA-N 309.327 5.678 30 10 DKEE Cc1c(COC[C@H](CS)C2CCC2)ccc(Cl)c1Cl 2339471855 OKWNHMPSKHOMKW-CYBMUJFWSA-N 319.297 5.165 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1ccc(Cl)cc1Cl)NC 2344350203 ZTFHNZNGVSFRKI-HOTGVXAUSA-N 300.273 5.116 30 10 DKEE C=CC[C@H]1CCC[C@H]1NC(c1cccs1)c1cccs1 2362236673 QBIYNIKVXDYYOF-UONOGXRCSA-N 303.496 5.233 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364415031 NTOCRIQQYKRCPU-SJCJKPOMSA-N 314.300 5.945 30 10 DKEE Cc1c([C@H](C#N)Nc2cccc(F)c2)ccc(Cl)c1Cl 2366090180 QJAYLHHESKBWIM-AWEZNQCLSA-N 309.171 5.118 30 10 DKEE C=C[C@](C)(CCCc1cc(Cl)cc(Cl)c1)CNC(C)C 2366899430 JPRRGWNYJSNLOY-QGZVFWFLSA-N 314.300 5.506 30 10 DKEE Cc1ccsc1/C=N/c1ccccc1/N=C/c1sccc1C 59513642 LDRAGXWHFVUVRZ-AYKLPDECSA-N 324.474 5.928 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2sccc2Br)C1 87972955 RUMKSOAVKUSUND-RISCZKNCSA-N 312.276 5.163 30 10 DKEE CC(C)(C)[C@H](CS)CSc1cc(Cl)ccc1Cl 94588782 YZBHYDXDZACYFB-SECBINFHSA-N 309.327 5.678 30 10 DKEE O=C(/C=C/c1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1 96887907 OTLWOSLHOZMQAX-XVNBXDOJSA-N 317.171 5.636 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/Nc1cccc2ccccc12 109817624 RFIFCGHQPVORJB-FZNPNBFDSA-N 305.421 5.161 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccc(Cl)cc1F 112900369 LUABDYKRCDHPPO-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCC[C@@H](CNC(C)C)c1ccccc1Cl 118864165 VESJCCFUJMGQNN-KRWDZBQOSA-N 309.925 6.172 30 10 DKEE CCCCCCCCC[C@H](N)C1CCC(C(F)(F)F)CC1 139529557 VCMNBNKXDONQAN-GPANFISMSA-N 307.444 5.823 30 10 DKEE CCCCCCCc1ccc(C(=O)Oc2ccc(C)cc2)cc1 225231757 UBHINVPFWWKUAK-UHFFFAOYSA-N 310.437 5.727 30 10 DKEE CCCCCCCCCCCCNC[C@@H]1CSCCS1 229594373 CQVAZDZXSWFOJI-QGZVFWFLSA-N 317.608 5.346 30 10 DKEE CC(C)(C#N)CCCCNc1cc(Cl)c(F)c(Cl)c1 232034851 OOEJTKZZTUHQRW-UHFFFAOYSA-N 303.208 5.264 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Cl)sc1Cl 233607540 WJBSWHHCGHRWNA-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE Cc1ccc(-c2nc(NN=C[C@@H]3CC=CCC3)sc2C)cc1 254393476 LVGAGUMUBFKURT-OAHLLOKOSA-N 311.454 5.181 30 10 DKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CC(C)(C)CC(C)(C)C1 698960809 APMZBQXQGNCPNG-UHFFFAOYSA-N 322.493 5.132 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(C)c(C(F)(F)F)c1 710671242 WEVMGGPDXLMHFX-AWEZNQCLSA-N 305.771 5.197 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(OCC)c(OCC)c1 1866090175 LAEAKUOSOQIBEQ-UHFFFAOYSA-N 321.461 5.173 30 10 DKEE C=CCn1c(-c2ccc(OCCCCC)cc2)nc2ccccc21 1873520172 ZKIVZSDUKIVDDC-UHFFFAOYSA-N 320.436 5.458 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1ccccc1Cl 1874574272 DRTBFHJCXOFROV-VAWYXSNFSA-N 300.785 5.025 30 10 DKEE N#Cc1cc(CN(Cc2ccccc2)C2CCCCC2)ccc1F 1946865561 RPSCVKBYFACAIS-UHFFFAOYSA-N 322.427 5.032 30 10 DKEE CC#CCCCn1ccc2c(OCc3ccccc3)cccc21 1990203559 MYUWYFVBDFRJLF-UHFFFAOYSA-N 303.405 5.024 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc(Cl)c(Br)c1F 2000202482 JETRMHJQMHDQHY-QMMMGPOBSA-N 319.601 5.027 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1sc(Br)cc1C 2000384147 FKHGXTDYIVSJHB-GXFFZTMASA-N 316.308 5.072 30 10 DKEE C=CCCCC[C@H](NC)c1cc(Cl)ccc1Br 2009480684 AVRVHCVFHODUPP-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCN(C)[C@H](C)c1cc(Br)cs1 2013634395 MJFHDAMXQJQAOP-GFCCVEGCSA-N 318.324 5.474 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)c(Cl)s1)C(F)(F)F 2038530073 HMOOXZMDSBDGJD-SECBINFHSA-N 318.191 5.214 30 10 DKEE C=CC1(C[C@H](NCC)c2cc(Cl)c(Cl)s2)CCC1 2049037861 NFQVLFQLLXOADP-NSHDSACASA-N 304.286 5.452 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](c1ccc(C)cc1)C(C)C 2070134778 QLPOIELYOXASIU-QFIPXVFZSA-N 320.480 5.466 30 10 DKEE CC#CCCCC[C@@H](NCC)c1cc(Cl)sc1Cl 2075371290 WEZIAOMDHNBKIA-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE C=CCCCC[C@H](NCCC)c1cccc(Br)c1C 2123089619 UONXMGJWJJEZRV-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(C)cc(Br)c1 2123090276 ZXYLOLOBUKDEHG-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CCCC[C@@](C)(C#N)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 2164475558 PGVGYPQHWZGWIW-JKSUJKDBSA-N 314.256 5.311 30 10 DKEE C=CC1(C[C@H](Cc2ccc(Cl)cc2Cl)NCC)CCC1 2168023735 OEIMXZBLCMFXGD-HNNXBMFYSA-N 312.284 5.260 30 10 DKEE C[C@H](N(C)CCCCCCCCCS)C(C)(C)C(F)F 2193157753 LCAGYSGYKPLXRN-AWEZNQCLSA-N 309.510 5.259 30 10 DKEE CCCCCCCC(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203958156 TZEKVJCVNMWHAR-HNNXBMFYSA-N 312.240 5.530 30 10 DKEE CCCC[C@@](C)(C#N)[C@H](O)c1ccc(-c2cccs2)s1 2205866002 MZNXKXXUVBGBHU-CVEARBPZSA-N 305.468 5.230 30 10 DKEE C=CC1(NCc2ccc(-c3cccs3)s2)CCCCC1 2205872009 MMJUDPRGURNBRO-UHFFFAOYSA-N 303.496 5.455 30 10 DKEE CCCCCCCCCOCc1cnc(Cl)cc1Cl 2231024719 JGSFOOFXUCTGTC-UHFFFAOYSA-N 304.261 5.656 30 10 DKEE Cc1cc(Cl)ccc1Oc1c(Br)cccc1C#N 2257503374 BMHJLVAGYVTSKF-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(Cl)cc1C 2264359040 GDWORNLXLGDPOC-INIZCTEOSA-N 303.273 6.086 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2270973856 PMNWYBXAXKVIGW-BZNIZROVSA-N 300.273 5.555 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1[N+](=O)[O-] 2287064806 GPWMWPDTXDNDSA-UHFFFAOYSA-N 313.850 5.867 30 10 DKEE CC1(C)OB(CCCOCCC2CCCCCCC2)OC1(C)C 2303005033 NJYPMSKAUTYJCD-UHFFFAOYSA-N 324.314 5.236 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1ccccc1Cl 2322432412 COWCZECICHKSHR-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE CC[C@H](C)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324706659 PUQXEIUWMNJXHG-HNNXBMFYSA-N 320.388 5.036 30 10 DKEE CCCCCCCC[C@@H](N)c1c(F)cc(OC)cc1Cl 2364059217 TVWUVYXTYNGYKS-OAHLLOKOSA-N 301.833 5.238 30 10 DKEE C=CC[C@@H](CNC1CCC1)Cc1ccc(Cl)c(Cl)c1C 2364222427 HUHPJULEEOQHQW-CYBMUJFWSA-N 312.284 5.179 30 10 DKEE C=CCCCCCCC[C@@H](O)c1c(Cl)cc(F)cc1Cl 2366416964 DIQZXSUCOLWNPU-OAHLLOKOSA-N 319.247 6.083 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cccc(Cl)c1Cl 2370539395 GCQCJFAADISSEB-IAGOWNOFSA-N 314.300 6.027 30 10 DKEE C=Cc1ccc(C(=O)/C=C\c2ccc(N(CC)CC)cc2)cc1 33395936 UQJRREYUUZBDTE-WJDWOHSUSA-N 305.421 5.072 30 10 DKEE CCCSc1ccc(C(=O)/C=C/c2sccc2C)cc1 83192724 KBDPZPJQICYRLG-CMDGGOBGSA-N 302.464 5.455 30 10 DKEE Cc1ccc(/C=C/C(=O)c2ccc(OC(C)C)c(C)c2C)cc1 83193541 ZOLFHYCTADYVSQ-ZRDIBKRKSA-N 308.421 5.295 30 10 DKEE CCOc1ccccc1/C=N/c1ccc(Nc2ccccc2)cc1 100033729 XFICGKRPBGMMPV-CJLVFECKSA-N 316.404 5.580 30 10 DKEE CCCCCCCCCC[C@@H](CS[C@@H](C)CC)NCCC 115646061 LSCXRCRZRSEWLG-OALUTQOASA-N 315.611 6.417 30 10 DKEE CCC[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(F)cc1F 135084364 CFVQNQXDTRJLQE-BZNIZROVSA-N 320.408 5.090 30 10 DKEE Cc1ccc(COc2ccc(/C=C3\CCCCC3=O)cc2)cc1 143296938 YMTIBOQNVMERHG-XMHGGMMESA-N 306.405 5.101 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(Cl)ccc1F 163011989 VOOHWYVMQBROHJ-QGZVFWFLSA-N 300.845 6.043 30 10 DKEE CCCCCCC[C@@H](O)c1cc(C)c(Br)c(C)c1 228373418 YCZLETRTLLWWRG-OAHLLOKOSA-N 313.279 5.460 30 10 DKEE C=CCCCCCNCc1ccccc1OCc1ccccc1 309921501 WCOQUKMVICEXEK-UHFFFAOYSA-N 309.453 5.102 30 10 DKEE CCCCCCCCCC(=O)c1c(Cl)ccc(F)c1F 394401246 INKVQZHCXSIQRQ-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE N#Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)cnc1Cl 514260868 KZEHPSMVPVGCPZ-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCCCCCCCCC(=O)/C=C/c1ccc(O)c(OC)c1 675083010 ZTGNNEHJBFCTFH-ACCUITESSA-N 304.430 5.124 30 10 DKEE C#CCCCCC[C@H](Cc1ccc(Cl)cc1Cl)NCC 686700659 DWASINQHVKPWIV-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC12CCCC2 700606355 SRARUPDDXPGYHL-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CC/C(=N\OCc1cccc(F)c1)c1ccc2c(c1)CCCC2 821218077 LFMVDQPJBQGRDY-LSDHQDQOSA-N 311.400 5.035 30 10 DKEE CCCCCCC[C@](C)(O)Cc1cc(Cl)ccc1Cl 1919911651 BNMDFEZKGDNHKC-INIZCTEOSA-N 303.273 5.647 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(C(C)C)C(C)C 1922116789 TZFZMXAWEPVPFK-OAQYLSRUSA-N 317.517 5.056 30 10 DKEE N#CC[C@@H](c1ccccc1)N(Cc1ccccc1)CC1CCCC1 1946747130 WBGIAPRLOJDLCW-QFIPXVFZSA-N 318.464 5.334 30 10 DKEE C#C[C@H](C)c1c(Cl)ccc(Cl)c1NC(=O)OC(C)(C)C 1951834353 HMOIGCNYNDDSCT-VIFPVBQESA-N 314.212 5.077 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1sccc1Br 1996478638 STGXAPFNWCAQQR-AAEUAGOBSA-N 316.308 5.154 30 10 DKEE C=CC1(COc2cc(C)c(Br)c(C)c2C)CCC1 2049030287 OJJQGMIYDMJUIR-UHFFFAOYSA-N 309.247 5.109 30 10 DKEE O=C(C=C1CCCCC1)c1c(Cl)ccc(Cl)c1Cl 2056930649 JJFUMWXCGGRZLU-UHFFFAOYSA-N 303.616 5.720 30 10 DKEE CSc1ccc(C(F)F)c(C(F)(F)F)c1C(F)(F)F 2060209324 FASMGXWPJCGAQP-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE C=CC1CC(N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 2061832571 IVDSMJSCSGCQHS-IDKOKCKLSA-N 304.648 5.262 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)c(C)c1 2085853524 CZQXCFFMUJULPJ-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE CCCCCCCCC[C@H](N)c1c(Cl)cncc1Cl 2098350862 RBEBWVAUKSYIKT-AWEZNQCLSA-N 303.277 5.529 30 10 DKEE CC[C@H]1CCC[C@H](Nc2cccc(Br)c2C#N)CC1 2103209313 UQICSEGNTCHRRT-STQMWFEESA-N 321.262 5.092 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccc(F)cc1Br 2117012935 DWVNZWHRJSAKEA-INIZCTEOSA-N 324.237 5.241 30 10 DKEE Cc1cc(Br)cc(C(=O)C2=CC[C@H](C(C)C)CC2)c1 2125179579 CKZJULQSDJCACN-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE C=C([C@@H](CSc1ccccc1Cl)NCCC)C(C)(C)C 2152922518 ASIVCVRYUQCONG-OAHLLOKOSA-N 311.922 5.403 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(SC(F)(F)F)cc1 2154640812 ZJXPIQAVPYYOKN-CQSZACIVSA-N 305.409 5.659 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1cccc(Cl)c1Cl 2173630154 SPRYMNYCKTVBPY-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE C=CCCCC[C@H](CSc1cccc(Cl)c1)NCCC 2179684009 ZOTDYPZGVANUPC-MRXNPFEDSA-N 311.922 5.547 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1csc(C(F)F)n1 2188750435 ILJNKUZPNQWVQP-GFCCVEGCSA-N 302.434 5.258 30 10 DKEE C#CC[C@@H](C)C[C@H](NCC)c1cc(-c2cccs2)cs1 2196859038 QQYOGPYPKVDAIK-HIFRSBDPSA-N 303.496 5.177 30 10 DKEE N#C[C@H](c1cc(Cl)cc(Cl)c1)[C@@H]1CCC2(CCCC2)C1 2203962908 UFJULIPISNZHPE-WBMJQRKESA-N 308.252 5.961 30 10 DKEE C=CCCCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NC 2207439418 WMSUMMPVPCDPLF-IRXDYDNUSA-N 301.455 5.283 30 10 DKEE C=CCN(Cc1c(Br)sc2ccccc12)C(C)C 2217912875 SUVGAZPKICLUQO-UHFFFAOYSA-N 324.287 5.060 30 10 DKEE C=CCCCCCCCN[C@H](C)c1ccccc1Br 2227274787 VSFKQRKDRKXMOS-OAHLLOKOSA-N 324.306 5.626 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1ccsc1Cl 2235519026 MFTULNXFJVAULS-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc2sccc2s1 2235526209 ISKSDSBEQSQLIG-CQSZACIVSA-N 307.528 6.140 30 10 DKEE C=C(C)CCCCC(=O)c1scc(C)c1Br 2244616910 SSXFJZIQLPLFSH-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1sccc1Cl 2276156203 TZAXHQAYKRVJQX-CQSZACIVSA-N 303.899 5.169 30 10 DKEE CCCCCCC[C@](C)(O)c1c(F)ccc(OC)c1Cl 2286708191 LMIBJDJHLYVKAN-INIZCTEOSA-N 302.817 5.056 30 10 DKEE C=CCCCCCCCSc1cc(OC)c(N)cc1Cl 2287183051 SDFIVTOAQBPONP-UHFFFAOYSA-N 313.894 5.550 30 10 DKEE C=CCC[C@@H](C)[C@H](OCCCN)c1cc(Cl)cc(Cl)c1 2293143088 VUKBHVGUQXARIH-WBMJQRKESA-N 316.272 5.002 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(OCc3ccccc3)cc2)o1 2294300323 DZXYMCZHBXCDGN-UHFFFAOYSA-N 318.372 5.063 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cccc(OCc2ccccc2)c1 2304039701 YAIQXAKWWAAZAN-NRFANRHFSA-N 323.480 5.519 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1cc(Cl)cc(Cl)c1Cl 2321107144 DIBUFBFFCLFWSQ-CYBMUJFWSA-N 306.664 5.510 30 10 DKEE C=C[C@](N)(c1c(C)c(C)c(Br)c(C)c1C)C(C)(C)C 2346044328 GUDRFMIFBFKHTE-KRWDZBQOSA-N 324.306 5.069 30 10 DKEE C=C(C)COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 10451693 RZVNHGYYTNPYPI-UHFFFAOYSA-N 309.409 5.017 30 10 DKEE CCCCCCCCOc1c(Cl)cc(Cl)cc1CO 59300150 BDSJYFYRHQMJBM-UHFFFAOYSA-N 305.245 5.225 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 109725083 XIMBLKSZHOXWOD-INIZCTEOSA-N 316.316 5.875 30 10 DKEE CCc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)cc1 110025772 JCMHWCXAILPUFK-UHFFFAOYSA-N 310.447 5.160 30 10 DKEE CCCCCCCCCCCCN1CCCC[C@@H]1C(N)=S 112900991 ZLVHHHSMGGZKPF-QGZVFWFLSA-N 312.567 5.048 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cccc(C)c1Cl 122683173 DUJPHVFTQQTDJK-KRWDZBQOSA-N 310.913 5.684 30 10 DKEE N#Cc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)s1 161088737 JJIANUGNDRULFH-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE N#Cc1cc(Nc2ccc(Cl)c(F)c2)ccc1C(F)(F)F 164436781 JHIRBPDQOOVZTL-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCn1cc(C=O)c2cc(OCC)ccc21 169882558 BMDVBIUMDNWONC-UHFFFAOYSA-N 315.457 5.603 30 10 DKEE CCCCCCCCC[C@H](O)c1scnc1Br 232940584 ATYCKHUFHTXNSU-NSHDSACASA-N 320.296 5.080 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2CC)c1 244057420 TWTDMWJNXVFURV-UHFFFAOYSA-N 322.452 5.339 30 10 DKEE CCCCCCC[C@H](CN)N(C)[C@H](C)c1ccc(Cl)cc1 250825473 NJCJYDUNGRTGDG-CRAIPNDOSA-N 310.913 5.021 30 10 DKEE Cc1[nH]c2ccccc2c1C=Nc1sc2c(c1C#N)CCCC2 252597059 CONUYVVNFFHZFN-UHFFFAOYSA-N 319.433 5.039 30 10 DKEE C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1/C=C/c1ccoc1 257558241 UTIGHTZWXIGRIJ-CTVJFCSYSA-N 300.442 5.062 30 10 DKEE biogenic CC(C)(CCC#N)CNc1cccc(OCc2ccccc2)c1 309889087 LZAZMJZGSYCRAY-UHFFFAOYSA-N 308.425 5.007 30 10 DKEE CCCCCCCCCCNCCCOCc1ccccc1 310032794 YOAZWZVQTYNTHB-UHFFFAOYSA-N 305.506 5.324 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc2ccccc12 698843757 XSLNADFGQRMDOW-SFHVURJKSA-N 324.424 5.052 30 10 DKEE CCCCCCCCC[C@@H](NC)c1snc(OC)c1Cl 708347423 VEUCKUPPDSNWGG-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE C=CCCC[C@H](NCC)c1c(Cl)cccc1C(F)(F)F 712580222 KKFACMJWWRMHFL-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE Cc1ccccc1CO/N=C(/c1ccc(C(C)(C)C)cc1)C1CC1 821229712 WMQMKHSQWWVNJJ-XTQSDGFTSA-N 321.464 5.623 30 10 DKEE Clc1ccc(/C=N/Sc2nc3ccccc3s2)cc1 1088718252 ABNKJZDJDHYRHL-CXUHLZMHSA-N 304.827 5.076 30 10 DKEE CCCCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccccc1 1614593210 KIIVYBZVRMCGCN-WCZGFUKNSA-N 323.485 5.735 30 10 DKEE CCCCCCCCCCCC(=O)NCCCc1ccccn1 1865984764 GOJGYRRMZMDPEU-UHFFFAOYSA-N 318.505 5.051 30 10 DKEE C=CCCCCCCCCC[C@@H](O)CCNCc1ccccc1 1995325649 NDCKJHRKHCILPZ-OAQYLSRUSA-N 317.517 5.224 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(Cl)c(Br)c1 2011353369 FSMGLPOAKROFCH-ZDUSSCGKSA-N 320.633 5.017 30 10 DKEE N#CC1(CSc2cc(Cl)ccc2Cl)CCCCC1 2047532361 HBCBGYCYSWNXBF-UHFFFAOYSA-N 300.254 5.560 30 10 DKEE CCCCC[C@@H](CC)Nc1ccc(C#N)cc1Br 2073350984 RAFZPAMMLSTVSN-CYBMUJFWSA-N 309.251 5.092 30 10 DKEE N#Cc1cc(-c2nc(Cl)c(Cl)cc2Cl)ccc1Cl 2077268271 GUESFDDDNHXGLO-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE N#C[C@]1(Cc2csc(Br)c2)CCCCC12CCC2 2084084350 MHYATCJWHKINCH-OAHLLOKOSA-N 324.287 5.307 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)cc1C 2085838844 IKTZBHBMDUUBDO-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Cl)sc1Cl 2085856254 KDIPUASGRJEWKW-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE CC(C)(Nc1cccc(Br)c1C#N)C1CCCCC1 2094161207 PPMXWTOMZPZFHP-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 2096544558 HONNWBYWHJHAQQ-QWRGUYRKSA-N 304.236 5.528 30 10 DKEE Cc1ccc(CC2(C#N)CCC3(CC2)CC3)cc1Br 2120110087 YITWVPIJTUYMJN-UHFFFAOYSA-N 318.258 5.164 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(Cl)ccc2Cl)CC1 2157121295 UJVWYLOWWOKJJW-QGZVFWFLSA-N 310.268 6.036 30 10 DKEE C=CC[C@@H](C)[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164162023 MRSYDBZFDWRPQG-PXAZEXFGSA-N 305.874 5.541 30 10 DKEE C=CC1(C[C@@H](CSc2ccccc2Cl)NCC)CCC1 2168022381 FRBMNYOEKYWBHY-AWEZNQCLSA-N 309.906 5.157 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)c(Cl)c2)CCCCC12CCC2 2173619269 PBFLRTSWYCNZPK-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE CCc1ccc(N=C2N[C@H](c3ccsc3)CS2)cc1Cl 2175637556 WWENCPVWIWUWQZ-AWEZNQCLSA-N 322.886 5.029 30 10 DKEE C[C@H](Nc1cc(Cl)c(C#N)cc1F)c1ccccc1Cl 2177381634 PGVPPBHXFNBOEI-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC(C)[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1cccs1 2184457772 ILFZPRBNLUKGPP-OAHLLOKOSA-N 308.809 5.221 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2203793398 USUIENAHBVHXRY-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE CC[C@](C#N)(C(C)C)[C@H](O)c1ccc(-c2cccs2)s1 2205865637 LTQACOWILUOIQW-CVEARBPZSA-N 305.468 5.086 30 10 DKEE CCCCCCCCCOc1cc(Cl)c(F)cc1CN 2239486494 HNRIKECQQZQLII-UHFFFAOYSA-N 301.833 5.067 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(C)cc(Br)c1 2259231894 ROPPGVNHJYMOPB-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE O=C(C#CC1CCCC1)c1c(Cl)ccc(Cl)c1Cl 2260995532 JCCKVBOYCNHFMQ-UHFFFAOYSA-N 301.600 5.023 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1cc(Cl)c(Cl)s1 2277264355 AFVXDWRDQHNEFS-GFCCVEGCSA-N 322.301 5.208 30 10 DKEE CCCCCCC[C@H](OCCCN)c1ccc(SC)s1 2294357296 SITUJNBHPWCOIP-AWEZNQCLSA-N 315.548 5.237 30 10 DKEE Cc1ccc(C(=O)C=Cc2cc3cc(C)ccc3nc2Cl)cc1 2297551888 RWMDFIJCFKTGHG-UHFFFAOYSA-N 321.807 5.401 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2319295165 DLZJTMMYZJJEQG-CYBMUJFWSA-N 306.664 5.654 30 10 DKEE CCOc1ccccc1C=CC(=O)c1ccc2ccccc2c1 2322312477 DOFKRVKQDJXABY-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE CCCOc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2324241350 HEBBRYMISXAHNY-UHFFFAOYSA-N 322.404 5.215 30 10 DKEE CC(C)(C#N)c1ccc(NCc2cccc(Cl)c2Cl)cc1 36922163 BGSLLOGCXQENEF-UHFFFAOYSA-N 319.235 5.407 30 10 DKEE N#C[C@@H](CCOc1cccc2ccccc12)c1ccc(F)cc1 57685541 ZYIJEFHFMILDLO-QGZVFWFLSA-N 305.352 5.055 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(Cl)c1 83193890 NRKJCZJSNAFTEY-BJMVGYQFSA-N 321.203 5.288 30 10 DKEE Cc1ccc(Nc2ccc(C#N)cc2Cl)cc1C(F)(F)F 110257085 FIVGZWKKPGJDPU-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCOc1ccc([C@H](C)NCCC)c(Cl)c1 112735243 CROPDWUJXXPQGS-HNNXBMFYSA-N 311.897 5.750 30 10 DKEE CCCCCCCCCC[C@H](O)COc1cccc(Cl)c1 135556929 GPQXEMVRGSPCGX-KRWDZBQOSA-N 312.881 5.611 30 10 DKEE CC(C)c1cc(Br)cc2c(C3CC3)c(C#N)oc12 136481734 NZCWSNFMASYJTI-UHFFFAOYSA-N 304.187 5.068 30 10 DKEE CCCCCCCCCCCCCCCc1ccccc1N 138892279 PEZWKNDPJHQOCC-UHFFFAOYSA-N 303.534 6.903 30 10 DKEE CCN(CC)c1ccc(/C=C\C(=O)c2cc3ccccc3o2)cc1 212587434 KUAVDBXVKNBMRJ-KAMYIIQDSA-N 319.404 5.175 30 10 DKEE C=CC[C@@H]1CCC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C 221053719 ZFYFRNMMJJEPEC-SJORKVTESA-N 301.430 5.093 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc(C)c(Cl)s1 226674635 MTEVLGIAHJUZFU-HNNXBMFYSA-N 315.954 6.501 30 10 DKEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 227761325 STFJJKDJCULCQP-CABCVRRESA-N 318.461 5.039 30 10 DKEE C=CCCCCC[C@H](NC)c1ccc(C)c(Br)c1 234437923 NDTCUPPBSVDSDL-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 300113062 XUUGCORWNDCFKF-DZKIICNBSA-N 302.549 5.322 30 10 DKEE C=CCCCCC[C@H](O)c1cccc(OCc2ccccc2)c1 303946057 OGGWIUWDRIAVGJ-NRFANRHFSA-N 310.437 5.436 30 10 DKEE N#CC1(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCCCCC1 383558937 JOGJFBCHCLCBMZ-UHFFFAOYSA-N 313.184 5.017 30 10 DKEE Cc1ccc([C@H](C)N(C)CCCCCCCCCS)s1 387246476 JQHJLCYQXPOFML-INIZCTEOSA-N 313.576 5.710 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 390713847 ABYQCNUSLBUEHU-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE CCCCCCCCC[C@H](C)[C@@H](N)COC(=S)CCC 585663969 MGOVLSMIYGCNFQ-HOTGVXAUSA-N 301.540 5.235 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(Cl)cc1Cl 692240633 QAVBCKJBGQCJPA-AHIWAGSCSA-N 312.284 5.779 30 10 DKEE CC[C@@]1(C)CCSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 709708435 VSMSRUKXENSGCJ-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE Cc1ccc(N=Cc2cccn2-c2ccc(Cl)cc2)cc1C 1083853535 HZPKIJZHSQMUFF-UHFFFAOYSA-N 308.812 5.498 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(C)c(Cl)c1 1866033546 AABYSNFCPLBQMT-UHFFFAOYSA-N 309.881 5.519 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC)CCCC 1922079917 JPWWJLJDAUKEHB-NHCUHLMSSA-N 317.517 5.344 30 10 DKEE C=CCN(Cc1ccccc1)C[C@H]1CCC[C@H](C(F)(F)F)C1 1962674834 IQBOVXNORPSIQS-IRXDYDNUSA-N 311.391 5.043 30 10 DKEE C=CCCCCCCCCC[C@@H](N)[C@@H](C)OCc1ccccc1 1995328577 STNYYIUMQIKFNX-TZIWHRDSSA-N 317.517 5.616 30 10 DKEE CCc1ccc(C(F)(F)F)c(OC(F)(F)F)c1C(F)F 2060360704 YFUYKLLIWCZMKR-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C#CCCCCC[C@H](NCCC)c1scc(Cl)c1Cl 2096225226 ZVNIMJJZIFRXHB-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE C=C(C)CC[C@@H](C)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2096543709 YZYBTLZAXWKKST-SECBINFHSA-N 303.189 5.058 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(C)cc1Br 2102109688 ASJCDPQZFYGAGT-WMLDXEAASA-N 324.306 5.401 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1F 2151940228 LQKBFQDJSVYFJG-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Cl)c(F)cc1F 2206884156 FOGDIOHXOONQNA-INIZCTEOSA-N 301.808 5.405 30 10 DKEE C=C[C@@H](CCCCC)OCc1csc(Br)c1 2212497284 HAESQYZKXORYNO-LBPRGKRZSA-N 303.265 5.162 30 10 DKEE CC1(C)C[C@@]1(C#N)Cc1c(Br)sc2ccccc12 2217953935 KDJRHRPEGRZQTE-OAHLLOKOSA-N 320.255 5.146 30 10 DKEE C=C(CC)C[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2225665697 HJRIXEDOBXUXSU-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE C#C[C@@H](CC(C)C)N[C@H](c1cccs1)c1ccc(Cl)s1 2234696251 OGEGJHKFUDTSMW-BLLLJJGKSA-N 323.914 5.190 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cc2cscc2s1 2235542961 XWVRDLIOQXKSJT-CQSZACIVSA-N 308.516 5.384 30 10 DKEE Cc1csc(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)c1C 2235757507 MBCRKDHDPNBUAR-NSHDSACASA-N 324.232 5.162 30 10 DKEE C=C(C)CCCCNc1ccc(Cl)cc1Br 2244630285 QCSHLBOJKOHNLL-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cccc(Br)c1 2271834642 IEWHWDOCQRSZJW-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1[C@@H](C)N 2287076445 SGUHAQISUSKGRI-CQSZACIVSA-N 311.922 5.978 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccc(C(F)(F)F)s1 2294990072 XHVOUOCNOOBRRU-LBPRGKRZSA-N 306.393 5.717 30 10 DKEE CCCC[C@H](CC)CSc1cccc(SCC)c1C#N 2295766171 KSMWSVNYLUBRMT-AWEZNQCLSA-N 307.528 5.979 30 10 DKEE C=CCC(CC=C)Nc1ccc(Br)c(Cl)c1C 2301052339 FUCHCMVGMJGOMA-UHFFFAOYSA-N 314.654 5.344 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1c(Cl)cccc1Br 2304123635 XEPGMWMBAHUWLG-KBPBESRZSA-N 317.654 5.128 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSCc1ccccc1Cl 2327087383 CTVOLVDWIFJQFR-HNNXBMFYSA-N 302.936 5.555 30 10 DKEE C=CCCCCCNCc1cc(Br)cc(C(C)C)c1 2335129235 YKVGTWLLOIVSNO-UHFFFAOYSA-N 324.306 5.409 30 10 DKEE C=C1CCC(C[C@@H](O)c2cc(F)c(Cl)cc2Cl)CC1 2349908213 JXNXDOINNIKZSM-OAHLLOKOSA-N 303.204 5.302 30 10 DKEE C=CC1(C[C@H](CCc2cc(Cl)cc(Cl)c2)NC)CCC1 2366804383 SXEJZLLLCVHLFP-INIZCTEOSA-N 312.284 5.260 30 10 DKEE C/C(=N/Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 33416937 UJAUQPOVXNZKEP-APSNUPSMSA-N 319.644 5.544 30 10 DKEE CC[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)c1cccs1 36973527 UINHYUFTCONHAG-GFCCVEGCSA-N 310.344 5.202 30 10 DKEE N#Cc1ccc(Sc2ccc(F)cc2F)cc1C(F)(F)F 37381875 KEYIXTRBQBDXQO-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE CCCCCCCCNc1ccc(OCC(F)(F)F)cc1 59431185 WTIIUNZSRBLGJT-UHFFFAOYSA-N 303.368 5.400 30 10 DKEE N#Cc1cc(-c2cc(Cl)ccc2Cl)oc1C(F)(F)F 77086081 QONOLWGPJYKNCH-UHFFFAOYSA-N 306.070 5.144 30 10 DKEE Cc1ccc(C)c(N/C=C\C(=O)c2ccc(Cl)cc2Cl)c1 101380944 PZZYETKVHAEEMA-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE CCN(CC)c1ccc(/C=C2/CC[C@@H](C3CCCC3)C2=O)cc1 104376938 MEWRVUFQFLRCIY-PUWPPSGDSA-N 311.469 5.086 30 10 DKEE CCCCCCCCCCOc1cc(Cl)ccc1[N+](=O)[O-] 133619219 YMBHMEWNQIVUCC-UHFFFAOYSA-N 313.825 5.768 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1SCCS[C@H]1CC 135693056 IBQWVTRLFSDSNR-HOTGVXAUSA-N 302.549 5.323 30 10 DKEE N#CC1(Cc2ccc(Br)cc2)CCCCCCC1 158874706 KKQYTQPNAGWHLS-UHFFFAOYSA-N 306.247 5.246 30 10 DKEE CCCCCCCCn1c(S)nc2cc(Cl)c(F)cc21 159400890 OHUVSNKWRPQDFZ-UHFFFAOYSA-N 314.857 5.478 30 10 DKEE Cc1ccc(Sc2cccc(Br)c2C#N)cc1C 168998901 CKLZHYSYIUCGDW-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE C=CCCCCC[C@@H](O)c1cc2cccc(Br)c2o1 236550626 GQEXNSZPGBKHQR-CQSZACIVSA-N 323.230 5.365 30 10 DKEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1cc(Cl)ccc1Cl 306839174 YHMKBRHBCCHBCL-KTKRTIGZSA-N 313.033 5.028 30 10 DKEE N#C[C@@H](Nc1ccccc1Br)C1CCCCCCC1 311284004 QLIGJKPSIBXJOI-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE C=CCCCCCCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 312372296 CTSOELWPWBYEDO-LBPRGKRZSA-N 318.263 5.920 30 10 DKEE C[C@H](Nc1ccc(F)c(C#N)c1)c1c(Cl)cccc1Cl 400903083 NZWOMZMLKGHCIR-VIFPVBQESA-N 309.171 5.177 30 10 DKEE N#Cc1ccc(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 514261101 ZUQWGCNZYVJTMJ-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C[C@@H](Nc1ccccc1C#N)c1cc(Cl)cc(Cl)c1F 692322339 STWICJYPDMWXPX-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCSCCN[C@H](C)c1c(Cl)ccc(F)c1Cl 696058243 HVIWVIQVOUWLQL-SNVBAGLBSA-N 322.276 5.092 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(Cl)c(O)c(Cl)c3)C[C@@H](C1)C2 697332686 IAXWPAHMBNBQLU-FOSCPWQOSA-N 312.240 5.246 30 10 DKEE CC[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698372017 ABPUQBMIBRMGHH-BEFAXECRSA-N 320.477 5.029 30 10 DKEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(C)(C)C 702296494 VTAAVWZUTSFJOS-JOYOIKCWSA-N 318.675 5.345 30 10 DKEE CCCCCCCN[C@H](CC)c1cccc(Br)c1 703771618 OXVXFRVMVMKSSP-MRXNPFEDSA-N 312.295 5.460 30 10 DKEE C#CCCCCCC(=O)c1ccc(Cl)cc1C(F)(F)F 712618288 TUIPZFIVXGRLRU-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCCCC[C@H](O)C[C@@H](C)COCc1ccccc1 719444739 YHLBVYRIKBOHNV-QUCCMNQESA-N 306.490 5.341 30 10 DKEE CC(=Nc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1084567494 RBNFCWRLMMHOSB-UHFFFAOYSA-N 316.360 5.403 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1scc(Cl)c1Cl)C1CC1 1887488305 GZNMESARFDCRBF-YPMHNXCESA-N 316.297 5.145 30 10 DKEE CCCCCCCCCC[C@@](C)(N)c1ccc(Cl)s1 1920205297 WSGHSHWFTJSXFL-MRXNPFEDSA-N 301.927 6.106 30 10 DKEE CCCC#CCn1ccc2c(OCc3ccccc3)cccc21 1994213810 UEMHHHDMSUAZBG-UHFFFAOYSA-N 303.405 5.024 30 10 DKEE O=C(CC#CC1CCCCC1)c1cc(Cl)sc1Cl 2032524100 MTMJXPXJOZJRLK-UHFFFAOYSA-N 301.238 5.211 30 10 DKEE CCCCCCCN(C)Cc1ccc(C)c(Br)c1 2075950354 XKMJPZLSZRJJQO-UHFFFAOYSA-N 312.295 5.160 30 10 DKEE C=C([C@H](NCCC)c1c(C)cccc1Br)C(C)(C)C 2096633586 RLCZFMMJVLOAMA-INIZCTEOSA-N 324.306 5.401 30 10 DKEE C=C(C)CC[C@@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2103481297 FTMMUVBGIPAYTJ-SECBINFHSA-N 303.189 5.058 30 10 DKEE C[C@H](CC1=CCCCC1)Nc1cccc(Br)c1C#N 2105124351 JDRCGQKNYAKEJR-GFCCVEGCSA-N 319.246 5.012 30 10 DKEE C=CCCCCCCCC[C@H](O)c1scc(Cl)c1Cl 2142427933 NMAAFBOQQVFLRS-ZDUSSCGKSA-N 321.313 6.395 30 10 DKEE SCCCCCCCCCN1CCCC12CCSCC2 2154152113 YCKKHMXRJPFLOP-UHFFFAOYSA-N 315.592 5.009 30 10 DKEE O=C(CC#CC1CC1)c1ccc(-c2ccc(Cl)cc2)s1 2164068450 JAJHBLYUCHVVOC-UHFFFAOYSA-N 300.810 5.055 30 10 DKEE C=C([C@H](C[C@@H](C(F)F)C(C)(C)C)NCCC)[Si](C)(C)C 2167708137 XASZRVOMIXLOTP-KBPBESRZSA-N 305.529 5.106 30 10 DKEE C#CC[C@@H](C)C[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2196720369 TVGBLDZMCJOJAY-DOMZBBRYSA-N 304.842 5.151 30 10 DKEE C=CCCCCCCCCCSc1nc(C(=O)O)cs1 2207414661 PGXQDKGTHSBUHL-UHFFFAOYSA-N 313.488 5.240 30 10 DKEE C=CCCCCCCCCCNCC[C@H](C)P(C)(C)=O 2207433800 BACFDHSXZUEUNB-KRWDZBQOSA-N 301.455 5.284 30 10 DKEE C=CCCCCCCC[C@H](N)c1ncc(Cl)cc1Cl 2227268889 UBXXNIHOWYSUBY-AWEZNQCLSA-N 301.261 5.305 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2265966280 ZVPRITPKPBHIQA-CXAGYDPISA-N 324.306 5.435 30 10 DKEE CC#CC[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265970311 ZMSQFHMIBFVVAH-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE C=CCCCCCCCSc1[nH]c(=N)c(Cl)cc1Cl 2271511227 BJHCLWZJPBNAGB-UHFFFAOYSA-N 319.301 5.420 30 10 DKEE CCCCCCCC[C@@H](C)Nc1c(F)cc(Cl)cc1F 2281516202 SUWZBRQWFRYUTI-GFCCVEGCSA-N 303.824 6.169 30 10 DKEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1csc(Cl)c1 2284103721 UFPPBAGLAQVGCB-HNNXBMFYSA-N 309.906 5.438 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1[C@H](C)O 2287176960 CTEFRWWHSZYIRJ-AWEZNQCLSA-N 312.906 6.012 30 10 DKEE CC1CCC(CSCC2(CS)CCCCCC2)CC1 2335255459 VFWPMAMVIZIEFQ-UHFFFAOYSA-N 300.577 5.816 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ccc(Br)cc1 2344338185 XHXIMCFPPYXOHA-IRXDYDNUSA-N 324.306 5.482 30 10 DKEE C=CC[C@](C)(CC)C(=O)Cc1cc(F)c(Cl)cc1Cl 2349875683 JXUKRJGJOBYBRA-HNNXBMFYSA-N 303.204 5.237 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cc(OC)c(Cl)s2)CC1 2365884404 IIRAMQUYRSDIGW-ZDUSSCGKSA-N 313.894 5.197 30 10 DKEE N#Cc1cccc(/C=C/c2nc3c(ccc4ccccc43)s2)c1 14176813 WZVZYPSQZUXURI-DHZHZOJOSA-N 312.397 5.492 30 10 DKEE Clc1cccc(N/N=C/c2ccc3c(c2)Cc2ccccc2-3)c1 59147453 DFZFFRCBLXJZQK-LPYMAVHISA-N 318.807 5.357 30 10 DKEE CCCCCCCC(=O)Nc1cc(Br)ccc1C 59528803 AIJFNTQKZAGGOK-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cccc(C(F)(F)F)c1F 94601453 LKFYVSCEVNFAII-CQSZACIVSA-N 303.343 5.242 30 10 DKEE Cc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1C(F)(F)F 110257088 YZLPPRIIMFDEKL-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2cccc(Br)c2)C1 110355060 QCHDAEOXCVBLLB-SLEUVZQESA-N 324.287 5.260 30 10 DKEE CCCCCCCC[C@H](CSC1CCCCC1)NCCC 115822249 VGZZKEVQNRIWQP-GOSISDBHSA-N 313.595 6.171 30 10 DKEE CSc1cccc(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1C#N 136699746 MHBYRWROCNPFEV-GRDNDAEWSA-N 303.471 5.120 30 10 DKEE CCCCCCC[C@@H](COc1ccc(Cl)cc1)NCCC 139686055 ZDNQAYFYRGVHNN-KRWDZBQOSA-N 311.897 5.448 30 10 DKEE C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cc1Cl 162901278 YPTWVHQUEQJJQU-LBPRGKRZSA-N 319.235 5.058 30 10 DKEE CCSc1cccc(N[C@@H](CC)c2cccs2)c1C#N 167585111 VOCRHGWQKIXXGM-ZDUSSCGKSA-N 302.468 5.295 30 10 DKEE CC[C@@H]1CC[C@](C#N)(Cc2ccc(C)c(Br)c2)C1 314199840 ONYAZFKZBQKCMR-CZUORRHYSA-N 306.247 5.020 30 10 DKEE CCCCCCCCCN[C@@H](C)CCOCc1ccccc1 390307404 FABZGMUJNNWQJP-IBGZPJMESA-N 305.506 5.322 30 10 DKEE CCCCCCCCCC(=O)c1nc(Br)cs1 396673257 ASJJPBFHBOZCRW-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc3cscc3s2)C1 693993101 IJVZZFSDBVBTAO-LYRGGWFBSA-N 305.468 5.106 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)CC1CCCCCC1 698406000 IWPUYGJTDNEZPX-NVXWUHKLSA-N 322.493 5.275 30 10 DKEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468672 LNTPZLFVUDMGPN-IBGZPJMESA-N 316.445 5.209 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@](C)(C#N)CC1CC1 698867613 NXZIVUBORXWDKY-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=CCC1(NCc2cccc(OCc3ccccc3)c2)CCCC1 700634005 KKSOUHMJOCVXTL-UHFFFAOYSA-N 321.464 5.244 30 10 DKEE C=CCCC(C)(C)CN[C@H]1CCc2ccc(Br)cc21 704042334 YIHFQCXEGUVCEE-INIZCTEOSA-N 322.290 5.018 30 10 DKEE CCCCCCCCN1CCc2cccc(Br)c21 713346692 DJMNQDRWFYGZII-UHFFFAOYSA-N 310.279 5.172 30 10 DKEE Cc1ccc(-c2csc(SCc3ccc(C#N)cc3)n2)cc1 1860797363 KEYBRERHRCZBFR-UHFFFAOYSA-N 322.458 5.283 30 10 DKEE CCCCCCCCCCNC(=O)CCc1ccccc1F 1866042971 HTUMHATZIRFVHG-UHFFFAOYSA-N 307.453 5.015 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)CC2CC2)C1 1946843384 YPSGTWSKJDNJHD-NJDAHSKKSA-N 324.512 5.253 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1cccc(OCc2ccccc2)c1 1975928028 OQIWAVLQWBNZOR-LAUBAEHRSA-N 309.453 5.128 30 10 DKEE CCCCCCCCNCCc1csc(Br)c1 2012912641 RYZDXRJLTDCDFY-UHFFFAOYSA-N 318.324 5.003 30 10 DKEE CC[C@H](c1ccc(C)cc1C)n1nc(C(C)C)c(C#N)c1Cl 2079005272 JNIYHSWTEWQPTI-MRXNPFEDSA-N 315.848 5.148 30 10 DKEE C#CCCN(Cc1ccc(Cl)cc1Cl)C1CCCCC1 2145621025 CFCHBHWCGFYJDU-UHFFFAOYSA-N 310.268 5.151 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(SC(F)(F)F)cc1 2164259766 HOXWEQIWXURTFG-CQSZACIVSA-N 303.393 5.305 30 10 DKEE CCc1ccc(Nc2cc(Cl)c(C#N)cc2F)cc1Cl 2177387014 GIUWUJANABXBSO-UHFFFAOYSA-N 309.171 5.310 30 10 DKEE C#CC[C@@H](C[C@](O)(CC)c1ccc(Cl)c(Cl)c1)C1CC1 2196732388 PZJJIPVGHSNYTN-SUMWQHHRSA-N 311.252 5.031 30 10 DKEE C=C(C)CN(Cc1ccccc1)CC1(C)CC2(CC(F)(F)C2)C1 2212372323 LJPPJFMZPIPCTM-UHFFFAOYSA-N 319.439 5.280 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235756913 MJIYEYSJVOBNFU-YPMHNXCESA-N 312.240 5.386 30 10 DKEE CCCCCCCCN(C)CCCC(F)(F)C(F)(F)F 2240395673 RBAIQIQWMODTQE-UHFFFAOYSA-N 303.359 5.257 30 10 DKEE C=C(C)CCCC[C@H](Cc1cccc(Cl)c1Cl)NC 2271795725 ATTNTLZIKHHSGK-CQSZACIVSA-N 300.273 5.260 30 10 DKEE CCCCCCC[C@H](OCCCN)c1csc(Cl)c1 2277129893 JQOFTHWFXGIWCJ-AWEZNQCLSA-N 303.899 5.169 30 10 DKEE CCCCCCCCC[C@H](C)NCc1sccc1Cl 2278231591 ZZQAEZICSWGYAR-AWEZNQCLSA-N 301.927 6.020 30 10 DKEE CC#CCCC[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286471915 DPKFTYLFCBAZAG-KRWDZBQOSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCCSC[C@](O)(CCC)C(F)(F)F 2287097048 ROPRHGKZJQWIIF-CQSZACIVSA-N 312.441 5.340 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1C 2295967864 FCQSNBVEKDBHTI-UHFFFAOYSA-N 305.204 5.506 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Br)c(Cl)c1 2304126459 XKGBFOXJPDWVJQ-ZIAGYGMSSA-N 317.654 5.128 30 10 DKEE O=C1C(=Cc2cccc3ccccc23)Oc2ccc(Cl)cc21 2314519500 QTXAPCKWIIXIMZ-UHFFFAOYSA-N 306.748 5.109 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353055651 YYQOPFMLGBGRSK-YPMHNXCESA-N 300.273 5.697 30 10 DKEE C=CCC(CC=C)Sc1ccc(CNC(C)C)cc1Cl 2360377546 KAGGJMDAYWCYCO-UHFFFAOYSA-N 309.906 5.451 30 10 DKEE C=CCC(CC=C)Oc1c(Cl)cc(Cl)cc1CNCC 2364095463 MYJCKPCMVLZORU-UHFFFAOYSA-N 314.256 5.003 30 10 DKEE N#Cc1cccc(OCc2c(Cl)ccc(Cl)c2Cl)c1 11804003 ZIUWXWJVAQOICC-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CC[C@H]1C1CCCC1 33904424 IJIZPDDJBJFYIT-QBOMHBFWSA-N 308.343 5.258 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)cc1 50039189 FMAFXBVGGGCODJ-AWEZNQCLSA-N 318.203 5.046 30 10 DKEE CCc1cccc2c(C#N)c(Cl)n(Cc3ccc(C)cc3)c12 71465906 NMKLOPZZEDMUQH-UHFFFAOYSA-N 308.812 5.086 30 10 DKEE CCCCCCCCCC[C@@H](CC)n1nnc2ccccc21 100001148 PJICFIYAVNEEIM-QGZVFWFLSA-N 301.478 5.913 30 10 DKEE CCCCCCCCCCCCC(=O)c1ccc(Cl)cc1 109708269 MNJZCRHWQQNBMN-UHFFFAOYSA-N 308.893 6.834 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1 114873751 KROVWKRNXGJPNG-MRXNPFEDSA-N 303.273 6.168 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(Br)cc1Cl 125641392 ZCDIPBDEIKPEDK-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCNC[C@@H](O)c1ccccc1Cl 129358148 CWUCPWWVWDMCSL-GOSISDBHSA-N 311.897 5.104 30 10 DKEE CCCCCCCCCCCC[C@@H]1CSC[C@@H]1NCCC 134625637 NTSZDGAIYGKISE-MOPGFXCFSA-N 313.595 6.029 30 10 DKEE CCSc1cccc(N[C@@H](C)c2cccc(Cl)c2)c1C#N 167582628 WFSNUMJCNJEJCP-LBPRGKRZSA-N 316.857 5.497 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(Br)cc1C 233607894 HGSXNQRGFJEWQK-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1sccc1F 313030578 DXHYXYLTNFXDFW-INIZCTEOSA-N 300.483 6.232 30 10 DKEE C=CC[C@@H](CC)N[C@@H](c1cccs1)c1ccc(Cl)s1 393788137 WVDAQFZUXLITGI-ABAIWWIYSA-N 311.903 5.497 30 10 DKEE CCCCCCC[C@H](N)c1c(Cl)cccc1C(F)(F)F 712548082 LUQQZOFMNZTLJD-ZDUSSCGKSA-N 307.787 5.719 30 10 DKEE Cc1ccc(CC#N)c(-c2cc(Cl)c(Cl)cc2Cl)n1 1242784423 KRWNHBVIJSGONT-UHFFFAOYSA-N 311.599 5.083 30 10 DKEE N#Cc1cccc(C(F)(F)F)c1-c1ccccc1C(F)(F)F 1848368007 BBSAVAWJOBZLIO-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C#C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1880085868 WSHNXXRZYGCOET-QHCPKHFHSA-N 311.428 5.063 30 10 DKEE C=C([C@H](NCCC)c1cc2sccc2s1)[Si](C)(C)C 1922866860 BLGUDTCITDFZFS-HNNXBMFYSA-N 309.576 5.437 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Br)c(Cl)s1 1978560014 IPMFFSROTNYVLC-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1C(C)(C)C 1990892641 ZSBYIYGBCWFMKP-UHFFFAOYSA-N 307.481 5.562 30 10 DKEE C=CCCCCC[C@@H](NC)c1sc(C)cc1Br 2000338864 PZANLRHVOYBHME-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccccc1[C@H](C)NCCC 2013174300 QIMIJCRRKCQCAR-IBGZPJMESA-N 322.496 5.330 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1cccc(Br)c1C 2045979568 DOZBVXYQSUVUBI-INIZCTEOSA-N 311.263 5.086 30 10 DKEE C=CC[C@H]1CCCCN(Cc2cc(Cl)sc2Cl)C1 2075312069 PJTKNIQLHOIWEE-NSHDSACASA-N 304.286 5.233 30 10 DKEE CC(C)c1ccc([C@H](C)n2nc(C(F)F)c(C#N)c2Cl)cc1 2079993927 ZGRDXVARHUOJGK-JTQLQIEISA-N 323.774 5.078 30 10 DKEE C=CCCCCCC[C@H](N)c1c(F)cccc1Br 2085851207 DOYRDDVVSNPMFG-AWEZNQCLSA-N 314.242 5.115 30 10 DKEE C#CCC[C@H](NCC)c1ccc(-c2ccccc2Cl)s1 2164103985 DTFACHIHZHFWOU-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cc(Cl)cc(Cl)c2)CCC1 2168022718 HRPDSYWKLRMSDQ-MRXNPFEDSA-N 312.284 5.781 30 10 DKEE C=CC1(C[C@H](O)c2ccc(Cl)cc2C(F)(F)F)CCC1 2168030705 JFLZWPXVBHMZMO-ZDUSSCGKSA-N 304.739 5.139 30 10 DKEE Cc1cc(Nc2cc(Cl)c(C#N)cc2F)c(C)cc1Cl 2177391921 WXGHQCLKPGVMNO-UHFFFAOYSA-N 309.171 5.365 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179257026 OROINWWAZFJMEY-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CCCCCCCCCC[C@H](O)c1csc(C(F)F)n1 2188700964 GZAQSBLAPUUMCQ-ZDUSSCGKSA-N 305.434 5.645 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](N)c1c(Cl)cccc1Cl 2205692775 XUVGCZJZUFOBKK-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1sc(Br)cc1C 2250192093 VJTMVYZWMKPZKG-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccc(F)c(Cl)c1F 2280438643 FURWEWFRJKJXLO-MRXNPFEDSA-N 303.824 5.543 30 10 DKEE C=C1CCC(C[C@@H](N)c2cc(Cl)c(OC)cc2Cl)CC1 2281534426 TWUHALCMIKLDOX-OAHLLOKOSA-N 314.256 5.138 30 10 DKEE C=CCCS[C@H]1CCCCCCC(F)(F)[C@H]1NCCC 2287197587 CCXKRJBGJXVZFX-GJZGRUSLSA-N 305.478 5.022 30 10 DKEE CC[C@H]1CC=C(C(=O)c2sc(C(F)(F)F)cc2C)CC1 2295000783 FKFHJLYQLOAMEE-JTQLQIEISA-N 302.361 5.395 30 10 DKEE C=CCCCC[C@H](NCC)c1sc(C(F)(F)F)cc1C 2295259536 XQBVESLYVIVQOB-LBPRGKRZSA-N 305.409 5.472 30 10 DKEE CC1(C)CCC(C=O)(Cc2cc(F)c(Cl)cc2Cl)CC1 2377403895 VEYHUQHVZQPDQH-UHFFFAOYSA-N 317.231 5.461 30 10 DKEE CC(C)[C@@H]1CC[C@@H](C)/C(=C/c2ccc(Br)cc2)C1=O 32915960 XXWIKUUTIWHVPA-PUCAEAQLSA-N 321.258 5.104 30 10 DKEE Cc1cccc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c1C 37344183 GZRRXFOWNIYLPS-CYBMUJFWSA-N 318.203 5.100 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1c(Cl)cccc1Cl 37938303 JKHUPEHVSAEELL-CYBMUJFWSA-N 311.599 5.324 30 10 DKEE CCCC(CS)(CCC)CSc1nc2ccccc2[nH]1 94589065 MXLZNQTYTLNJEY-UHFFFAOYSA-N 308.516 5.171 30 10 DKEE CCCCCCCCCSc1ccc(C(F)(F)F)cc1N 111820099 NSONYEZZDUTJBE-UHFFFAOYSA-N 319.436 6.130 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1ccc(Cl)c(Cl)c1 112886966 YKOFRBBJFYYMGO-OAHLLOKOSA-N 317.300 6.038 30 10 DKEE CCCCCCCCCOc1ccc(Cl)cc1CNCC 112990851 RJNSRELNXIXBNV-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE Cc1c([C@H](C)N[C@H](C)c2ccc(C#N)s2)oc2ccccc12 134810963 FNQYFGTXGPAPQW-OLZOCXBDSA-N 310.422 5.086 30 10 DKEE CCCCCCC[C@H](NCC)C1CCC(C(F)(F)F)CC1 139598939 OWPLHQCBCNGRGI-GPANFISMSA-N 307.444 5.694 30 10 DKEE CCCCCCCCCCCC[C@H](NC)c1snnc1C 143494285 RJGPHZJUFSLJHR-INIZCTEOSA-N 311.539 5.418 30 10 DKEE Cc1ccc(Nc2cc(Cl)c(Cl)cc2Cl)c(C#N)c1 235906731 FBIXZKOHWGZDSB-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE Cc1cc(C)c(N=C2c3cc(C)ccc3-c3ncccc32)c(C)c1 254820833 GMAVMGKWWKGEBQ-UHFFFAOYSA-N 312.416 5.465 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cc2Cl)C1 322684191 IWXOOVGXTASDIE-RULNRJAQSA-N 300.254 5.414 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccsc1C(F)(F)F 394985843 CUAKUHMHDLIOBA-CYBMUJFWSA-N 308.409 5.941 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC12CCCC2 698377675 UEDOYGDTHAPBFO-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCCCCCC[C@@H](O)c1oc(C)cc1Br 706320633 AWUPXLZLYFGXQN-CYBMUJFWSA-N 303.240 5.135 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1cscc1Cl 710473243 KUVRIAZSBDKMRF-KRWDZBQOSA-N 315.954 6.583 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 710721761 XNWGLCFRYRZUTF-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@](C)(C#N)CC1CCCCC1 712385960 KTNRJPYCKWRWBO-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 712550997 WBGGNWSMEVYOBN-CQSZACIVSA-N 308.771 5.753 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1c(C)cccc1Br 715774039 NTDNYSASOGNTEY-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE Cc1cnc(-c2cc(Cl)c(Cl)cc2Cl)c(CC#N)c1 1848359995 IZISAQXOMSLIMU-UHFFFAOYSA-N 311.599 5.083 30 10 DKEE N#Cc1ncc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl 1848370533 SKMVNVWNQJJWEK-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE C=CC[C@@H](C)SCc1cc(Cl)c(C)c(Br)c1 1899417098 PFVOVEAFFDRETJ-SECBINFHSA-N 319.695 5.609 30 10 DKEE C=C([C@@H](O)c1ccc(-c2cccc(Cl)c2)s1)C(F)(F)F 1919674009 UYTKPBOYIABRBC-CYBMUJFWSA-N 318.747 5.220 30 10 DKEE CCCCCCCCO[C@@](C)(C(=O)O)c1csc(Cl)c1 1919767261 XIORXYZFLKYWTA-OAHLLOKOSA-N 318.866 5.078 30 10 DKEE CC(=CB1OC(C)(C)C(C)(C)O1)c1cc(Cl)sc1Cl 1927748142 RHTWHIQAOGMOGR-UHFFFAOYSA-N 319.062 5.090 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@@H](C#N)C(C)(C)C)C(C)(C)C 1931998965 RUOVNBYWPAUCSH-SJLPKXTDSA-N 300.490 5.109 30 10 DKEE CCCCCCCC[C@@]1(N)CC(C)(C)[C@H]1OCc1ccccc1 1939545883 OWDJLSPSCOEBSJ-TZIWHRDSSA-N 317.517 5.450 30 10 DKEE CC(C)CN(Cc1ccccc1)c1ccc(C#N)c2ccccc12 1946757006 PAPPHFMKLWRBPY-UHFFFAOYSA-N 314.432 5.374 30 10 DKEE C[C@H](COCc1ccccc1)C[C@@]1(C=O)CCCC(C)(C)C1 1960985560 JSAPBFPXZHUSIV-PXNSSMCTSA-N 302.458 5.015 30 10 DKEE C=CCCCCNc1cc(Cl)c(C)cc1Br 1984512323 UUWMESVGBBCUIL-UHFFFAOYSA-N 302.643 5.179 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1 2026022876 ZJQCXZUOXQNLMA-JOCHJYFZSA-N 323.480 5.792 30 10 DKEE CC[C@@](C#N)(Nc1ccccc1Br)C1CCCCC1 2102275269 YPFVMZPJKIATRG-INIZCTEOSA-N 321.262 5.114 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C=O)CCCCC1(C)C 2117030007 NQUVVLXJJRGWQJ-QGZVFWFLSA-N 323.274 5.086 30 10 DKEE CCCCCCCC(=O)c1ccc(OC)c(Cl)c1Cl 2138587952 HWABMIBQXWMXTD-UHFFFAOYSA-N 303.229 5.545 30 10 DKEE C=C1CCC(C[C@@](C)(N)c2cc(F)c(Cl)cc2Cl)CC1 2154682744 JLPOVKZNOZTWJA-MRXNPFEDSA-N 316.247 5.443 30 10 DKEE CN(CCCCCCCCCS)[C@@H]1CCCC(F)(F)C1 2168898842 YFBPAOBHNXMONN-OAHLLOKOSA-N 307.494 5.157 30 10 DKEE C=C1CC(C[C@H](CSc2cccc(Cl)c2)NCCC)C1 2182158025 NHHDLEJHEGJTEJ-MRXNPFEDSA-N 309.906 5.157 30 10 DKEE CCCCCCCCCCN[C@@H](C)C(F)(F)C(F)(F)F 2182462916 SUDTZNZHAGSVBX-LBPRGKRZSA-N 303.359 5.303 30 10 DKEE CCCCCCC[C@@H](O)C(=O)c1c(Cl)ccc(Cl)c1F 2204417077 NORAXWVHWWSWMN-GFCCVEGCSA-N 321.219 5.037 30 10 DKEE C=CCCCCCCCCC[C@@]1(O)CCCC2(CC1)OCCO2 2207394726 AKGHFGDLDVOLRZ-LJQANCHMSA-N 324.505 5.122 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1ccsc1Cl 2207430287 SLXCJLZFURADJK-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1c(Cl)cccc1Cl 2231575854 XHZJHASBIDRQET-OLZOCXBDSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@H](N)c1ncc(C(F)(F)F)s1 2235522243 RXOFGPJCCQHOBH-NSHDSACASA-N 306.397 5.078 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1cc(Cl)cs1 2235522440 UJQFLVBNOWETNR-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE Cc1ccc(Br)c(F)c1CC=CC#CC(C)(C)C 2256707331 MSIDKQJKIRRBEH-UHFFFAOYSA-N 309.222 5.045 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1csc(Cl)c1OC 2284265555 VQWVMHQHQMNQOK-CQSZACIVSA-N 315.910 5.717 30 10 DKEE C=CCCCCCCCCCNCc1cnc(SC)s1 2284637620 DHTPGAJTAHVTHN-UHFFFAOYSA-N 312.548 5.261 30 10 DKEE CCSc1ccc(C)cc1C(=O)C=Cc1c[nH]c2ccccc12 2295967936 MXXSBKFMVFLEPW-UHFFFAOYSA-N 321.445 5.484 30 10 DKEE O=C1C(=Cc2cccc(F)c2)CCCC1=Cc1cccc(F)c1 2297334222 RANXKIYLTVWOIP-UHFFFAOYSA-N 310.343 5.185 30 10 DKEE C#CCCN(CCCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2366822412 VMVLCZMBXINHKF-UHFFFAOYSA-N 312.284 5.050 30 10 DKEE Cc1nsc(Nc2c(Cl)cc(Cl)cc2Cl)c1C#N 92912286 UBLDFDUAFGWNMP-UHFFFAOYSA-N 318.616 5.027 30 10 DKEE CCCCCCCCCOc1ccc(C[C@@H]2CCCNC2)cc1 106150205 DFVZMRIACAVNCM-FQEVSTJZSA-N 317.517 5.358 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1c(Cl)cccc1C(F)(F)F 110159714 DZXSGIFPTBZMEJ-GXFFZTMASA-N 316.754 5.243 30 10 DKEE CCCCCCCCCC[C@H](O)Cc1c(F)cccc1Cl 112887721 HSAVHBHAMBZXAQ-HNNXBMFYSA-N 314.872 5.913 30 10 DKEE CCCCCCCCOCc1cc(CNC2CC2)sc1C 123150508 DVFBAQYFWIYSKK-UHFFFAOYSA-N 309.519 5.186 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H](OC)C(C)(C)C 123510923 QMHMHTRAKULLBE-MSOLQXFVSA-N 300.527 5.719 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(Br)cc1C 125710665 ZAIRZVYROKKCIA-INIZCTEOSA-N 310.279 5.155 30 10 DKEE N#CC1(Cc2ccccc2Br)CCCCCCC1 158871605 KNJBNNWPSBPABD-UHFFFAOYSA-N 306.247 5.246 30 10 DKEE CC(C)c1ccc(Oc2cccc(Br)c2C#N)cc1 168617572 AVGXGRVNTPUHQD-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCCC[C@H](NC)c1scc(C)c1Cl 232995075 NBNYHHFCXIYTPF-AWEZNQCLSA-N 301.927 6.111 30 10 DKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C#N)CCC1CCCCC1 309873392 HIDAMNYYGZYHDG-LJQANCHMSA-N 320.477 5.030 30 10 DKEE CC[C@H]1CC[C@@](C#N)(Cc2cc(Br)ccc2C)C1 314140350 IOBDDGKZCMINRC-BBRMVZONSA-N 306.247 5.020 30 10 DKEE Cc1ccc(Br)cc1CC1(C=O)CCC(C)(C)CC1 317222248 LHFZROBKLJIDPR-UHFFFAOYSA-N 323.274 5.086 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 383269087 FPJHOQPQEPIWLM-LBPRGKRZSA-N 312.240 5.242 30 10 DKEE CCCCCCCCN[C@H](C)c1c(Cl)cccc1Cl 400886954 GLOIURPMAUEMEY-CYBMUJFWSA-N 302.289 6.005 30 10 DKEE CC(C)(C#N)c1nc(-c2cc(Cl)cc(Cl)c2F)cs1 692347232 MQODRWUGZCIKCO-UHFFFAOYSA-N 315.200 5.057 30 10 DKEE CC[C@H](Nc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 695758179 PSKQRVBSQVVWRW-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE CCCCCCCN[C@H](C)c1ccc(Br)cc1F 703773365 ZPDDLQKQXBGWBO-GFCCVEGCSA-N 316.258 5.209 30 10 DKEE CCCCCCC[C@@H](C[C@H](C)COCc1ccccc1)NC 719190683 IXTFSQJECHSZBZ-ICSRJNTNSA-N 305.506 5.178 30 10 DKEE O=CC1(CCc2cc(Cl)cc(Cl)c2)CCCCCCC1 722139567 LGRNRGABQJBPEO-UHFFFAOYSA-N 313.268 5.856 30 10 DKEE CCc1cc2cc(CC#N)cc(SC(F)(F)F)c2s1 725303853 YXVAXKONXQFLBV-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CC/C(=N\OCc1cccc(Cl)c1)c1ccc(CC)cc1 821217356 DQJKNYVGHUPSCB-CZIZESTLSA-N 301.817 5.233 30 10 DKEE N#Cc1cccc(C(F)(F)F)c1-c1ccc(C(F)(F)F)cc1 1848368103 MJCYNSOYDBBYII-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1snc(Cl)c1Cl 1885245653 WKCSTJIHFCVQOY-LLVKDONJSA-N 319.301 5.074 30 10 DKEE C=CCCCCCNCc1sc(Cl)cc1Br 1903000334 JHKMBVKMMSTXSM-UHFFFAOYSA-N 322.699 5.000 30 10 DKEE CCC[C@H](C#N)[C@@H](O)c1ccc(-c2ccccc2Cl)s1 1921046090 QVTKYUYUISJNRR-BDJLRTHQSA-N 305.830 5.042 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)CC2CCC2)c(Cl)c1 1932004664 ZKGUHWZAPCQSTD-UHFFFAOYSA-N 310.828 5.018 30 10 DKEE CCCCCCC[C@H](O)c1scc(C)c1Br 1939882787 SVZDSBBYELJAKP-NSHDSACASA-N 305.281 5.213 30 10 DKEE C=CCCCCCN(C)[C@H](C)c1cc(Br)cs1 2013629288 CWAUANGVPJZUSB-GFCCVEGCSA-N 316.308 5.250 30 10 DKEE CCCCCCCC(=O)COc1ccc(Cl)cc1Cl 2096135527 DDVAEEPURYJOLU-UHFFFAOYSA-N 303.229 5.302 30 10 DKEE C=C1CCC(C[C@](N)(CC)c2cccc(Br)c2)CC1 2098442213 HDMZNOJCKDNDPD-QGZVFWFLSA-N 322.290 5.150 30 10 DKEE C=CCCCC[C@H](Cc1ccc(Br)cc1)NCCC 2123080055 JSHXPQOLRKLEHJ-QGZVFWFLSA-N 324.306 5.106 30 10 DKEE C=C1CC(CC[C@@H](NCCC)c2cccc(Br)c2)C1 2125743409 WQWKLYYDMBSLMU-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(F)cc1Cl 2139426770 QGDGRCMGCDYSCZ-OAHLLOKOSA-N 306.252 5.754 30 10 DKEE C=CCCCCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1 2141914684 UELGMHMAPIJJDE-CQSZACIVSA-N 300.273 5.390 30 10 DKEE C[C@@H]1CCCC[C@@]1(C#N)Cc1csc(-c2cccs2)n1 2144694659 LVZLPELQJKQVAR-WBMJQRKESA-N 302.468 5.134 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2149848573 ATPGNNHGUQCABY-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE CCCCCCCC[C@@H](N)COc1ccc(Cl)cc1Cl 2152445669 JDDBFUXFDNJVEO-CQSZACIVSA-N 318.288 5.450 30 10 DKEE CC#CCC[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164165961 OVCBGZXCBZDJDV-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1c(F)ccc(Cl)c1F 2164212797 QSHQRQJIOZRKOI-ZBEGNZNMSA-N 301.808 5.261 30 10 DKEE C#CC(C)(C)C[C@@H](NCC)c1cc(-c2cccs2)cs1 2167609439 QKADADYWQISSNO-CQSZACIVSA-N 303.496 5.177 30 10 DKEE CCCCCCCN(C)Cc1csc(-c2ccsc2)n1 2196691874 FXCFKKSYASMKPH-UHFFFAOYSA-N 308.516 5.274 30 10 DKEE CCCC[C@@](C#N)(CC)c1cc(Cl)c([N+](=O)[O-])cc1Cl 2234466071 VPIVLGVJGKNINZ-CQSZACIVSA-N 315.200 5.263 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H](SC)C1CC1 2236677906 PISGXHNNEAGIPL-QZTJIDSGSA-N 300.552 5.800 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c([C@H](C)N)s1 2239495091 LQLQXOPXLKGSOS-LBPRGKRZSA-N 318.914 5.336 30 10 DKEE C=CC1(C[C@@H](N)c2cc(Br)cc(C(C)C)c2)CCC1 2265959297 UTODJEZSJLONJV-MRXNPFEDSA-N 322.290 5.319 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2270973858 PMNWYBXAXKVIGW-ZBEGNZNMSA-N 300.273 5.555 30 10 DKEE CC(C)(C)C#CC=CCc1ccc(C(F)(F)F)cc1Cl 2285209124 RTLVGENOICEKET-UHFFFAOYSA-N 300.751 5.507 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1[C@H](C)N 2287080551 SGUHAQISUSKGRI-AWEZNQCLSA-N 311.922 5.978 30 10 DKEE CCCCCCCC[C@@H](OCCCN)c1cc(Cl)cs1 2292768586 LPQVXPCKSOASPC-OAHLLOKOSA-N 317.926 5.559 30 10 DKEE CC(=O)C=C(C)Nc1cc2cc(-c3ccccc3)n(C)c2cc1C 2296650840 UCWMUGJPCADSMT-UHFFFAOYSA-N 318.420 5.058 30 10 DKEE CCOc1ccc2ccccc2c1C=NNc1ccc(C)c(C)c1 2322922558 UHIOXZMWSDNWRJ-UHFFFAOYSA-N 318.420 5.301 30 10 DKEE CCn1cc(C=NNc2ccc(C)c(Cl)c2)c2ccccc21 2322974699 SWXJVUGLBXEYDV-UHFFFAOYSA-N 311.816 5.069 30 10 DKEE CCC(=NOCc1cccc2ccccc12)c1ccc(CC)cc1 2330249177 GLDPSDMMHXIJQT-UHFFFAOYSA-N 317.432 5.733 30 10 DKEE CCSc1ccc(C(CC)=NOCc2ccc(F)cc2)cc1 2330293229 HQHHGKIDYNFEHL-UHFFFAOYSA-N 317.429 5.269 30 10 DKEE CCCC(CS)(CCC)COC(CC(C)C)CC(C)C 2360453380 KFPXJZIPFMIRKS-UHFFFAOYSA-N 302.568 5.980 30 10 DKEE CCCC(CS)(CCC)CN(C)C1C[C@H](C)S[C@@H](C)C1 2365720637 NJXSMUGDYNZBHH-GJZGRUSLSA-N 317.608 5.107 30 10 DKEE O=C[C@@]1(Cc2cc(F)c(Cl)cc2Cl)CCCCC12CC2 2377402796 HWUUTZTXHMLXCR-INIZCTEOSA-N 315.215 5.215 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377414423 WTJHOOIKMAQCAY-AAEUAGOBSA-N 318.263 5.255 30 10 DKEE CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)C1 5170721 SFJNPWUINCHGCX-MBSDFSHPSA-N 317.476 6.689 30 10 DKEE S[C@@H](c1cccc(OCc2ccccc2)c1)c1cccs1 6416333 PKDFZBHXCVDOOJ-SFHVURJKSA-N 312.459 5.346 30 10 DKEE C=C(C)Cn1c(/C=C\c2ccc(Cl)cc2)nc2ccccc21 35274755 LEQBNMYDEJGTHJ-XFXZXTDPSA-N 308.812 5.436 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1)c1c(Cl)cccc1Cl 36930443 JRSOZMXGFBGAJG-LLVKDONJSA-N 324.594 5.137 30 10 DKEE N#Cc1cccc(N[C@@H](Cc2cccs2)c2cccs2)c1 37203309 MWFFSBYUBSCBPH-INIZCTEOSA-N 310.447 5.077 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 83204217 FMLNHNAXHDQVCA-LFYBBSHMSA-N 300.785 5.025 30 10 DKEE Cc1cc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)sc1C 87567332 DJSBGEHABLFXEN-JTQLQIEISA-N 324.232 5.162 30 10 DKEE CCCCCCCCCCCCCCn1cc([N+](=O)[O-])cn1 100412272 MXUHIIXRFXJHPB-UHFFFAOYSA-N 309.454 5.492 30 10 DKEE CCCCCCC[C@@H](NC1CC1)c1nc2c(s1)CCCC2 109691306 MBLZYAMXCPMISA-MRXNPFEDSA-N 306.519 5.176 30 10 DKEE CCCCCCCCCCOC(=O)c1c(N)cccc1Cl 111013644 NPBDHBAKBIETHX-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE CCCCCCCCCCC[C@H](N)c1sccc1Cl 126596137 ODUJNJGYWFIZTH-HNNXBMFYSA-N 301.927 6.322 30 10 DKEE FC(F)(F)c1ccccc1C#Cc1ccccc1C(F)(F)F 216059151 OVUAUGZRYXICFV-UHFFFAOYSA-N 314.228 5.124 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(C)cc(Br)c1 232062962 WGOAORWXPRUDNQ-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE CC(=O)c1ccc(C#N)cc1Sc1cc(Cl)cc(Cl)c1 312738811 ITHZUKDRDYFZEL-UHFFFAOYSA-N 322.216 5.219 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)CC1CCCCC1 698419994 RTWABZQZMDAZAK-BEFAXECRSA-N 322.493 5.275 30 10 DKEE CCCCCCC[C@@H](C[C@H](C)COCc1ccccc1)NCC 719133312 BYYUBOSKGPPNCO-FPOVZHCZSA-N 319.533 5.568 30 10 DKEE CC[C@](C#N)(Cc1sc(Cl)cc1Br)C(C)C 1903673907 RXDITFCMVMFDGG-GFCCVEGCSA-N 320.683 5.282 30 10 DKEE CCC(CC)C[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1926161481 JDFUCUNQWFUTQW-QGZVFWFLSA-N 322.493 5.275 30 10 DKEE C=C(Br)CCNC1CCC2(CCCCCC2)CC1 2065939036 QUEYTKZFYBQZHI-UHFFFAOYSA-N 314.311 5.158 30 10 DKEE C=CCCCCCCCCC(=O)c1cncc(Br)c1 2142434802 LEDWCVBIFRKUCA-UHFFFAOYSA-N 324.262 5.334 30 10 DKEE CC[C@H]1CC[C@@](C#N)(Cc2csc(-c3ccsc3)n2)C1 2144694263 GIXIHCXCMJMOMD-LRDDRELGSA-N 302.468 5.134 30 10 DKEE C=CCCCCC[C@@H](NCC)c1c(F)ccc(Cl)c1F 2164181499 BVZQEBILXKKZRR-CQSZACIVSA-N 301.808 5.405 30 10 DKEE C#CCCCC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2173490994 NDZJZDNJDKNCLZ-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE CCCCCCC[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2179250369 SIEBGIRWOPGXIM-AWEZNQCLSA-N 307.787 5.719 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc(Cl)cc(Cl)c2)CC1 2181673446 NITCLVFWGTWVDS-ZDUSSCGKSA-N 311.252 5.949 30 10 DKEE CCCCCCCCCN(C)CCC(F)(F)C(F)(F)F 2195538532 DNOAEYKNGCZIGL-UHFFFAOYSA-N 303.359 5.257 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cccc(Cl)c1Cl 2196172567 UTHWSGXLHRDVEJ-MRXNPFEDSA-N 312.284 5.618 30 10 DKEE C=CCCCCCCC[C@@](C)(O)c1ccc(Br)o1 2220085410 NSTTUZONGGNYDK-OAHLLOKOSA-N 315.251 5.166 30 10 DKEE C=C(CC)C[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2227507942 LKLIPHAQHXOVPK-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1scc(Br)c1Cl 2242665732 HGFZOSCMZDVUTI-LDYMZIIASA-N 322.699 5.027 30 10 DKEE CCC[C@](C=O)(CC)CN(Cc1ccccc1)CC1CCCC1 2244793973 BCJAUHHCRQVNJC-OAQYLSRUSA-N 315.501 5.074 30 10 DKEE C=C[C@H](C)CCNc1ccc(Br)cc1C(F)(F)F 2260240687 ODIKQGYORXPSFC-VIFPVBQESA-N 322.168 5.092 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c([C@H](C)N)s1 2271485917 ROZLNZAGPPDRKK-NSHDSACASA-N 318.939 5.435 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286473889 NQVRZUOLHKVXFO-YVEFUNNKSA-N 314.300 5.945 30 10 DKEE C=CCCCCCCCSCc1c[nH]c(=NCCC)s1 2287190205 VUPAFOJZIQBDAU-UHFFFAOYSA-N 312.548 5.147 30 10 DKEE CCCCOc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324245232 ZOVZCKRUKFMAPW-UHFFFAOYSA-N 322.404 5.099 30 10 DKEE C=CC[C@@H](CCCc1cc(Cl)cc(Cl)c1)CNCC 2341197272 JVWLVXSCIRNLLL-ZDUSSCGKSA-N 300.273 5.118 30 10 DKEE C(=N/c1ccccc1)\c1cc(-c2ccccc2)nn1-c1ccccc1 284030 SBBZFHLBTHOJDW-HAVVHWLPSA-N 323.399 5.290 30 10 DKEE O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1ccccc1 5772594 ZHVGUQMRSWSFDI-CCEZHUSRSA-N 300.357 5.375 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2)o1)/C=C/c1ccccc1 33925799 AIDDQMLIZRUOOF-WCYNZMGESA-N 300.357 5.242 30 10 DKEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)cc2F)C1 37156721 RFDPTEORPZOUPI-BFQNTYOBSA-N 309.425 5.411 30 10 DKEE CCCOc1ccc(/C=N/Nc2ccc(Cl)cc2)cc1Cl 82252021 HTIXQAYPJHSZOL-YBFXNURJSA-N 323.223 5.228 30 10 DKEE SCC1(CSc2cc3ccccc3[nH]2)CCCCCC1 94631074 QRRMXZQETKRXHG-UHFFFAOYSA-N 305.512 5.530 30 10 DKEE CCCCCCCCOc1cccc(Cl)c1CNC1CC1 106595836 IHTLUTVJFMJNIM-UHFFFAOYSA-N 309.881 5.331 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CSC(C)(C)C 115644979 ZQYIFARGGDJWIX-QGZVFWFLSA-N 301.584 6.156 30 10 DKEE CCCCCCCCC[C@@H](CSCC(C)C)NCCC 115645485 XPXHUBHNLXZFLD-SFHVURJKSA-N 301.584 5.885 30 10 DKEE CCCCCCCCOc1ccc(-c2ccc(C=O)cc2)cc1 118092572 WWVFAUSYDZIZCZ-UHFFFAOYSA-N 310.437 5.905 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1sccc1Cl 127931944 SNIWJHKKKOAKGQ-INIZCTEOSA-N 315.954 6.583 30 10 DKEE CSc1cccc(Nc2ccccc2SC(F)F)c1C#N 136607354 LVHKWFUGMVTHFQ-UHFFFAOYSA-N 322.405 5.338 30 10 DKEE CC[C@@H](Nc1cccc(Br)c1C#N)C1CCCCC1 168528668 FXTPTLOCFDGJFO-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@@H](Cc1nc(C(C)(C)C)cs1)NC 228747280 BBHMSSQNEKOFFG-HNNXBMFYSA-N 310.551 5.322 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(C)c(Br)c(C)c1 234456570 QKIOOIKOLVPAJN-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE Cc1cc(Br)cc(C)c1NCCCCC(C)(C)C#N 235736159 RELFBCVZYXRRBU-UHFFFAOYSA-N 323.278 5.198 30 10 DKEE CC(C)C[C@H](C)[C@H](C#N)Sc1ccc(Br)cc1 302585524 SRMHJVRJFZGBBY-FZMZJTMJSA-N 312.276 5.116 30 10 DKEE CCCCCCC[C@@H](C)N[C@@H](C)CCOCc1ccccc1 389940411 MJFHTBLKQGYKQL-MOPGFXCFSA-N 305.506 5.320 30 10 DKEE N#C[C@@H](CNc1ccc(OCc2ccccc2)cc1)C1CCCC1 397205292 SGKMVTUIPJZCMR-IBGZPJMESA-N 320.436 5.007 30 10 DKEE CCCCCCC[C@H](O)c1c(C)ccc(Br)c1F 721716913 HORABJXLBCOPSP-ZDUSSCGKSA-N 317.242 5.291 30 10 DKEE Fc1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1 1848368009 BITUWOOIDGSWBH-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1ccc(C)cc1C 1874577953 NMTNTURWPZBTJR-ZRDIBKRKSA-N 306.405 5.154 30 10 DKEE CCCCCCC[C@]1(O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 1988780035 GDWFACFEQGOKOJ-BQJUDKOJSA-N 316.485 5.093 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(Cl)cc2Br)CC1 2010604624 HDBPSFVKKZCIBP-VIFPVBQESA-N 313.622 5.032 30 10 DKEE CC#CCCCC[C@](C)(N)c1ccc(OCc2ccccc2)cc1 2019543768 HEJDKOKXFPJFDM-QFIPXVFZSA-N 321.464 5.023 30 10 DKEE CCCCCCCCCN(C)c1ccc(Br)cc1 2074943943 FMZWCKVHQWTTSI-UHFFFAOYSA-N 312.295 5.636 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(Cl)sc1C 2098409409 WBOXGDAEFNCHDB-HNNXBMFYSA-N 301.927 6.241 30 10 DKEE N#Cc1cc(F)c(Oc2cc(Cl)ccc2Cl)cc1Cl 2120888475 URSARLOVGUIPFA-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(C)c(Br)cc1C 2136384993 WLJSMSKHLLKKRC-QGZVFWFLSA-N 324.306 5.463 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1cscc1Cl 2148585117 ATAORXXFZRKFHL-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cccc(SC(F)(F)F)c1 2164167100 ZCHMNKGFHYODNL-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=C([C@@H](NCCC)[C@]1(C)CCCCC1(F)F)[Si](C)(C)C 2167949884 LQLNUZQGUTWNLT-CABCVRRESA-N 303.513 5.004 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@@H]1N 2172985848 AUVIRKZZQWFIGE-UWVAXJGDSA-N 301.455 5.247 30 10 DKEE N#Cc1cc(F)c(Sc2nc3ccccc3s2)cc1Cl 2177382172 XAYXJJXBFOIUQS-UHFFFAOYSA-N 320.801 5.112 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(Cl)c(Cl)c1OC 2203428516 OMZWIXHRRYZCFY-MRXNPFEDSA-N 318.288 5.536 30 10 DKEE C[C@H](Nc1cc(F)c(Cl)cc1Cl)c1ccc(C#N)cc1 2203781541 KXXDCVUCILWXMT-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(C)C[C@@H](NCCC)c1sc(C)c(C)c1Br 2215903360 VFNDEJIHBZBGDU-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=CCCCCCCCN(C)Cc1ccc(Br)o1 2220081589 HLVAFJQENNLYDQ-UHFFFAOYSA-N 314.267 5.001 30 10 DKEE C#C[C@H](CC(C)C)N[C@@H](c1cccs1)c1ccc(Cl)s1 2234695089 OGEGJHKFUDTSMW-WBMJQRKESA-N 323.914 5.190 30 10 DKEE C=CCCCCCCC[C@@H](N)CSc1cccc(Cl)c1 2235518773 JPQHDEVQIJNRFG-MRXNPFEDSA-N 311.922 5.676 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2236309541 TXQRKAGLWKYZMU-CQSZACIVSA-N 306.755 5.529 30 10 DKEE C=CCCCCCCCSC[C@@H](O)c1ccccc1Cl 2287083808 QEZRPDBMCAMKNM-QGZVFWFLSA-N 312.906 5.633 30 10 DKEE CCCCCCCC[C@H](OCCCN)c1sccc1Cl 2292802773 WGJHMRVASHRSJN-HNNXBMFYSA-N 317.926 5.559 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Br)c(C)c1 2321141110 MJWMMTXMBASCPC-HOTGVXAUSA-N 310.279 5.010 30 10 DKEE CCC(=NOCc1cccc(Cl)c1)c1ccc2c(c1)CCC2 2330276454 KQBDJJJHMOOWQH-UHFFFAOYSA-N 313.828 5.160 30 10 DKEE Cc1ccc(C(=NOCc2cccc(Cl)c2)C2CC2)cc1C 2330296669 DGIOKYBMTGCKEI-UHFFFAOYSA-N 313.828 5.288 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2340799982 WMGPERNRDRAHCM-MEBBXXQBSA-N 304.236 5.385 30 10 DKEE C=C(CC)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341122072 QBLYGZCILCINRV-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C=CCC(CC=C)Sc1cc(CN[C@H](C)CC)sc1C 2360376348 RSXOKGLFRQSJIN-CYBMUJFWSA-N 309.544 5.558 30 10 DKEE C#CCCCCCCNCc1cc(-c2cccs2)cs1 2364144139 WATWCBWSELRPRG-UHFFFAOYSA-N 303.496 5.150 30 10 DKEE CCCC[C@@](C=O)(CC)CCCCC(F)(F)C(F)(F)F 2368177209 OTXVZRPVJRKFGF-LBPRGKRZSA-N 302.327 5.530 30 10 DKEE Cc1ccc(-c2c(C)sc3nc(C(C)C)c(CC#N)n23)cc1C 36256479 ADTGIJMFDIJMCE-UHFFFAOYSA-N 323.465 5.178 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37153976 OPCLBQXUGUYIPV-TYNCELHUSA-N 302.468 5.107 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl 37346291 CDHAFVDVFPJAHB-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)C1 91880626 ZYRQGFMFBKPQJV-HFBAOOFYSA-N 312.240 5.137 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2ccc(Cl)cc2Cl)CC1 91880746 VJAQSZAZEKVQEV-CQSZACIVSA-N 312.240 5.137 30 10 DKEE CCCC(CS)(CCC)COc1ccc(Cl)cc1C 94583127 SHSOOPKBEGDXHC-UHFFFAOYSA-N 300.895 5.544 30 10 DKEE CCCC(CS)(CCC)CSc1nc2ccc(C)cc2[nH]1 94589425 LVZQMBBDUNVBTO-UHFFFAOYSA-N 322.543 5.480 30 10 DKEE CCCCCCCCCC[C@@H](CSCC(C)C)NCC 115645404 ZRRRSTFKFQKDQM-SFHVURJKSA-N 301.584 5.885 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1CC 162084556 ATGIYOGAVIQHCH-SJORKVTESA-N 316.576 5.714 30 10 DKEE CC(C)c1ccc(Nc2ccc(C#N)cc2Br)cc1 213282828 YWBQCZNMWDZLKT-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C/C=C(\CCCCCCC/C=C\CCCCCCCC)OC 216506901 INJCWUBWAUIVEG-CWEHOKCFSA-N 308.550 7.574 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccccc1C)[C@H]1CC=C[C@@H]21 226865647 RTCFHAXKLLFYML-LVCYWYKZSA-N 317.432 5.386 30 10 DKEE CC(C)(CCC#N)CNc1cc(C(F)(F)F)ccc1Cl 229667536 ZFNMXIBQYLDWTB-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE CCCCCCCCC[C@H](N)c1cscc1Br 229839088 XJXYSYWDBNWIFG-AWEZNQCLSA-N 318.324 5.651 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Cl)cc(Br)c1 233532322 DUCODICVUYANEJ-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=CCCCCCOc1c(Cl)cc(Cl)cc1CNCC 233557952 FYOBQYWBVASLFA-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE CCCCCCCCNC[C@@H](c1ccc(C)cc1)N1CCCC1 257627496 BJFRJRHEEYTMCA-NRFANRHFSA-N 316.533 5.082 30 10 DKEE N#CC1(COc2cc(Cl)c(Cl)cc2Cl)CCCC1 405100512 CZPQSGGDQKTCCM-UHFFFAOYSA-N 304.604 5.110 30 10 DKEE CC[C@H](C)C[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698859142 YQGGEYINZNZNDB-DOTOQJQBSA-N 322.493 5.275 30 10 DKEE CCCCOc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 1614826187 WWMHCSUROWIQMZ-UHFFFAOYSA-N 318.338 5.284 30 10 DKEE CC(C)C[C@@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1939035947 PHHOIPNSTBJBIA-DNVCBOLYSA-N 322.493 5.131 30 10 DKEE C=C(C)CC[C@H](NCC)c1sc(CC)cc1Br 2000381907 JDHJSPYVEGCQOW-ZDUSSCGKSA-N 316.308 5.080 30 10 DKEE CCCC[C@](C)(C=O)Cc1ccc(Br)cc1Cl 2000482739 GPYQVDCISITYNX-AWEZNQCLSA-N 317.654 5.040 30 10 DKEE C=C(C)CC[C@@H](C)NCc1c(Cl)ccc(Cl)c1Cl 2035362609 CKXZXCULSWWHFW-SNVBAGLBSA-N 306.664 5.481 30 10 DKEE O=C(C1=CCCCCC1)c1c(Cl)ccc(Cl)c1Cl 2045579349 CCBULQLRUIEJKB-UHFFFAOYSA-N 303.616 5.720 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2cccc(C)c2Br)C1 2087878762 BNTQTBAVSJLSFI-PBHICJAKSA-N 323.274 5.086 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(C)c(Br)c1C 2108007288 TUPXDMKSSYVOCV-ZBFHGGJFSA-N 322.290 5.073 30 10 DKEE C=CCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2123080018 JIYUJQIBHCCDJF-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2scc(Cl)c2Cl)cc1C 2152528773 ZVYSGMJZEKLPTH-LLVKDONJSA-N 324.232 5.162 30 10 DKEE C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)c2ccsc2S1 2152742473 CYJUESIKVIPYCT-YMTOWFKASA-N 320.870 5.311 30 10 DKEE C=C1CC(CNCC(C)C)(Cc2ccc(Cl)cc2Cl)C1 2159593274 VGPHLZYMCGXSJD-UHFFFAOYSA-N 312.284 5.118 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(C(F)(F)F)cs1 2164264466 JRQUZXSMECCVTG-RISCZKNCSA-N 305.409 5.410 30 10 DKEE C=C(C[C@H](NCCC)c1cc(-c2cccs2)cs1)OC 2171011055 RIXBVPZQXMETSW-AWEZNQCLSA-N 307.484 5.068 30 10 DKEE CCCCCCCCN(C)Cc1cc(C(F)(F)F)cs1 2195488819 UILSQOJSGHBPBK-UHFFFAOYSA-N 307.425 5.559 30 10 DKEE C=CCCCCCCCCC[C@@H](NN)c1csc(Cl)c1 2207438409 RIOCPGFYYDGRQA-OAHLLOKOSA-N 314.926 5.603 30 10 DKEE CCCCCCCC[C@@H](C)N[C@@H]1CCC=C1Br 2217313848 NCOJPMAERCQHOI-UKRRQHHQSA-N 302.300 5.156 30 10 DKEE CCCC(CS)(CCC)CSCCCCCC1CC1 2227197727 QYWQLXZUHVIYER-UHFFFAOYSA-N 302.593 6.206 30 10 DKEE C=C(Cl)COc1c(Cl)cc(Cl)cc1CN[C@H](C)CC 2231569680 AEMOUTZFEIBBLX-SNVBAGLBSA-N 322.663 5.013 30 10 DKEE N#C[C@H](C(=O)c1ccccc1Cl)c1cc(Cl)ccc1Cl 2234055127 ADECHSYTNHZDSX-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE C=CCCCCCCC[C@@](C)(O)c1ccc(Cl)cc1Cl 2235532338 JKIDWMCECOZWSQ-QGZVFWFLSA-N 315.284 6.118 30 10 DKEE O=C(C#CC1CCCCC1)c1ccc(-c2cccs2)s1 2289678390 FPPRWBLUCRTMTO-UHFFFAOYSA-N 300.448 5.243 30 10 DKEE N[C@@H](C#CC1CCCCC1)c1ccc(-c2cccs2)s1 2289700458 MMKKOWXCIIKJSK-AWEZNQCLSA-N 301.480 5.060 30 10 DKEE COc1ccc(C=Nc2ccc(C=Cc3ccccc3)cc2)cc1 2295369005 AMWLHYSTQXHJRQ-UHFFFAOYSA-N 313.400 5.616 30 10 DKEE Cc1cc(Cl)c(C(=O)C=Cc2ccc(Cl)cc2)cc1C 2295967937 MYECEVKGOZJZLW-UHFFFAOYSA-N 305.204 5.506 30 10 DKEE OC1=CC(=Nc2ccc(Cl)cc2Cl)C[C@H](c2ccco2)C1 2297747177 HRXVWWQGQYBLSD-JTQLQIEISA-N 322.191 5.678 30 10 DKEE C=CCCN(Cc1ccccc1)[C@H](C)c1cccc(OC2CC2)c1 2303238732 NMQCMTADTZTFGK-GOSISDBHSA-N 321.464 5.367 30 10 DKEE CCC(=NOCc1ccccc1C)c1ccc2c(c1)CCCC2 2330251629 UYIJMSDYHNTJSN-UHFFFAOYSA-N 307.437 5.205 30 10 DKEE CCC(CC)(CS)COCCCCC(F)(F)C(F)(F)F 2362722560 QQWCZKKROKHNNZ-UHFFFAOYSA-N 322.383 5.107 30 10 DKEE COc1ccc(/C=C2/CC/C(=C\c3ccc(Cl)cc3)C2=O)cc1 17314071 SCVPVVMRBNWPHT-OHCYLCFFSA-N 324.807 5.179 30 10 DKEE N#C[C@@H](C(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 50039223 APAOPWDCZLQFBN-LLVKDONJSA-N 324.594 5.137 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 83201718 NFXSQJKQDXLLBV-MDZDMXLPSA-N 300.785 5.025 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Cl)c(Br)c1 125464627 GHLSOFWWMJFKCX-AWEZNQCLSA-N 319.670 5.496 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1c(Cl)cnn1CC 126196538 LVFRALGANJQLBX-MRXNPFEDSA-N 313.917 5.348 30 10 DKEE CCCCCCCCCC[C@H](NC)c1snnc1CCC 143408009 DWTXMEKGMDLXNY-HNNXBMFYSA-N 311.539 5.282 30 10 DKEE N#CC1([C@@H](O)c2ccc(Cl)cc2Cl)CCCCCCC1 156800734 GPQUWCPPJIUUEZ-HNNXBMFYSA-N 312.240 5.281 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1c(Cl)cccc1Cl 158911958 MFXDLJDTIDXNJU-MRXNPFEDSA-N 300.273 5.116 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2cc(Cl)ccc2F)CC1 165710957 XEGPFLFWJNIUFK-PDOTXMHQSA-N 309.812 5.013 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Br)c(C)s1 227716825 PZMAJVIFQBTAHT-GFCCVEGCSA-N 304.297 5.179 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cccc2ccsc12 228967461 WHCDHQRASPOIIS-GOSISDBHSA-N 303.515 6.303 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(F)c(Cl)c1 232025615 ZUZQGNSQSHRJQV-NSHDSACASA-N 306.252 6.293 30 10 DKEE Cc1cc(C2(C#N)CCC2)cc(Cl)c1OCc1ccccc1 260605427 NTEAUBUJPCSYIP-UHFFFAOYSA-N 311.812 5.173 30 10 DKEE C=C1C[C@H]2CC(Nc3cccc(Br)c3F)C[C@@H](C1)C2 689207747 WCRSTUJNVRWSHQ-FUNVUKJBSA-N 324.237 5.135 30 10 DKEE C=CCC[C@H](C)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 697608923 WMBZNBYZVYXGDY-AWEZNQCLSA-N 304.434 5.109 30 10 DKEE Cc1ccccc1[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698480869 YSPJDWYBJKYSMK-GOSISDBHSA-N 322.408 5.001 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](CCC)CC1 698956685 BYIGSFSOVIYYDK-QFBILLFUSA-N 320.477 5.052 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cc(Br)cs1 703949071 UAJWCAHARXJTDT-LLVKDONJSA-N 316.308 5.154 30 10 DKEE C=C(C)C[C@@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712553581 MULHRTOZBWTADM-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE CC(C)=CCC/C(C)=C/C=C/C(=O)/C=C/c1ccc2c(c1)OCO2 1616046679 NSPQEPMNIYYXAC-XJTARSRMSA-N 324.420 5.247 30 10 DKEE CCC(CC)c1nc(C#N)c(NN=Cc2ccc(C(C)C)cc2)o1 1772723624 LNOHIZDZTLVKHZ-UHFFFAOYSA-N 324.428 5.019 30 10 DKEE C/C(=N\OCc1cc(Cl)ccc1F)c1ccc(C(C)C)cc1 1857936323 GZEWAEMSNIDUBS-FYJGNVAPSA-N 319.807 5.543 30 10 DKEE C/C(=N\OCc1cccc(Cl)c1)c1ccc(OC(C)C)cc1 1857939399 ZOWVFSKMWZKMGJ-XSFVSMFZSA-N 317.816 5.068 30 10 DKEE C#Cc1cccc(N(CC)Cc2cc(Cl)sc2Cl)c1 1883055058 JUSZNCHGVUGRQL-UHFFFAOYSA-N 310.249 5.063 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@H](C)CCO 1915129795 CXVUPAGFYZZBKY-HXUWFJFHSA-N 319.533 5.400 30 10 DKEE C[C@@H]1CCC[C@]1(C#N)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1921094416 LUIWGCMDMHDPAK-NFMODRRSSA-N 318.631 5.010 30 10 DKEE CC1(C)OB([C@@H]2C[C@@H]2[C@H]2C[C@H]2C2CCCCCC2)OC1(C)C 1993064756 RNDMEJCRQWNWRC-MWDXBVQZSA-N 304.283 5.075 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(CNC(C)C)cc1C 2013177187 KJLLULVMZYKUBL-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE N#CC1(CSc2ccc(Cl)cc2Cl)CCCCC1 2047532084 BKXUYFHFBYIOJW-UHFFFAOYSA-N 300.254 5.560 30 10 DKEE N#C[C@]1(Cc2ccc(Br)cc2Cl)CCC12CCC2 2047957215 XQOXMNQXKRYJJL-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE CCCCCCCCC[C@H](N)c1snc(Cl)c1Cl 2048325020 SXBDNTSIJWFHEQ-JTQLQIEISA-N 309.306 5.590 30 10 DKEE CCC1CCC(C#N)(Cc2snc(Cl)c2Cl)CC1 2048351773 MMGRZRPDHOBJDF-UHFFFAOYSA-N 303.258 5.103 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2107875294 JMLFTKVUEBRPMO-ZUZCIYMTSA-N 320.691 5.900 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2138993412 IVSGBYNECRHTCP-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1ncc(Cl)s1 2141908179 LTPMGGTZAFKRGK-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE CCCCCCCC[C@@H](NC)c1csc(C(F)(F)F)n1 2144135375 WGGJDFVDVGFUSD-LLVKDONJSA-N 308.413 5.173 30 10 DKEE CCCN[C@H](CC#CC1CCCCC1)c1cscc1Cl 2149871169 QMOYRYVZHVACJK-QGZVFWFLSA-N 309.906 5.416 30 10 DKEE CC#CCC[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164197685 RKHHXRGVVDFCDS-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE Cc1scc(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)c1C 2203961689 IMBZZQVVXNJYLY-ZDUSSCGKSA-N 324.232 5.162 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)[C@@H](CO)C(C)C 2211144177 AFNDEYHESVBGOO-NRFANRHFSA-N 317.517 5.032 30 10 DKEE C=CCCCCCC(=O)c1sc(C)c(Br)c1C 2213769976 VCNQFRBUWMCFGU-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(C(F)(F)F)ns1 2240620176 QFGPSPDWQXTEEZ-ZDUSSCGKSA-N 309.397 5.120 30 10 DKEE C=C(C)CC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243557978 NGLNOBODTXOVLI-KRWDZBQOSA-N 319.445 5.040 30 10 DKEE C=C(C)CCCC[C@H](N)c1scc(Br)c1Cl 2244639785 VBLONKNDLWNWOA-JTQLQIEISA-N 322.699 5.300 30 10 DKEE C=C(C)CCCC[C@@H](O)c1sc(Cl)cc1Br 2244958232 TVRAVHKJPIKBKJ-SNVBAGLBSA-N 323.683 5.334 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1scc(Cl)c1Cl 2268838115 DTKZKRIWWPMYLN-GFCCVEGCSA-N 316.297 5.311 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Cl)cc1Cl 2271839946 XBRTVVYYWWMZBA-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE C=CCCCCCCCC[C@H](O)c1csc(Cl)c1OC 2284184780 JANXHSSAMKTYAZ-AWEZNQCLSA-N 316.894 5.750 30 10 DKEE CCCCCCCCC[C@](C)(OCCCN)C1(Cl)CC1 2294465194 VRHCCHQGJBNESZ-INIZCTEOSA-N 303.918 5.023 30 10 DKEE CC(C)(C)C(=NSc1ccc([N+](=O)[O-])cc1)c1ccccc1 2297708705 JABPUQOEDKVXGZ-UHFFFAOYSA-N 314.410 5.137 30 10 DKEE N#C[C@H]1CCCCC[C@H]1SCc1ccc(Br)cc1 2318735882 ZEUUTVXNDKRTOQ-UKRRQHHQSA-N 324.287 5.155 30 10 DKEE C=C1CC([C@H](Cc2ccc(Cl)c(Cl)c2C)NCCC)C1 2364018206 OWUJKWVBDSEGAD-INIZCTEOSA-N 312.284 5.179 30 10 DKEE C=C1CC(C[C@H](NCCC)c2c(Cl)cc(F)cc2Cl)C1 2366411124 GFVIDTFQKOPMCO-HNNXBMFYSA-N 316.247 5.530 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Sc1ccc(Br)cc1 37156691 YWIXTRBVTQWNAN-SMDDNHRTSA-N 310.260 5.014 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)c1 83194263 KWUSIXQKLCSYAZ-RMKNXTFCSA-N 321.203 5.288 30 10 DKEE CCOc1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1 96551554 UNGQFKPEWMHYRF-YHYXMXQVSA-N 321.203 5.288 30 10 DKEE CCCCCCCCCCCCOc1ccc(C=O)c(O)c1 101005639 JKVIAFPHWQNNGA-UHFFFAOYSA-N 306.446 5.504 30 10 DKEE CCCCCCCCC(=O)N(C1CCCCC1)C1CCCCC1 108459654 LKDIHGHOKBZBRS-UHFFFAOYSA-N 321.549 6.231 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(Br)s1 110221605 ZTSUAWGQNQBCLP-GFCCVEGCSA-N 318.324 5.522 30 10 DKEE CCSc1cccc(Nc2ccc(Cl)cc2Cl)c1C#N 136606891 VCRNNCDJUYFXPV-UHFFFAOYSA-N 323.248 5.721 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1CCCC[C@@H]1C(F)(F)F 139485453 ZCRKWZOWQHFJPH-PMPSAXMXSA-N 307.444 5.823 30 10 DKEE CCCCCCCCc1c[nH]c2c(Br)cccc12 232936700 PFQNBEXCBOTTFX-UHFFFAOYSA-N 308.263 5.833 30 10 DKEE CCCCCCCCCC[C@H](NC)c1scc(C)c1Cl 232965756 YYUXBIYODFCMRW-HNNXBMFYSA-N 315.954 6.501 30 10 DKEE CCCCCCCCC[C@H](N)[C@H]1CCCC[C@H]1C(F)(F)F 252988768 ZCRKWZOWQHFJPH-XHSDSOJGSA-N 307.444 5.823 30 10 DKEE CCCCCCCC[C@]1(C#N)CCCN1C(=O)OC(C)(C)C 309887473 LPPUFQJFDJXQHW-GOSISDBHSA-N 308.466 5.030 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCC[C@H](C)C1 314176206 LVSKCRSXYZOFEK-BLLLJJGKSA-N 306.247 5.020 30 10 DKEE Cc1scc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)c1C 399776374 QKSWKHKLZNNJDD-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE CCCCCCCCCCCC[C@@H](CCCSC)NC 401472113 IOWNEMIUURRFDC-SFHVURJKSA-N 301.584 6.029 30 10 DKEE C[C@@H]1c2sccc2CCN1CCCCCCCCCS 711841899 HLAICBISPRNYHB-OAHLLOKOSA-N 311.560 5.328 30 10 DKEE CCCCCCCNCc1ccc(C)c(Br)c1C 719570798 FERSFFJQVIFPOC-UHFFFAOYSA-N 312.295 5.126 30 10 DKEE CCCCCCCC(=O)c1ccc(C)c(Br)c1C 719612002 JKRMJMDMYDCDJM-UHFFFAOYSA-N 311.263 5.609 30 10 DKEE CCc1cc(C#N)ccc1Sc1ccc(Br)cc1 725441189 ZYYAGMNREAIBOQ-UHFFFAOYSA-N 318.239 5.034 30 10 DKEE Clc1ccc(C#Cc2cc(Cl)ccc2Cl)c(Cl)c1 1614827400 XRVBCHHGPFFBIU-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)Cc2cccs2)C1 1915388740 QYEGWJOPPPQPGG-YVWKXTFCSA-N 324.493 5.079 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CC)CCCC 1922079919 JPWWJLJDAUKEHB-SFTDATJTSA-N 317.517 5.344 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@@]1(C#N)CCCC(C)(C)CC1 1939900090 NURSQYDFSFXDLC-WIYYLYMNSA-N 313.485 5.730 30 10 DKEE CCc1ccc(C#N)c(N(Cc2ccccc2)[C@@H](C)C(C)C)c1 1988048658 LIWPOSYLNMJCJZ-KRWDZBQOSA-N 306.453 5.172 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cc(Br)cs1 2005585442 FROAXHWXNSEBSV-CQSZACIVSA-N 312.276 5.163 30 10 DKEE CCCCCC#CCC(=O)c1cccc(OCc2ccccc2)c1 2024419336 SHSYPPRKSNHWRZ-UHFFFAOYSA-N 320.432 5.422 30 10 DKEE O=C1C(=Cc2cccs2)[C@H](c2ccccc2)Oc2ccccc21 2053527925 SOZDMJDHJAWHMK-FQEVSTJZSA-N 318.397 5.148 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ncc(Cl)cc1Cl 2102109886 BYEJEGATBPJOHP-FZMZJTMJSA-N 301.261 5.031 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Cl)cc(Cl)c1 2141915004 XGOHDPPJWOGAHG-INIZCTEOSA-N 300.273 5.781 30 10 DKEE C=CCCCCCCCCNc1cc(C)cc(Br)c1 2142447244 SKWUICIPGZIKJC-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE CCCN[C@H](CCC#C[Si](C)(C)C)c1ccccc1Cl 2187476200 JESZWQZSLHLHSZ-QGZVFWFLSA-N 307.941 5.042 30 10 DKEE C=CCCCCC[C@H](NCCC)c1csc(C(F)F)n1 2188750436 ILJNKUZPNQWVQP-LBPRGKRZSA-N 302.434 5.258 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2224368131 ATSRXWUEYOVCHU-HZMBPMFUSA-N 320.691 5.900 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1cc(Cl)ccc1Cl 2235541391 HXGFTAXDMQEMNP-INIZCTEOSA-N 314.300 5.780 30 10 DKEE CCCCCCCC(=O)c1cc(Br)c(F)cc1C 2258108982 SVIXNDLTTWGMDY-UHFFFAOYSA-N 315.226 5.440 30 10 DKEE CC(C)c1cc(Br)cc([C@H](N)CC#CC(C)(C)C)c1 2265964083 BQASDLJHKJQAOZ-MRXNPFEDSA-N 322.290 5.012 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1C 2270981518 KBOXCBPWPADFED-MRXNPFEDSA-N 300.273 5.828 30 10 DKEE O=C(C=CNc1ccc(Oc2ccccc2)cc1)c1ccccc1 2293438536 DZYOBZZMSCZGAY-UHFFFAOYSA-N 315.372 5.287 30 10 DKEE CCOc1ccccc1C=CC(=O)c1ccc(Cl)cc1Cl 2294300032 LPRVXBPWNBDGQR-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(C#Cc2ccccc2)s1 2295146391 GUHHAZSXQKFBOV-UHFFFAOYSA-N 314.409 5.044 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2c(C)cccc2C)cc1 2296875818 GQZICKUXAQIFIY-UHFFFAOYSA-N 323.436 5.291 30 10 DKEE COc1ccccc1-c1ccc(C=CC(=O)c2ccc(C)cc2)o1 2297616333 CQDMOKZWOAEXEK-UHFFFAOYSA-N 318.372 5.160 30 10 DKEE O[C@H](CC#CC1CCCCC1)c1c(Cl)cc(F)cc1Cl 2366412232 WIBGYPJOTHXHBT-OAHLLOKOSA-N 315.215 5.140 30 10 DKEE CCCCCCCC(=O)CC(=O)c1cc(Cl)ccc1Cl 59207870 FVVCDAIBTOXBIT-UHFFFAOYSA-N 315.240 5.496 30 10 DKEE CCCCCCCOc1ccccc1[C@@H](C)NCC(C)(C)C 100047883 SEWZVUPPTDLKCF-QGZVFWFLSA-N 305.506 5.733 30 10 DKEE CC[C@@H]1O[C@H]1C[C@@H](CC)c1ccc(OCc2ccccc2)cc1 107579396 VBIXRPXETXQTHK-QMMLZNLJSA-N 310.437 5.327 30 10 DKEE CCCCCCCCCSc1cccc([C@@H](C)NCC)c1 114926013 QYEYWDGUJNUBFE-QGZVFWFLSA-N 307.547 6.200 30 10 DKEE CCCCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NN 123304921 VZYJSEKWWKHFDZ-HNNXBMFYSA-N 317.304 5.118 30 10 DKEE CCCCCCCCC(=O)c1ccc(F)c(Br)c1 126135607 SAPFZDWXTLUSLF-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE CCSc1cccc(N(C)C2CCC(CC)CC2)c1C#N 136637511 HXDUZFGVQZEHAV-UHFFFAOYSA-N 302.487 5.075 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2ccc(Cl)cc2F)CC1 165703609 OSTALRHAMGGHGT-PTXATLKXSA-N 309.812 5.013 30 10 DKEE CC(C)(C)c1ccc([C@@H](O)C2(C#N)CCCCCCC2)s1 166295657 TXMLZQKSUWLNRQ-MRXNPFEDSA-N 305.487 5.333 30 10 DKEE C=CCSc1ccccc1N[C@H]1C[C@H](C)CC[C@H]1C(C)C 218092674 GVUHZOVDZAYVGR-RYRKJORJSA-N 303.515 5.837 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)c2ccccc2Cl)C1 222807117 TZIFBTVBYPDXKV-BORJPKMPSA-N 304.865 5.051 30 10 DKEE CC(C)c1ccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@@H]32)cc1 226724976 ZVYGFJIJGLOJOI-DYXWJJEUSA-N 314.432 5.508 30 10 DKEE C=CCCCCCOc1ccc(Br)c(Cl)c1 313493567 BGANUVJZOFZHKE-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1cc(Cl)cc(C(F)(F)F)c1 695858705 IZRJXPFDXBNQRC-VIFPVBQESA-N 304.743 5.099 30 10 DKEE CCCCCCCCN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 718095366 ZHMNWJHIIYRCJO-WOJBJXKFSA-N 317.517 5.320 30 10 DKEE N#Cc1cccc(NC(=O)c2c3ccccc3cc3ccccc23)c1 1891062841 FPWUNPHJCCRHPB-UHFFFAOYSA-N 322.367 5.117 30 10 DKEE CCCCCCCC[C@H](O)c1scc(Br)c1C 1922988970 MOAPENNGEBWIPU-ZDUSSCGKSA-N 319.308 5.603 30 10 DKEE CCCCCCCCC[C@H](NCC)C(F)(F)Br 2000354588 CEGLHVXFQOPXQH-LBPRGKRZSA-N 314.258 5.093 30 10 DKEE C=C(F)C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2062214274 LWSMBJTXDGVILS-LLVKDONJSA-N 310.627 5.561 30 10 DKEE C=CCC[C@H](NCCC)c1cc(C)c(Br)cc1C 2081073672 JGWKHTCQRMFORS-INIZCTEOSA-N 310.279 5.073 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2116656177 OIOYRFFRCBHRTE-JSGCOSHPSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cccc(Br)c1 2141910344 XXOMDKFPWOXVTK-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE C#CCCCCC[C@H](NCC)c1cc2sc(C)cc2s1 2156530378 ZSXZRZFSVIOLEW-AWEZNQCLSA-N 305.512 5.506 30 10 DKEE C=CC1(C[C@@H](NCCC)c2ccc(Cl)c(Cl)c2)CCC1 2168022952 IQLYAZKXJBEFQO-MRXNPFEDSA-N 312.284 5.781 30 10 DKEE CCC[C@H](Nc1cc(Cl)c(C#N)cc1F)c1cccs1 2177382248 YDSMJFZSIRXEOV-ZDUSSCGKSA-N 308.809 5.366 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)c(C)cc1Cl 2201358710 UQTLJQABXZWCLZ-QGZVFWFLSA-N 316.316 6.313 30 10 DKEE C#C[C@@H](N[C@H](C)c1c(Cl)cccc1Cl)C1CCCCC1 2203804008 DUUDOUAFAPHHHQ-MLGOLLRUSA-N 310.268 5.226 30 10 DKEE C=C[C@@H](CCCCC)OCc1cc(F)ccc1Br 2223243676 WVCHAYKOBDAZLK-AWEZNQCLSA-N 315.226 5.240 30 10 DKEE C=CCCCCCCC[C@H](NC)[C@@H]1SCCS[C@H]1CC 2235518409 GKMKOTJLZTXHHR-ULQDDVLXSA-N 315.592 5.118 30 10 DKEE C=C[C@@H](CCCCC)OC[C@H](N)c1ccc(Cl)cc1Cl 2239489740 LFFOIPAJFGYLJC-BBRMVZONSA-N 316.272 5.145 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1ccc(Cl)cc1Cl 2240622588 VJHHUWFDLVMOQI-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE CC(C)C(CCOc1c(Br)cccc1C#N)C(C)C 2269719863 GKJVWGDKXKPMHO-UHFFFAOYSA-N 324.262 5.018 30 10 DKEE C=C[C@@H](C)CCN(C)CCSc1cc(Cl)ccc1Cl 2273211810 YJOMADAIIMWMFU-GFCCVEGCSA-N 318.313 5.230 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2ccc(C(F)(F)F)s2)CC1 2295001563 NTUDSKZTLRVRJC-JTQLQIEISA-N 302.361 5.332 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2344338576 ANXQDPUDVJJNNZ-MEBBXXQBSA-N 320.691 5.900 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Cl)c(C(F)F)s1 2345077524 DWKYFLWIWKNQIC-CQSZACIVSA-N 309.853 5.874 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 2370537534 YUCPJMFBBBQFSW-UONOGXRCSA-N 305.771 5.351 30 10 DKEE Clc1cccc(N/N=C/c2cccc(Oc3ccccc3)c2)c1 6675100 IBHFBAJBXWNLBX-KGENOOAVSA-N 322.795 5.578 30 10 DKEE CCOc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1 33411005 PBGJXYCMCKJYMU-WMZJFQQLSA-N 321.203 5.288 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)c2)CC1 86955687 OKMCDPWFZORIGN-CABCVRRESA-N 304.865 5.619 30 10 DKEE Cc1ccc(C(C)C)cc1OCCCCCCCCCS 97799809 GBKHHJUUJUDNDB-UHFFFAOYSA-N 308.531 6.158 30 10 DKEE CCCCCCC[C@@H](NC(=S)c1ccccc1)SC(C)C 102994061 YPALAECJEJYNQY-KRWDZBQOSA-N 323.571 5.780 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1sccc1CC 157919417 IPGHJQJORDXADN-GOSISDBHSA-N 309.563 6.492 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc2c(s1)CCCC2 157946910 DSZAOBKBYFIRQH-KRWDZBQOSA-N 307.547 6.028 30 10 DKEE ON=C1CCC=CCCC=CCC[C@H]1SC1CCCCC1 254393445 KLONIKNSYIBQKF-GOSISDBHSA-N 307.503 5.718 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(OCc2ccccc2)cc1 309827082 FEQOMOFUFFCMOY-NRFANRHFSA-N 309.453 5.273 30 10 DKEE C=CCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 405812680 MKCGNAAHHPTIIS-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE CCC[C@](C#N)(C1CCCC1)N(CC(C)C)C(=O)OC(C)(C)C 698852081 BOXXWAGSCAPFAB-IBGZPJMESA-N 322.493 5.132 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(F)ccc(F)c1Cl 705555056 ISDQJGBLUSFBHV-CQSZACIVSA-N 304.808 5.792 30 10 DKEE CCCCCCCC[C@@H](N)c1oc(Br)cc1C 716116839 IMVPKVMWMQNSMI-GFCCVEGCSA-N 302.256 5.101 30 10 DKEE CCC1CCC(C#N)(CCc2cc(Cl)cc(Cl)c2)CC1 722120715 SJAATFVKGHYFFN-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE Cc1ccc(C#Cc2cc(C(F)(F)F)ccc2Cl)cc1C 1614826666 JRANVLVOAAMMBJ-UHFFFAOYSA-N 308.730 5.375 30 10 DKEE CCCCCCCCNC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 1871277101 SZKYRQCHMJOKFR-OCCSQVGLSA-N 320.304 5.054 30 10 DKEE C=CC1(C[C@@H](O)c2cscc2OCc2ccccc2)CCC1 1960780576 NOMJNQDCKSSERJ-QGZVFWFLSA-N 314.450 5.107 30 10 DKEE CCCCCCCCNCc1cccc(C)c1Br 2027598719 OWKBKKUYRVNDLM-UHFFFAOYSA-N 312.295 5.208 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107939022 DYICGOQOQSEILU-GWCFXTLKSA-N 318.675 5.654 30 10 DKEE CCCCCC#CC[C@H](NCC)c1ccccc1Br 2138962609 HARHLCIUWGANBU-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=C([C@@H](NC)c1cccc(SC(F)(F)F)c1)C(C)(C)C 2164082252 CNSXJBMRFSFEKM-CYBMUJFWSA-N 303.393 5.161 30 10 DKEE C#CC[C@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2164216900 DMOCGMMQHRCZKF-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CN(CCCCCCCCCS)C[C@@H]1CCCC1(F)F 2166665373 JDBSUEGCSLTHDN-HNNXBMFYSA-N 307.494 5.014 30 10 DKEE CC#CCCCC[C@H](NCC)c1cc2sc(C)cc2s1 2196171642 LHIQVMCBMBSGMV-AWEZNQCLSA-N 305.512 5.506 30 10 DKEE CCCCCCCN(C)CC(=O)c1cc(Cl)ccc1Cl 2196692071 HHWPEOUHVJWMHK-UHFFFAOYSA-N 316.272 5.078 30 10 DKEE CCCCCCCCN(C)[C@H](c1ccc(Cl)s1)[C@@H](C)N 2196735759 ACVUPIXIKOUPFR-CJNGLKHVSA-N 316.942 5.082 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1cccc(Cl)c1Cl)C1CC1 2196852869 DVPFKUJLCOLXSO-XJKSGUPXSA-N 310.268 5.084 30 10 DKEE CCCCCCCCCCCCNCc1nc(Cl)cs1 2197072807 FQRXTQICNAQYAW-UHFFFAOYSA-N 316.942 5.807 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(F)cc1OC 2207358228 VBAMVFREXZIXQQ-OAHLLOKOSA-N 301.833 5.238 30 10 DKEE SC[C@@H](CSCCCCCCCC1CC1)C1CCC1 2231063662 FQPNDXPQXPUNGT-KRWDZBQOSA-N 300.577 5.816 30 10 DKEE C=CCCCCCCCCOCc1nc(Cl)ccc1Cl 2234040607 HARRZOYRGZUSCR-UHFFFAOYSA-N 316.272 5.822 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)CCC(F)(F)F 2268395119 UXAXJWFUKKAQSM-LJQANCHMSA-N 301.418 5.126 30 10 DKEE C=CCCCCCCCSc1nc(Cl)nc2c1CCC2 2287069531 QVZXJZKEAZFQQI-UHFFFAOYSA-N 310.894 5.237 30 10 DKEE C=C(C)CCCC[C@H](CSc1ccccc1Cl)NCC 2287413277 IRMWTWDWNWSZND-OAHLLOKOSA-N 311.922 5.547 30 10 DKEE C(=N[C@H](c1ccccc1)c1cccc2ccccc12)c1ccccc1 2297470845 VSYWKRJCCHEEMI-XMMPIXPASA-N 321.423 6.048 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H](C)c1cccc(OC2CC2)c1 2303238750 NMQCMTADTZTFGK-SFHVURJKSA-N 321.464 5.367 30 10 DKEE FC1(F)C[C@]1(CS)CSc1ccc(Cl)c(Cl)c1 2306940058 AJLCIXIJVLLGKZ-JTQLQIEISA-N 315.237 5.041 30 10 DKEE CCC[C@H](CS)COc1ccc(C(F)(F)F)cc1Cl 2340995072 PEYSZANQQBAPTH-VIFPVBQESA-N 312.784 5.084 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2353056403 IKHIPZZNCCNXKR-BLLLJJGKSA-N 300.273 5.555 30 10 DKEE C=CC[C@H]1CCC[C@@H]1NCc1cc(-c2cccs2)cs1 2362240168 OEUSVXYBXVUFLZ-BBRMVZONSA-N 303.496 5.311 30 10 DKEE N#CCCCCCn1c(-c2ccccc2)nc2cc(Cl)ccc21 43255796 WGSTWECRRXMEQU-UHFFFAOYSA-N 323.827 5.441 30 10 DKEE CCCCCCCCCOc1ccc(C[C@@H](C)N)cc1Cl 109765278 AFRPLGHGUIDKDC-OAHLLOKOSA-N 311.897 5.359 30 10 DKEE N#Cc1cc(F)c(Nc2c(Cl)cc(F)cc2Cl)c(F)c1 123440048 BHCLSQJBWNDKMB-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)Cc1ccccc1F 157250837 BNCVRAXKDURDPX-AWEZNQCLSA-N 301.430 5.147 30 10 DKEE CCCCCCC[C@H](O)c1cccc(Br)c1Cl 168214584 SMFHIBMQJZCTPL-ZDUSSCGKSA-N 319.670 5.496 30 10 DKEE CCN(CC)c1ccc(N=Cc2c(C)[nH]c3ccccc23)cc1 252460213 CQKLVJYDMLDRIW-UHFFFAOYSA-N 305.425 5.073 30 10 DKEE CC[C@@H]1CC[C@](C#N)([C@@H](C)c2ccc(Br)cc2)C1 310751690 IITSFAUKKQGMJN-ZENOOKHLSA-N 306.247 5.273 30 10 DKEE CCOc1ccccc1/C=C\C(=O)c1ccc(Cl)cc1Cl 606208030 LPRVXBPWNBDGQR-YFHOEESVSA-N 321.203 5.288 30 10 DKEE C=CCCC(C)(C)CN[C@H]1CCc2c(Br)cccc21 704004961 BDDJKUSCBCKFPD-INIZCTEOSA-N 322.290 5.018 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cccc(C(F)(F)F)c1F 710498435 ZIPQCTKOPWOAGV-GFCCVEGCSA-N 309.734 5.028 30 10 DKEE CCCCCCCCCCN=c1[nH]nc(C(CC)CC)s1 1859792625 KGHPOGLVFQEBMB-UHFFFAOYSA-N 311.539 5.416 30 10 DKEE C=C(c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 2020528551 OWKAURUUZJFQBC-JOCHJYFZSA-N 316.400 5.012 30 10 DKEE CC[C@H]1CC=C(C(=O)c2ccc(C)cc2Br)CC1 2061193675 AQVAYBIGNOHNFK-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE C=C1CCC(CC[C@H](NC)c2ccccc2Br)CC1 2113419513 HVYQHQLZBUQXKR-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H](O)c1cscc1Cl 2148604692 YYPAEIXNXWXUBR-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCNCc1cscc1C(F)(F)F 2151828884 AXWIRMSFNZOVEV-UHFFFAOYSA-N 307.425 5.607 30 10 DKEE C=CCCCCC[C@@H](N)c1cccc(SC(F)(F)F)c1 2154639973 PKRMSDHRPJOWOC-CQSZACIVSA-N 303.393 5.435 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cscc2C(F)(F)F)C1 2168518868 JWURNVUVBZLHNZ-AWEZNQCLSA-N 304.377 5.095 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)C1 2168549614 YLNFWTINAOAEQV-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE Cc1cc(Cl)cc(Cl)c1N[C@@H](CC#N)c1ccccc1 2201068267 FFDVBGKFOOVVNE-HNNXBMFYSA-N 305.208 5.369 30 10 DKEE CCCCCC#CC[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 2203806924 IMNREXVXMUBEEU-MRXNPFEDSA-N 316.247 5.280 30 10 DKEE SCC1(COCc2ccc(Cl)cc2Cl)CCCC1 2223387375 VTEWMFQRRLTADR-UHFFFAOYSA-N 305.270 5.000 30 10 DKEE C=CCCCCCCCC(=O)Cc1ccc(Cl)cc1Cl 2235527127 RVKFIEDJRQZHOY-UHFFFAOYSA-N 313.268 6.022 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1sc(Cl)cc1Br 2244975428 CGSZZSUKJRUOEF-GZMMTYOYSA-N 322.699 5.027 30 10 DKEE C=C(C)CCCCNc1cc(F)c(Br)cc1C 2250160573 AATDDEOOVMDKBN-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE C=CCC(CC=C)SCc1ccc(C)c(Br)c1 2298916715 OQXQFHIIAIKLML-UHFFFAOYSA-N 311.288 5.512 30 10 DKEE CC[C@@]1(C)CCSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340145103 ZJTPXOYIYXFOTR-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE CC1(C)CC(CS)(CSCC2CC(C(F)(F)F)C2)C1 2345010294 KTSNBZBIAQQTRV-UHFFFAOYSA-N 312.466 5.044 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2349849056 ZMCWAFIDGYOMKA-ZUZCIYMTSA-N 304.236 5.385 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1cccc(SC(F)(F)F)c1 2364002192 PQETVMZFXNGBMR-CQSZACIVSA-N 301.377 5.067 30 10 DKEE Cc1c(C[C@]2(C#N)CCCC(F)(F)C2)ccc(Cl)c1Cl 2364219516 NAOMTQWSUVSLLW-CQSZACIVSA-N 318.194 5.564 30 10 DKEE C=CCCCCCCNCc1cc(Cl)c(OC)c(Cl)c1 2365720852 ONHVEPCNMVBTFI-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1csc(C(F)F)c1 2370481452 DRBGNJMQBBDZKH-ZBFHGGJFSA-N 301.446 5.719 30 10 DKEE O=C(/C=C\c1cccs1)c1ccc2oc3ccccc3c2c1 33737842 AGODEURVKRJSFC-HJWRWDBZSA-N 304.370 5.544 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 37938205 WMHFOWVVEZSNAZ-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE CC(C)c1nc2ccc(Cl)cn2c1/N=N\c1ccccc1C#N 71592022 ATJMAHNTUXPAKL-DQRAZIAOSA-N 323.787 5.398 30 10 DKEE SCCCCCCOc1c(Cl)cc(Cl)cc1Cl 94582309 YORWEOPRHIJZGP-UHFFFAOYSA-N 313.677 5.516 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1ccc(Cl)c(Cl)c1 109945321 VKCFXVOQXRDKPF-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1cc(C)sc1C 115856424 BDLUFHLXWQOMJX-LJQANCHMSA-N 309.563 6.546 30 10 DKEE CCCCCCCCCC[C@@H](N)CSc1ccc(F)cc1 116705658 QBMOOTUPVHFRCE-QGZVFWFLSA-N 311.510 5.776 30 10 DKEE CCCCCCCCCC[C@H](N)CSc1ccccc1C 116740794 CUPWSUSGDXWZKY-SFHVURJKSA-N 307.547 5.945 30 10 DKEE CCCCCCCCC[C@H](O)Cc1cc(Cl)ccc1Cl 122999523 XVESLGFJGPQLAC-INIZCTEOSA-N 317.300 6.038 30 10 DKEE C=C(C)CC[C@@H](NC)c1ccc2cc(Br)ccc2c1 125803918 PDFGEMPFEAIHEQ-QGZVFWFLSA-N 318.258 5.219 30 10 DKEE CCCCCCCC[C@@H](NCC)c1snnc1C(C)(C)C 140318736 OUUAASWJPUHLSL-CQSZACIVSA-N 311.539 5.237 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cccc(C)c1Cl 162307707 QFFPEPMUITYNQW-SFHVURJKSA-N 309.925 6.440 30 10 DKEE CC(=NN(Cc1ccccc1)c1ccccc1)c1ccccc1 261172259 TYCJTLXHHNZHBZ-UHFFFAOYSA-N 300.405 5.117 30 10 DKEE CC[C@@H]1CC[C@@](C#N)([C@H](C)c2ccc(Br)cc2)C1 310751689 IITSFAUKKQGMJN-XJKCOSOUSA-N 306.247 5.273 30 10 DKEE C=C(C)C[C@H](NCCC)c1cccc(NC(=O)OC(C)(C)C)c1 406338552 GFVILPAUDUBBMV-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(NC(=O)OC(C)(C)C)cc1Cl 697295745 LZRASYDZIXYRJR-GFCCVEGCSA-N 324.852 5.454 30 10 DKEE Cc1ccc(C#N)c(Oc2cc(Cl)ccc2Br)c1 708117125 BOSDUQOMBSRZTB-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCC[C@@H](O)C[C@@H](C)COCc1ccccc1 719511690 XFIBPWFCKJEMNM-TZIWHRDSSA-N 320.517 5.731 30 10 DKEE Cc1ccc(/C(=N/OCc2cccc(Cl)c2)C2CC2)cc1C 821226218 DGIOKYBMTGCKEI-XUTLUUPISA-N 313.828 5.288 30 10 DKEE CN(N=Cc1ccc2cc3ccccc3cc2c1)c1ccccc1 1084016756 XFTOXYPQQVLXTA-UHFFFAOYSA-N 310.400 5.463 30 10 DKEE CCCCCCCCCCN=c1[nH]c2c(C)cc(C)cc2s1 1859792478 DYJGNHBZGISBDB-UHFFFAOYSA-N 318.530 5.888 30 10 DKEE C=CCCOc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 1860100125 MZVGCKVNHJLTNC-UHFFFAOYSA-N 323.436 5.191 30 10 DKEE CCCCCCCOc1cccc(NC(=O)CCCCCC)c1 1860129447 CVOGWHWXWSXUEA-UHFFFAOYSA-N 319.489 5.945 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc(N(C)C)c1 1865984757 GEVBYFINIMXDLF-UHFFFAOYSA-N 318.505 5.612 30 10 DKEE CCCCCOc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871399756 VEIRFTXKCRZRFO-MOSHPQCFSA-N 322.404 5.180 30 10 DKEE C=CCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 1893138982 KBOLXRCIXBLEQI-INIZCTEOSA-N 300.273 5.260 30 10 DKEE CCCCCCC[C@](C)(O)CCc1cc(Cl)cc(Cl)c1 1919904197 OITPZHNKACRFNM-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE C=C(COCc1ccccc1)[C@H](CC1=CCCCC1)NCCC 1922113998 YWPAFAQHXUPZCN-NRFANRHFSA-N 313.485 5.018 30 10 DKEE C=CCCCCCC[C@@H](COCc1ccccc1)NCCC 1934544681 KHXGPXOSVIMSLW-FQEVSTJZSA-N 303.490 5.098 30 10 DKEE Cc1cc(C)c(C#N)c(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)n1 1946843268 WVCGKMBFHBVWGD-KRWDZBQOSA-N 321.468 5.011 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1cscc1OCc1ccccc1 1958090280 IVRCMULAIULZSR-DNVCBOLYSA-N 315.482 5.190 30 10 DKEE C=CCCCCC[C@@H](NCC)C1CC(OCc2ccccc2)C1 1976703638 IMTQMIUWOCMFSX-XVAXZDLZSA-N 315.501 5.096 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@@H]1CCOC1 1990794118 SNHJRBHQIBMZBX-OAQYLSRUSA-N 317.517 5.418 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1ccc(C)c(C)c1 2070130422 GQPLIWVJUMBJOZ-QFIPXVFZSA-N 320.480 5.528 30 10 DKEE C#CC[C@H](C)C[C@@H](NCCC)c1scc(Cl)c1Cl 2076091502 JFDSJQBVLNVLFO-CMPLNLGQSA-N 304.286 5.145 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2116655156 BCNUTQSAMMXFGP-IUODEOHRSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1 2146761962 OPKFSSCJLZDNIN-CQSZACIVSA-N 307.787 5.719 30 10 DKEE CCCCCCCC[C@H](NC)[C@H](O)c1cc(Cl)sc1C 2154430641 BAOKTNIMXSWYDA-GOEBONIOSA-N 317.926 5.082 30 10 DKEE N#C[C@]1(Cc2cc(Cl)ccc2Cl)CCCCC12CCC2 2173618336 INUHMTFXBWKVGY-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc3sc(C)cc3s2)C1 2182171608 IWMBEVAYZWJTPR-CQSZACIVSA-N 305.512 5.668 30 10 DKEE C=C1CC(CNC(C)(C)C)(Cc2cc(Cl)cc(Cl)c2)C1 2197899011 XMWGZVVOGJPGBY-UHFFFAOYSA-N 312.284 5.260 30 10 DKEE C=C1CCC(CC(=O)c2ccc(-c3cccs3)s2)CC1 2205864647 LGWQOUBRTMOBTN-UHFFFAOYSA-N 302.464 5.796 30 10 DKEE C=CCCCCCCCC[C@H](O)[C@@H]1SCCS[C@@H]1CC 2207404999 QLGMQHQSZMEADO-BBWFWOEESA-N 316.576 5.281 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](N)c1ccc(Cl)c(Cl)c1 2207448246 ILQGEUVIGAPEGC-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1csc(Br)c1 2250162181 VZVIWSJKEWBNSC-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cccc(OCc2ccccc2)c1 2250183258 KVUTYSAMUNYLNR-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Br)c(F)cc1C 2259205499 NBCAVFWALIYFTR-HNNXBMFYSA-N 314.242 5.033 30 10 DKEE C=CCC[C@H](C)[C@H](OCCCN)c1cc(Cl)sc1Cl 2277118807 KVXDXCWYAVXVEV-GWCFXTLKSA-N 322.301 5.064 30 10 DKEE CCCCCCCC[C@H](OCCN)c1cc(Cl)sc1C 2293325796 PNOHEOQDQCMKPP-HNNXBMFYSA-N 317.926 5.477 30 10 DKEE O=C(C=Cc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 2294299887 HZRUTBMHYZCVBS-UHFFFAOYSA-N 302.348 5.389 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1sccc1Cl 2295678973 LJZFMPQRHZTNMH-HZPDHXFCSA-N 317.926 5.293 30 10 DKEE Cc1ccsc1C=CC(=O)c1cc2cc(Cl)ccc2o1 2295967878 GFYITFXJJPBHCH-UHFFFAOYSA-N 302.782 5.352 30 10 DKEE Cc1cccc2cc(C=CC(=O)c3cccs3)c(Cl)nc12 2297709525 VKCCDTHQSDYGFU-UHFFFAOYSA-N 313.809 5.154 30 10 DKEE C=C1CC([C@H](NCCC)c2cccc(OCc3ccccc3)c2)C1 2299515961 WJFSJFBEKVZFAI-JOCHJYFZSA-N 321.464 5.273 30 10 DKEE Cc1cc(Cl)cc(C)c1OC[C@@](C)(CS)C(C)(C)C 2352090298 LNCIUROEIIAJOW-INIZCTEOSA-N 300.895 5.318 30 10 DKEE C=CCCC[C@H](C)N[C@H](C)c1ccc(Cl)c(C)c1Cl 2353055650 YYQOPFMLGBGRSK-WCQYABFASA-N 300.273 5.697 30 10 DKEE C=CC[C@H](C)S[C@@H]1CCCCCC(F)(F)[C@H]1NCCC 2360332157 ZPCGBJYTMNHYAX-ZNMIVQPWSA-N 305.478 5.020 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 2366414371 KYSSSDRNQKQDQB-SNVBAGLBSA-N 315.215 5.698 30 10 DKEE Cc1ccc(/C=C2/CCC/C(=C/c3ccc(C)s3)C2=O)s1 35315768 CBTLOJPWSRXZDD-HYQBVQLESA-N 314.475 5.646 30 10 DKEE N#Cc1ccc(Cl)cc1N[C@H](c1ccc(Cl)cc1)C1CC1 37277890 VDRSAJYGBXOTHJ-KRWDZBQOSA-N 317.219 5.428 30 10 DKEE C[C@H]1Cc2ccccc2N(CCCCCCCCCS)C1 97799117 WFWGHQNTRGWNDF-KRWDZBQOSA-N 305.531 5.346 30 10 DKEE O=[N+]([O-])c1ccc(SCCCCCCCCCS)cc1 97800090 PEFCYZIAQOPENT-UHFFFAOYSA-N 313.488 5.347 30 10 DKEE CCCCCCCCCOc1ccc(CCCN)c(Cl)c1 106560320 MSRVIMXVWKKLFV-UHFFFAOYSA-N 311.897 5.361 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1cccc(Cl)c1 109720423 DDQONEBSDKVPLQ-LJQANCHMSA-N 309.925 6.521 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(OC)c(OC)c1 110916081 UPOOHYSDRAJJJP-HNNXBMFYSA-N 314.853 5.141 30 10 DKEE Cc1ccc(C#N)c(Nc2ccc(C(F)(F)F)cc2Cl)c1 111042503 WGLYHPDFMZOZGU-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCCCCCC[C@H](O)C(OCC)OCC 123544752 LTTGDSPXBBKYHR-KRWDZBQOSA-N 302.499 5.057 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NN 125927898 BCTVWTSRBAVKCZ-CQSZACIVSA-N 317.304 5.118 30 10 DKEE CC[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)c(Cl)c1 126265050 CVSMODWNBRBNBT-OAHLLOKOSA-N 323.198 5.567 30 10 DKEE CN1/C(=C\C(=O)c2ccccc2)Sc2c1ccc1ccccc21 143179790 AGDVACNDOSEIGO-CPNJWEJPSA-N 317.413 5.106 30 10 DKEE C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)c2ccsc2S1 216997213 CYJUESIKVIPYCT-XPTSAGLGSA-N 320.870 5.311 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)cc2c1OCC2 228472472 KOFDYPQVFIDQKW-QGZVFWFLSA-N 309.881 5.415 30 10 DKEE N#Cc1ccc(N[C@@H]2CCc3sc(Cl)cc32)c(Cl)c1 236086677 WSWHJYLKOKMHGT-LLVKDONJSA-N 309.221 5.026 30 10 DKEE CCN(CC)c1ccc(N=Cc2ccc3ccccc3c2)cc1 252460776 ICVRCDQTLZGJFY-UHFFFAOYSA-N 302.421 5.437 30 10 DKEE C=CCCCCCCN[C@H](C)c1cc(F)c(Cl)cc1Cl 312372293 CTSOELWPWBYEDO-GFCCVEGCSA-N 318.263 5.920 30 10 DKEE Cc1cc(C#N)ccc1Oc1cc(Cl)cc(Br)c1 698003529 QUVBEJBHOMSTJR-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCC(=O)CCc1cc(Cl)cc(Cl)c1 722127940 KVGNJLFMCCYSKL-UHFFFAOYSA-N 315.284 6.246 30 10 DKEE N#CCc1c(C(F)(F)F)ccc2cc(C(F)(F)F)sc12 725324704 RDAJUUDQLXCKTL-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE C=CCCSc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1860799310 KSESRZUCJYDDGT-UHFFFAOYSA-N 323.486 6.145 30 10 DKEE C=CCOc1ccccc1/C=C/C(=O)c1ccc(CCCC)cc1 1874573428 NMFCBTOPHMKWDB-FOCLMDBBSA-N 320.432 5.490 30 10 DKEE C=CCC(CC=C)[C@H](N)c1ccc(OCc2ccccc2)cc1 1901007416 GPOVRHPPQBHLMD-NRFANRHFSA-N 307.437 5.034 30 10 DKEE CC(C)C[C@@H](CS)CSc1cccc(Br)c1 1905524617 AUPUMEFINDBSRW-NSHDSACASA-N 319.333 5.133 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CCCC2)C1 1916403055 VDOCZODRTMRMAM-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(Cl)cc1C#N 1931999416 YUBPBPRMQUQGHO-HNNXBMFYSA-N 312.844 5.263 30 10 DKEE C=C(C)CCCN[C@@H](C)c1ccc(Br)cc1Cl 1940912936 IAJKGXVNUFDSSZ-NSHDSACASA-N 316.670 5.109 30 10 DKEE C(#CC1CCCCC1)CNc1ccccc1OCc1ccccc1 1944810545 KKLDABYXCARYOO-UHFFFAOYSA-N 319.448 5.261 30 10 DKEE CC=C(C)C(=O)C[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1983434173 IYKPLFQIHRRICB-AWEZNQCLSA-N 317.429 5.063 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cccc(Br)c1C 2040533882 NTPSIYMCIIWMSH-WBMJQRKESA-N 310.279 5.010 30 10 DKEE N#C[C@@]1(Cc2ccc(Br)s2)CCCCC12CCC2 2053369517 ZQMHUCGWBXGHLN-HNNXBMFYSA-N 324.287 5.307 30 10 DKEE CCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(F)F 2060222039 HKIUFAPWLGOGQQ-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE CCCCCC#CCNc1ccc(CC)cc1Br 2083402723 FCZFZEVDERARDF-UHFFFAOYSA-N 308.263 5.007 30 10 DKEE CCCCCCC[C@](C)(O)C(=O)c1cc(Cl)sc1C 2098159551 QPJPNMGQDRSBOY-HNNXBMFYSA-N 302.867 5.004 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(Cl)sc1C 2098228481 SMJQTTXPGIXCOA-OAHLLOKOSA-N 301.927 6.111 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc(C)ccc2Br)CCC1 2111710364 FCLOSGVFCDODJK-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cc(Cl)ccc1Cl 2141915389 AXWLEHOBXMFUCQ-MRXNPFEDSA-N 301.257 5.728 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146760511 ZKBHUPAEQKXDSE-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCCC[C@@H](NC)[C@@H](O)c1cc(C)c(Cl)s1 2165432820 RNIOWYWTAXIHTN-UKRRQHHQSA-N 317.926 5.082 30 10 DKEE CCCCCCCCCCCCNCCCP(C)(C)=O 2177185914 BPHXMXVIGTWBPG-UHFFFAOYSA-N 303.471 5.510 30 10 DKEE C=C(c1ccccc1)[C@H](NCCC)c1scc(C)c1Cl 2197140969 YYSMUIBPVGNYKK-INIZCTEOSA-N 305.874 5.464 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cc2sccc2s1 2203807374 MRECFDJYIPKNLP-CQSZACIVSA-N 305.512 5.587 30 10 DKEE CCCCCCCCCOC[C@@H](N)c1ccc(Cl)s1 2230980885 HPRNZSVZVQUUOT-CYBMUJFWSA-N 303.899 5.169 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCC1)c1cccc(Cl)c1Cl 2235757418 LLTMWSKEDXLLKF-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)c(CN)s1 2239493077 PINUPWTXLVCPEY-UHFFFAOYSA-N 318.914 5.165 30 10 DKEE Cc1cccc(Br)c1OCCCCCCCS 2252619583 VSKCGWHRLKRORS-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE Cc1cc(Br)c(F)c(CC=CC#CC(C)(C)C)c1 2256702371 MNVAEQHECNEJRT-UHFFFAOYSA-N 309.222 5.045 30 10 DKEE CC(C)c1cc(Br)cc(C(=O)C2=C[C@H]3CC[C@H]2C3)c1 2266019186 UJJQLEVOIOQQSK-RYUDHWBXSA-N 319.242 5.112 30 10 DKEE CC1(C)CCC[C@H](Nc2c(Br)cccc2C#N)CC1 2269699367 HLYNBBJFWPIPOZ-ZDUSSCGKSA-N 321.262 5.092 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(Br)c1C 2321144475 IGNOHHIZLGBBIG-HOTGVXAUSA-N 310.279 5.010 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2324128247 UOFVSQSLDBQHIR-UHFFFAOYSA-N 314.384 5.301 30 10 DKEE Cc1c(COCC2(CS)CCCC2)ccc(Cl)c1Cl 2339424790 ZNHRIGBCSRZKQR-UHFFFAOYSA-N 319.297 5.309 30 10 DKEE C=C(C)CCCC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2340793752 IJLSXPJACPGGAM-AWEZNQCLSA-N 304.236 5.530 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(F)c(Cl)c1 2360199976 DDBQOZSEIDIAFI-WBMJQRKESA-N 315.885 5.218 30 10 DKEE CCCCCCCC[C@](C)(O)c1c(F)ccc(C)c1Cl 2360529876 CLSOYLGRKBMFAC-KRWDZBQOSA-N 300.845 5.746 30 10 DKEE CCCN[C@@H](C#Cc1cccs1)c1cc2cscc2s1 2363550132 CXRPUWSWZRRBMU-AWEZNQCLSA-N 317.504 5.117 30 10 DKEE Cc1c(C[C@@]2(C=O)CCCC23CCC3)ccc(Cl)c1Cl 2364019212 SZZMAQFIOZCJTI-QGZVFWFLSA-N 311.252 5.384 30 10 DKEE CCC[C@@H](Nc1cccc(F)c1C#N)c1ccc(Cl)cc1 36138432 ZVYKCDUIKMBPHF-MRXNPFEDSA-N 302.780 5.304 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)c(C)c1 83192949 IUIGXJSMMGVJKP-FMIVXFBMSA-N 324.420 5.077 30 10 DKEE SC[C@@H](COc1ccc(Cl)cc1Cl)c1ccccc1 94582987 RDMQVLYQMIFTDD-GFCCVEGCSA-N 313.249 5.086 30 10 DKEE CCC1(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)CCCC1 94902636 LUQZHABAOBIVKX-NSHDSACASA-N 310.224 5.140 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccc(Cl)cc1F 112900703 CKXGTCDUAGNDGW-GOSISDBHSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccc(F)cc1Cl 126103407 GZIAUBSBHXDIOS-KRWDZBQOSA-N 314.876 5.514 30 10 DKEE CC(C)(C)c1ccc([C@@H](C#N)Nc2ccc(Cl)cc2)s1 166122771 PGLRQWAQGNSTSR-CYBMUJFWSA-N 304.846 5.376 30 10 DKEE CCCCCCCC[C@H](O)c1cc(C)ccc1Br 168363662 HKUNHBHNGKEQDM-INIZCTEOSA-N 313.279 5.542 30 10 DKEE CCCCCCCCC(=O)c1cscc1Br 229193019 NLZCFDODIBAJTG-UHFFFAOYSA-N 303.265 5.444 30 10 DKEE CC1(C)CCC[C@H](Nc2cc(Br)ccc2C#N)CC1 232809416 NFQBFYFHCLHCJC-AWEZNQCLSA-N 321.262 5.092 30 10 DKEE N#Cc1ccnc(Sc2ccc(Cl)c(Cl)c2)c1Cl 236060561 QXIUHJUCWRAUEA-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE C=C/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254525450 YDAROTPQYHWCPB-OWMIUMLUSA-N 310.481 5.631 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(Cl)cc1Cl 395329101 XZSQPUJOGNKCPE-LBPRGKRZSA-N 300.273 5.116 30 10 DKEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)c(Cl)c1 695769979 MURQSEXCSSUUAW-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@]1(C#N)CCCCC1(C)C 698891895 OEWYVWGSLPMWBL-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CC(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698915497 MECQOXGRXMIEGQ-KRWDZBQOSA-N 322.836 5.020 30 10 DKEE C=CCSc1ccc([C@@H](C)NCCC)c(C(F)(F)F)c1 705550489 AWVQTPKUQKEPHS-LLVKDONJSA-N 303.393 5.044 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 710698684 VKBYWXSXCSJKCM-ZDUSSCGKSA-N 309.734 5.028 30 10 DKEE C=C1CCC(CNCc2ccccc2OCc2ccccc2)CC1 724571736 UHIKEADXQHXFAW-UHFFFAOYSA-N 321.464 5.102 30 10 DKEE FC(F)Oc1c(C(F)F)ccc2cc(C(F)(F)F)sc12 725292769 NUDNHYLGRWFNES-UHFFFAOYSA-N 318.213 5.459 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccccc1[C@H](C)NCCC 1914960577 DPQWHGKPJCPJMJ-IBGZPJMESA-N 322.496 5.330 30 10 DKEE C=C([C@@H](NCCC)C(CC)(CC)C(F)(F)F)[Si](C)(C)C 1922875430 QFJUWSUJJFPSMP-CYBMUJFWSA-N 309.492 5.157 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@H](CS)CC1CC1)C(C)(C)C 1961122409 FVYNMTBSRHLIQT-VQIMIIECSA-N 319.558 5.269 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cc(Cl)c(C)c(Br)c1 2002251236 PGJCAYZQQLDPGQ-SECBINFHSA-N 315.638 5.196 30 10 DKEE CC[C@](C#N)(Cc1ccc(Br)cc1Cl)C(C)C 2012412772 PTQKENPCZLYILI-CQSZACIVSA-N 314.654 5.221 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cccc(F)c1Br 2045997924 OFDHOJPLAIYIEP-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C=O)CCCC(C)(C)C1 2112214249 KCAUWAMBCYQNDE-QGZVFWFLSA-N 323.274 5.086 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1F 2139416535 UWZYEOJKWSVAHV-ZWNOBZJWSA-N 304.236 5.385 30 10 DKEE C=CCCCCCCCCN(C)Cc1cc(Cl)ns1 2142395943 ZPRGVNWVHFRTQU-UHFFFAOYSA-N 300.899 5.145 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164195861 KIAABPIKROPHIJ-OAHLLOKOSA-N 305.512 5.874 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(C(F)(F)F)cc1Cl 2179255404 WGASNLHZTBEZEH-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE C=CCCCC[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2179704580 VABQTHNBTQOLTC-HNNXBMFYSA-N 306.858 5.848 30 10 DKEE CCCCCCCCCCCC[C@@H](CCSCC)NN 2182297850 IFNLWTILFMNRHM-KRWDZBQOSA-N 302.572 5.273 30 10 DKEE C=CCCCCCC[C@H](O)Cc1cc(Cl)ccc1Cl 2225665210 BTDVUEOFPWAMHW-HNNXBMFYSA-N 301.257 5.423 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)cc(Cl)c1 2231922756 FSFHXKYTYDSQKR-ZDUSSCGKSA-N 302.289 6.544 30 10 DKEE N#C[C@@H](C(=O)c1ccccc1Cl)c1cc(Cl)ccc1Cl 2234055125 ADECHSYTNHZDSX-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE CCCCCCCCCCCCCCO[C@H](C)C(N)=S 2239550542 WEQFLIPHSIEOHF-MRXNPFEDSA-N 301.540 5.379 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(Cl)ccc1Br 2250159334 PRHNAVMTPZNWLZ-CQSZACIVSA-N 317.654 5.272 30 10 DKEE C=CCCCCCCCSC[C@@H](O)c1ccc(Cl)cc1 2287100100 DXRIKWUFNQPPSX-QGZVFWFLSA-N 312.906 5.633 30 10 DKEE COc1ccccc1C(=O)C=Cc1ccc(-c2ccccc2)cc1 2294299885 CPBZAMNHJOBFJL-UHFFFAOYSA-N 314.384 5.258 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1sc(C)c(C)c1Br 2304077573 AKPKRHZOTBYUQT-CQSZACIVSA-N 315.276 5.303 30 10 DKEE C=CC[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2341152431 NVKLLEJDMUHUAX-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cccc(Br)c1 2344395169 ICNQLQHFEILQSI-IRXDYDNUSA-N 324.306 5.482 30 10 DKEE Cc1ccc(/C=C2/CCC/C(=C\c3ccc(C)s3)C2=O)s1 3329698 CBTLOJPWSRXZDD-YCRUPXPOSA-N 314.475 5.646 30 10 DKEE C=CC[C@@H](O)[C@](CC=C)(c1ccccc1)c1ccc(Cl)cc1 6317520 PYLWLXGQIJJCNM-WOJBJXKFSA-N 312.840 5.139 30 10 DKEE Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc(F)cc3)o2)cc1 33921928 RHUNIWGGNHKPIY-BENRWUELSA-N 306.336 5.290 30 10 DKEE CC(C)CCN(CC1(CS)CCCCCC1)C1CCCC1 94853862 IRFADKRKASWAMJ-UHFFFAOYSA-N 311.579 5.548 30 10 DKEE CCCCCCCCCCNC(=O)/C=C/c1ccccc1Cl 106533881 UDWAWFMRLFNZCS-CCEZHUSRSA-N 321.892 5.610 30 10 DKEE CCCCCCCCCCCCn1cc(Cl)c([N+](=O)[O-])n1 112216324 IRNJZOLAYNRMQY-UHFFFAOYSA-N 315.845 5.366 30 10 DKEE CCCCCCCCC[C@H](O)CSc1ccc(Cl)cc1 117535151 ZBHKKVOKKICNOK-INIZCTEOSA-N 314.922 5.934 30 10 DKEE N#CC[C@@H](Nc1c(Cl)cc(F)cc1Cl)c1ccccc1 123336142 RKKMHBWKNINQBY-CQSZACIVSA-N 309.171 5.199 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1sc(C)cc1C 164721567 XESYKUUHACQBJA-SFHVURJKSA-N 309.563 6.546 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl 236054905 WMZISNOLXYKVGO-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(Br)cc1Cl 236315794 SKFXURLBAFYYKN-CQSZACIVSA-N 316.670 5.239 30 10 DKEE C/C(C=Nc1ccc(OC(F)(F)F)cc1)=C\c1ccccc1 606347528 KQXRUPBQVGIXBR-CJANTZLASA-N 305.299 5.391 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)cc(F)c1F 690986516 MVEWQSJAPCQNTJ-HNNXBMFYSA-N 303.824 5.629 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1 692240646 QFLYSXNRLCXGNE-AHIWAGSCSA-N 312.284 5.779 30 10 DKEE Cc1c(Cl)cccc1Oc1ccc(C#N)cc1Br 702656514 YEXCCNOJDQPBDS-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCOc1cc(Cl)ccc1Br 708120868 DCQSTTAVONRUGP-UHFFFAOYSA-N 319.670 5.842 30 10 DKEE CCCCCCCCC[C@H](N)C[C@H](C)COCc1ccccc1 719137583 VDACTPCPABUBHY-FPOVZHCZSA-N 319.533 5.697 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1cccc(Cl)c1 1857938499 ZHPXESMOTJDJOE-KGENOOAVSA-N 315.844 5.578 30 10 DKEE CCCCCCC[C@H](N)c1csc(C)c1Br 1902877591 XYWLUEXAJZADOI-LBPRGKRZSA-N 304.297 5.179 30 10 DKEE CCCCCCC[S@](=N)(=O)c1cc(Cl)ccc1Cl 1917918433 PHEFMUGFJYOISV-SFHVURJKSA-N 308.274 5.369 30 10 DKEE C=C(CC)C[C@H](N)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925609024 FPWJDXCJNUYPJK-INIZCTEOSA-N 318.461 5.007 30 10 DKEE N#CC1(COc2cccc(OCc3ccccc3)c2)CCCCC1 2001540266 KAZOVGQQTVPCSA-UHFFFAOYSA-N 321.420 5.118 30 10 DKEE CCCCCCCNc1cc(Br)c(Cl)cc1F 2003198034 BAFWJBVOKBFHIP-UHFFFAOYSA-N 322.649 5.624 30 10 DKEE CCCCCCCC[C@](C)(N)c1cscc1Br 2013603721 YFRZDVQUAMTEBB-AWEZNQCLSA-N 318.324 5.435 30 10 DKEE C=CCCCCCCOc1cc(F)cc(Br)c1 2026017617 QMIANOYQWSRUFA-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE CC(C)(C)c1ccc(-n2cc(C#N)c(C3CCCCC3)n2)cc1 2080320744 OXGSITMZCAOLON-UHFFFAOYSA-N 307.441 5.089 30 10 DKEE CCCCCCC[C@@](C)(O)c1cccc(Br)c1C 2083305341 HTTNORDQGGJPPL-MRXNPFEDSA-N 313.279 5.326 30 10 DKEE C=C(C)CC[C@H](C)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2096543710 YZYBTLZAXWKKST-VIFPVBQESA-N 303.189 5.058 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(Cl)sc1C 2098164619 IFNPLDODAFAJOB-OAHLLOKOSA-N 302.911 6.274 30 10 DKEE C=C([C@H](NCC)c1cc2sc(C)cc2s1)[Si](C)(C)C 2100324500 JHRGLYYZZWZZOR-HNNXBMFYSA-N 309.576 5.355 30 10 DKEE C=C1CCC(n2c(S)nc3cc(Cl)c(Cl)cc32)CC1 2101165105 HBCAVRHFBDSKMG-UHFFFAOYSA-N 313.253 5.303 30 10 DKEE CCCCCC#CCNc1cc(Cl)c(F)c(Cl)c1F 2138957414 WDHMVSMXCCLIMF-UHFFFAOYSA-N 306.183 5.267 30 10 DKEE CCCCCC#CCC[C@@H](NC)c1ccc(Br)cc1 2138995381 YEENNAQHJCDIOW-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](O)c1ccsc1Cl 2147146504 UJQDOESDSOLZSM-HNNXBMFYSA-N 316.894 5.535 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1sccc1Cl 2148591161 WSHCZQJBFPFNTH-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203962584 QPLYATGOCSDWJJ-IAQYHMDHSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@H]1SCCS[C@@H]1CC 2207438658 UGITWSLDSFHOTF-GVDBMIGSSA-N 315.592 5.248 30 10 DKEE C=CCCCCCCCCC[C@H](NN)c1sccc1Cl 2207442872 UYKAVJFZGZZHON-HNNXBMFYSA-N 314.926 5.603 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1scc(Br)c1C 2213769642 ZBUZTYWGGBFROW-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=CCCCCCCC[C@@H](O)c1sccc1Br 2214612425 BVOXNNGKJQARGW-CYBMUJFWSA-N 317.292 5.461 30 10 DKEE CCC#C[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2218433404 WHGMDSIBISQBPX-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE CCCCCCCCCCCCOCC(C)(C)C(N)=S 2239550244 VFAYIXASZCODHO-UHFFFAOYSA-N 301.540 5.236 30 10 DKEE CCCCCCCC[C@](C)(N)c1csc(C(F)(F)F)n1 2240620748 YCTQGFBYDCNXOM-ZDUSSCGKSA-N 308.413 5.086 30 10 DKEE C=CCCCCCCCSc1nc(Br)cs1 2244564779 VBFMCNGTHBUCLF-UHFFFAOYSA-N 320.321 5.524 30 10 DKEE C=C(C)CCCCNc1ccc(Br)c(F)c1C 2250184424 AFWDDMUROMZJEQ-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE Cc1cc(Cl)c(Cl)cc1N[C@@H](CC#N)c1ccccc1 2281493319 BFAZFZFDLWIJNX-HNNXBMFYSA-N 305.208 5.369 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(Cl)c(OC)cc1Cl 2281522392 IQBXYQANXCGPDZ-MEDUHNTESA-N 316.272 5.255 30 10 DKEE CC(C)(C)C#CC=CCC(=O)Cc1cc(Cl)ccc1Cl 2284080442 IBQQMHLPAHPWCN-UHFFFAOYSA-N 309.236 5.101 30 10 DKEE FC1(F)C[C@@]1(CS)CSc1cc(Cl)ccc1Cl 2306940903 KXPYBGNNLAXMNA-SNVBAGLBSA-N 315.237 5.041 30 10 DKEE CC#CCCCC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2366405061 LOQNKWOSYAHLSZ-HNNXBMFYSA-N 316.247 5.367 30 10 DKEE CSc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N 7276697 OMAXKNBHJYCZOX-UHFFFAOYSA-N 320.392 5.148 30 10 DKEE CCCCCCCCNc1cc(Br)ccc1F 59325207 BYCSRHYLRYHUCA-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 83194126 HQYNFFSQQUFRIU-JLHYYAGUSA-N 320.432 5.250 30 10 DKEE SCCCCCOc1ccc(-c2ccccc2)cc1Cl 94582638 HLRHAMVAZWDKFO-UHFFFAOYSA-N 306.858 5.486 30 10 DKEE SCC1(CSc2ccc3ccccc3c2)CCCCCC1 94589277 XSHSCUSIFDYPST-UHFFFAOYSA-N 316.535 6.202 30 10 DKEE CCCCCCCCCCCC[C@H](NN)c1ccc(C)s1 122713811 IJFDXZLQNZBTPN-KRWDZBQOSA-N 310.551 5.872 30 10 DKEE CCCCCCCSc1ccc(N)cc1Br 126290340 MVRQPGJZCJZCAZ-UHFFFAOYSA-N 302.281 5.094 30 10 DKEE CCCCCCCCC[C@@H](O)c1nc(Br)cs1 232952305 SNFKSPYSZREQRL-LLVKDONJSA-N 320.296 5.080 30 10 DKEE Cc1ccc(Nc2ccc(Br)cc2Cl)c(C#N)c1 235912058 POBUYNBXSHROOI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCCC(=O)c1cc(Cl)cc(Br)c1 236032184 UHOMMFFSVTUHFF-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE CCCCCCCNC[C@H](c1ccc(C)cc1)N1CCCCC1 257628501 DHBMYLLGMUQEAN-OAQYLSRUSA-N 316.533 5.082 30 10 DKEE N#Cc1c(F)cccc1Oc1ccc(OCc2ccccc2)cc1 304300332 CKHZJWOQUAOBPS-UHFFFAOYSA-N 319.335 5.069 30 10 DKEE CCCCCCCCCCNC(=O)c1cccc2cc[nH]c12 316220401 CEKUDEPFDFHPAK-UHFFFAOYSA-N 300.446 5.038 30 10 DKEE C[C@H]1CC=C(C(=O)c2cccc(Cl)c2C(F)(F)F)CC1 380981926 GDIDQIMUOOPRIP-VIFPVBQESA-N 302.723 5.288 30 10 DKEE C=CCCC[C@@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1 398150074 DEEBMYXCHSWWBM-MLGOLLRUSA-N 300.273 5.779 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2ccc(Cl)cc21 692191910 VFLHMQQOCWKRJM-FZMZJTMJSA-N 306.862 5.286 30 10 DKEE C=CC(C)(C)CCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 701918614 INDVMANTMDEZNX-SFHVURJKSA-N 323.480 5.519 30 10 DKEE Clc1cc(Cl)cc(C#Cc2ccc(Cl)cc2Cl)c1 1614730738 FDOHLRBUASOBEP-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE Cc1cc(C)cc(C#Cc2cc(C(F)(F)F)ccc2Cl)c1 1614826974 WVNKTPLNRJWHAH-UHFFFAOYSA-N 308.730 5.375 30 10 DKEE CC(C)(C)C1CCC(=NOC(=O)Nc2cccc(Cl)c2)CC1 1860464405 BOUTUFJGRONNRU-UHFFFAOYSA-N 322.836 5.481 30 10 DKEE C=CCC(CC=C)[C@H](O)c1ccc(OCc2ccccc2)cc1 1901007691 HPJLIRNRQJXTMS-NRFANRHFSA-N 308.421 5.067 30 10 DKEE CC[C@@H](CS)CN(Cc1ccccc1)[C@H](C)c1cccs1 1915087100 QOZIMTHNJIOMSL-HZPDHXFCSA-N 319.539 5.267 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1F 1920212296 NSLRCXNZEPTQKT-INIZCTEOSA-N 320.279 6.057 30 10 DKEE C[C@@H]1CCC[C@@]1(C#N)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1921094417 LUIWGCMDMHDPAK-ULOPGQLASA-N 318.631 5.010 30 10 DKEE C=CCC[C@@H](NCCC)c1c(C)sc(C)c1Br 1948481086 SKSMAOXBAFZIFH-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=C(Br)CCNc1cc(Cl)c(C)cc1Cl 1959681025 ISUBJVDKUAULCD-UHFFFAOYSA-N 309.034 5.012 30 10 DKEE CCCCCCCCC[C@H](N)c1ccnn1Cc1ccccc1 1994401880 RIKFRYAKPAYYCV-IBGZPJMESA-N 313.489 5.072 30 10 DKEE Cc1c(Cl)cc(CC2(C#N)CCCC2)cc1Br 2002339305 JDKUBPCKPYSHEA-UHFFFAOYSA-N 312.638 5.037 30 10 DKEE C=CCCCC[C@H](N)c1cc(Cl)c(C)c(Br)c1 2009484138 ITPDYOIOMVODPX-AWEZNQCLSA-N 316.670 5.157 30 10 DKEE C=C(C(=O)c1c(Br)sc(C)c1C)c1ccccc1 2076582487 LBUSSWQLTSZZSE-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(C(F)(F)F)cs1 2161220614 PJGUWWAMHDPWNC-CYBMUJFWSA-N 307.425 5.907 30 10 DKEE C=C(C)CC[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164168548 NIIDIPUTHRXOTF-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE CCCCCCCCN(C)CC(C(F)(F)F)C(F)(F)F 2195482455 FAEKBHDVMYYFKC-UHFFFAOYSA-N 307.322 5.020 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(Cl)c(OC)cc1Cl 2266796182 SWYISKCYIVWGQQ-CQSZACIVSA-N 302.245 5.009 30 10 DKEE O=C(C=CNc1cc(Cl)ccc1O)c1ccc2ccccc2c1 2297329684 ZVALSUDOXITCIZ-UHFFFAOYSA-N 323.779 5.007 30 10 DKEE CCCCCCC=CCCCCCCCCCCCC(=O)O 2297615516 URXZXNYJPAJJOQ-UHFFFAOYSA-N 310.522 6.889 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1c(Cl)cccc1Br 2304123638 XEPGMWMBAHUWLG-ZIAGYGMSSA-N 317.654 5.128 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(Br)ccc1C 2344344074 GXQXVLOJZASOAG-DLBZAZTESA-N 324.306 5.401 30 10 DKEE CCc1ccc(C#N)c(OCc2cccc(Cl)c2Cl)c1 2364753396 JTOQIFNLVPQLJZ-UHFFFAOYSA-N 306.192 5.006 30 10 DKEE CCCCCCCCN(C)Cc1cc(F)c(Cl)cc1Cl 2377281387 BBSCWNBUIPGAGH-UHFFFAOYSA-N 320.279 5.925 30 10 DKEE N#Cc1cc(N[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1Cl 37282089 AIPDFHKXVPLZFA-QGZVFWFLSA-N 317.219 5.428 30 10 DKEE CCCCCCCCN[C@H](C)c1ccccc1OCCOCC 100048594 NREXKKXWPNJJQH-GOSISDBHSA-N 321.505 5.113 30 10 DKEE CCCCCCCCCC[C@H](O)CC[C@H](O)Cc1ccccc1 100293296 WYVJMQCITBRSFF-SFTDATJTSA-N 320.517 5.262 30 10 DKEE O/N=C(/CCCCCC/C(=N\O)c1ccccc1)c1ccccc1 103882570 BEFLIAHHHDUGST-OLAQIDGISA-N 324.424 5.084 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)c(C(F)(F)F)c1 110162657 UIHYGXPUYMYAAL-IINYFYTJSA-N 316.754 5.243 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(Cl)c(F)c1 115653148 LUMYJDTUZIGFDK-QGZVFWFLSA-N 300.845 6.043 30 10 DKEE CCCCCCCC[C@@H](O)CSc1ccc(Cl)cc1 116835879 ZTZSOTQPFHLQLU-OAHLLOKOSA-N 300.895 5.544 30 10 DKEE C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1ccc(C#N)s1 134655034 BFVHRRGFPKGVGX-MNOVXSKESA-N 324.371 5.050 30 10 DKEE N#CC1(Cc2cccc(F)c2Br)CCCCCCC1 157847407 SAKOGACXWWEOOR-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE N#CC1(Cc2cccc(Br)c2)CCCCCCC1 158874554 PSRBGPADAIBYSQ-UHFFFAOYSA-N 306.247 5.246 30 10 DKEE CCSc1cccc(Nc2cccc(C)c2Cl)c1C#N 312251616 KKNCTJVAWLHCHA-UHFFFAOYSA-N 302.830 5.376 30 10 DKEE CCCCCCCCC[S@](=O)Cc1cccc2ccccc12 526856842 RISSSDABYDGNQC-QFIPXVFZSA-N 316.510 5.839 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCC(C)(C)C 698483269 JDZLJFXKHUAGAT-RDTXWAMCSA-N 310.482 5.131 30 10 DKEE CC/C(=N\OCCOc1ccc(C(C)C)cc1)c1ccccc1 821216798 CFXXLJPGBLNEHH-QZQOTICOSA-N 311.425 5.020 30 10 DKEE N#Cc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl 1848373061 ZRVLFNLIYBDXNW-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC(C)c1ccc([C@@H](C(=O)Nc2ccccc2C#N)C(C)C)cc1 1868178936 KHIWXNVYTXPEPW-FQEVSTJZSA-N 320.436 5.060 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccccc1C#N 1915367060 HBTTVASCNZYMNS-INIZCTEOSA-N 318.445 5.388 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCCCCCC)NCC 1922054623 LGUFLJQMKXRHGR-HXUWFJFHSA-N 303.490 5.098 30 10 DKEE C=C(COCc1ccccc1)[C@]1(O)CCC[C@@H](C(C)(C)C)CC1 1922116123 NNTAPBMWEHSHOB-CTNGQTDRSA-N 316.485 5.117 30 10 DKEE CC(C)[C@@H](CS)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1931998067 HACDADWCABADMD-FUHWJXTLSA-N 307.547 5.125 30 10 DKEE SC[C@H](CSc1ccc(Cl)cc1Cl)C1CCC1 1942145120 CQBRLDODFKCOTN-SNVBAGLBSA-N 307.311 5.432 30 10 DKEE CCCCCCC[C@@]1(O)CCN(Cc2ccccc2)C(C)(C)C1 1992888124 NGRFIVRWJOTDAG-OAQYLSRUSA-N 317.517 5.153 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1csc(Br)c1 1996468901 FSHAUJVAYRUCQF-BXUZGUMPSA-N 316.308 5.154 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(Br)sc1C 2009483246 ZFNCPNLIGJCFIW-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=C(C[C@H](NCC)c1ccccc1Br)C(C)(C)C 2050519957 UULKJXLJGWSVLD-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE CCCCCCCCCCNCc1nccc(Cl)c1F 2154332368 FOFBPLYUZRDDHN-UHFFFAOYSA-N 300.849 5.104 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1cccc(SC(F)(F)F)c1 2164078219 MILIWQZXZWLWCF-FZMZJTMJSA-N 303.393 5.161 30 10 DKEE C#C[C@@H](N[C@@H](CC)c1ccc(Cl)c(Cl)c1)C1CCCC1 2204043361 HCIMCLPYLNNZNW-SJORKVTESA-N 310.268 5.226 30 10 DKEE C=CCCCCCCC[C@H](O)c1csc(C(F)(F)F)c1 2235535142 MRSXBIRMRVZZRC-ZDUSSCGKSA-N 306.393 5.717 30 10 DKEE C=C[C@@H](CCCCC)OC[C@H](N)c1c(Cl)cccc1Cl 2239490719 UCOYOUHIHXJLSZ-WFASDCNBSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 2244638127 ARKYIMPQMKXQLF-UHFFFAOYSA-N 317.429 5.353 30 10 DKEE CCC#C[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265969412 NVZLPRLUOBFULY-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc(C(F)F)cs1 2287374081 BIVQVJPQUHAZHS-AWEZNQCLSA-N 301.446 5.863 30 10 DKEE C=CCC(CC=C)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 2301067178 XIZLRDGYJCDJNP-JOCHJYFZSA-N 322.448 5.242 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSCCCCCCC1CC1 2352100834 UWAXBLMDSAWIOJ-KRWDZBQOSA-N 302.593 6.062 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1csc(Cl)c1OC 2364091675 GUPJIVAHWMNYRX-AWEZNQCLSA-N 313.894 5.219 30 10 DKEE CCCCCCCCCC[C@H](O)c1c(F)ccnc1Cl 2370986512 GJTCCHWMTUQCJZ-AWEZNQCLSA-N 301.833 5.438 30 10 DKEE CCCCC#CC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2377333520 YVVZAENHXLZCDV-MRXNPFEDSA-N 316.247 5.367 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(Cl)cc1Cl 37938265 LFMILTZRWJFKEU-CQSZACIVSA-N 311.599 5.324 30 10 DKEE CCCCCOc1ccc(C(=O)/C=C/c2ccccc2OC)cc1 83204795 LOAYTJYWAFTCDS-NTCAYCPXSA-N 324.420 5.160 30 10 DKEE N#Cc1c(Cl)cccc1Oc1ccc(Cl)c2ccccc12 110262725 DYTYTFCYNPBRCW-UHFFFAOYSA-N 314.171 5.811 30 10 DKEE CCCCCCCCCC[C@@H](CSCC(C)C)NCCC 115645465 NTQZXONRIGBRQI-IBGZPJMESA-N 315.611 6.275 30 10 DKEE CCCCCCCCCC[C@@H](N)CSc1cccc(F)c1 116703361 XHKSORTYMDSMGU-QGZVFWFLSA-N 311.510 5.776 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(Cl)s1)NCC 160957389 SZFDLTZRVWDZBK-AWEZNQCLSA-N 301.927 5.673 30 10 DKEE CCCCCCCC[C@H]1CCC(C)(C)[C@]1(S)c1ccccc1 205463093 FORANBFRCHPDFY-FPOVZHCZSA-N 318.570 6.999 30 10 DKEE CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/N(c1ccccc1)c1ccccc1 222060534 AYCMWGUFJHWNFO-BGWGFDHBSA-N 316.448 5.803 30 10 DKEE CCCC(CS)(CCC)CSCc1ccccc1Cl 232903449 PKWDAUKCOMVLFP-UHFFFAOYSA-N 316.963 6.090 30 10 DKEE C[C@@H](c1ccc(Br)cc1)C1(C#N)CCC(C)(C)CC1 394054791 ZPZKRHZVMQKGTR-ZDUSSCGKSA-N 320.274 5.663 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 398154411 FUZJZAPMNHENKZ-MNOVXSKESA-N 304.236 5.528 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@](C#N)(CCC(C)C)C1CC1 698382332 XVBMEPYIUQDWNY-DNVCBOLYSA-N 322.493 5.131 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc2ccccc12 698843755 XSLNADFGQRMDOW-GOSISDBHSA-N 324.424 5.052 30 10 DKEE CCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698852720 RUWJSXOEUFKIAL-OAHLLOKOSA-N 322.836 5.164 30 10 DKEE Cc1cc(Br)c(Cl)cc1Nc1ccc(C#N)cc1 700190849 HUNSHPTWABNOBB-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccc(F)c(C(F)(F)F)c2)cc1 1614826714 NHCUCZNLYOWPAD-UHFFFAOYSA-N 320.329 5.542 30 10 DKEE C=CCN(C(=O)C1CCC(CCCC)CC1)[C@H]1CCCC[C@@H]1C 1860025935 HYBUTOOKTBZACF-FVELJTHGSA-N 319.533 5.576 30 10 DKEE CCCC1CCC(C=O)(Cc2cc(Cl)sc2Cl)CC1 1883037519 FCKHOWCTAQSSFM-UHFFFAOYSA-N 319.297 5.773 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@H]1C1CCCCCC1 1897649694 XEFIXXNZMISNPP-VXKWHMMOSA-N 311.513 5.671 30 10 DKEE CCCCCCCCC[C@@]1(O)C[C@@H](C)Sc2sccc21 1919903154 KNVFYGPMBUAESO-RHSMWYFYSA-N 312.544 5.961 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cccc(Cl)c1Cl 1920048208 IQXSINQQSYXXEE-KRWDZBQOSA-N 317.300 6.342 30 10 DKEE CCCCCCCCN(Cc1ccccc1)[C@@H](C)C(C)(C)O 1961260273 ITIYBATVSUSOMY-SFHVURJKSA-N 305.506 5.009 30 10 DKEE C=CCC[C@@H](C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 1979641036 FODGKZYGSQQXNS-QZTJIDSGSA-N 309.453 5.271 30 10 DKEE CCC1CCC(C#N)(Cc2cccc(C)c2Br)CC1 2087884008 AOSQHZPOXFFBPD-UHFFFAOYSA-N 320.274 5.410 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(Br)ccc1OC 2108205452 AHLFRLSSWDFWIR-MRXNPFEDSA-N 324.262 5.110 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1c(Cl)cccc1Cl 2108214680 XUPQSPNUUPDBOJ-LSDHHAIUSA-N 300.229 5.137 30 10 DKEE C=C([C@@H](NCCC)c1c(F)ccc(Cl)c1F)[Si](C)(C)C 2164208717 GEPWEWDSJSZTRX-OAHLLOKOSA-N 317.883 5.093 30 10 DKEE CON(CCCCCCCCCS)C1CCCCCC1 2164747114 DZVBIEWRWRNJKE-UHFFFAOYSA-N 301.540 5.233 30 10 DKEE CCCCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NCC 2192519701 OWHAJDPULRLIDT-IRXDYDNUSA-N 303.471 5.507 30 10 DKEE CCCCCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2197922065 STHSKMQEGQSDFW-QGZVFWFLSA-N 316.316 5.875 30 10 DKEE C=CCCCCCCCCCNc1cc(Cl)cc(Cl)c1 2207416538 XLFXLTDUASTSMM-UHFFFAOYSA-N 314.300 6.712 30 10 DKEE C=C(C)CC[C@H](NCC)c1sc(C)c(Br)c1C 2213744653 LODUZLQYRSMACC-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE CCCCCC#CC[C@H](Cc1cccc(Cl)c1Cl)NC 2235754086 PKTQOQCFVAPALM-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE CC(C)(C)C#CC=CC[C@H](O)c1cc(Cl)c(Cl)s1 2256774026 MBLNPGRWHXMAJN-NSHDSACASA-N 303.254 5.084 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2265947837 UELXUZCAERUUAE-QGZVFWFLSA-N 324.306 5.579 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OCC1(CS)CC(F)C1 2280374443 NQYJKVJNQMQOPC-UHFFFAOYSA-N 316.869 5.199 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)c(Cl)cc1C 2281486798 AVQMLCAJUSXDTL-AWEZNQCLSA-N 316.316 6.853 30 10 DKEE COc1ccc(C(=O)C=Cc2ccc(C)cc2)c2ccccc12 2295967874 FYUXXEJMCVCKNQ-UHFFFAOYSA-N 302.373 5.053 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(N)cc1C#N 109978842 XBHWJNLWJJEMHE-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE C[C@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)c(Cl)c1 110258558 BNDUZYQEOZJAKO-LLVKDONJSA-N 305.208 5.062 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCc2sc(Cl)cc21 123370827 OWWOJYNBKMUTJA-GFCCVEGCSA-N 321.898 5.779 30 10 DKEE N#Cc1cc(F)ccc1NCc1sc2ccccc2c1Cl 126225871 FKGZSXAHMHXXRZ-UHFFFAOYSA-N 316.788 5.178 30 10 DKEE N#Cc1ccc(N[C@H]2CCCc3sc(Cl)cc32)cc1Cl 127536295 PLLQDAWLQSFZNY-ZDUSSCGKSA-N 323.248 5.416 30 10 DKEE C[C@@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)s1 135064001 RHHTVJVQHDWQPN-SJKOYZFVSA-N 316.445 5.197 30 10 DKEE CCSc1cccc(Nc2ccc(SC)cc2)c1C#N 136607307 BDCBOUQOCLUPSP-UHFFFAOYSA-N 300.452 5.136 30 10 DKEE CCCCCCCC[C@H](NC)[C@H]1CCCC[C@@H]1C(F)(F)F 140456709 XWVXQXVVVYGGBN-JYJNAYRXSA-N 307.444 5.694 30 10 DKEE CCCCCCCCCCOc1c(Cl)cccc1CCN 166074956 VLMXJJQFWLPEMD-UHFFFAOYSA-N 311.897 5.361 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC[C@H]1C 384851669 LBGHTROMAGGPMX-DVOMOZLQSA-N 306.247 5.273 30 10 DKEE CC1(C)OB(/C=C/c2cccc(Oc3ccccc3)c2)OC1(C)C 396759819 GDBFVMQGOUCWKD-BUHFOSPRSA-N 322.213 5.124 30 10 DKEE Cc1cccc(C#N)c1Nc1cccc(Br)c1Cl 690866483 TUOPTIKUUPZGCU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc2cscc2s1 694408538 ZJKKBDLZVIXTNJ-OAHLLOKOSA-N 310.528 6.527 30 10 DKEE CCCCCCCCCOc1c(F)cccc1Br 706747287 UYSIHFTULQZBGB-UHFFFAOYSA-N 317.242 5.718 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCCC1(C)C 719203367 DREJQVJCIOWAJG-BEFAXECRSA-N 322.493 5.275 30 10 DKEE C=C1CCC(CNc2cc(Cl)ccc2Br)CC1 724553610 LQLKHSQJTWJURK-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE CCCCCCCn1c(CCS)nc2cc(Cl)ccc21 1857801788 KMPJSEOANIDUFO-UHFFFAOYSA-N 310.894 5.132 30 10 DKEE N#Cc1ccc(-c2csc(-c3csc(Cl)c3)n2)cc1 1924603063 IACWFYKSQYCVKQ-UHFFFAOYSA-N 302.811 5.064 30 10 DKEE CC(C)C(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1938413640 ANZTZCWQAWYVKU-MRXNPFEDSA-N 316.445 5.002 30 10 DKEE CC[C@H]1CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1977419024 AULSKZZNEQNAQA-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C#C[C@@H](c1ccccc1)N(Cc1ccccc1)CC1CCCCC1 2019166599 PMMGIWWQEMXVPR-QHCPKHFHSA-N 317.476 5.443 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1cccc(CC)c1 2070123883 RJCFKUMXLJHGHQ-INIZCTEOSA-N 306.453 5.084 30 10 DKEE SCC1(COCc2cc(Cl)cc(Cl)c2)CCCC1 2077253629 DWNPXHJACCVTEI-UHFFFAOYSA-N 305.270 5.000 30 10 DKEE CC1(C)CCC[C@](C#N)(C[C@@]2(Br)CC2(F)F)CC1 2082495342 XPUKQRUQJKUKBD-CHWSQXEVSA-N 320.221 5.049 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H](O)c1sccc1Cl 2148614334 XUHLVCFMBMEQIB-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H](O)c1csc(Cl)c1 2154421124 FHHRIFIBLWICBV-GDBMZVCRSA-N 317.926 5.293 30 10 DKEE C=C1CC(C[C@H](Cc2ccc(Cl)c(Cl)c2)NCCC)C1 2182159060 ZLOPOBRDMJHOEI-HNNXBMFYSA-N 312.284 5.260 30 10 DKEE CCCCCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1F 2204356491 QTTQEEKHQRPERD-AWEZNQCLSA-N 321.263 6.307 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@H](O)c1cscc1Cl 2207433756 AMCZFSFREUPPKV-JKSUJKDBSA-N 315.910 5.069 30 10 DKEE CCCCCCCCCCCOCc1csc(Cl)n1 2231014695 GDZPINDZTKHQBH-UHFFFAOYSA-N 303.899 5.844 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccccc1OCc1ccccc1 2244633978 JOLCFRHVJMUXTP-HXUWFJFHSA-N 309.453 5.402 30 10 DKEE C=C(C)CCCCC(=O)c1c(C)sc(C)c1Br 2250189894 KXSYTYPEWARTMG-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(O)c1c(Cl)cccc1Cl 2284084886 XFBUYTFIJQTBBS-QGZVFWFLSA-N 311.252 5.197 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Cl)nc2Cl)CC1 2286803011 PYGITTPQBAMFOQ-MRXNPFEDSA-N 311.256 5.431 30 10 DKEE CCCCCOc1ccc(C=C2CCc3ccccc3C2=O)cc1 2297334181 LQWBZZYRHNXDGZ-UHFFFAOYSA-N 320.432 5.468 30 10 DKEE OCCCCCCCC#Cc1cc(Cl)c(Cl)c(Cl)c1 2353040734 FLMBXUAONBRGST-UHFFFAOYSA-N 319.659 5.331 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 2370608220 RZMTZSUNQYTCTH-UONOGXRCSA-N 306.755 5.385 30 10 DKEE O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1cccs1 34152132 QWSRGGQYMCCHBF-VAWYXSNFSA-N 306.386 5.437 30 10 DKEE Cc1ccc2nc(C(C)C)c(/N=N\c3cccc(C#N)c3)n2c1 71589827 IZILBQQIDDASFG-DQRAZIAOSA-N 303.369 5.053 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1C(C)C 83192659 DVRJPGADDSKYIZ-XYOKQWHBSA-N 324.420 5.113 30 10 DKEE CC(C)[C@H](CS)COc1cc(Cl)c(Cl)cc1Cl 94583555 OOBHHEXBOXLDES-QMMMGPOBSA-N 313.677 5.228 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccc(C(F)(F)F)cc1 109958455 PAWNHCHFWBREOJ-CQSZACIVSA-N 301.396 5.544 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)c1scnc1C 143509252 WGEIWLRNVDAGDO-QGZVFWFLSA-N 310.551 6.023 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc3ccccc3s2)C1 222235894 QMBSJXPXPRBNOB-WWGRRREGSA-N 316.495 5.497 30 10 DKEE CC[C@H](Nc1cc(Br)cc(C#N)c1)C1CCCCC1 227616133 IRVPWRUQVYRYKQ-INIZCTEOSA-N 321.262 5.092 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 228824449 OUJYOQJXLRZCEU-MRVPVSSYSA-N 310.171 5.361 30 10 DKEE C=CCC[C@H](C)Nc1ccc2cc(Br)ccc2c1 228826594 ITOBIKPGSNNDEJ-LBPRGKRZSA-N 304.231 5.369 30 10 DKEE C=CCCCCC[C@H](O)c1cc2cccc(Br)c2o1 236513159 GQEXNSZPGBKHQR-AWEZNQCLSA-N 323.230 5.365 30 10 DKEE CCCCCCCCNC[C@@H](c1cccs1)N1CCCCC1 257671088 ZRQBNUHZLYIOCB-SFHVURJKSA-N 322.562 5.225 30 10 DKEE CCCCCCCC[C@H](N)c1c(C)cccc1Br 310890488 YVMMNWLQFZYQLP-HNNXBMFYSA-N 312.295 5.508 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1sccc1Cl 313002611 VAPPFZLKHXRQBL-OAHLLOKOSA-N 315.954 6.192 30 10 DKEE CCCCCCCCN[C@H]1CCc2ccc(Br)cc21 388423885 QYOIJCDRTBUBKK-KRWDZBQOSA-N 324.306 5.387 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](C)c2ccc(Br)cc2)C1 394060957 XZQGQCZTAUWJNZ-CKEIUWERSA-N 320.274 5.663 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)Sc1ccccc1Br 704941153 VLMUGCIJULGOFL-XUJVJEKNSA-N 324.287 5.260 30 10 DKEE CC1(C)CCCCC[C@H]1Nc1ccc(Br)c(C#N)c1 719278176 XLHLVHHLBLXKPM-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CC(C)[C@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1901678783 RDUUOQPMFFDQRT-HNAYVOBHSA-N 322.493 5.131 30 10 DKEE C=C([C@H](NCC)c1scc(C)c1Br)C(C)(C)C 1950858396 HRWRLPUEFSQWDK-LBPRGKRZSA-N 316.308 5.072 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)C1CCC(C)CC1 1975998310 NEJKFMPHZXETRK-LEPAWZOPSA-N 322.493 5.131 30 10 DKEE O=C1C(=Cc2nc(-c3ccccc3)cs2)CCc2ccccc21 2042435048 RFTFFIMSGABYCC-UHFFFAOYSA-N 317.413 5.023 30 10 DKEE C=C([C@@H](NC)c1c(Cl)ccc(Cl)c1Cl)[Si](C)(C)C 2045674960 FBLOPRQZBFTXMB-CYBMUJFWSA-N 322.739 5.341 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)sc1C)[Si](C)(C)C 2045770341 OKZPOGPGPCOCDN-CQSZACIVSA-N 301.959 5.184 30 10 DKEE CCCCC[C@H](CC)Nc1ccc(C#N)c(Br)c1 2073351206 TVRFLPSZYKFMJD-ZDUSSCGKSA-N 309.251 5.092 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1scc(Cl)c1Cl 2096218868 PPTRIAVILXPNSQ-LBPRGKRZSA-N 318.313 5.535 30 10 DKEE CCCCCCCCCCCC(=O)c1csc(Cl)c1 2098163561 ZTJKULJOLNGPEK-UHFFFAOYSA-N 300.895 6.505 30 10 DKEE C=CC1(C[C@@H](NCC)c2cccc(C)c2Br)CCC1 2111712188 UXGZLPRVTOOEHT-OAHLLOKOSA-N 322.290 5.155 30 10 DKEE C=CCCC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2116485489 CTRLIXHGYBFUTR-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE C=CCCCCCCC(=O)c1c(Cl)ccc(Cl)c1Cl 2141907722 HSJLSPAYISCXBW-UHFFFAOYSA-N 319.659 6.356 30 10 DKEE CCCN[C@@H](CC#CC1CC1)c1cc2sc(C)cc2s1 2156531334 LERVPMKSUYZNJN-AWEZNQCLSA-N 303.496 5.115 30 10 DKEE C=C(C(=O)c1ccc(-c2ccccc2Cl)s1)[Si](C)(C)C 2164068622 KOGIUDNSJZKOKT-UHFFFAOYSA-N 320.917 5.685 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cc(C(F)(F)F)cs2)C1 2168511294 QJDKWECCMKSMCA-AWEZNQCLSA-N 304.377 5.095 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@H]1O 2172977545 DZJIOFULGQQDTA-HLIPFELVSA-N 302.439 5.281 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1cc(Cl)sc1C 2207396597 MXHABIHWUMEPBQ-INIZCTEOSA-N 313.938 6.407 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@H](O)c1ccc(Cl)s1 2207436688 KGAMLXDVGMFGMQ-BBRMVZONSA-N 315.910 5.069 30 10 DKEE CCCCCCCC[C@H](O)C(=O)c1ccc(Cl)cc1Cl 2207444268 IAPMARZNHJXBQX-HNNXBMFYSA-N 317.256 5.288 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(C)cc1CN[C@H](C)CC 2217116240 GQGOXYBLUZMABS-LJQANCHMSA-N 322.496 5.076 30 10 DKEE CC(C)(C)[C@@H](CS)COCc1ccc(Cl)cc1Cl 2223384606 DPXJHBVXFMIFTO-LLVKDONJSA-N 307.286 5.102 30 10 DKEE CCCC#C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2225434487 SFNQJULPICPOMS-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE CC[C@@](C)(CCCC(C)C)OCC1(CS)CCCCC1 2234439094 WCIPJHMNYSKITM-KRWDZBQOSA-N 300.552 5.878 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCC1)c1cccc(Cl)c1Cl 2235757224 KEQXBJAPOQCNLB-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1ncc(Cl)cc1Cl 2287415525 VGHWIVCXAVZIAZ-OAHLLOKOSA-N 315.288 5.566 30 10 DKEE CCN(CC)c1ccc(C=C2CC[C@H](C3CCCC3)C2=O)cc1 2297334193 MEWRVUFQFLRCIY-HXUWFJFHSA-N 311.469 5.086 30 10 DKEE CC[C@@H](C)c1ccc(O)c(N=CC=Cc2ccc([N+](=O)[O-])cc2)c1 2297532760 BPKLBAAQPKVDNQ-CQSZACIVSA-N 324.380 5.230 30 10 DKEE FC(F)(F)c1ccc(OCCCCCCS)c(Cl)c1 2340995805 XYRYUOJUDPFRJM-UHFFFAOYSA-N 312.784 5.228 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349844353 FKAAHEOSWIZWOK-ZUZCIYMTSA-N 304.236 5.385 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cc2sccc2s1 2364089268 LFKRJDQUPBYLAA-QGZVFWFLSA-N 305.512 5.772 30 10 DKEE CCCC[C@](C=O)(CC)CCCc1cc(Cl)cc(Cl)c1 2366848205 KBBBMZZBQGQHPO-QGZVFWFLSA-N 315.284 6.102 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Br)cc2)C1 37156675 KBPXEUQUZIZTRY-TYNCELHUSA-N 324.287 5.260 30 10 DKEE CCC(C)(C)C1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 37393361 ACKRSHXITHMYSP-UHFFFAOYSA-N 304.865 5.619 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccccc2OC)cc1C(C)C 83192663 GRICWDUTHDTGQF-ZRDIBKRKSA-N 324.420 5.113 30 10 DKEE CCCCCCCCCOc1ccc(CNCC)cc1Cl 107718274 MHHLGOWXRLILSC-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCC[C@@](C)(NCC)c1nc2c(s1)CCCC2 109689929 WLNQHNITSZCXBQ-GOSISDBHSA-N 308.535 5.207 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(F)c(Cl)c1 109715697 KOTYVUQBNGHUPD-QGZVFWFLSA-N 300.845 6.043 30 10 DKEE C=CCSc1ccccc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 109900854 ZCLWNHPEQRQLIR-BBWFWOEESA-N 301.499 5.736 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(Cl)cc(Cl)c1 122398815 PZGJJJDKRADNLV-HNNXBMFYSA-N 303.277 5.248 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cc2ccccc2s1 126426099 VKHSPIZGTNTAEO-LLVKDONJSA-N 312.825 5.599 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cnc2ccsc2c1 163663756 JBFFBXRFXFRXKR-MRXNPFEDSA-N 304.503 5.698 30 10 DKEE CCCCCCCCCCCCC(=O)Cc1csc(N)n1 226421483 KFQGUWRSCIAUGQ-UHFFFAOYSA-N 310.507 5.148 30 10 DKEE c1ccc(N=C2S/C(=N\C3CCCCC3)C3=C2CCCC3)cc1 263626962 HGLGOPBWVAFTHU-OPBWJXCKSA-N 324.493 6.065 30 10 DKEE CCCCCCC[C@H](C)NCC[C@H](C)N(C)Cc1ccccc1 379629753 OZBARFCASZUXQK-PMACEKPBSA-N 318.549 5.236 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1cc(Cl)ccc1Cl 387496976 FHBAJWKPNSINRY-INIZCTEOSA-N 316.272 5.015 30 10 DKEE CC[C@@H]1NC(=Nc2cc(Cl)c(C)c(Cl)c2)S[C@@H]1CC 690282728 PMRCBFQXRDAXHN-QWHCGFSZSA-N 317.285 5.183 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@@H](C)CC(C)(C)C1 698381776 XDODTNZKMQAZRY-DOXZYTNZSA-N 322.493 5.131 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)c2ccccc2)c1 698406993 SLRBQBLWOODHMQ-GOSISDBHSA-N 322.408 5.001 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCC(C)(C)C 698483267 JDZLJFXKHUAGAT-KDOFPFPSSA-N 310.482 5.131 30 10 DKEE FC(F)Oc1c(C(F)F)sc2cc(C(F)(F)F)ccc12 725292966 WWRMNFCYBMWSHZ-UHFFFAOYSA-N 318.213 5.459 30 10 DKEE CC[C@@H](Nc1nccc(-c2ccccc2)c1C#N)c1ccccc1 1859803292 URKYYKMRXVGGEP-HXUWFJFHSA-N 313.404 5.183 30 10 DKEE C=C(CC)C[C@H](NCC)c1cccc(Cl)c1Br 2000381997 KCNXVCWNVYBCJT-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE CCCC[C@@](C)(C#N)[C@@H](O)c1cccc(OCc2ccccc2)c1 2000513574 LEZZDLQOSXPOBI-SFTDATJTSA-N 323.436 5.019 30 10 DKEE Cc1cccc(CC2(C#N)CCCCCC2)c1Br 2027610736 JZVSGGHBUCXGDN-UHFFFAOYSA-N 306.247 5.164 30 10 DKEE CCCCCCCC[C@@H](NC)c1scc(Cl)c1Cl 2035091413 HBFIOGDIIAILFX-GFCCVEGCSA-N 308.318 6.066 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(Br)ccc1C 2040531281 WZLULWPBHRQQIP-BBRMVZONSA-N 310.279 5.010 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(Br)c(C)c1 2040532526 FPSRBWDRQTVMMC-LRDDRELGSA-N 310.279 5.010 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](c1ccc(F)cc1)C(C)C 2070131230 MEUPBNAQIUJJQN-OAQYLSRUSA-N 324.443 5.297 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1ccc(CCC)cc1 2070169281 RKHXAJSHMBYNCL-INIZCTEOSA-N 306.453 5.084 30 10 DKEE C=C([C@@H](NCCC)c1c(C)cccc1Br)C(C)(C)C 2096633587 RLCZFMMJVLOAMA-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1cc(Cl)c(Cl)s1 2098757282 HXSZLBNZHPFFLQ-WCQYABFASA-N 324.317 5.166 30 10 DKEE C[C@H]1CC([C@@H](C#N)c2ccc(F)cc2Br)C[C@H](C)C1 2128746491 SEFLPVAOYIIPNO-UEKVPHQBSA-N 324.237 5.268 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(C)cc1Cl 2136691060 GHJMSRAHECPTEZ-MRXNPFEDSA-N 302.289 6.052 30 10 DKEE CCCCCC#CCC(=O)c1cc(C)c(Br)c(C)c1 2139058921 JLSPUBMCSGXGOA-UHFFFAOYSA-N 321.258 5.222 30 10 DKEE C=CCCCCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 2146763792 RCZZNYRLHBEJOH-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE CSc1ccccc1[C@H](C)Nc1ccc(Cl)cc1C#N 2152745920 RBWIPQIDZYAEKE-NSHDSACASA-N 302.830 5.107 30 10 DKEE C=CC[C@H](C)[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164162028 MRSYDBZFDWRPQG-YVEFUNNKSA-N 305.874 5.541 30 10 DKEE CC#CCCC[C@@H](NCCC)c1cscc1C(F)(F)F 2194067849 RCXAUSHXDLLHIE-CQSZACIVSA-N 303.393 5.001 30 10 DKEE CCCCCC#CC[C@@H](NCCC)c1cc(Cl)sc1C 2203823602 PKFIMSAHUSMDND-MRXNPFEDSA-N 311.922 5.724 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](N)c1c(Cl)cccc1Cl 2205692774 XUVGCZJZUFOBKK-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C=CCCCCCCCN(C)[C@H]1CC[C@H]1OCc1ccccc1 2211146504 QVHCLXKPNLLRMF-LEWJYISDSA-N 315.501 5.193 30 10 DKEE C=CCCCCCCCOCC1(NCc2ccccc2)CCC1 2211146983 SBWUYDAAOFYKRX-UHFFFAOYSA-N 315.501 5.242 30 10 DKEE CCCC1(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)CCC1 2235753718 MCRCDCGVIFEVEQ-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE CCCCCCC[C@](C)(N)CCCC(F)(F)C(F)(F)F 2240466635 MAFFKAQXFMVZCM-LBPRGKRZSA-N 303.359 5.432 30 10 DKEE CCCCCCCOCc1c(F)cccc1Br 2251321351 SNCAACHMDPUNSY-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE CC(C)c1cc(Br)cc([C@H]2CC[C@](C)(CC#N)O2)c1 2266017244 GBMIVXVBTHYOID-HZPDHXFCSA-N 322.246 5.096 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSc1cc(Cl)cc(Cl)c1 2327090183 SGCMNWSQDUMKSV-AWEZNQCLSA-N 323.354 6.068 30 10 DKEE C=CCC(CC=C)SC[C@@H](N)c1ccc(Cl)c(Cl)c1 2335202638 FDQQHBOBEWBKFM-OAHLLOKOSA-N 316.297 5.247 30 10 DKEE C=CCCSc1cc(Cl)c(F)cc1CNC(C)(C)C 2337275760 YWMHWNHGCCBKDC-UHFFFAOYSA-N 301.858 5.035 30 10 DKEE C=C([C@H](NCC)c1c(Cl)cc(C)cc1Cl)C(C)(C)C 2353054210 IPWCOVVFJAIGEQ-HNNXBMFYSA-N 300.273 5.555 30 10 DKEE CC(C)(C)C#CC=CC[C@H](O)c1c(Cl)cc(F)cc1Cl 2366403904 VRAZMDVEQXDQCY-AWEZNQCLSA-N 315.215 5.162 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2370522469 QPUFHZDZJIHRMJ-DLBZAZTESA-N 314.300 5.506 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21 14458651 QEQWRDZHBSZULR-UEXGIBASSA-N 317.432 5.386 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21 14551516 HHJMNLKEPZHJIP-ZWOKBUDYSA-N 303.405 5.078 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(NC(C)=O)c(Cl)c1 59431467 PSOSDJZIFYZBJI-CYBMUJFWSA-N 310.869 5.459 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2ccccc2Cl)C1 110265539 TZIFBTVBYPDXKV-OIPACUDHSA-N 304.865 5.051 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(C(F)(F)F)cc1 115652119 WNOIYXKIKXZHEU-MRXNPFEDSA-N 302.380 5.880 30 10 DKEE C=CCSc1ccccc1NCc1ccc(C(C)(C)C)s1 165993342 OZGPYZKHKZDZLK-UHFFFAOYSA-N 317.523 5.936 30 10 DKEE N#CC1(Cc2cc(Cl)cc3c2OCC3)CCCCCCC1 228552102 FUPCMCFPWZABPQ-UHFFFAOYSA-N 303.833 5.072 30 10 DKEE CCCCCCCCCCNc1cc(Cl)c(F)cc1N 232919783 HBPYYEDSMYMIHV-UHFFFAOYSA-N 300.849 5.614 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Cl)ccc1Br 233106175 CQKMXMOXNCTUJD-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCC[C@]1(O)CCCN(Cc2ccccc2)C1 303443924 YIFDQDPMBGBHFN-NRFANRHFSA-N 317.517 5.154 30 10 DKEE CCCC(CS)(CCC)CSc1nc(CC)cs1 382962319 OXUSYFHJHHOPGN-UHFFFAOYSA-N 303.562 5.314 30 10 DKEE C=CCC[C@H](C)Nc1cc(F)c(Br)c(Cl)c1 393816727 JOBTXPNRSSULTF-QMMMGPOBSA-N 306.606 5.008 30 10 DKEE CCCCCCC[S@@](=O)Cc1c(Cl)cccc1Cl 586377773 RCQMOZCGXCGIAC-GOSISDBHSA-N 307.286 5.213 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1sccc1Br 703947032 CGBPKPZGJQRIEJ-LLVKDONJSA-N 316.308 5.154 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 709120172 XBSVZVBYSCHZHL-WDEREUQCSA-N 312.240 5.242 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 710698682 VKBYWXSXCSJKCM-CYBMUJFWSA-N 309.734 5.028 30 10 DKEE CCCCCOc1ccc(C#Cc2ccc(OCC)cc2)cc1 725408476 KMRMILXMKMCERC-UHFFFAOYSA-N 308.421 5.054 30 10 DKEE C=CCN(CCc1cc(Cl)cc(Cl)c1)Cc1ccccc1 1892559212 NZHCSNPAZXGNFZ-UHFFFAOYSA-N 320.263 5.224 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](N)c1ccc(Cl)c(Cl)c1 1920353643 ZKGMOODBZNFQCY-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE C=C([C@@H](NCC)c1c(Cl)cccc1Cl)[Si](C)(C)C 1922868999 MDXHEAQGALMQKQ-CQSZACIVSA-N 302.321 5.078 30 10 DKEE CCCCCCC[C@@H](C)NCc1cscc1Br 1948478774 OLPUDWMJTFWXTQ-GFCCVEGCSA-N 318.324 5.349 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C#N)(CC)C1CCCCC1 1975997218 HYFGKZVVVNHQAN-HNAYVOBHSA-N 322.493 5.275 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Br)c(C)s1 2000364839 KWECHBZMBFWJBQ-IINYFYTJSA-N 316.308 5.072 30 10 DKEE CCCCCCCC(=O)c1nc(CC)sc1Br 2003553140 CHNGIRXIVBGTOD-UHFFFAOYSA-N 318.280 5.011 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1snc(Cl)c1Cl 2048317400 KIZHAYXIBGACAD-KOLCDFICSA-N 307.290 5.093 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Br)oc1C 2059111686 MWMYMWGOCCPXPV-CQSZACIVSA-N 314.267 5.138 30 10 DKEE C=C(Cl)C[C@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2136079781 ZDGLMKDLZOTLNQ-LBPRGKRZSA-N 312.162 5.152 30 10 DKEE C=C([C@H](Cc1cc(Cl)cc(Cl)c1)NCC)C(C)(C)C 2139114691 GOYQZLFGBVMLQB-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H](O)c1cscc1Cl 2148585118 ATAORXXFZRKFHL-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc(C(F)(F)F)cs2)CCC1 2168028666 OKZGRSAGZTUWLW-GFCCVEGCSA-N 303.393 5.164 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 2168549613 YLNFWTINAOAEQV-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1ccccc1Cl 2184458841 WEWFBYODCXIBMF-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCCCCC[C@@H](O)c1cccc(SC(F)(F)F)c1 2196512368 HMPFECMQZRJYRU-CQSZACIVSA-N 304.377 5.468 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1cc(Cl)ns1 2207427650 OSDHTXICYYKWKZ-CQSZACIVSA-N 314.926 5.754 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cscc1Br 2214614327 XZHATSSCBJPAJP-CQSZACIVSA-N 317.292 5.461 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Br)cs1 2214619692 CUOWGDMSUYTZIX-UHFFFAOYSA-N 315.276 5.610 30 10 DKEE C=C(C)CCOC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2238018362 MTXMIYBIORFINQ-INIZCTEOSA-N 316.272 5.017 30 10 DKEE C=C(C)CCCC[C@@H](N)c1sc(Cl)cc1Br 2244971529 LQSHSTHNIODOOP-SNVBAGLBSA-N 322.699 5.300 30 10 DKEE C=CCC1(NCc2cc(Br)cc(C(C)C)c2)CCC1 2265943752 FDCVGUOJNLJKMV-UHFFFAOYSA-N 322.290 5.161 30 10 DKEE CC(C)c1cc(Br)cc([C@@H]2CCC[C@@H](CC#N)O2)c1 2266017130 FXJWBICJBWLNCK-HOTGVXAUSA-N 322.246 5.096 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c([C@@H](C)O)s1 2271581715 LDSILCISXPPHJW-LLVKDONJSA-N 319.923 5.469 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(O)c1cccc(Cl)c1Cl 2284080101 GBXNYRLOLIVTKE-QGZVFWFLSA-N 311.252 5.197 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cc(Cl)nc(Cl)c2)CC1 2286801102 QRMHQUQATTZPGB-MRXNPFEDSA-N 314.256 5.107 30 10 DKEE CC(C)(C)C1=CC(=Cc2ccccc2)C(C(C)(C)C)=C(O)C1=O 2297592712 PCPUFADPPJYLKZ-UHFFFAOYSA-N 310.437 5.483 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2344338760 CJLALIYHOGJKHG-JKSUJKDBSA-N 300.273 5.116 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(F)c(Cl)c1 2360199973 DDBQOZSEIDIAFI-BLLLJJGKSA-N 315.885 5.218 30 10 DKEE FC(F)(F)CCCCCOCC1(CS)CCCCCC1 2362711519 XZFQOPFTNHQIEM-UHFFFAOYSA-N 312.441 5.396 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)CC[C@H](C)C(F)F 2364119649 ONPWUMVWFNBVMF-VBKZILBWSA-N 311.482 5.465 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccc(Br)cc1 109705842 UKFMVUQMDXFREP-INIZCTEOSA-N 312.295 5.374 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(Cl)cc1 109901182 SMUMKBIYQVYEPY-CYBMUJFWSA-N 303.858 5.791 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(C(F)(F)F)ccc1F 109962078 UOULGIRMQACONK-LBPRGKRZSA-N 305.359 6.005 30 10 DKEE CCCCCCC[C@H](C#N)Nc1ccc(Br)cc1 110028635 XUJNPWCVYAARPP-OAHLLOKOSA-N 309.251 5.114 30 10 DKEE C[C@@H](CC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C(C)(C)C 111650481 NHKRKVNEVIMUJC-GXFFZTMASA-N 312.240 5.242 30 10 DKEE CCCCCCCCCNCC(C(F)(F)F)C(F)(F)F 116947505 LTGXVOHLCHIZEX-UHFFFAOYSA-N 307.322 5.067 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Nc1c(F)cccc1Cl 122245595 KRKNXLFNXXIGFN-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCCNc1cccc(F)c1C(N)=S 129347226 MSRWLFHWZLNROA-UHFFFAOYSA-N 310.482 5.013 30 10 DKEE CCSc1cccc(N[C@@H](C)c2ccc(Cl)s2)c1C#N 130537354 RWJSHPVXRYTFLN-JTQLQIEISA-N 322.886 5.558 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Br)cc1C#N 132161825 IVHSBCFPRVYXTN-ZDUSSCGKSA-N 323.278 5.482 30 10 DKEE CCCCCC/C=C/CCCCCCCCCCCCCCC 135967936 IRYCVIRCWSSJOW-FYWRMAATSA-N 322.621 8.994 30 10 DKEE CCCCCCCCCCNc1ccc([N+](=O)[O-])cc1Cl 136696452 XLFRLODGDUSDBU-UHFFFAOYSA-N 312.841 5.801 30 10 DKEE CCCCCCCCCNCc1sccc1Br 148148723 CPEUYJAZQWXKKU-UHFFFAOYSA-N 318.324 5.351 30 10 DKEE CCCCCCCCNCc1cc(F)cc(Br)c1 160916624 DMRMSIVYADNQTK-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE CCCCCCCC(=O)c1ccc(F)cc1Br 164712067 BGHWLYKWKMSTEI-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)COCCCCCC 189910540 UKSPZZWAPWQEAZ-UHFFFAOYSA-N 317.473 5.074 30 10 DKEE Cc1ccc(Sc2ccccc2/N=C/c2ccccc2)cc1 206559994 BNTVFMUAVPARLV-RCCKNPSSSA-N 303.430 5.897 30 10 DKEE CCCCCCCCCCCC(=O)Cc1nc(C)c(C)s1 229285826 KOZJXRDIGRVGIA-UHFFFAOYSA-N 309.519 5.792 30 10 DKEE C[C@H](N[C@@H]1CCCCC[C@H]1C#N)c1ccc(Cl)cc1Cl 251570271 UOHSKFPKPXURTI-MQIPJXDCSA-N 311.256 5.116 30 10 DKEE CC(C)C(N=Nc1ccccc1)=NNc1nc2ccccc2s1 254288474 BTDUJVCGFGZGSH-UHFFFAOYSA-N 323.425 5.462 30 10 DKEE Cc1cccc(N=Cc2ccc(C=Nc3cccc(C)c3)cc2)c1 254509795 NXPCFNXVTJNYCN-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE CCCCCC[C@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698818358 YCUSWXLZAKHWEW-GOSISDBHSA-N 310.482 5.132 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC[C@@H]1C(C)C 698830757 XJETVMGERBKELK-VQIMIIECSA-N 322.493 5.132 30 10 DKEE CC[C@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698925404 YHSYIPRQTPJEQY-HNAYVOBHSA-N 316.445 5.065 30 10 DKEE CC/C(=N\OCc1cc(Cl)ccc1F)c1ccc(C)cc1 821218584 ZDKHHOJONQNTFB-LVZFUZTISA-N 305.780 5.118 30 10 DKEE CCCCCCCCCOc1cccc(NC(=O)C2CC2)c1 1860090355 ZNDGMGSTPDZBQY-UHFFFAOYSA-N 303.446 5.165 30 10 DKEE C=CCCCCNc1ccc(Cl)c(Br)c1Cl 1900304759 AOMKILILPUSQSI-UHFFFAOYSA-N 323.061 5.524 30 10 DKEE CCCCCCCCCN(C)[C@@H]1CC[C@@H]1OCc1ccccc1 1990780130 YKUKAHICLSLJTI-RTWAWAEBSA-N 317.517 5.417 30 10 DKEE C#CC[C@H](CN(Cc1ccccc1)[C@H](C)c1cccs1)C1CC1 1991256647 AQXNZZXCQNOUMX-YLJYHZDGSA-N 323.505 5.361 30 10 DKEE C=CCCCCCCCCN[C@H](C)CN(C)Cc1ccccc1 1995329033 XJRGWTWRWFQTBJ-HXUWFJFHSA-N 316.533 5.013 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Br)ccc1C 2082516997 JOYBNFSBRPRASO-INIZCTEOSA-N 313.279 5.326 30 10 DKEE CCC1(C)CCC(C#N)(Nc2ccccc2Br)CC1 2114874892 QMCAWXZLQJHZTK-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(Cl)cc1Cl 2123090160 YRNRMUIGVXRROK-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2140968550 UBDQUELYPONBLE-GFCCVEGCSA-N 311.903 5.660 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1scnc1Cl 2142445790 JRQUFTGDKDMGCJ-ZDUSSCGKSA-N 301.883 5.527 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H]1CCOc2c(Cl)cc(Cl)cc21 2152864419 JHAKFRXZIAIWFT-XHDPSFHLSA-N 314.256 5.151 30 10 DKEE CCCCCCCCCCC[C@H](O)c1cc(Cl)sc1C 2154477173 DUCDIZKRMRKMJJ-INIZCTEOSA-N 316.938 6.664 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(C(F)(F)F)ns1 2155031478 RIBQTKIPGBCSTD-LLVKDONJSA-N 308.413 5.173 30 10 DKEE C#CC(C)(C)CC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2167590963 AJGPQVLWYSBXQK-UHFFFAOYSA-N 302.826 5.301 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2c(Cl)cncc2Cl)CC1 2181666723 BSAZNLCDCWKVPW-NSHDSACASA-N 312.240 5.344 30 10 DKEE CC[C@](C#N)(C(C)C)[C@@H](O)c1cc(-c2cccs2)cs1 2184377330 HJUYWKBVICIMOE-HOTGVXAUSA-N 305.468 5.086 30 10 DKEE C=C[C@H](N[C@@H](c1ccco1)c1ccc(Cl)s1)C1CCC1 2197829263 ISPKWYVOGKUBFF-LRDDRELGSA-N 307.846 5.028 30 10 DKEE C=CCCCCCCCCCN(C)Cc1cc(Cl)ns1 2207374346 BCXVJAYNCMVWLT-UHFFFAOYSA-N 314.926 5.535 30 10 DKEE C=CCCCCCCCCC[C@@H](O)C1(P(C)(C)=O)CC1 2207389991 GHBOIVLLBKYCBV-MRXNPFEDSA-N 300.423 5.200 30 10 DKEE CCCN[C@@H](C#CC(C)(C)C)c1scc(Cl)c1Cl 2218434610 GTAQQLMXSSECPM-NSHDSACASA-N 304.286 5.145 30 10 DKEE C=CCCCCCCCNc1ccc(C#N)cc1Br 2227270702 HVQDMEPNNMJZES-UHFFFAOYSA-N 321.262 5.259 30 10 DKEE CCCCCCCC[S@@](=N)(=O)CCCCCCC1CC1 2239364393 CERAIZREEZXMRL-HXUWFJFHSA-N 301.540 5.754 30 10 DKEE C=CC[C@H](C)c1cc(Br)cc(OC(F)(F)F)c1 2250870392 RTYNVSVMBKINCK-QMMMGPOBSA-N 309.125 5.027 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(Br)c(F)c1C 2259185494 XRWBCDPADRRUBZ-AWEZNQCLSA-N 315.226 5.067 30 10 DKEE Cc1cc(NC[C@@H](C#N)C2CCCCC2)c(Cl)cc1Cl 2294711464 SXLWLIYRGRQLOW-CYBMUJFWSA-N 311.256 5.434 30 10 DKEE CC(=NOCCCc1ccccc1)c1ccc(C(C)(C)C)cc1 2330465219 IYVWMRKXRZQBMY-UHFFFAOYSA-N 309.453 5.358 30 10 DKEE CC(C)(C)SCCSC1=CC(=O)C[C@@H](c2ccccc2)C1 2149052 FGLLLXZNBRZFPT-OAHLLOKOSA-N 320.523 5.282 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2 14475041 YZHDEBJQFFZIAQ-SXWKCWPCSA-N 322.411 5.538 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cc(C)ccc2SC)cc1 83193156 UNKWSGVYWAMVGO-DHZHZOJOSA-N 312.434 5.012 30 10 DKEE Cc1cc(C)cc(CSC[C@@H](CS)c2ccccc2)c1 94721430 YRPRGJJCVKOYDS-GOSISDBHSA-N 302.508 5.250 30 10 DKEE CCC#C[C@H](C)[C@H](C)c1ccc(OCc2ccccc2)cc1C 107616817 BOBMSGVSYKFSKZ-HKUYNNGSSA-N 306.449 5.727 30 10 DKEE CCCCCCC[C@](C)(NCCC)c1nc(CC)c(C)s1 109690104 ANNZBSHUPWXKQF-SFHVURJKSA-N 310.551 5.589 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Br)cs1 112721439 QGDHIRSBZXEQTA-CYBMUJFWSA-N 318.324 5.522 30 10 DKEE C=CC[C@H](NCCC)c1ccc2cc(Br)ccc2c1 128801280 ZHFZEXNVEJBGBU-KRWDZBQOSA-N 318.258 5.219 30 10 DKEE CCCCCCCn1ccc2cc(OCc3ccccc3)ccc21 167795446 IOJPAWFLXGJWCU-UHFFFAOYSA-N 321.464 6.191 30 10 DKEE CC(C)c1ccc(Nc2cccc(Br)c2C#N)cc1 168453046 OEUXTDIIKYWIHK-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE Cc1cc(Br)c(Nc2cccc(C#N)c2)cc1Cl 227628905 XIGCWWYKUAIHAO-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(C)c(C)c(Oc2ccc(Br)cc2C#N)c1 229179862 AHTBJOCMVGRPOX-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CCCCn1c(N=Cc2c[nH]c3ccccc23)nc2ccccc21 254303937 OFUWBAUMAHWCLH-UHFFFAOYSA-N 316.408 5.068 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(Cl)sc2Cl)C1 312690310 OORVMJKNTGDJPA-LJWDBELGSA-N 318.269 5.198 30 10 DKEE C=CC[C@H](CC)n1c(S)nc2cc(Cl)c(Cl)cc21 393781694 BGASANGYAYVVRV-QMMMGPOBSA-N 301.242 5.159 30 10 DKEE CCCCCCCC[C@H](OCCCCCC)C(=O)OCC 585668430 VKXXLOHPTUKYRD-KRWDZBQOSA-N 300.483 5.266 30 10 DKEE CCCCCCCC(=O)c1ccc(F)c(Br)c1F 691537882 FUPRPHFHGMSLTD-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE C=CCCC(C)(C)CN[C@H](CC)c1cccc(Br)c1 704040229 OYDQTRYHPRYHSD-MRXNPFEDSA-N 324.306 5.482 30 10 DKEE CCCCCCCCOC[C@@H](N)c1cc(Cl)ccc1Cl 709573446 AJMCJJJPYZDLTG-MRXNPFEDSA-N 318.288 5.370 30 10 DKEE C=CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1CNCC(C)C 715065876 YASONMISZCLZOX-GFCCVEGCSA-N 316.272 5.082 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccccc1Br 821996687 KYYSZYIALSQDIK-JJRVBVJISA-N 322.290 5.235 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccc(Cl)c(Cl)c2)cc1 1614731204 QKLQGDRKKBBRNY-UHFFFAOYSA-N 303.232 5.691 30 10 DKEE C=CC1(CC(=O)c2cscc2OCc2ccccc2)CCC1 1960776552 IXFFWXONSFPHPL-UHFFFAOYSA-N 312.434 5.256 30 10 DKEE CCCCCCCCCC[C@@H](N)CCCOCc1ccccc1 1976705098 VMXPOOUEEBGQIL-OAQYLSRUSA-N 319.533 5.842 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(Br)c(Cl)s1 1978550540 RZKYHXQOJIGUDV-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE N#CC1(Cc2cccc(Br)c2Cl)CCCCC1 2001848525 YJUWOECBKBHVCW-UHFFFAOYSA-N 312.638 5.119 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Br)cs1 2009494925 YDVQMUSDDIKVCO-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(CNC(C)C)c(C)c1 2013173318 BDSXLLBVHPXASH-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=CCCCCCC[C@H](N)c1sc(Br)cc1C 2026000932 BSABQTVYRWZUNZ-LBPRGKRZSA-N 316.308 5.345 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(Br)c(C)c1 2040532527 FPSRBWDRQTVMMC-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE CCCCC#CC[C@H](NCC)c1cc(Cl)sc1Cl 2083430940 OEQZFZWWXAEERN-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C=CCCCCCCCCOc1ccc(Br)nc1 2086280769 KXRHZGKTILXJGD-UHFFFAOYSA-N 312.251 5.140 30 10 DKEE C=C([C@@H](NCCC)c1cc(C)ccc1Br)C(C)(C)C 2096631978 MDYCYHMTUSAOMB-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE CCCCCCCCCOC1(CC)CCC2(CC1)OCCO2 2105171628 LHIXARODBUYAJQ-UHFFFAOYSA-N 312.494 5.220 30 10 DKEE C=CC1(NCc2c(Cl)ccc(Cl)c2Cl)CCCCC1 2121656946 LBRSOCSWDSQFTD-UHFFFAOYSA-N 318.675 5.625 30 10 DKEE C#CC[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CC1 2132064235 QNBPYDKCRMEXPY-NOZJJQNGSA-N 316.659 5.099 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cccc(Cl)c1Cl 2141919589 ALGYVJNIZKATBG-OAHLLOKOSA-N 300.273 5.781 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](C)Sc2sccc21 2152744371 LUCHJXIVRUTURS-VDERGJSUSA-N 307.528 5.398 30 10 DKEE CSc1ccccc1[C@@H](C)Nc1ccc(Cl)cc1C#N 2152745918 RBWIPQIDZYAEKE-LLVKDONJSA-N 302.830 5.107 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ncc(SC)s1 2164274976 WHUMFBJGURTZFC-AWEZNQCLSA-N 314.564 5.656 30 10 DKEE CCCCCCC[C@@H](NCC)[C@@H](O)c1cc(C)c(Cl)s1 2165428883 FZFKLEGLPDFKOY-UKRRQHHQSA-N 317.926 5.082 30 10 DKEE N#C[C@]1(Cc2cnc(Cl)cc2Cl)CCCCC12CCC2 2173620436 XXRMEGPYYZXLFQ-MRXNPFEDSA-N 309.240 5.185 30 10 DKEE C#CC[C@H](C)C[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2196859992 XCENTEIXLLWRSG-WFASDCNBSA-N 303.858 5.118 30 10 DKEE C=CCCCCCCCCN[C@H](C)C(F)(F)C(F)(F)F 2207411934 VDERXDHDVQYESZ-GFCCVEGCSA-N 301.343 5.079 30 10 DKEE CCCCCCC[C@H](O)c1c(C)sc(Br)c1C 2213641149 MYUWDQPZNUCXLY-LBPRGKRZSA-N 319.308 5.521 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc([C@H](C)NCCC)cc1C 2217378919 BKAGJABBXUUDNU-IBGZPJMESA-N 322.496 5.248 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1coc(Br)c1 2220082373 CGRAGAMATRGRFF-CQSZACIVSA-N 314.267 5.219 30 10 DKEE C=CCCCCCCCCOc1[nH]c(=N)c(Cl)cc1Cl 2234038638 YGZKQIXMLVTYRK-UHFFFAOYSA-N 317.260 5.096 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1ccc(Cl)cc1Cl 2289716587 FJCNJHNNGGBIMI-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE CCOc1ccc(C(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1 2294299912 AFBXLYBOKJADLH-UHFFFAOYSA-N 308.421 5.279 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CC[C@@H](C)C(F)F 2364119650 ONPWUMVWFNBVMF-VLIAUNLRSA-N 311.482 5.465 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(OC)c(Cl)s1 2365819081 KTVAQTXGSISOKC-ZDUSSCGKSA-N 317.926 5.941 30 10 DKEE CC[C@@H](CS)CO[C@H](CC)c1ccc(C(F)(F)F)cc1 2369777978 LHDSPZOXRFQWOZ-BXUZGUMPSA-N 306.393 5.129 30 10 DKEE CC1(C)CC(CS)(CSc2cccc(C(F)(F)F)c2)C1 2371132666 FBVFYDKNLTUZNC-UHFFFAOYSA-N 320.445 5.534 30 10 DKEE COc1ccccc1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 33413940 XUENGMINNLNGRC-NXVVXOECSA-N 314.384 5.258 30 10 DKEE N#Cc1cc(NCc2c(Cl)cccc2Cl)ccc1Cl 35053522 ATPCSBJXTLOHMK-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C#Cc1cccc(N[C@H](Cc2cccs2)c2cccs2)c1 37185290 BUIXXYUZZFEETL-QGZVFWFLSA-N 309.459 5.187 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(Cl)cc1Cl 59055474 BFYFVHMFRCTFFE-CYBMUJFWSA-N 302.289 6.005 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Cl)c(C(=O)OC)c1 59419313 BXDWPDBKYJIYQI-ZDUSSCGKSA-N 311.853 5.288 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H](C)Cc1cccs1 94582165 OPBSMANOSBTTRA-HNNXBMFYSA-N 313.576 5.127 30 10 DKEE CCc1cc(OCCCCCCCCCS)ccc1Cl 97799765 KFROUOGDTYCRCC-UHFFFAOYSA-N 314.922 5.942 30 10 DKEE Cc1ccc(Nc2cc(Cl)ccc2C#N)cc1C(F)(F)F 110257091 HEMUZMGHOKCMDI-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCCC[C@H](Cc1c(F)cccc1Cl)NC 112899020 NAPFKGPEXULBAS-OAHLLOKOSA-N 313.888 5.750 30 10 DKEE N#Cc1cc(F)c(Sc2cc(Cl)ccc2Cl)c(F)c1 134026138 WQGNSLYROHFWEP-UHFFFAOYSA-N 316.159 5.294 30 10 DKEE C=CCCCCC[C@H](NCC)c1cccc(Br)c1 233545468 OTDIWOMQMSZYRL-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=CCCCCCCN[C@H](C)c1cccc(Br)c1 310908077 GNRNCHJCSXFJIG-CQSZACIVSA-N 310.279 5.236 30 10 DKEE CCCCCCCCC[C@@H](C)[C@@H](N)COC(=S)CCC 585663951 MGOVLSMIYGCNFQ-CVEARBPZSA-N 301.540 5.235 30 10 DKEE C=C(C)CCOC[C@H](NCCC)c1cc(Cl)ccc1Cl 709540695 OYCBDLABZPEWLP-INIZCTEOSA-N 316.272 5.017 30 10 DKEE CC/C(=N\OC(c1ccccc1)c1ccccc1)c1ccccc1 821217458 ITAFBAVHOMAVQG-XTQSDGFTSA-N 315.416 5.607 30 10 DKEE CC1(C)CCC[C@](C)(Nc2cc(Br)ccc2C#N)C1 1877822016 DMSPZZSZRPXFBX-INIZCTEOSA-N 321.262 5.092 30 10 DKEE Cc1ccc(N[C@H](C)c2cc(Cl)sc2Cl)cc1C#N 1909663873 HCWNFPVCQKHNQM-SECBINFHSA-N 311.237 5.408 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)CC(C)(C)CS 1915086821 NECCQLIMCIDVLP-OAHLLOKOSA-N 319.539 5.267 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1ccc(Cl)c(Cl)c1 1919525776 QMZSPMQNDQTFQK-MRXNPFEDSA-N 302.289 5.614 30 10 DKEE C=C([C@H](NCCC)c1cc2cscc2s1)[Si](C)(C)C 1922341500 BFFHQAKZNFCHOA-HNNXBMFYSA-N 309.576 5.437 30 10 DKEE CCCCCCCCOCc1csc(Br)c1 1994464225 XNKMPAZBXFOSHT-UHFFFAOYSA-N 305.281 5.388 30 10 DKEE C=CCCCC[C@H](NCCC)c1cscc1Br 2009493340 HWSGLLATGJFUOX-AWEZNQCLSA-N 316.308 5.298 30 10 DKEE C=CCCC[C@H](C)N[C@H](C)c1ccc(C)c(Br)c1 2043816325 FGMPJXATWNIARK-UONOGXRCSA-N 310.279 5.153 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2081451886 KESJOLNVJQUMAA-CQSZACIVSA-N 306.664 5.654 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc(Cl)sc2Cl)CC1 2125193128 LLGXHRNBULYYEN-JTQLQIEISA-N 317.281 6.010 30 10 DKEE C=CCCCCCC[C@H](NN)c1cc(Cl)cc(Cl)c1 2141920003 CFLAQEFGSPXCDE-HNNXBMFYSA-N 301.261 5.024 30 10 DKEE CCCCCCCCCC[C@@H](CCSCC)NCCC 2164213309 WAORQFBNLRTYIU-SFHVURJKSA-N 301.584 6.029 30 10 DKEE CCNc1cccc(C#Cc2c(Cl)cc(Cl)cc2Cl)c1 2179346526 IRSHJBDBUWEZDW-UHFFFAOYSA-N 324.638 5.478 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)c(F)cc1F)C(C)(C)C 2179362798 GDVMRKHACISUDM-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE CCNc1cccc(C#Cc2cc(Cl)c(C)cc2Cl)c1 2201355845 JRAKQCNFQMUXJM-UHFFFAOYSA-N 304.220 5.133 30 10 DKEE C=CCCCCCCCCC(=O)[C@H]1SCCS[C@@H]1CC 2207410667 AKGYQKUWHWCITC-IAGOWNOFSA-N 314.560 5.490 30 10 DKEE C=C(CO[C@@](C)(CC)CCCC(C)C)B1OC(C)(C)C(C)(C)O1 2213734568 OUWZSINDJDCAMC-IBGZPJMESA-N 324.314 5.186 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(C)c(Br)o1 2220084522 JXGIFIHTVGCXSU-CYBMUJFWSA-N 315.251 5.301 30 10 DKEE CCCCCCCCCOCc1ccncc1Br 2223256153 AIMWDEGPLLGJGU-UHFFFAOYSA-N 314.267 5.111 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Br)c(F)cc1C 2259205502 NBCAVFWALIYFTR-OAHLLOKOSA-N 314.242 5.033 30 10 DKEE CCCCCCCCC[C@H](C)NCC1(Br)CCC1 2263712669 QHOAFTCSIJPPHG-HNNXBMFYSA-N 318.343 5.423 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2294988883 ZHVKBIAQNCVKRZ-GXFFZTMASA-N 305.409 5.328 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1Cl)c1cc(Cl)cs1 2295196755 IPLQBVRJSUHNIO-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE Cc1cc(C(F)(F)F)sc1C(=O)C1=CCC(F)(F)CC1 2295245277 OOLFNJKTCCBGGF-UHFFFAOYSA-N 310.287 5.004 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc(Cl)c(Cl)s1 2316752111 LJBAWUYOZMGOGD-CYBMUJFWSA-N 304.286 5.474 30 10 DKEE CCCCCOc1ccc(C=NNc2ccc(Cl)cc2)cc1 2322953231 MTLKLSFFFIOGCT-UHFFFAOYSA-N 316.832 5.355 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352818533 SBFZMBWMEDRGEM-XHDPSFHLSA-N 300.273 5.555 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2364406655 IWYOUVVQEWSZGR-MRXNPFEDSA-N 314.300 6.089 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1c(Cl)cccc1Cl 2370480997 ABRPGJUKSQOLAP-IRXDYDNUSA-N 314.300 6.027 30 10 DKEE C=CC[C@H](C)[C@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2370492301 SPELJSDOAYQUBF-GUYCJALGSA-N 314.300 5.506 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(Cl)c(C(F)F)s1 2371321336 XYJOVZMNONYOAN-UKRRQHHQSA-N 321.864 5.982 30 10 DKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1cccc(Cl)c1 37344634 ZCRSBUSUUVCRRD-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE CC1CCC(C#N)(Sc2ccccc2Br)CC1 90246256 ITUJMHJYEFMJND-UHFFFAOYSA-N 310.260 5.014 30 10 DKEE CCCCCCCOc1ccc(NCc2ccccc2C)cc1 100033492 UOKWQBVSNQFEMC-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE Cc1cc(Br)ccc1Nc1cc(Cl)ccc1C#N 110251751 OMYDEXLHBYKWDC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCCC[C@H](O)CS[C@@H](C)CC 115645823 GEEGHKFTLVJSQH-ROUUACIJSA-N 302.568 6.190 30 10 DKEE CCCCCCCCCCCC[C@H](N)[C@@H]1CSCCS1 122623454 REAMCERWFYDBIL-IRXDYDNUSA-N 317.608 5.473 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(C(F)(F)F)cn1 135353117 CMMUXFIREHANHK-OAHLLOKOSA-N 303.368 5.275 30 10 DKEE Cc1cc(C)c([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@@H]32)c(C)c1 226672308 FOSHDZGXHUQFSB-KGVIQGDOSA-N 314.432 5.310 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(C)c(Cl)s1 226678530 VQNBOVWCCBITHU-AWEZNQCLSA-N 301.927 6.111 30 10 DKEE Cc1ccc(C(=O)C2=CCCCCCC2)cc1Br 235854155 XNKGPGJJCSFPJP-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE Cc1noc(/C=C/c2ccccc2)c1N=C/C=C\c1ccccc1 254615186 YNQDRYLGPJQGDJ-MZCMMQIXSA-N 314.388 5.569 30 10 DKEE CC(C)c1cc(Br)ccc1OCC1(C#N)CCCC1 405153587 QMNBSOFBQLGPSS-UHFFFAOYSA-N 322.246 5.035 30 10 DKEE CCCCCCC[C@@H](N)c1ccccc1NC(=O)OC(C)(C)C 406713167 RRDMTLHOOXGZDK-MRXNPFEDSA-N 320.477 5.394 30 10 DKEE C[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698865141 FASDZFXKJGOIIX-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@H](N)CCc1cc(Cl)cc(Cl)c1 722115242 AXMDAHMYAANVBR-INIZCTEOSA-N 302.289 5.614 30 10 DKEE C=C1CCC(C[C@@H](NCCC)[C@@H](C)OCc2ccccc2)CC1 724616567 MPSZUCGSPASJCX-WIYYLYMNSA-N 315.501 5.096 30 10 DKEE C=C(C)Cn1c(-c2cccc(OCCC)c2)nc2ccccc21 1873522344 SGMDYQVFVWMGKO-UHFFFAOYSA-N 306.409 5.068 30 10 DKEE C=C[C@@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C1CCC1 1892931675 ARESUZNIIYDPQL-RFAUZJTJSA-N 302.220 5.138 30 10 DKEE CC(C)=C(CS[C@H]1CCC[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 1901708216 ISTVAYJUPYLSJK-GJZGRUSLSA-N 324.339 5.266 30 10 DKEE Cc1cccc(C#N)c1N(Cc1ccccc1)CC1CCCCC1 1946760628 RYRMBHHOAKSGQR-UHFFFAOYSA-N 318.464 5.454 30 10 DKEE CCCCCCCC[C@]1(N)CCCC[C@@H]1OCc1ccccc1 1977492945 XQKBKRPSDVDRPO-SFTDATJTSA-N 317.517 5.594 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(C)cc1Br 2040528266 BNMMGRKQJDEHDC-BBRMVZONSA-N 310.279 5.010 30 10 DKEE CCc1ccc(C#N)c(NCc2cc(Cl)sc2Cl)c1 2132318064 OXBSKBVYCIHOMV-UHFFFAOYSA-N 311.237 5.101 30 10 DKEE CC[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 2143834958 BXKSGENOJIFKLH-RLCCDNCMSA-N 311.256 5.116 30 10 DKEE SC[C@H](COc1ccc(Cl)c2ccccc12)CC1CC1 2169171733 ANSVPAMAKYPBKE-ZDUSSCGKSA-N 306.858 5.218 30 10 DKEE CCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@@H]1NCC 2172978909 JCVITHMACWKQIF-FUHIMQAGSA-N 301.455 5.118 30 10 DKEE C=CC1(CN[C@H](C)c2cccc(Cl)c2Cl)CCCCC1 2189519396 WNBAEOJUYPDFHM-CYBMUJFWSA-N 312.284 5.781 30 10 DKEE CCCCCCCCCCO[C@H](CN)c1ccc(Cl)s1 2239481546 DMGRHLGBHAERGX-CQSZACIVSA-N 317.926 5.559 30 10 DKEE C=C(C)CCCCOc1cc(Cl)cc(Br)c1 2244628475 HFCJQUYPTLPIIF-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(Cl)sc1Cl 2268768012 RGZFPUOPUOOKPT-GFCCVEGCSA-N 316.297 5.311 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1c(Cl)cccc1Cl 2271784838 HYHOMSVRDRYCQC-OAHLLOKOSA-N 300.273 5.781 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cccc(Br)c1C 2271796361 FHOYFWXKITZBQL-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE C#CCCCCC[C@H](NCCC)c1csc(Cl)c1OC 2284266442 ZUXVRSPPABRILJ-AWEZNQCLSA-N 313.894 5.035 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1cc2sccc2s1 2289883231 RSIHLVQPHVGPEA-AWEZNQCLSA-N 303.496 5.197 30 10 DKEE COc1ccc(Cl)cc1C=CC(=O)c1ccc2ccccc2c1 2322327953 XAIPBZUGLIBUDH-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2323126906 WHZULDCYDQKVFY-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE CCCN[C@@H](C#CC1CC1)c1c(Cl)ccc(Cl)c1Cl 2337578983 XXIYWBGTDPUUMA-ZDUSSCGKSA-N 316.659 5.101 30 10 DKEE CCCCCCCN(C)CCCc1cc(Cl)cc(Cl)c1 2366822141 AKEKSHDSYMIZSL-UHFFFAOYSA-N 316.316 5.828 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1cc(F)c(Cl)cc1Cl 2377397469 BJZNPOLRGCQAIR-BZNIZROVSA-N 318.263 5.255 30 10 DKEE CC(C)Oc1ccc(/C=N/Nc2ccc(Cl)cc2)cc1Cl 82252024 VBHNRSBWYKNCSK-VXLYETTFSA-N 323.223 5.227 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2sccc2Br)C1 87972952 RUMKSOAVKUSUND-BXUZGUMPSA-N 312.276 5.163 30 10 DKEE CCCC(CS)(CCC)CSc1ccc(F)c(F)c1 94588915 GGQNOXLZVABACB-UHFFFAOYSA-N 304.471 5.573 30 10 DKEE CCC[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 109947623 ZJZNYPCUTSOLKU-KRWDZBQOSA-N 302.780 5.304 30 10 DKEE CCCCCCCCCC[C@H](CN)Cc1ccc(Cl)cc1 110180730 XZQUPTOBRIZLPH-SFHVURJKSA-N 309.925 5.988 30 10 DKEE N#Cc1cc(Br)cc(Sc2ccc(Cl)cc2)c1 227637385 KZDNJSRRMSIXOC-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1cc(Cl)cc(Cl)c1 387716774 ZZTSYFDGNJMFKS-INIZCTEOSA-N 316.272 5.017 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC12CCCCC2 698396913 HXFIFMUBGSDHFM-LJQANCHMSA-N 320.477 5.029 30 10 DKEE Fc1ccc(C(F)(F)F)cc1-c1ccccc1C(F)(F)F 1848368159 RJYPTPMKMMFVCE-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE C=CCC(CC=C)[C@H](N)c1ccccc1OCc1ccccc1 1901011312 PZMXSJIWAZXKMS-NRFANRHFSA-N 307.437 5.034 30 10 DKEE CCCCCCC[C@]1(O)CCN(Cc2ccccc2)C(C)(C)C1 1992888123 NGRFIVRWJOTDAG-NRFANRHFSA-N 317.517 5.153 30 10 DKEE C=CCCCC[C@@H](NCCC)c1csc(Br)c1 2009493597 KMOSTOVVTIBNBY-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE CCCCCCCCCNc1cccc(F)c1Br 2029296036 YMCWWAFZCGWWMK-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE C=CCCCCC[C@H](N)c1c(F)cc(C)cc1Br 2053180867 YYRRTXGCHVROHR-AWEZNQCLSA-N 314.242 5.033 30 10 DKEE CCCC1CCC(C#N)(C[C@]2(Br)CC2(F)F)CC1 2082494051 PIRBXZHMOLYZPL-BPCQOVAHSA-N 320.221 5.049 30 10 DKEE CCC1(CC)CSC(=Nc2cc(F)c(Cl)cc2Cl)N1 2138950745 MEIMOJNHLUIETQ-UHFFFAOYSA-N 321.248 5.015 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1cc2sccc2s1 2140589525 LUEQMNOMCJZXAZ-NSHDSACASA-N 304.827 5.293 30 10 DKEE CCCCCCC[C@H](NCCC)c1csc(C(F)F)c1 2164298370 VELQGZZZTCDCHF-AWEZNQCLSA-N 303.462 6.087 30 10 DKEE C#CCCCC[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2173491694 VIQJMWHNTXEHJD-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE CCCCCCCC[C@@](C)(O)C(=O)c1sccc1Cl 2231928178 FRVWROPBOAEHJG-OAHLLOKOSA-N 302.867 5.086 30 10 DKEE N#C[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCC2(CCCC2)C1 2234060011 XMMWLAODIZDEBE-IUODEOHRSA-N 308.252 5.961 30 10 DKEE C=CCCCCCCCCOc1nc(Cl)nc(Cl)c1C 2281535309 WQTGABGIKWSMNQ-UHFFFAOYSA-N 317.260 5.387 30 10 DKEE C=CCCCCCC[C@H](OCC(=O)O)c1ccsc1Cl 2292434752 XVJUBPMAXLMBMW-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2299507722 MFQJYFACSZRJBX-AVRDEDQJSA-N 323.480 5.519 30 10 DKEE CCCCCCCCC(=O)Nc1c(N)cc(Cl)cc1Cl 2353870167 QOXXNMHSOZMIEA-UHFFFAOYSA-N 317.260 5.265 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](CC)c1ccc(Cl)c(Cl)c1 2362241017 SNXFBUZTWMBDDK-OAUYIBNBSA-N 312.284 5.779 30 10 DKEE Cc1c(C[C@@]2(C#N)CCCC(C)(C)C2)ccc(Cl)c1Cl 2364002545 SVSYYDCMBMXLAP-KRWDZBQOSA-N 310.268 5.955 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(Cl)ccc2Cl)C1 37154537 GNEPHALWVMFELB-GBIKHYSHSA-N 300.254 5.414 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Sc1ccc(Br)cc1 37156687 YWIXTRBVTQWNAN-BXUZGUMPSA-N 310.260 5.014 30 10 DKEE CCCCCCC[C@@H](NCCC)c1c(F)cc(F)cc1F 59292652 YFJSJBWBODUKGS-MRXNPFEDSA-N 301.396 5.505 30 10 DKEE C=CCc1cc(C(C)(C)CC)cc(C=O)c1OCCCCC 66117869 UJPPBUFWFFWDSM-UHFFFAOYSA-N 302.458 5.484 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)cc2Cl)CCc2ccccc2C1 87998189 CQZJDLZCICMTTP-GOSISDBHSA-N 316.231 5.235 30 10 DKEE C/N=C1/CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 100272001 MGBVAZJASCWJGJ-SJKAGUJJSA-N 304.220 5.338 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(C)c(Cl)c1 108667035 FHMQCDWLBYRYNU-UHFFFAOYSA-N 323.908 6.508 30 10 DKEE CCCCCCCCCOc1ccc(Cl)cc1C[C@H](C)N 109763778 BCEBAPHWOVVXQX-HNNXBMFYSA-N 311.897 5.359 30 10 DKEE CCCCCCCCCNc1ccc(OC(F)(F)F)cc1 110156377 INEGHASJEYUBLA-UHFFFAOYSA-N 303.368 5.748 30 10 DKEE N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2Cl)c(F)c1 111042500 FQRJNFALMGJARR-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCC[C@@H](NN)c1csc2ccccc12 122231265 VWXZRPWDTZQUMW-QGZVFWFLSA-N 304.503 5.546 30 10 DKEE C=C(CNc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 148004440 PASWQCYNTJUNCX-UHFFFAOYSA-N 311.734 5.484 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccccc1SC 157890823 KZQSLUFNLUYPMR-SFHVURJKSA-N 307.547 6.200 30 10 DKEE Cc1ccc(C)c(Sc2ccc(C(F)(F)F)c(C#N)c2)c1 164512916 RITPSJXIUJBGIL-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CCSc1cccc(N[C@@H](CC)C2CCCCC2)c1C#N 167593766 NHHSYIJCXBINPZ-INIZCTEOSA-N 302.487 5.441 30 10 DKEE CCCCCCCCCCC[C@H](O)COCc1ccccc1 196309302 JWCNZDWUIKSVJI-FQEVSTJZSA-N 306.490 5.485 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(Br)c(C)c1 229753644 UWCVNNSPABLLNY-INIZCTEOSA-N 310.279 5.155 30 10 DKEE ON=C1CCCCCCCCCC[C@@H]1n1cnc2ccccc21 254556517 GQYSIHBPUVRNGW-IBGZPJMESA-N 313.445 5.322 30 10 DKEE CC[C@@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698372021 ABPUQBMIBRMGHH-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCC(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698872391 YRQHKDVVKIUHRC-MRXNPFEDSA-N 316.445 5.065 30 10 DKEE CC[C@H](C)C[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 698913326 ZVZWTKKWBBEMKZ-HNAYVOBHSA-N 322.493 5.275 30 10 DKEE C=CCCC(C)(C)CN[C@H]1CCc2cc(Br)ccc21 704007113 YELFISUQGXWARF-INIZCTEOSA-N 322.290 5.018 30 10 DKEE C=CCCCOC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 709584008 RQONEFAUFRIAEJ-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@]1(C#N)CCCCCC1(C)C 719202327 BCVNSGCDPUJVOW-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCCCCCCCCCC[C@@H](N)COCc1ccccc1 1934527376 HFXOOEFVTDCEDU-HXUWFJFHSA-N 305.506 5.451 30 10 DKEE C=CCCCCC[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 1948984317 XXTTVTCPQIYWBO-JOCHJYFZSA-N 323.480 5.576 30 10 DKEE C=CCCC(C)(C)CN[C@@H]1CCCC[C@H]1OCc1ccccc1 1977459298 CQMYRFUWLGSLPA-WOJBJXKFSA-N 315.501 5.096 30 10 DKEE C=CCC[C@H](C)[C@]1(O)CCC(C)(C)C[C@H]1OCc1ccccc1 1977461643 LMFJMXMEPASAKA-FBBABVLZSA-N 316.485 5.115 30 10 DKEE C=CC1(C[C@H](O)c2ccc(OCc3ccccc3)cc2)CCC1 1980021984 KUFPYKGHZDALKF-FQEVSTJZSA-N 308.421 5.045 30 10 DKEE C=CC1CC(Nc2ccc(Br)c(Cl)c2Cl)C1 1985621342 SLZSNQBDLITXKY-UHFFFAOYSA-N 321.045 5.132 30 10 DKEE C=CCCCC[C@@H](O)c1ccc(Br)c(Cl)c1F 2009528667 KFQCRNSNYHDYTA-LLVKDONJSA-N 321.617 5.021 30 10 DKEE C#CCCCCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2038531054 RHJFCWJGJTZVEL-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H](O)c1ccc(Cl)s1 2148601532 OPGJQRUZNYSMOW-XJKSGUPXSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1ccc(SC)s1 2149704593 ZUTFDYZFYPXNOD-MRXNPFEDSA-N 314.516 5.213 30 10 DKEE CCCCCCCCCC[C@]1(C(=O)O)CCS[C@@H](C)C1 2159712521 NSXRIHWMFMOAHH-RDJZCZTQSA-N 300.508 5.504 30 10 DKEE N#Cc1c(Cl)cccc1N1CCCC[C@H]1c1cccs1 2171824817 VOBDYNZMTUTLMQ-HNNXBMFYSA-N 302.830 5.005 30 10 DKEE CCc1ccc(N=C2N[C@@H](c3cccs3)CS2)cc1Cl 2175636396 LMONSKMOCFBPBS-CYBMUJFWSA-N 322.886 5.029 30 10 DKEE C=C(Cl)C[C@H](CCCCCCCCCCCCC)NC 2177835021 HQFGISKNFTXVCS-SFHVURJKSA-N 301.946 6.418 30 10 DKEE CCCCCCCCCCN1CCS[C@H](C(F)(F)F)C1 2195682614 RJWGGBYLLLLBMH-AWEZNQCLSA-N 311.457 5.107 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCC)c1cc(-c2cccs2)cs1 2196859039 QQYOGPYPKVDAIK-UKRRQHHQSA-N 303.496 5.177 30 10 DKEE CN[C@@H](CC#C[Si](C)(C)C)c1ccc(-c2cccs2)s1 2205877099 PDBZLNKLAFAHEK-ZDUSSCGKSA-N 319.571 5.008 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)s1 2220093477 RAEMGEQRZDUVAC-GFCCVEGCSA-N 306.302 5.971 30 10 DKEE CCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)NC 2240476862 CAHHMEPYVAHVCI-LBPRGKRZSA-N 303.359 5.303 30 10 DKEE C=C(C)CCCC[C@H](N)c1sc(Br)c(C)c1C 2250165921 BWISFAVKDKQMFY-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2271790540 FCZVSUNRYKKFNB-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE O[C@H](CC#CC1CCCC1)c1c(Cl)ccc(Cl)c1Cl 2274170226 DKPTTXWAXSSLNB-CYBMUJFWSA-N 317.643 5.264 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(Cl)c(OC)cc1Cl 2281522391 IQBXYQANXCGPDZ-BZNIZROVSA-N 316.272 5.255 30 10 DKEE Cc1ccc(NCC=CC#CC(C)(C)C)c(Br)c1C 2336622611 CVMXCWWXWNBJPK-UHFFFAOYSA-N 320.274 5.084 30 10 DKEE C=CC[C@H]1CCC[C@@H]1Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2362236423 CFWCMMGTYKSQRH-CABZTGNLSA-N 315.200 5.058 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1C 2364409889 YAOQAFJYHFLOTO-MRXNPFEDSA-N 314.300 6.218 30 10 DKEE Cc1c([C@H](C#N)Nc2ccc(F)cc2)ccc(Cl)c1Cl 2366018154 CHUSSOYFVMJWSK-AWEZNQCLSA-N 309.171 5.118 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2370483267 SEFWWDPOHORDIR-HNNXBMFYSA-N 318.263 5.776 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2370605088 XWOOHNQCRHORGD-ZIAGYGMSSA-N 306.755 5.385 30 10 DKEE N#Cc1cccc(N[C@H](Cc2cccs2)c2cccs2)c1 37203310 MWFFSBYUBSCBPH-MRXNPFEDSA-N 310.447 5.077 30 10 DKEE CCCCCCCCCCCC[C@@](C)(O)CC(OC)OC 91467070 MGEHLMYWXWBWHE-GOSISDBHSA-N 302.499 5.057 30 10 DKEE CCCCCCCCCC[C@H](CS[C@@H](C)CC)NCCC 115646064 LSCXRCRZRSEWLG-RBUKOAKNSA-N 315.611 6.417 30 10 DKEE CCCCCCCC(=O)c1c[nH]c2cccc(Br)c12 134907832 KGWHHECMTAZTNO-UHFFFAOYSA-N 322.246 5.474 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@]1(C)CCCS1 135570759 WIWWQFNBTUFHNQ-ZWKOTPCHSA-N 300.552 5.944 30 10 DKEE CCCN[C@H](C)c1ccc(-c2ccc(C#N)s2)cc1Cl 167298406 PVJGRDHPMSSSPE-LLVKDONJSA-N 304.846 5.001 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(F)cc1C(F)(F)F 167429337 FFYGQOCBPLQVLD-OAHLLOKOSA-N 306.343 5.629 30 10 DKEE CCSc1cccc(N[C@H](C)Cc2ccc(C)s2)c1C#N 167598842 YLKRQKMXSQCUFK-GFCCVEGCSA-N 316.495 5.083 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@H]1C[C@H](C)Sc2sccc21 216893925 QAMBHGOJNJTVTK-VFZGTOFNSA-N 318.442 5.105 30 10 DKEE N#Cc1cccc(Nc2c(Cl)cc(Cl)c3c2N=S=N3)c1 227620695 DEIPVQXPWPKZGQ-UHFFFAOYSA-N 321.192 5.335 30 10 DKEE CCCCCCCC[C@H](O)c1cccc(OC(F)(F)F)c1 229471462 KCAWPSTVKBTLKQ-HNNXBMFYSA-N 304.352 5.369 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 309827084 FEQOMOFUFFCMOY-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE CCCN(Cc1ccccc1)CC(CS)(CCC)CCC 384402778 CCOQENRGRKUCEO-UHFFFAOYSA-N 307.547 5.415 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCCC1 698483610 KGDUHXFIQFNVER-OAHLLOKOSA-N 308.466 5.029 30 10 DKEE CCCCCCCN(C)Cc1c(Cl)cc(C)nc1Cl 1887060354 BDHGDLCYXFWUML-UHFFFAOYSA-N 303.277 5.099 30 10 DKEE CC[C@@](C)(C#N)[C@H](O)c1ccc(-c2ccccc2Cl)s1 1921043881 AXRCIQBQQPHVQE-CVEARBPZSA-N 305.830 5.042 30 10 DKEE N#C[C@]1(Cc2cccc(Cl)c2Br)CCC12CCC2 2047962158 NSUGBCZFFFBBEF-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE C=CCCCC[C@H](NCC)c1ccc(C)c(Br)c1 2059112541 UYMQDZVSPYVHAT-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2ccccc2Br)CC1 2061195891 OCOJITBZKQZDMF-LBPRGKRZSA-N 307.231 5.014 30 10 DKEE CCCCCCCC[C@@H](NC)c1c(Cl)cncc1Cl 2107775915 JNRTYGVTFOTQLF-CQSZACIVSA-N 303.277 5.400 30 10 DKEE CCCCCCC[C@@H](NCCC)c1nn(C)c(Cl)c1Cl 2150720648 PCEGEODMHJUAHV-GFCCVEGCSA-N 320.308 5.128 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc2c(s1)CCSC2 2158321478 UWYTZICIIGVFKY-GUYCJALGSA-N 309.544 5.180 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(C(F)(F)F)c(Cl)c1 2179676326 FJCVCFFDZJGEHH-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=C([C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC)C(C)(C)C 2203973615 HLQTUMDCFAWOJN-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=CCCCCCCCC[C@H](N)c1c(Cl)cncc1Cl 2207427410 MIUPRKVHXQIWOX-HNNXBMFYSA-N 315.288 5.695 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2228029021 YZIQZKQEFDLNHR-LBPRGKRZSA-N 312.162 5.152 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc(C(F)F)cs1 2287374082 BIVQVJPQUHAZHS-CQSZACIVSA-N 301.446 5.863 30 10 DKEE CCCCCCCCC[C@H](C)Nc1cccc(Cl)c1Cl 2295670731 ISNYQBMQJZUVBY-AWEZNQCLSA-N 316.316 6.935 30 10 DKEE C=CCCCCCC[C@@H](NC)c1nc(C(C)(F)F)cs1 2296184809 UXQSSLSFYIERHI-GFCCVEGCSA-N 302.434 5.042 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cscc1Br 2304062643 NTQXVZMQAOKJAN-ZIAGYGMSSA-N 316.308 5.154 30 10 DKEE CCCCCC=CCC=CCC=CC[C@@H]1O[C@@H]1CCCC(=O)O 2333257250 VBQNSZQZRAGRIX-RBUKOAKNSA-N 320.473 5.428 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cc(Br)ccc1C 2344357250 QIBHSNDRLWUHCB-INIZCTEOSA-N 324.306 5.401 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1sc(Cl)cc1OC 2344395190 IILASMCOCUEVKB-AWEZNQCLSA-N 301.883 5.053 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1c(Cl)cccc1Cl 2365070188 IIAKHGWCUJDXQW-WFASDCNBSA-N 310.268 5.084 30 10 DKEE C=CCc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 205981 RUGCWBUAQZRJAO-UHFFFAOYSA-N 316.356 5.243 30 10 DKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(C(C)(C)C)cc1)O2 39842616 DFQKJENPTAVSBE-UNOMPAQXSA-N 306.405 5.217 30 10 DKEE C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 85994047 YGBZFOQXPOGACY-WACWDDGLSA-N 302.458 5.372 30 10 DKEE N#Cc1cccc(OCCSc2ccc(Cl)c(Cl)c2)c1 88304079 VOPQCHDBBODMRW-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE SCCCCCCCCCN1CC[C@H](c2ccccc2)C1 97799081 NXFXKGOMXHCQNE-IBGZPJMESA-N 305.531 5.136 30 10 DKEE SCCCCCCCCCOc1cccc2ccccc12 97799672 WNDPEFCHZWBRMQ-UHFFFAOYSA-N 302.483 5.879 30 10 DKEE CCCCCCCCOc1ccccc1[C@@H](C)NCC(C)(C)C 100047892 XRVHJHKLLHUFOM-GOSISDBHSA-N 319.533 6.123 30 10 DKEE CCCCCCCOc1c(CNC2CCCC2)cccc1OC 100128036 VVWSKVHLOBTWJD-UHFFFAOYSA-N 319.489 5.077 30 10 DKEE CCCCCCCC[C@@H](O)Cc1c(Cl)cccc1Cl 103940600 WBVANQHZRIOWOV-CYBMUJFWSA-N 303.273 5.647 30 10 DKEE Cc1ccc(Nc2ccc(Cl)cc2C#N)cc1Br 110259361 GKNZNIWQWQAIHC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@@H](C)/C=N/c1ccccc1C(=O)OC 111408867 JOJBHOQXBDBUST-GFXBCDTMSA-N 317.473 5.952 30 10 DKEE CCCCCCCCC[C@H](N)Cc1csc2ccccc12 132875735 JXSLEPSNDSXDMX-KRWDZBQOSA-N 303.515 5.912 30 10 DKEE CCCCCCCCCCCCCCNC(=O)c1ccccc1 138915945 DYWPNQDJXADTGO-UHFFFAOYSA-N 317.517 6.118 30 10 DKEE CCCCCCCNc1ccc(NC(=O)OC(C)(C)C)cc1 227595299 QKWUBSRWQJPFLR-UHFFFAOYSA-N 306.450 5.416 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@H]1SCCS[C@@H]1CC 233124554 OSKYZIJMMBGUMT-GVDBMIGSSA-N 315.592 5.118 30 10 DKEE Cc1cc(C=Nc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 254797976 QRTOADIKXRTTJK-UHFFFAOYSA-N 310.347 5.123 30 10 DKEE CC1(C)OB([C@@H]2C[C@H]2c2cc(Cl)sc2Cl)OC1(C)C 306853982 ULXHNCKNLLAXGV-IONNQARKSA-N 319.062 5.005 30 10 DKEE CC(C)c1cc(Br)ccc1OCCCCCC#N 385367566 JVPGKVSLOWUCHU-UHFFFAOYSA-N 310.235 5.035 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H](C)OCc1ccccc1 404348135 NKWBTTQFZVPFMN-ICSRJNTNSA-N 305.506 5.450 30 10 DKEE C/C=N/N(c1ccccc1)C(c1ccccc1)c1ccccc1 585668886 UBBAOSCNKXXHGS-QOABUSIESA-N 300.405 5.288 30 10 DKEE CCCC[C@H](CC)COC(=O)[C@H](S)[C@H](CCC)CCCC 585670209 KBNKGAPTANRYDF-GVDBMIGSSA-N 316.551 5.651 30 10 DKEE CCCCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C(C)C 698369271 BDBLUJDZIJBSDV-KRWDZBQOSA-N 324.509 5.665 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)CC1CCCCCC1 698406002 IWPUYGJTDNEZPX-WBVHZDCISA-N 322.493 5.275 30 10 DKEE CC(C)C[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698875887 RYKRGJXREXEZKG-LJQANCHMSA-N 322.493 5.275 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(F)cc1C1CC1 1901157701 RCVYXPWAKBSEQE-UHFFFAOYSA-N 309.428 5.281 30 10 DKEE SCCCCCCSCc1cccc(Br)c1 1902050402 HKCSROYMZCKKAG-UHFFFAOYSA-N 319.333 5.173 30 10 DKEE CC(C)(C)[C@H](CS)CN(Cc1ccccc1)CC1CCCC1 1931882227 QRKLFLKUPQXDHX-IBGZPJMESA-N 319.558 5.271 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)c1ccc(C#N)cc1Cl 1932044654 DNLZUMCJJWEYBP-UHFFFAOYSA-N 312.844 5.264 30 10 DKEE C=CCCCCCC[C@@H](N)c1sccc1Br 1995178198 SCMLGHCZGKUAIB-GFCCVEGCSA-N 302.281 5.037 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(C)c(C)cc1C 2000352789 MGAMDAGIQAPSQL-JOCHJYFZSA-N 323.480 5.035 30 10 DKEE O=C(C=C1CCCCC1)C1CC2(CC(OCc3ccccc3)C2)C1 2007973670 HFGOJZXNVCEOSE-UHFFFAOYSA-N 324.464 5.222 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cc(Cl)c(Cl)s1 2045992566 MBVMQDABQOZCFN-WCQYABFASA-N 306.258 5.198 30 10 DKEE C=CCCCCCC[C@@H](N)c1c(F)cccc1Br 2085838506 DOYRDDVVSNPMFG-CQSZACIVSA-N 314.242 5.115 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 2096544559 HONNWBYWHJHAQQ-WDEREUQCSA-N 304.236 5.528 30 10 DKEE C=C(CC)C[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164167551 DEJNLQXFKSGXRG-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1scnc1Cl 2164280105 YMENODHEXPILIL-CQSZACIVSA-N 316.942 5.978 30 10 DKEE CC1(C)CCC[C@](C#N)(C(F)(F)[C@@H](F)C(F)(F)F)CC1 2175178394 ZZHCKIQBBJFQLM-KOLCDFICSA-N 301.274 5.022 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1cncc(Cl)c1 2175931143 AFYKHBWDJYDAPE-LBPRGKRZSA-N 304.846 5.186 30 10 DKEE CCCCCC#CCNc1ccc(SC(F)(F)F)cc1 2203787709 PVJYTGGBAZAGID-UHFFFAOYSA-N 301.377 5.294 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1c(Cl)cccc1Cl 2231575853 XHZJHASBIDRQET-CHWSQXEVSA-N 300.273 5.116 30 10 DKEE CCCCCCCOc1c(Cl)cc(C[C@@H](C)N)cc1Cl 2296287465 WVLXTKNQOBLXMP-GFCCVEGCSA-N 318.288 5.232 30 10 DKEE C=C([C@H](NCC)c1csc(C)c1Br)C(C)(C)C 2303637974 MWJQQAWFEAKRKO-ZDUSSCGKSA-N 316.308 5.072 30 10 DKEE COc1ccc2ccccc2c1C=C1CCc2ccccc2C1=O 2313540477 CCKGHZJIVCKRGM-UHFFFAOYSA-N 314.384 5.061 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(Br)cc1 2321102253 PLYRYPYMNYGIIR-HZPDHXFCSA-N 310.279 5.092 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)Cc1cc(F)c(Cl)cc1Cl 2349893632 QYPNKJWRCMRELQ-HUUCEWRRSA-N 305.220 5.028 30 10 DKEE CCCCCCC[C@@H](N)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2365972201 YNTFWBOVESPTHV-ZBFHGGJFSA-N 318.288 5.023 30 10 DKEE CC(C)(C)C#CC=CC[C@H](N)c1c(Cl)cc(F)cc1Cl 2366406171 AAMACIODDBRFPP-AWEZNQCLSA-N 314.231 5.128 30 10 DKEE CCCCCCC[C@H]1CC/C(=C/c2ccc(SC)cc2)C1=O 2157566 XHUOHCWQWJSYPL-LXMVLSBBSA-N 316.510 6.132 30 10 DKEE CCCCCOc1ccc(/C=C2\Cc3ccccc3C2=O)cc1 3895314 XZSCEOWFUWSPMC-NBVRZTHBSA-N 306.405 5.078 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2c(Cl)cccc2Cl)CC1 91880790 RNJBLMVDSUNDEE-CQSZACIVSA-N 312.240 5.137 30 10 DKEE CCC[C@H]1CCC(=O)N(CCCCCCCCCS)CC1 97799994 OZYBAJXKZRWEFH-KRWDZBQOSA-N 313.551 5.076 30 10 DKEE Cc1ccc(N/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 101512988 XPWKUPYPYWHIRZ-ZHACJKMWSA-N 321.807 5.610 30 10 DKEE CC1=C(C)SC(=C2CCC/C(=C/c3ccccc3)C2=O)S1 103010143 AKGFWOKGRJLUCV-PTNGSMBKSA-N 314.475 5.766 30 10 DKEE CCCCCCC[C@](C)(C#N)Nc1ccccc1Br 103967397 OLHZUNDGJUBLAA-MRXNPFEDSA-N 323.278 5.504 30 10 DKEE CC[C@@H]1CCC[C@@H](Nc2ccc(Br)cc2C#N)CC1 132277085 KDYBPNZXHKCUTI-IUODEOHRSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCC[C@H](NCCC)c1scnc1C 143438112 XFLXFZQCHOBJJC-KRWDZBQOSA-N 310.551 6.023 30 10 DKEE N#Cc1cc(Br)ccc1Nc1ccc2ccccc2c1 229171154 SCFHHJYSYJITKM-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Br)cs1 233607014 HZZSSUGEPCQEEL-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C=CC[C@H]1N(C(=O)OC(C)(C)C)CCCC[C@@]12CC=CCC2 238080203 RRFRRVGRIPTXGP-APWZRJJASA-N 305.462 5.079 30 10 DKEE CCCCCCc1ccc(N=Cc2ccc(OCC)cc2)cc1 254794077 ATRVTFBOCUFZBR-UHFFFAOYSA-N 309.453 5.959 30 10 DKEE C=CCCCCCCNCc1ccc(OCc2ccccc2)cc1 310385092 DJHIPKQARURMRU-UHFFFAOYSA-N 323.480 5.492 30 10 DKEE C=CCCCCCCN[C@@H](CC)c1cccc(Br)c1 312056399 FTCHPTAZJGNJKD-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE CCCCCCCC[C@H](Cc1sccc1Cl)NCC 394204595 SMLQUHICYNIZFM-CQSZACIVSA-N 301.927 5.673 30 10 DKEE CCCCCCCC[C@H](NCCC)C(F)(F)C(F)(F)F 692569717 BQDBOLRLJXJTRD-LBPRGKRZSA-N 303.359 5.303 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC(C)(C)CC[C@@H]1C 713094976 SJVAKVCKJSYFEL-YZVOILCLSA-N 322.493 5.131 30 10 DKEE CSc1cc2sc(CC#N)cc2cc1SC(F)(F)F 725318602 RPSNXUVZXUPKQK-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE Fc1ccc(CO/N=C(/c2ccc3c(c2)CCCC3)C2CC2)cc1 821228842 CCRSZEDVNUILET-XTQSDGFTSA-N 323.411 5.035 30 10 DKEE CC(C)c1ccc(/C(=N/OCc2cccc(F)c2)C2CC2)cc1 821230097 ZDBDHPLTUHJXGS-XDOYNYLZSA-N 311.400 5.280 30 10 DKEE O=C[C@@]1(Cc2cc(Cl)sc2Cl)CCCCC12CCC2 1883040619 WIDULKQVEPEGQC-HNNXBMFYSA-N 317.281 5.527 30 10 DKEE C=C([C@@H](NCCC)c1scc(C)c1Cl)[Si](C)(C)C 1922870917 WJUNLDQWMARXDU-CYBMUJFWSA-N 301.959 5.184 30 10 DKEE C=C(C)CC[C@@H](C)n1c(S)nc2cc(Cl)c(Cl)cc21 1925044507 TUUDKEJVIGVNCS-SECBINFHSA-N 315.269 5.549 30 10 DKEE CCCCCCC[C@H](O)c1cc(Br)sc1CC 1943031117 SBLXCMMAEUYDQH-LBPRGKRZSA-N 319.308 5.467 30 10 DKEE C=C([C@H](NCCC)c1csc(Br)c1)C(C)(C)C 1947441444 XCIAFMQJLDPQKA-ZDUSSCGKSA-N 316.308 5.154 30 10 DKEE CCCCCC#CCNc1cccc(Br)c1Cl 2024351363 HKBYJOWKZHNXAB-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE CCn1c(C)c(C=N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc21 2040464841 HWTLFJFPPLEFEW-QSOKESPWSA-N 308.469 5.213 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(C)ccc1Br 2085856482 MZNZFPQVNJHISQ-INIZCTEOSA-N 310.279 5.284 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)cc(F)c1F)C(C)(C)C 2152943311 NVEBPLKHGNHROM-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE CCCCCCC[C@H](NCC)c1c(F)ccc(Cl)c1F 2164184970 XCSHLKVETISIBB-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE CCCC[C@](C#N)(CC)[C@@](C)(O)c1ccc(Cl)cc1Cl 2164479363 GHIFPTYJOWMRTM-HOTGVXAUSA-N 314.256 5.311 30 10 DKEE CCCCCCCCCCCCC(=O)CCCCSC 2172976745 AZTWDHSKDWXGOK-UHFFFAOYSA-N 300.552 6.400 30 10 DKEE CCCCC#CCC(=O)c1cccc(SC(F)(F)F)c1 2203877237 KBFHULWLANCPGL-UHFFFAOYSA-N 300.345 5.065 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203957687 QTKVIZDFFNRADQ-ZDUSSCGKSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCOC[C@H](NC)c1ccc(Cl)s1 2239462923 LQIZAPXJNAXHCZ-AWEZNQCLSA-N 317.926 5.429 30 10 DKEE CCCCCCCCCCOCc1nc(Cl)ccc1Cl 2239487370 PMACIMCCOPWTAV-UHFFFAOYSA-N 318.288 6.046 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccccc1NC(=O)OC(C)(C)C 2244624743 RLTYFUSSIOGHBQ-INIZCTEOSA-N 318.461 5.170 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(F)c(F)c1Br 2259235152 LGZYXHYUTXWLMD-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE FC1(F)CCCC[C@@H]1CSCC1(CS)CCCCCC1 2283147937 DADYAXZKAVJGAN-CQSZACIVSA-N 322.530 5.816 30 10 DKEE COc1ccc2ccccc2c1C(=O)C=Cc1ccc(Cl)cc1 2297449839 TTZHCWCWWPGPBD-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE C=C(F)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341123356 ZLUKZKZVSNJPCL-OAHLLOKOSA-N 304.236 5.168 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccc(Cl)c(C)c1Cl 2365687620 ZPRBDFSXGDBIMW-ZDUSSCGKSA-N 316.316 6.853 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(F)ccc2Br)C1 87972901 ZAXLPPYQMDVWSE-WBMJQRKESA-N 324.237 5.241 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccc(F)cc1Cl 109744252 FHPWSNFDBPCHJX-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCC[C@H](O)c1c(F)cccc1Cl 115652022 WUQZZDYNEQXEEX-INIZCTEOSA-N 300.845 6.043 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc2ccccc2s1 122220113 BPUAIUPRCNNDTB-INIZCTEOSA-N 304.503 5.546 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H](C)Oc1cccc(Cl)c1 135350692 YKXAVXQFPUUEBA-CRAIPNDOSA-N 312.881 5.609 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1ccc(CC)s1 161137705 ONWBCAAJXAFASO-KRWDZBQOSA-N 309.563 6.101 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc(Cl)ccc1C 162320164 HJFXSXHPARVIGD-IBGZPJMESA-N 309.925 6.440 30 10 DKEE CC[C@H](Nc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 234039646 VMANRYPZRNIIGR-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE CC1(C)C[C@H]2C[C@@](C)(C[C@H]2CC(=O)[C@H](C#N)c2ccccc2)C1 256044892 XCDDSVQWOOULJE-BMQTXXJKSA-N 309.453 5.105 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Sc1cc(Cl)cc(Cl)c1 306097353 NFNQGCUMEUCWPM-IINYFYTJSA-N 300.254 5.558 30 10 DKEE CCCCCCC[C@H](O)c1cccc(Cl)c1C(F)(F)F 393421344 NNWLWVNIWITDFW-ZDUSSCGKSA-N 308.771 5.753 30 10 DKEE C=CCC[C@@H](C)Nc1ccc2ccccc2c1Br 396816354 HCENSIJXMDTRHO-GFCCVEGCSA-N 304.231 5.369 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cccc(Br)c1 686678364 OITXPHYGCLEYAL-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CC[C@](C#N)(C1CC1)N(C(=O)OC(C)(C)C)C1CCCCCC1 710715954 JFPMXKYVBBCJIO-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=C1CCC(CC(=O)c2cccc(C)c2Br)CC1 724584389 QWHTVZWPAFQEEP-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE CC/C(=N\OCc1ccccc1Cl)c1ccc(F)c(C)c1 821223738 AFTQCRKEFWUWTC-LVZFUZTISA-N 305.780 5.118 30 10 DKEE Fc1cc(-c2ccccc2OC(F)(F)F)cc(C(F)(F)F)c1 1848363751 OAAFCTGGMORTOL-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(C)cc1CNC(C)(C)C 1914937911 VRALLQZKYQHVBQ-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=CCC[C@H](O)c1ccc(-c2ccc(Br)cc2)s1 1919664808 QONOMSGGUIXIGX-ZDUSSCGKSA-N 323.255 5.177 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1(C)CCCCC1 1975571453 RTJGSGVDXRGPMR-BEFAXECRSA-N 322.493 5.275 30 10 DKEE C=C1CC[C@@H]2[C@]3(C)C[C@@H]3CC[C@]2(C)[C@H]1CCC(C)=CC(=O)O 2069385984 PCLDEDSUWNZZDJ-HROONELDSA-N 302.458 5.206 30 10 DKEE CC(C)c1ccc([C@@H](C)n2nc(-c3ccccc3)cc2C#N)cc1 2070123624 NTDVFBNVGVDZON-MRXNPFEDSA-N 315.420 5.154 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2102477469 PMVNQEFISKRWRE-HOCLYGCPSA-N 322.290 5.073 30 10 DKEE N#Cc1c(Cl)cccc1Nc1cc(F)c(Cl)cc1Cl 2139002894 PHHMOPADUCKMGJ-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCCCCCNCCC1SCCS1 2142405581 YJUBVMATHLBYLX-UHFFFAOYSA-N 301.565 5.079 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 2146989180 HMAVGSMQMFIIIO-INIZCTEOSA-N 317.256 5.347 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(-c2cccs2)cs1 2164038019 ALMSIWLPPQRZEZ-OAHLLOKOSA-N 307.528 6.227 30 10 DKEE CC#CCCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2196169588 HSFLYGWSAPBENM-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE C=CC[C@@](C)(NCc1ccc(-c2cccs2)s1)C(F)F 2205877711 VVONCTHRKCAAIU-OAHLLOKOSA-N 313.438 5.166 30 10 DKEE CCCCCCCC[C@@H](C)NCCCN(C)Cc1ccccc1 2212668183 UCXBGGMVVSPLRP-HXUWFJFHSA-N 318.549 5.237 30 10 DKEE Cc1sc(C(=O)C2=CC[C@H](C)CC2)c(Br)c1C 2215935266 JSDGIKHKLAVMBS-QMMMGPOBSA-N 313.260 5.057 30 10 DKEE CCCN[C@@H](C#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2218427551 NEDBDEHAXWLBFI-NSHDSACASA-N 304.286 5.145 30 10 DKEE N#C[C@]1(Cc2cscc2Br)CCCCC12CCC2 2220068000 SKZUZPNSBXOVTE-OAHLLOKOSA-N 324.287 5.307 30 10 DKEE C[C@@H](Nc1c(Br)cccc1C#N)C1CCCCCC1 2269732244 QBMSMUDZGSQMHA-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@@](C)(CSCCC)OCCCN 2293412663 DSTFIZNZBRLUNS-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE C=CCC(CC=C)C(=O)c1sc(Br)c(C)c1C 2301118849 IAKWYNMKTJWVCO-UHFFFAOYSA-N 313.260 5.079 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1sc(Br)c(C)c1C 2304053569 WQNGHQDGSWGCQS-AWEZNQCLSA-N 315.276 5.303 30 10 DKEE COc1ccc(-c2csc(N=CC=Cc3ccccc3)n2)cc1 2313504819 CSKMRFRKVMSVHQ-UHFFFAOYSA-N 320.417 5.234 30 10 DKEE CC[C@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2324714640 ZJTWETZETLERAP-AWEZNQCLSA-N 322.404 5.097 30 10 DKEE CCCCCCCCCNc1ccc(Cl)c(C)c1Cl 2340133283 NTZOKZSRZHUSGP-UHFFFAOYSA-N 302.289 6.464 30 10 DKEE CCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1C 2364413547 AIUDWCKCERTKBT-OAHLLOKOSA-N 312.284 5.392 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1csc(C(F)(F)F)c1 2370524642 HCZQAZHPLVIKFG-ZIAGYGMSSA-N 305.409 5.410 30 10 DKEE C=CC/C=C/C/C=C/CCCCCCCc1cc(O)cc(O)c1 5157592 OOXBEOHCOCMKAC-AOSYACOCSA-N 314.469 6.060 30 10 DKEE endogenous,in-man Cc1cccc2c(/C=N/Cc3ccccc3)c(-c3ccccc3)[nH]c12 58834456 BRZBRCRJMDEFHQ-LFVJCYFKSA-N 324.427 5.762 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2sccc2C)c(C)c1 83193650 QAMGBLGDDCGBJW-VOTSOKGWSA-N 314.450 5.358 30 10 DKEE CCCCCCCC[C@H](O)Cc1cccc(Br)c1 109713132 XLIKZCALFWUHFU-INIZCTEOSA-N 313.279 5.103 30 10 DKEE CCCCCCCCOc1c(Br)cccc1C=O 110311203 XBEKHRUIOLWWDL-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CCCCCC[C@@H](C)Nc1ccc(Br)cc1C#N 132187376 ANALQNRZUCRFMY-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE C[C@H]1CC[C@@](C)(/C(O)=C\C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 135954566 ZPWDPOBPQQLWEE-PMWPJCBESA-N 320.517 5.922 30 10 DKEE N#CC1([C@@H](O)c2ccc(Cl)c(Cl)c2)CCCCCCC1 156800237 PUBYGWSFUWDRTC-HNNXBMFYSA-N 312.240 5.281 30 10 DKEE CCCCCCCCN[C@H](C)c1sccc1Br 160811192 SBKKHXYMIKIAIT-GFCCVEGCSA-N 318.324 5.522 30 10 DKEE CCCCCCCCCCC[C@@H](NCCC)c1ccsc1 167942357 GTXWWRMIJSTSGR-LJQANCHMSA-N 309.563 6.710 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2c(Cl)cccc2Cl)C1 218323496 SPEPAHAMMBPUDI-RLCCDNCMSA-N 312.240 5.137 30 10 DKEE CC(C)(CCC#N)CNc1ccc(C(F)(F)F)cc1Cl 229681367 NDZJITFYQSOUJF-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE C=C(CNc1cc(Br)c(F)cc1C)c1ccccc1 232100519 KFRIBYBMCKNZRS-UHFFFAOYSA-N 320.205 5.022 30 10 DKEE c1ccc(N=C2c3ccccc3-c3nc4ccccc4cc32)cc1 254759560 UWTCJPZYQZEGDV-UHFFFAOYSA-N 306.368 5.384 30 10 DKEE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)cc1Br 691073675 IDUNIMUTSOIWAA-HIFRSBDPSA-N 321.262 5.092 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC12CCCC2 698377683 UEDOYGDTHAPBFO-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CC1 698846189 YDGLLCYTYSBHFK-GOSISDBHSA-N 308.466 5.029 30 10 DKEE CC[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698913750 FOBZVSVMYJWOCH-SWLSCSKDSA-N 322.836 5.020 30 10 DKEE CCCCCCC[C@@H](N)c1c(Cl)cccc1C(F)(F)F 712548078 LUQQZOFMNZTLJD-CYBMUJFWSA-N 307.787 5.719 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc(Br)ccc2C)CC1 724549140 LOIPPMFHOQISKS-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CSc1ccccc1N=Cc1ccc(N2CCCCC2)cc1 1084285258 TWVUQUYYRHUPAZ-UHFFFAOYSA-N 310.466 5.149 30 10 DKEE C=CCC(CC=C)Oc1cc(Br)ccc1Cl 1900972540 JCQYXZGPTQHGTD-UHFFFAOYSA-N 301.611 5.002 30 10 DKEE C[C@@](O)(c1cc(Cl)ccc1Cl)C1(C#N)CCCCCC1 1921081196 GALMEPBVCNUTFP-OAHLLOKOSA-N 312.240 5.065 30 10 DKEE CC(C)=C(C)C(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1989673626 KZFOZVAHSULNGS-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE C=CC1(C[C@@](C)(O)c2ccc(OCc3ccccc3)cc2)CCC1 2002638462 XRMNIFYXZVFJBZ-OAQYLSRUSA-N 322.448 5.220 30 10 DKEE N#CC1(Sc2cccc(Br)c2)CC(C2CCC2)C1 2029295679 MSKOHPALKSARGD-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Br)cc1C 2102110026 CUIKILXAEQMOAQ-GUYCJALGSA-N 324.306 5.401 30 10 DKEE CCCCCCCCCNc1cc(F)c(Cl)cc1Cl 2138945423 PUMLXHRAGUDBDL-UHFFFAOYSA-N 306.252 6.295 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2139133596 YINLSKRFNGKADS-WBMJQRKESA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](NCC)c1csc(Cl)c1 2154437219 TZIQLHGFNISNKW-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE CC#C[C@H](NCCC)c1ccc(-c2ccccc2Cl)s1 2164219738 FYSWYOHASCTKKG-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE O=C[C@@]1(CCc2cc(Cl)cc(Cl)c2)CCCCC12CC2 2173674950 BQCSIHURLXMPSI-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179257024 OROINWWAZFJMEY-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE N#CC1(CNc2cc(Cl)c(F)c(Cl)c2F)CCCCC1 2200726976 LDJGFNYWZHUJEI-UHFFFAOYSA-N 319.182 5.158 30 10 DKEE CCCCCCCNCc1sc(C)c(C)c1Br 2215891042 BTPRJGIIAVOSQB-UHFFFAOYSA-N 318.324 5.187 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@H](C)NCC)cc1C 2217385153 SMCOFLUSYXQLJP-IBGZPJMESA-N 322.496 5.248 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1ccc(Cl)cc1Cl 2235527896 ZYYOSDSAPOIHCR-MRXNPFEDSA-N 315.288 5.415 30 10 DKEE CCCCCCCC[C@](C)(N)c1c(F)ccc(F)c1Cl 2240626644 PBZKGFISNHCEBD-INIZCTEOSA-N 303.824 5.543 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1cc(Cl)cs1 2290438334 CBQAETCZWYZRLK-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE C=CCCCCOc1c(Cl)cc(CNCCC)cc1Cl 2296255541 LNYFDSPZPRKXOK-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE CCCCCCCC[C@@H](N)c1c(Cl)sc(Cl)c1C 2314517347 HDVXTFDBYXPVAK-LLVKDONJSA-N 308.318 6.114 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccc(F)c(C)c2)cc1Cl 2323970549 RUVZYFZCDAREOU-UHFFFAOYSA-N 318.775 5.082 30 10 DKEE CC(C)(C)[C@](C)(CS)CSCC1CC(C(F)(F)F)C1 2352291522 VSCSXIDJKWSTIH-GCZXYKMCSA-N 314.482 5.290 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@H]21 14458650 QEQWRDZHBSZULR-WAOWUJCRSA-N 317.432 5.386 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 14549855 IDVMBNGZFZMBSR-OPYAIIAOSA-N 321.395 5.217 30 10 DKEE O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 33368755 AXCCMTSCXPGOMT-BENRWUELSA-N 308.764 5.496 30 10 DKEE CCN(CC)c1ccc(/C=N/c2cccc3ccccc23)c(O)c1 59519149 JYQPMZBHXYICBY-PXLXIMEGSA-N 318.420 5.142 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2sccc2C)cc1C(C)C 83192670 CEGWHQVPJFNMMO-VQHVLOKHSA-N 314.450 5.475 30 10 DKEE CCCCCCCOc1cccc(CNCCCCCC)c1 100048238 OOLQIIFSFFIJAJ-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE CCCCCCCCOC(=S)SCCCCCCCC 103011429 VYMLCIOLHVSKHO-UHFFFAOYSA-N 318.592 6.742 30 10 DKEE CCCCCCCCCN1CCCc2cc(NCC)ccc21 107015339 PHPBOFVJXPADLS-UHFFFAOYSA-N 302.506 5.622 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccc(C)c2)C1 110354717 XGRHXMAZAABOOI-LZLYRXPVSA-N 301.499 5.832 30 10 DKEE N#Cc1ccc(Cl)c(NC2CC(c3cccc(Cl)c3)C2)c1 127742365 PDWVTTFLOQEPDU-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(F)c(Cl)cc1F 158212113 PEPJXLWATMUZBQ-KRWDZBQOSA-N 317.851 6.019 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1sccc1OC 162359952 RMEUMGHXSMJDKX-MRXNPFEDSA-N 311.535 5.938 30 10 DKEE CCCC[C@@H](C)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 205023601 QWANYJPCZQMWTC-OAHLLOKOSA-N 307.393 5.071 30 10 DKEE CCCCCCCCNc1ccc(Br)c(Cl)c1 232190667 OPAKLFJLSMKSNI-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE CCCCCCCCC[C@@H]1CNc2c(Cl)cc(Cl)cc21 232956646 XJMYDQQRMCAPQX-CYBMUJFWSA-N 314.300 6.643 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(C)c(Br)c(C)c1 234435016 QKIOOIKOLVPAJN-INIZCTEOSA-N 324.306 5.463 30 10 DKEE C=CCCCCCCN[C@H](C)Cc1ccc(Br)cc1 312093083 CVPLDFVCVUBQHG-OAHLLOKOSA-N 324.306 5.106 30 10 DKEE Cc1ccc(Br)cc1CC1(C#N)CCCCCC1 314217770 QTCZCTIOTKPYTR-UHFFFAOYSA-N 306.247 5.164 30 10 DKEE CC/C(=N\OCc1ccccc1C)c1ccc(OC(C)C)cc1 821221626 WWFBVLRNONGVRB-QZQOTICOSA-N 311.425 5.113 30 10 DKEE CCCCC1CCC(c2nccc3c2ccn3CCC#N)CC1 821286046 NBUCRJGNOBLQGK-UHFFFAOYSA-N 309.457 5.414 30 10 DKEE Fc1cccc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F 1848364023 WSEYISOZQLVXNT-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE Cc1ccc(Cl)cc1Nc1nccc(-c2ccccc2)c1C#N 1859856083 GZALNGCUYABKGS-UHFFFAOYSA-N 319.795 5.326 30 10 DKEE CCCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C 1866090137 GZRGEGJLMVYSED-UHFFFAOYSA-N 317.517 6.623 30 10 DKEE CC[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871421685 SKVPLPSLHKDYLQ-YQNUULROSA-N 322.404 5.097 30 10 DKEE C=C([C@@H](NCCC)c1cscc1C(F)F)[Si](C)(C)C 1922961855 DTNHGLVDYLKNNP-CYBMUJFWSA-N 303.494 5.160 30 10 DKEE CCCCCCCCC[C@@]1(O)CC[C@H]1OCc1ccccc1 1934879074 VIUOMOJCLUYRPQ-WOJBJXKFSA-N 304.474 5.237 30 10 DKEE CCCC[C@](C=O)(CC)[C@H](C)c1ccc(Br)cc1 2045986361 GCIKWJSSGJRPGF-CJNGLKHVSA-N 311.263 5.338 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2snc(Cl)c2Cl)C1 2048350913 FBQRQDKFXMAASX-RNCFNFMXSA-N 303.258 5.103 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1ccc(C(C)C)cc1 2070168784 IZMYJTIEBLWFAD-MRXNPFEDSA-N 306.453 5.255 30 10 DKEE N#Cc1sc(-c2ccc(C(F)(F)F)cc2F)cc1Cl 2080389550 CYHHTIDUSSJDKO-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE C=CCCCCCC[C@@H](N)c1cccc(Br)c1C 2085850684 YBQZYYLUJRTEKT-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2116656179 OIOYRFFRCBHRTE-TZMCWYRMSA-N 300.273 5.116 30 10 DKEE CSc1ccccc1[C@@H](C)Nc1ccc(C#N)c(Cl)c1 2152743723 JLFWQDFSXRDGDC-LLVKDONJSA-N 302.830 5.107 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2158320375 LFMSCKGLRYBBLD-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE Cc1cc(Cl)cc(Cl)c1Nc1c(F)cc(C#N)cc1F 2201082444 PQKDHIXKMLRJQO-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C#C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CCCCC1 2203797295 DEJJVUAEHWEJTL-SJCJKPOMSA-N 310.268 5.226 30 10 DKEE C=C[C@H](CCCCC)OCc1ccc(Br)c(F)c1 2223293363 ZSTLDQAEXNCZKE-CYBMUJFWSA-N 315.226 5.240 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1cc(Cl)ns1 2227268517 QJZYDQLRGUZPOS-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE CCCCCCCC[C@@H](NC)c1nc(C(F)(F)F)cs1 2234790985 RJRVQHCUPARROZ-LLVKDONJSA-N 308.413 5.173 30 10 DKEE C=CCCCC[C@H](O)c1cc(F)c(Br)cc1Cl 2248034172 XKOSXSOHPBXZGI-ZDUSSCGKSA-N 321.617 5.021 30 10 DKEE C(#Cc1cccc2ccccc12)C=Cc1cccc2ccccc12 2297730490 ANCRGCZAZVMESM-UHFFFAOYSA-N 304.392 6.058 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)cc1Br 2304119716 MNPQLWWHDHYKEG-KBPBESRZSA-N 317.654 5.128 30 10 DKEE C[C@H]1CC[C@H](CSc2cc(Br)cc(C#N)c2)CC1 2313841656 DAOAIHFLZAPEOW-HAQNSBGRSA-N 324.287 5.239 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1cc(C)c(Br)c(C)c1 2338738091 JXGHCAKBVQHBQQ-QGZVFWFLSA-N 322.290 5.095 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc2sccc2s1 2365092355 CVEDDQFMMDXRKJ-QWHCGFSZSA-N 303.496 5.053 30 10 DKEE CC1=C(C)C(=O)[C@@H](CCCc2cc(Cl)cc(Cl)c2)CC1 2366836058 JDTURQIZXNRIAY-AWEZNQCLSA-N 311.252 5.632 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H]1COCCCCCCCCCS 2369118236 GWXCSMXGCWFCKK-IAGOWNOFSA-N 300.552 5.736 30 10 DKEE CCCCCCC(=O)/C=C/CCCCCCCCC(=O)OC 6756194 OHJIOGJOUIOUTD-DTQAZKPQSA-N 310.478 5.376 30 10 DKEE CCCCCCCC[C@H](CSc1ccccc1Cl)NN 126970621 ZZAUMTGQGPRBNJ-CQSZACIVSA-N 314.926 5.015 30 10 DKEE N#CC1(Cc2sccc2Br)CCCCCCC1 158872084 YSIUGFAOGZGIOL-UHFFFAOYSA-N 312.276 5.307 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1SCCS[C@@H]1CC 228097887 AWNRFSGRGGEGPO-BBWFWOEESA-N 318.592 5.505 30 10 DKEE CC(C)c1ccccc1Oc1ccc(C#N)c(Br)c1 228200465 ADDQXKZGGJLFDR-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CC(=O)/C(C)=C\c1ccc(-c2cccc(Br)c2)s1 310603739 KQHHLRYHYWCAKP-NTMALXAHSA-N 321.239 5.170 30 10 DKEE C=CCC(C)(C)CN[C@H](CC)c1ccc(Cl)c(Cl)c1 311871353 LTGJVHCDYHYDKQ-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccncc1Br 395907285 MWGYBODCQLCMAB-OAHLLOKOSA-N 314.267 5.018 30 10 DKEE C=CC(C)(C)CCn1c(S)nc2cc(Cl)c(Cl)cc21 701870935 AJFHQJBWLARGBX-UHFFFAOYSA-N 315.269 5.234 30 10 DKEE N#CCc1cc(Cl)cc2c(SC(F)(F)F)csc12 725286358 RCOAAGQPFQQZKH-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE CCCCC(=NN=C(CCCC)c1ccccc1)c1ccccc1 1083940576 APCPHZUOEVVNQN-UHFFFAOYSA-N 320.480 6.260 30 10 DKEE C=CCN(C(=O)c1ccc(C)cc1)C1CCC(C(C)(C)C)CC1 1860017626 MHKMDXPZNHOTCK-UHFFFAOYSA-N 313.485 5.228 30 10 DKEE C=C(C)CC[C@H](C)NCc1cccc(SC(F)(F)F)c1 1912902805 MBWMXKUPYNOEJF-LBPRGKRZSA-N 303.393 5.133 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)C1CCCC1 1938420552 LEVIZDNNSXHCRM-GDBMZVCRSA-N 322.493 5.131 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](CC)c1cccc(Br)c1 2035362758 DOUDUEHBUKXXOE-XJKSGUPXSA-N 310.279 5.235 30 10 DKEE CCC[C@](C)(C#N)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2045998332 RODYRTVAZVVXHI-CHWSQXEVSA-N 306.620 5.010 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cccc(Br)c1 2085840799 BKTZYQLIXPGWAR-MRXNPFEDSA-N 310.279 5.366 30 10 DKEE N#Cc1ccc(CSC2CCC(F)(F)CC2)c(Cl)c1 2088609497 KIKHZBYWLVVLCC-UHFFFAOYSA-N 301.789 5.023 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cc(Cl)ccc1Cl 2108212667 DIBCVVYIDGQBRL-LSDHHAIUSA-N 300.229 5.137 30 10 DKEE C=C[C@H](C)C[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2116657672 HLEPMJWJAPLTRW-SWLSCSKDSA-N 300.273 5.116 30 10 DKEE O=C(C=C1CCCCC1)c1cc2cccc(Br)c2o1 2120531503 JHMRMXLQIKSZCR-UHFFFAOYSA-N 319.198 5.269 30 10 DKEE C#CCCN(Cc1cccc(Cl)c1Cl)C1CCCCC1 2145626687 UPFKPDQEGAZPCS-UHFFFAOYSA-N 310.268 5.151 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)C1 2168546627 ARJMDQQASNEVQN-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE C=C1CC(C[C@H](O)c2ccc(-c3ccc(Cl)cc3)s2)C1 2182129943 XLABGIXPIFABPT-HNNXBMFYSA-N 304.842 5.458 30 10 DKEE Cc1cc(Oc2cc(Cl)c(F)cc2C#N)cc(C)c1Cl 2184422277 DUSIHSNSSZJCMG-UHFFFAOYSA-N 310.155 5.413 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(C2CCC2)cc1 2212602442 DONBZIFVPKQRQO-UHFFFAOYSA-N 305.465 5.532 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)CC)c(C)c1 2217117118 SWDLBPREVGCPBW-IBGZPJMESA-N 322.496 5.076 30 10 DKEE CCCCCCCC[C@](C)(O)C(=O)c1sccc1Cl 2231928177 FRVWROPBOAEHJG-HNNXBMFYSA-N 302.867 5.086 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2234033185 CBDBUYSAXFQEOS-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE CC(C)c1cc(Br)cc(C(=O)CC#CC(C)(C)C)c1 2266011823 GMMITKAYBKBZGG-UHFFFAOYSA-N 321.258 5.195 30 10 DKEE C[C@@H](CC1=CCCCC1)Nc1c(Br)cccc1C#N 2269682859 CRMFPTMKNVVQRD-LBPRGKRZSA-N 319.246 5.012 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OCC1(CS)CC(C)C1 2280053327 WNHKPRQYJBLLKZ-UHFFFAOYSA-N 312.906 5.497 30 10 DKEE Fc1cc(Cl)cc(F)c1NCCCC(F)(F)C(F)(F)F 2281479556 IPKOCMPIQJEQNE-UHFFFAOYSA-N 323.639 5.008 30 10 DKEE CCCCCCCC[C@@H](NCC)c1sc(Cl)cc1OC 2295768944 ODBRMIQJEKSGDO-CYBMUJFWSA-N 317.926 5.811 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(Br)s1 2304059046 MAYQUDJFSOJCRB-CYBMUJFWSA-N 316.308 5.154 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Br)c(O)c1 2321056253 QQQXPZAFQTWSPB-GFCCVEGCSA-N 314.267 5.316 30 10 DKEE C=CC1(C[C@@H](NCC)c2ccc(Cl)c(Cl)c2C)CCC1 2364550642 IPCPSWMKCOVLIH-OAHLLOKOSA-N 312.284 5.699 30 10 DKEE Cc1cc2c(C#N)c(Cl)n(CCc3ccccc3)c2cc1C 71465775 BSZJDWZRIRTCMA-UHFFFAOYSA-N 308.812 5.026 30 10 DKEE CCCCCCCOc1ccccc1[C@H](C)NCCCCCC 100048150 PYVJSQNXHKKWGW-IBGZPJMESA-N 319.533 6.267 30 10 DKEE CCCCCCCCOC(=O)CCCCCCCCC1CC1 138763236 KDWQMNWJOQKYCE-UHFFFAOYSA-N 310.522 6.421 30 10 DKEE C=CCCOc1cc(SCc2ccccc2)ccc1C(C)=O 261003458 HJHTVBSFYHNGIP-UHFFFAOYSA-N 312.434 5.136 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(C)cc1N 316263135 WKGWTKLCZQKRBC-UHFFFAOYSA-N 304.478 5.437 30 10 DKEE CCCCCCCCCCNC(=O)c1cccc2[nH]ccc12 316466249 UWYKRHMKKNLDGA-UHFFFAOYSA-N 300.446 5.038 30 10 DKEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 398155900 GIDKGYGZYOFRMD-GHMZBOCLSA-N 320.691 6.042 30 10 DKEE C=C(C)CC[C@H](N)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 407385331 ZSNXQLFVQILCCN-HNNXBMFYSA-N 324.852 5.043 30 10 DKEE CCCCCCC[S@@](=O)Cc1ccc(Cl)cc1Cl 586377712 QLGUJSQCXMZFBY-GOSISDBHSA-N 307.286 5.213 30 10 DKEE Cc1c(Cl)cc(NC[C@H](C#N)C2CCCCC2)cc1Cl 690288802 RQFZFTYHRLTRDN-ZDUSSCGKSA-N 311.256 5.434 30 10 DKEE CCCCCCCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 703707764 DZRLUTASRDRDFS-NSHDSACASA-N 306.252 5.754 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 709119727 UPEQNLBWDYQFNF-PWSUYJOCSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCCC[C@H](N)c1cscc1Cl 710397278 YZVMWURMYCJORK-INIZCTEOSA-N 301.927 6.322 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 715733081 NBLBMSQAKWTHMM-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc(C)ccc2Br)CC1 724598824 FRNYLMJNBGIKHV-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE C#CCCN(Cc1cc(Cl)sc1Cl)C1CCCCC1 1883054992 JEFFRJMPEYNKMC-UHFFFAOYSA-N 316.297 5.213 30 10 DKEE CCCCCCCC[C@H](O)c1cc(-c2cccs2)cs1 1920048701 NDKYBERIXSLHGM-HNNXBMFYSA-N 308.512 6.261 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1ccccc1OCc1ccccc1 1975928655 QPMHNTMRXYMMEL-LAUBAEHRSA-N 309.453 5.128 30 10 DKEE CCC1(CC)CCC(C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 1981060720 MRCCDEFDQSWTRD-UHFFFAOYSA-N 322.493 5.275 30 10 DKEE CCCCCCC[C@]1(N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 1988782002 BHNPVOFRBCYICO-BURNTYAHSA-N 315.501 5.060 30 10 DKEE CCCCCCCC[C@H](C#N)N(CC1CC1)C(=O)OC(C)(C)C 1995349807 OTBKIKYSFOSXBF-QGZVFWFLSA-N 322.493 5.276 30 10 DKEE C=CCN(C(=O)OCc1ccccc1)c1ccccc1C(C)C 2081121280 PXJQJXZWKUTHRB-UHFFFAOYSA-N 309.409 5.139 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ncc(Cl)s1 2107840877 BSQYVJIQPLKAEX-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE CC[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 2143834823 BJBKLHSHKSNPAZ-UHOFOFEASA-N 311.256 5.116 30 10 DKEE CCCCCCCCCCCC[C@@](C)(O)CSCCC 2144732141 BYJVKBJXQVDRLT-GOSISDBHSA-N 302.568 6.192 30 10 DKEE CC1(C)CCC[C@@]1(C#N)Cc1csc(-c2cccs2)n1 2149432095 YJVOJOHOEXJBIE-INIZCTEOSA-N 302.468 5.134 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(Cl)ccc2Cl)CC1 2157121294 UJVWYLOWWOKJJW-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE C[C@@H](N(C)CCCCCCCCCS)[C@@]1(C)CC1(F)F 2172726009 SZGVSKUTMLIDCE-HUUCEWRRSA-N 307.494 5.013 30 10 DKEE C#CCCC[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205867978 YUYIVAMBJFHIDI-CQSZACIVSA-N 303.496 5.321 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cscc2Br)C1 2214602080 IHHCYKACGOFNJI-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCCCOc1ncccc1Br 2218646689 CWGSAMQXRSZYJF-UHFFFAOYSA-N 312.251 5.140 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccccc1OCc1ccccc1 2250160633 ATLMELYMWXNUAN-OAQYLSRUSA-N 323.480 5.663 30 10 DKEE C=C([C@@H](N)c1cc(Br)cc(C(C)C)c1)C(C)(C)C 2254716204 GKBZTMMDAKVIIH-OAHLLOKOSA-N 310.279 5.175 30 10 DKEE Cc1cccc(Oc2ccc(C#N)cc2Cl)c1Br 2263821007 LHFFEYWXNFSJHL-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C[C@@H](C)CCN[C@H](c1cccs1)c1ccc(Cl)s1 2273034498 WEKSENZDHCQYCA-IAQYHMDHSA-N 311.903 5.354 30 10 DKEE C=CCCCCCCCSc1csc(CNC(C)C)c1 2287063350 PEZBHYLBCBGDPV-UHFFFAOYSA-N 311.560 5.865 30 10 DKEE C=CCCCCCCCS[C@@H](c1sccc1C)[C@@H](C)N 2287096096 HHIPYJKJBGVXOY-NVXWUHKLSA-N 311.560 5.705 30 10 DKEE C=CCCCC[C@H](OCCCN)c1c(Cl)cccc1Cl 2293268819 MTPJAZUXQRJPNX-HNNXBMFYSA-N 316.272 5.146 30 10 DKEE Cc1ccc(Cl)cc1NC=CC(=O)c1ccc(Cl)cc1 2297735143 ZSEUHBDGPMICLR-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSCC1(C(F)(F)F)CC1 2327273483 DIOWWMFIFWOFKO-NSHDSACASA-N 300.455 5.044 30 10 DKEE C=C(C)C[C@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2347958491 UKISUJLCTYOVFD-HNNXBMFYSA-N 324.306 5.300 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(F)c(Cl)c(Cl)c1 2352532115 YGXDWOAVJNVMTQ-HNNXBMFYSA-N 307.236 5.701 30 10 DKEE CCCCCCC[C@](C)(Sc1ccccc1Cl)C(=O)O 2353866606 AQSMPNWOKJJMJG-INIZCTEOSA-N 314.878 5.636 30 10 DKEE C=CCCCCCC[C@@H](NN)c1c(Cl)cc(F)cc1Cl 2366406193 AITFJKPNZGVSJG-CQSZACIVSA-N 319.251 5.164 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2370618643 ORPPBQTYCQJFOE-KGLIPLIRSA-N 306.755 5.385 30 10 DKEE Oc1ccc2oc3c(c2c1/C=N\C1CCCCCC1)CCCC3 552152 YHRQKZGZFFFNJA-BKUYFWCQSA-N 311.425 5.159 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1cccs1 33406263 PGTGQXFQYUYEAC-CLFYSBASSA-N 314.793 5.558 30 10 DKEE CCCCCCCCCCCCCCCc1ccc(O)cc1O 43422746 KZHWBDBBPXMVAT-UHFFFAOYSA-N 320.517 6.732 30 10 DKEE in-vitro CCOc1cccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)c1 83204260 XPLXCAOTLURXKV-RMKNXTFCSA-N 321.203 5.288 30 10 DKEE CCCCCCCCCCCCCCCCOC(=O)CCC 85565429 NJVKAQGGBANCKG-UHFFFAOYSA-N 312.538 6.811 30 10 DKEE N#Cc1ccc(Nc2cc(C(F)(F)F)ccc2F)cc1Cl 110258711 XPAONPUZBYSNAS-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCC[C@@H](CSC1CCCCC1)NCCC 115822247 VGZZKEVQNRIWQP-SFHVURJKSA-N 313.595 6.171 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(Cl)cc1Cl 115857054 KQWCTKBSMNSKRN-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCOc1cc(Br)ccc1C#N 123473283 RMTSEKJAXZRWPR-UHFFFAOYSA-N 310.235 5.060 30 10 DKEE CC[C@@H]1CCC[C@H](Nc2ccc(Br)cc2C#N)CC1 132276675 KDYBPNZXHKCUTI-DOMZBBRYSA-N 321.262 5.092 30 10 DKEE N#Cc1ccc(NCc2ccc(Cl)cc2Cl)c(Cl)c1 236067021 NUENRQAGMAZZSS-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=CCn1c(-c2ccccc2)csc1=Nc1c(C)cccc1C 263630007 BFERSJFCSZSXSW-UHFFFAOYSA-N 320.461 5.252 30 10 DKEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCCCC1 698869257 SIKLVIRWWDSFBZ-IBGZPJMESA-N 322.493 5.419 30 10 DKEE CCCCCCCC[C@H](O)C[C@H](C)COCc1ccccc1 719444736 YHLBVYRIKBOHNV-ICSRJNTNSA-N 306.490 5.341 30 10 DKEE C#CCN(CCCCCCCCCCCC)Cc1ccccc1 1914500591 JFUZRVJSSFOIQQ-UHFFFAOYSA-N 313.529 6.043 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)s1 1995176646 KJEOSHJDQJSSGF-NSHDSACASA-N 302.281 5.037 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2038529573 BSIKKNYVEFEQFM-GFCCVEGCSA-N 308.318 6.066 30 10 DKEE C=C(C)C[C@@H](O)c1ccc(-c2ccccc2Br)s1 2051372704 SATCGVBHGMSTIY-CYBMUJFWSA-N 323.255 5.177 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](CC)c1ccc(C)c(C)c1 2070162317 ZPYBUASTTOGIOL-QFIPXVFZSA-N 314.432 5.148 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccccc1Br 2085850766 ZBKLZSVPMPZBPB-INIZCTEOSA-N 311.263 5.399 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(F)cc(Br)c1 2085913821 FZQRAWTYBMBRTP-HNNXBMFYSA-N 315.226 5.148 30 10 DKEE N#Cc1cc(F)c(SCc2ccccc2Cl)cc1Cl 2120880550 ASOLVBXWSZDLDW-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CCCCCCC[C@@]1(O)CCc2cc(Br)ccc21 2141915351 AKYRQDNAYPNZBJ-QGZVFWFLSA-N 323.274 5.110 30 10 DKEE CCCCCCCCC[C@H]1Nc2cc(Cl)cc(Cl)c2O1 2144460621 PHXMRPPNYAFSKK-HNNXBMFYSA-N 316.272 6.265 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@H](O)c2csc(Cl)c2)CC1 2154438441 BDIYVIPTWXMMFD-CXOJTPOUSA-N 311.878 5.181 30 10 DKEE CCN[C@@H](CC#CC1CCCCC1)c1cc(Cl)sc1C 2164176289 DUYIIJDRRPXWMN-INIZCTEOSA-N 309.906 5.334 30 10 DKEE C=CC1(C[C@H](N)c2ccc(Cl)cc2C(F)(F)F)CCC1 2168028151 KBTMNRAKNJMNQG-ZDUSSCGKSA-N 303.755 5.105 30 10 DKEE C=CCCCCCCN[C@H](C)c1ccc(Cl)c(F)c1F 2176949986 HPHRDTTYHFIRLF-GFCCVEGCSA-N 301.808 5.405 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(Cl)c(F)c1F 2176954989 UJQNTCQCFPCBBI-MRXNPFEDSA-N 304.808 5.576 30 10 DKEE C=CC[C@](C)(Nc1nc(C)c(C(C)(C)C)s1)C(F)(F)F 2182190559 PFNLGGTZIWERLW-ZDUSSCGKSA-N 306.397 5.058 30 10 DKEE CC#CCCCCC(=O)c1cc(C(F)(F)F)ccc1Cl 2196208539 BLYNZZMUASMKKC-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCC#CC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2203792635 RCANJRAQNWDQHI-INIZCTEOSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCOc1ccc(Br)c(F)c1 2220089256 PIPVYSTUIBYJSE-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE N#Cc1c(Cl)cccc1SC[C@H]1CCCCC1(F)F 2267993842 ISCQYXLWHQPEGF-SNVBAGLBSA-N 301.789 5.129 30 10 DKEE CCCCCCCC[C@](C)(OCCN)c1ccsc1Cl 2293709132 PWIPXSCZJCBPBS-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=CCC(CC=C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 2335208152 YTPLPPNFEKRUES-JTQLQIEISA-N 302.220 5.304 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2344380954 MEHIRBMPEMOEOR-ABAIWWIYSA-N 300.273 5.035 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](C)c1ccc(Cl)c(C)c1Cl 2353067406 XYQLRXPFMAWNMD-DGCLKSJQSA-N 300.273 5.697 30 10 DKEE CN[C@@H](C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1C 2364408056 ONGWPEROTQYZAI-INIZCTEOSA-N 310.268 5.146 30 10 DKEE CSc1cccc(NCc2cc(Cl)cc(Cl)c2)c1C#N 2366870336 OYLHLMBLRUPKNV-UHFFFAOYSA-N 323.248 5.199 30 10 DKEE N#C[C@H](C(=O)CC1CCCCC1)c1c(Cl)cccc1Cl 37344011 HMXZNOQPFPJOHZ-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 37936043 LLZCKNZJIKXXTH-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE CCCCCCCO[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 59526123 LOLDMSPEQQPRLK-LBPRGKRZSA-N 317.256 5.552 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2ccccc2)c(C)c1C 83193460 WSUAFODPEIAOCO-VAWYXSNFSA-N 308.421 5.297 30 10 DKEE COc1c(C(=O)/C=C/c2ccccc2)cc(C)cc1C(C)(C)C 83193985 DBNWKDYSWZLEFQ-VAWYXSNFSA-N 308.421 5.197 30 10 DKEE CC(C)N(CCCCCCCCCS)Cc1ccccc1 97799188 UVBPUXDEMYRQJQ-UHFFFAOYSA-N 307.547 5.558 30 10 DKEE CCCCCCCCCC[C@H](Cc1nc(C)cs1)NCC 109742822 KHUWCKXXKDPRBO-QGZVFWFLSA-N 310.551 5.503 30 10 DKEE CCCCCCCCCCCC[C@@H](O)C(OCC)OCC 123544976 LTTGDSPXBBKYHR-QGZVFWFLSA-N 302.499 5.057 30 10 DKEE C[C@H](CCCC(F)(F)F)Nc1ccc(F)c(C(F)(F)F)c1 163384517 QHXXFCGGZBGDRJ-MRVPVSSYSA-N 317.248 5.378 30 10 DKEE Cc1ccc(Nc2ccc(C(F)(F)F)c(C#N)c2)cc1Cl 164379756 NVEPJYCTOONFPW-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCOc1ccc(/N=C/c2ccc(OCC)cc2)cc1 205323974 UHSAFRVYXXKFKO-LTGZKZEYSA-N 311.425 5.405 30 10 DKEE CCCCCCCCOc1ccc(C=O)c(Br)c1 232937221 GIKCZOAAFINXCN-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CCCCCCCCC[C@H](N)C(C(F)(F)F)C(F)(F)F 232987224 VQPVZJGJTAHFLD-JTQLQIEISA-N 307.322 5.195 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(C)c(Br)c2)C1 317349400 SUXJLBWLDGOVTN-YOEHRIQHSA-N 323.274 5.086 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccccc1OCc1ccccc1 379752469 OSHRQISATUGBQH-OALUTQOASA-N 320.436 5.150 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(Br)ccc3C)C[C@@H](C1)C2 697304201 IXMQWYUAIHPQHQ-MZBDJJRSSA-N 320.274 5.304 30 10 DKEE CC#CCCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 1879646455 FXKKXLKEZHQLHS-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE C=C(c1ccccc1)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 1888711443 JGICPEUAKYSLGE-HNNXBMFYSA-N 313.611 5.394 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)[C@@H]1CCC[C@@H](C)C1 1917860917 NVFPDUWVYLGYCO-HLIPFELVSA-N 301.540 5.753 30 10 DKEE C=CCC[C@H](C)Cc1ccc(Cl)c(Br)c1F 1979507401 HFCFNRJOGLZUJY-VIFPVBQESA-N 305.618 5.386 30 10 DKEE CCCCCCC[C@@H](O)c1cc(C)cc(Br)c1F 2028919614 ROXMLWGQZIHNQR-CQSZACIVSA-N 317.242 5.291 30 10 DKEE CCCC[C@](C=O)(CC)Cc1cccc(C)c1Br 2045980376 IPHXLMLWVNSAEW-MRXNPFEDSA-N 311.263 5.086 30 10 DKEE C=C(C)CCC(=O)c1cc(Br)cc(C(F)(F)F)c1 2052291426 DVAXSAQJYZRXQL-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 2053467593 AXCCMTSCXPGOMT-UHFFFAOYSA-N 308.764 5.496 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(F)cc(Br)c2)C1 2112241035 ZKTHJQINSVJCSF-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C=CCCCCCC[S@](=N)(=O)c1c(Cl)cccc1Cl 2141922811 JKCQHOGBZZGXAD-IBGZPJMESA-N 320.285 5.536 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccsc1C(F)(F)F 2158322819 FKORJCOIJXQNEI-WCQYABFASA-N 305.409 5.410 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2ccc(Cl)cc2Cl)CC1 2181633198 AFUSKFLVPGKSOJ-LBPRGKRZSA-N 311.252 5.949 30 10 DKEE C=CC1(CNCc2sc3ccccc3c2Cl)CCCC1 2189515007 PFMJVVUSIYNKCK-UHFFFAOYSA-N 305.874 5.391 30 10 DKEE N#Cc1cc(F)c(Nc2ccc(Cl)c(Cl)c2F)c(F)c1 2197916054 HRAVPNDJHMMJOX-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=C1CC(C[C@H](NCC)c2ccc(-c3cccs3)s2)C1 2205876081 DIWPXZUJUWPIPW-AWEZNQCLSA-N 303.496 5.484 30 10 DKEE C=CCCCCCCCOC(C)(C)[C@H](C)NCc1ccccc1 2211144640 BBZINFXDXJUSPE-IBGZPJMESA-N 317.517 5.487 30 10 DKEE Cc1cc2sc(C(=O)C#Cc3cccc(Cl)c3)cc2s1 2239553892 FNNSTBJOLWPKSX-UHFFFAOYSA-N 316.834 5.159 30 10 DKEE O=CC1(CCCC(F)(F)C(F)(F)F)CCCCCCC1 2240468058 CYXPFAHOWSXARO-UHFFFAOYSA-N 300.311 5.284 30 10 DKEE Clc1cc(NCC#CC2CCCC2)cc(Cl)c1Cl 2261102038 ZJTQYXVGFIPWNZ-UHFFFAOYSA-N 302.632 5.252 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(Cl)c(OC)cc1Cl 2266793291 RMORXPHVBDPOMH-CQSZACIVSA-N 302.245 5.009 30 10 DKEE CC(C)C1CCC(C#N)(Cc2cc(Cl)nc(Cl)c2)CC1 2286804271 CPHHEKKQJWLKQF-UHFFFAOYSA-N 311.256 5.287 30 10 DKEE O=C(C=Cc1ccc(O)c(Cl)c1)c1ccc2ccccc2c1 2293941214 GLBICTBVCYDYFZ-UHFFFAOYSA-N 308.764 5.095 30 10 DKEE C=CC[C@@H]1CCC[C@H]1NCc1cccc(OCc2ccccc2)c1 2300177328 WTDRVQSVOLKWKL-IFMALSPDSA-N 321.464 5.100 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1csc(C)c1Br 2303640480 WSTLBQQYGODYLN-YGRLFVJLSA-N 316.308 5.072 30 10 DKEE CC(=NOCc1ccc(Cl)c(Cl)c1)c1ccc(C)c(C)c1 2330451694 RWJJLRLTXYEQPZ-UHFFFAOYSA-N 322.235 5.551 30 10 DKEE C=C1CCC(C[C@H](N)c2c(Cl)cc(F)cc2Cl)CC1 2340796101 PPKJJTYYZWWCFK-AWEZNQCLSA-N 302.220 5.269 30 10 DKEE CCCC[C@@](C)(C=O)[C@H](C)c1ccc(Cl)c(C)c1Cl 2353214539 UGPQICGTQOGBJY-WBMJQRKESA-N 301.257 5.801 30 10 DKEE C=CCC(CC=C)Sc1cc(C)c(CN[C@@H](C)CC)s1 2360374832 LVSDUGPKHQVSAC-AWEZNQCLSA-N 309.544 5.558 30 10 DKEE C=CC[C@@H]1CCCN(CCCc2cc(Cl)cc(Cl)c2)C1 2366833972 IDYIZUUGHVKKLN-CQSZACIVSA-N 312.284 5.214 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2370486196 IRWOPQYCBLSRNJ-DLBZAZTESA-N 314.300 5.506 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1cccc(Cl)c1Cl 2370539394 GCQCJFAADISSEB-DLBZAZTESA-N 314.300 6.027 30 10 DKEE C=C[C@@H](N(Sc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)C 34533130 RXKPBSGALBPHJT-OAHLLOKOSA-N 321.486 5.532 30 10 DKEE CC(C)(C)c1ccc(-c2nc3ccccc3n2CCCC#N)cc1 57868846 VVWJVJIAHLJQDX-UHFFFAOYSA-N 317.436 5.305 30 10 DKEE CCCCCCCOc1c(N)cc(Cl)cc1Br 59228092 NBUVUEWNNFPIRG-UHFFFAOYSA-N 320.658 5.034 30 10 DKEE CCc1ccc2ncc(C#N)c(Nc3ccc(C)c(C)c3)c2c1 64438736 FVQQQUFHIZYJLM-UHFFFAOYSA-N 301.393 5.029 30 10 DKEE CCCCCCCCCCOc1ccc(C(C)=O)cc1Cl 132575853 ZQUMNOSGGGYPME-UHFFFAOYSA-N 310.865 6.062 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(Cl)c(Br)c1 160919496 VUYZKTSVWFZBEK-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE Cc1cccc(C#N)c1Nc1ccc(Cl)cc1Br 221089012 CUOCGAYQNFQKTO-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCC[C@@H](C)C1 314176208 LVSKCRSXYZOFEK-MLGOLLRUSA-N 306.247 5.020 30 10 DKEE N#C[C@@H](CSc1ccc(Cl)cc1Cl)C1CCCCC1 397196152 NLVDOJAUCOVMJM-LBPRGKRZSA-N 314.281 5.806 30 10 DKEE N#C[C@H](C(=O)c1cc2cscc2s1)c1ccc(Cl)cc1 694335898 VAWAIQSDXBMJEX-LBPRGKRZSA-N 317.822 5.106 30 10 DKEE CCCC1CCC(C#N)(N(C(=O)OC(C)(C)C)[C@@H](C)CC)CC1 698373007 CTEODHWARNHNHD-LYGPFTKASA-N 322.493 5.275 30 10 DKEE CCC[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698875882 RYBIDBOHIMBVHC-WBVHZDCISA-N 322.493 5.275 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccccc1C 1865985059 YUDZWLHILFCKPT-UHFFFAOYSA-N 303.490 5.532 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1cc(Cl)sc1Cl 1888681264 CLTUBEQHVZGYBE-CQSZACIVSA-N 312.265 5.419 30 10 DKEE CCCCCCC[C@@]1(N)CC(C)(C)[C@@H]1OCc1ccccc1 1934859123 DSEUWFWVMNEVOG-AZUAARDMSA-N 303.490 5.060 30 10 DKEE CCCCCCCC[C@H](N)c1cc(C)sc1Br 1951118421 NGWJSXWJEFKEAX-ZDUSSCGKSA-N 318.324 5.569 30 10 DKEE Cc1cc(C(=O)C2=CCC(C)(C)CC2)c(Br)s1 2010767127 YKEONUKTIHIALS-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Br)ccc1C 2085841597 JEIRXLNUEBBZJU-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1ccc(Cl)s1 2090891840 KLNJCTGJRBWLMZ-HNNXBMFYSA-N 302.867 5.145 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ncc(SC)s1 2108003364 XZOXUAZBBFRHJG-CYBMUJFWSA-N 300.537 5.266 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1cc(Cl)sc1Cl 2117015831 WVBIQKKEXPAVKZ-RISCZKNCSA-N 318.269 5.198 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1scc(Cl)c1Cl 2142427932 NMAAFBOQQVFLRS-CYBMUJFWSA-N 321.313 6.395 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cc(Cl)ccc2Cl)C1 2168548282 NSVZWYIOAJGTBG-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE CCCCCCCCOc1c([C@H](C)N)ccc(Cl)c1F 2176954854 GSLHJWVJFMSHHI-LBPRGKRZSA-N 301.833 5.238 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2206806678 MNUPWAMRIZQJRE-CQSZACIVSA-N 307.787 5.719 30 10 DKEE C=CCCCCCC[C@@H](NN)c1cc2sc(C)cc2s1 2206892301 QEEDTKHBPDAPEC-CYBMUJFWSA-N 308.516 5.302 30 10 DKEE C=CCCCCCCCN1CCc2cc(Br)ccc21 2227273390 RAFLXMNFUBCFIM-UHFFFAOYSA-N 322.290 5.338 30 10 DKEE C=C(C)CC[C@H](O)c1c(Cl)cc(Br)cc1Cl 2243525637 CDPXXAHLMTZHSZ-NSHDSACASA-N 324.045 5.146 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(Cl)cc1Br 2250160361 YBOYTXMUAXPECV-CQSZACIVSA-N 317.654 5.272 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@H](C(F)F)CC[C@H]1N 2287194666 VAFAJICMRJXNIN-RBSFLKMASA-N 305.478 5.007 30 10 DKEE CCCCCCCC[C@H](OCC(=O)O)c1ccsc1Cl 2290608674 KSUBCLQLYIYULM-ZDUSSCGKSA-N 318.866 5.294 30 10 DKEE Cc1ccc(Cl)cc1NC=CC(=O)c1ccc(C(C)C)cc1 2296875964 OMIGWEJMKATLQI-UHFFFAOYSA-N 313.828 5.580 30 10 DKEE C[C@H](N=Cc1c2ccccc2cc2ccccc12)c1ccccc1 2313501648 IKKYRENVJRYEJZ-KRWDZBQOSA-N 309.412 6.173 30 10 DKEE CCCCCCCCCCNC(=O)C=Cc1ccccc1Cl 2327476085 UDWAWFMRLFNZCS-UHFFFAOYSA-N 321.892 5.610 30 10 DKEE Cc1c(F)ccc(CN(C)CCCCCCCS)c1Cl 2364740642 ZQWXSDKARLAUDP-UHFFFAOYSA-N 317.901 5.100 30 10 DKEE COc1c(Cl)cc(C[C@]2(C#N)CCC[C@H](C)C2)cc1Cl 2365499351 UQKYVOLJEYIRCH-ZBEGNZNMSA-N 312.240 5.265 30 10 DKEE C[C@@H]1CCCC[C@]1(C=O)CCCCC(F)(F)C(F)(F)F 2368118043 UEEOOVCWUKZHLC-VXGBXAGGSA-N 300.311 5.140 30 10 DKEE Cc1ccsc1/C=C\C(=O)c1ccc(C2CCCCC2)cc1 33670955 UUDKPWWNFZUEJW-QXMHVHEDSA-N 310.462 6.000 30 10 DKEE CCCCCCCCCCCn1c(C(C)C)nc2ccccc21 50861295 UUDYEKZQDLSTKL-UHFFFAOYSA-N 314.517 6.691 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1c(C)cc(OC(C)C)cc1C 83193634 YLCVHIIUPCVVMO-VOTSOKGWSA-N 314.450 5.357 30 10 DKEE CC(C)(CS)CN1c2ccccc2Sc2ccccc21 94586503 MSWGPILKGJLZFF-UHFFFAOYSA-N 301.480 5.245 30 10 DKEE CCCCCCCNCc1ccccc1OCCCCCC 100027303 IVHIZFJBQADLGT-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE CCCCCCCNC[C@@H](C)Oc1ccccc1[C@H](C)CC 100027392 BKEOCMZYPYSCAJ-QZTJIDSGSA-N 305.506 5.527 30 10 DKEE CCCCCCCC12CCC(c3ccc(C#N)cc3)(CC1)CC2 100496135 FERAVBRGUZGMOU-UHFFFAOYSA-N 309.497 6.511 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(Cl)ccc2scnc12 109779545 FFFBOMAKJPTUHD-GFCCVEGCSA-N 310.894 6.111 30 10 DKEE CCCCCCCCO[C@@H](c1ccc(Cl)cc1)[C@H](N)CC 109988889 GKCOFRXIASJPTG-MSOLQXFVSA-N 311.897 5.496 30 10 DKEE CCCCCCCCCC[C@@H](CCCc1cccs1)NN 122676674 DBYTZUMGTLDGKR-KRWDZBQOSA-N 310.551 5.434 30 10 DKEE CCCCCCCCCCN[C@@H](CC)c1cccc(Cl)c1 129282107 ALHARROHJFPZEM-IBGZPJMESA-N 309.925 6.521 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(Cl)cc2Cl)cc1F 135232293 BBJUOSYZXQJTKR-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCC[C@H](C)Nc1cccc(Br)c1C#N 168495773 ZAYYBGQNXHZHQB-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE Fc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F 514260346 XGAWKRNJKMHXMA-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCCCCCC[C@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698853027 GBCNANCLBYAGMI-LJQANCHMSA-N 324.509 5.522 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)CCC(C)C 710733476 AIJUKSCINBUHEF-MRXNPFEDSA-N 316.445 5.065 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(OCCC)cc1 1861872807 WYLZDRNNOXPDRN-UHFFFAOYSA-N 319.489 5.346 30 10 DKEE CCCCCCCCc1nc2ccccc2n1Cc1ccccc1 1873515394 NAJWXPORCQYOJX-UHFFFAOYSA-N 320.480 5.988 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 2013162847 HCQOYPBXXMLXRO-PWRODBHTSA-N 324.512 5.419 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(Br)cc1C 2040530469 RALABYBKJNCKIR-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE FC(F)c1cccc(OC(F)(F)F)c1SC(F)(F)F 2081028012 UWGFNONLACIKSJ-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccc(Br)cc1 2085848612 BSISJWGUAXCGTN-INIZCTEOSA-N 311.263 5.399 30 10 DKEE N#CC1(Cc2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H](C1)S2 2089751545 SNIRRJTVWMPYMR-ODOQXGPZSA-N 312.265 5.104 30 10 DKEE C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2Cl)c2ccsc2S1 2152743180 HFOLWJSCBGQQJC-YMTOWFKASA-N 320.870 5.311 30 10 DKEE C[C@@H]1C[C@](C#N)(C[C@H]2CCCC[C@@H]2C(F)(F)F)CCS1 2159721867 WMMSSQOIQRHREF-MQYQWHSLSA-N 305.409 5.171 30 10 DKEE C=C(CC)C[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164160594 GMROXNTWECTMRD-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1 2173629900 RCGXFACYUSCHQB-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE Cc1cc(OC[C@@H](CS)c2ccccc2)c(C)cc1Cl 2193331306 IEWWZUVIFRQCTK-HNNXBMFYSA-N 306.858 5.049 30 10 DKEE CCCC1(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)CCC1 2203953997 KXNGKOYUJNQCBL-CQSZACIVSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H](O)c1csc(Cl)c1 2207430849 ZALJEDABWDRTRO-HOCLYGCPSA-N 315.910 5.069 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1sc(OC)nc1Cl 2207431182 CETKFIUMGWHGJI-GFCCVEGCSA-N 317.882 5.145 30 10 DKEE C=CCCCCCCCCC[C@@H](CS[C@@H](C)CC)NN 2207434773 DQXZKJTYPQGIPE-IRXDYDNUSA-N 300.556 5.047 30 10 DKEE C=CCCCCCCCOCc1ccccc1Br 2220090132 VVSTVAQENDIFCD-UHFFFAOYSA-N 311.263 5.492 30 10 DKEE CC(C)(C)C#CCCNCc1c(Cl)ccc(Cl)c1Cl 2230508929 PXWPIURMKZUFOR-UHFFFAOYSA-N 318.675 5.176 30 10 DKEE C[C@H](CC(C)(C)C#N)Sc1nc(-c2ccccc2)cs1 2234273259 RUPFPYYCPRKPOV-GFCCVEGCSA-N 302.468 5.231 30 10 DKEE CCCCCCCCCO[C@H](C)C(=O)c1ccc(Cl)s1 2239538698 XZKNNABTIRXVGP-CYBMUJFWSA-N 316.894 5.740 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(C)c(F)c1Cl 2240619266 DEONWYNXXNWRBO-KRWDZBQOSA-N 300.845 5.746 30 10 DKEE Cc1c(Br)sc(C(=O)C2=CC[C@H](C)CC2)c1C 2247213507 ZBJXIJGXDYTIJU-QMMMGPOBSA-N 313.260 5.057 30 10 DKEE C=C[C@@](N)(c1cc(Br)cc(C(C)(C)C)c1)C(C)(C)C 2272999703 VSXPMVJJPCWTEV-QGZVFWFLSA-N 324.306 5.133 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1c(F)cccc1Br 2273936628 MPMXGTSYIYDSHY-INIZCTEOSA-N 324.237 5.241 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cccc(Cl)c1Cl 2287408046 DIRNJFRHKKKSDT-INIZCTEOSA-N 314.300 6.171 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2324155789 ROMSYIUYTSRWSK-UHFFFAOYSA-N 306.405 5.271 30 10 DKEE C=CCC(CC=C)[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 2338732527 KAQHSSKWXVGZNS-OAHLLOKOSA-N 303.204 5.108 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1ccc(Br)cc1CC 2344386239 VKNMYCVYQALHKM-INIZCTEOSA-N 324.306 5.264 30 10 DKEE CCCCCCCCC[C@](C)(SCCSC)C(=O)O 2351908153 ABTLXSQJIDEYHC-HNNXBMFYSA-N 306.537 5.067 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2365078545 MFYTXBGNSAWHAA-CZUORRHYSA-N 310.268 5.084 30 10 DKEE C#CCCCCC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2366402536 CHEOGWMZBZTGIJ-HNNXBMFYSA-N 316.247 5.367 30 10 DKEE C=CCCCCCCCC(=O)c1cc(F)c(Cl)cc1Cl 2377342645 IKWGIDNSXAWIFO-UHFFFAOYSA-N 317.231 6.232 30 10 DKEE Cc1ccc2nc(Cl)c(/C=C\C(=O)c3ccccc3)cc2c1 33932292 MFYDEDLDTMYCBI-NTMALXAHSA-N 307.780 5.093 30 10 DKEE Cc1ccc2nc(Cl)c(/C=C\C(=O)c3cccs3)cc2c1 33932298 UYVTVBMVQADYTA-ALCCZGGFSA-N 313.809 5.154 30 10 DKEE CCc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc1 64438680 XBXRACHRYHUTKU-UHFFFAOYSA-N 307.784 5.066 30 10 DKEE CCCC(CS)(CCC)CO[C@H]1C[C@@H](C)CC(C)(C)C1 94583968 FEHNMNCIXIWDOF-CVEARBPZSA-N 300.552 5.734 30 10 DKEE CCCCCCCOC(=O)c1cc(Cl)c2ccccc2n1 111678681 CCLVXNMKEHBBIM-UHFFFAOYSA-N 305.805 5.015 30 10 DKEE Cc1cc(N[C@H](C)c2ccc(Cl)cc2Cl)c(C#N)c(C)n1 156552445 GJGOYZQTKDXGED-SNVBAGLBSA-N 320.223 5.050 30 10 DKEE N#C[C@@H](Sc1ccccc1Br)C1CCCCCC1 167879404 DIACEKKSMUYEPE-OAHLLOKOSA-N 324.287 5.404 30 10 DKEE C=C(C)C[C@@H](NCC)c1ccc2cc(Br)ccc2c1 229736085 MKLXLIZKLLWIJL-QGZVFWFLSA-N 318.258 5.219 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232918372 NPVAXWNDDTZXGX-YVSFHVDLSA-N 318.592 5.504 30 10 DKEE C=CCCCCC[C@@H](NCC)c1csc(Br)c1 233610492 BCNNJDLTSPNQKV-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C=CCCCCCOc1c(Cl)cc(Cl)cc1C[C@@H](C)N 235223897 KKTKYMOKMFMJDC-GFCCVEGCSA-N 316.272 5.008 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)c(Cl)c1 235567140 MDBOURXDZNPVKL-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1ccc(C#N)c(Nc2cc(Cl)cc(Br)c2)c1 308336410 DNHZVUHHHAFZPW-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@@H](C)NC[C@H](C)COCc1ccccc1 389925563 VWEAXBWJXDXCBL-RBUKOAKNSA-N 305.506 5.178 30 10 DKEE CCCCCCCCCCCC[C@H](CCCSC)NN 401596162 VTOLOHAZOHQAJN-QGZVFWFLSA-N 302.572 5.273 30 10 DKEE CCCCCCCCC[S@@](=O)Cc1ccccc1Cl 526851705 QYTXKGZUTGEVOM-LJQANCHMSA-N 300.895 5.339 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@H]1C(C)C 698377375 NJOFYESUGDCTGR-TXPKVOOTSA-N 322.493 5.131 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCC[C@@H](CC)C1 698403853 AMFZBMQZRFJFBY-VVLHAWIVSA-N 322.493 5.131 30 10 DKEE CCCCCCCCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 1860236444 IYMFOXZIZNQEOP-UHFFFAOYSA-N 314.473 5.265 30 10 DKEE Cc1ccc(C(=O)ON=C2CCC(C(C)(C)C)CC2)cc1C 1860464700 PSBOUVQYSRUBNI-UHFFFAOYSA-N 301.430 5.053 30 10 DKEE CCCCCCCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 1961649095 SWBAATVFXOPEFM-IBGZPJMESA-N 303.490 5.027 30 10 DKEE C=C(COCc1ccccc1)C[C@H](NCCC)c1ccccc1C 2003647125 PLXNEXODEUDJAU-QFIPXVFZSA-N 323.480 5.199 30 10 DKEE CCCCCCCN[C@@H](C)c1ccc(C)c(Br)c1 2043812007 RPTPRBUHWAWVRJ-AWEZNQCLSA-N 312.295 5.379 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(C)nc1Br 2061205086 PAAJTZDMCVLYSK-LBPRGKRZSA-N 313.283 5.313 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccccc1C1CC1 2070132867 CRNGKXGNOMHMHC-MRXNPFEDSA-N 318.464 5.399 30 10 DKEE CC1(C)CCCC[C@]1(C)Nc1cc(Br)cc(C#N)c1 2103594438 JVWLXEZRMUSIGT-INIZCTEOSA-N 321.262 5.092 30 10 DKEE C=CCCCC[C@](C)(O)c1cc2cc(Br)ccc2o1 2123112743 WDBPUCVXMGRDSP-INIZCTEOSA-N 323.230 5.149 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1cc(Cl)cc(Cl)c1 2148591667 QAAMFHAVNMUXFT-CVEARBPZSA-N 318.288 5.105 30 10 DKEE C=C(C)CC[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164167011 YHWSECITRYNUEQ-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CC#CCCCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 2196213013 IPVMJJQNTJPHIH-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCC#CC[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2203972236 BPYJJDZOLFWVNU-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCCCCCC[C@H](NC)c1cscc1C(F)(F)F 2206885453 MFLLQLPSFQPSQW-AWEZNQCLSA-N 305.409 5.554 30 10 DKEE Cc1csc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c1C 2234256443 RLFZTBVUOPGLPW-SNVBAGLBSA-N 324.232 5.162 30 10 DKEE CCCCCCCCCOc1nc(Cl)nc2sccc12 2239457079 REQTUYDCVVRSBT-UHFFFAOYSA-N 312.866 5.474 30 10 DKEE C=CC1CC(Nc2cc(Cl)c(Br)cc2Cl)C1 2246034859 PJYFCUGDZLROOX-UHFFFAOYSA-N 321.045 5.132 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1sccc1Br 2250155384 CUCHPILTEDRWNE-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C=C(C)CCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2287470260 OIWFWCHBUFZQKF-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE CCCCCC#CC[C@H](O)c1sc(C(F)(F)F)cc1C 2295010316 BZMKPCNYDYDKRQ-LBPRGKRZSA-N 304.377 5.083 30 10 DKEE Cc1ccc(C(=O)C=CSc2nc3ccccc3s2)cc1 2297533879 XUZWRUOXZLJBCN-UHFFFAOYSA-N 311.431 5.093 30 10 DKEE CC(C)=CCC[C@@H](C)OCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2302724294 BGBNEBVNGZSQKJ-MRXNPFEDSA-N 322.298 5.106 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(OC)c(Cl)s1 2340344407 OQYPNDMZNDSKOX-GFCCVEGCSA-N 301.883 5.197 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340803900 ATRDONUSOROISN-MEBBXXQBSA-N 304.236 5.385 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1c(Cl)cc(F)cc1Cl 2344356601 MZQLUCJCDMCIBV-CABCVRRESA-N 304.236 5.385 30 10 DKEE C=C([C@@H](NCCC)c1ccc(F)c(C)c1Cl)[Si](C)(C)C 2364125675 XAWDOUQVLCFVLA-MRXNPFEDSA-N 313.920 5.262 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1ccc(C(F)(F)F)cc1Cl 2370525274 MHAFMMUMXGPWDQ-AWEZNQCLSA-N 304.739 5.534 30 10 DKEE Cc1cccc2nc(-c3ccc(C(C)C)cc3)c([C@H](C)C#N)n12 31915698 ORHWYLZYMTUIKP-CQSZACIVSA-N 303.409 5.060 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1 37424059 RWJZFCXOKZUMDC-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE Clc1ccc(Cl)c(N/N=C/c2cccc3ccccc23)c1 59160879 MVJRDENWXDZGSF-RGVLZGJSSA-N 315.203 5.593 30 10 DKEE C=C(C)COc1ccc2ccccc2c1CN[C@H]1CCC[C@H](C)C1 66117375 XOSSRBQEIARKSK-HKUYNNGSSA-N 323.480 5.463 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426881 BBBWJFHIPUJUJO-SGMGOOAPSA-N 308.878 5.182 30 10 DKEE Cc1ccc(C(C)C)c(OCC2(CS)CCCCCC2)c1 94582746 UAYJJBROIFNLRA-UHFFFAOYSA-N 306.515 5.768 30 10 DKEE C[C@H]1C[C@@H](OCCCCCCCCCS)CC(C)(C)C1 97799735 PGNNINBFWVGYFD-DLBZAZTESA-N 300.552 5.878 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1OCCC(C)C 100048578 DSWHBFQGJYNCAR-IBGZPJMESA-N 319.533 6.123 30 10 DKEE Cc1ccc(Nc2ccc(Cl)cc2C#N)cc1C(F)(F)F 110257082 YZBMRSANNCJESV-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCC[C@H](CNC)c1ccc(Br)cc1 118845895 DIGPJHIHVVDRRR-OAHLLOKOSA-N 312.295 5.113 30 10 DKEE Cc1c([C@@H](C)N[C@@H](C)c2ccc(C#N)s2)oc2ccccc12 134810894 FNQYFGTXGPAPQW-QWHCGFSZSA-N 310.422 5.086 30 10 DKEE CCCCCCC[C@H](Cc1cc(Br)cs1)NC 162917890 JPSKFWIHJUSDQV-CYBMUJFWSA-N 318.324 5.002 30 10 DKEE CCCCCCCCC(=O)c1c(F)c(F)c(F)c(F)c1F 164754556 RHDFXDQPKRJOFJ-UHFFFAOYSA-N 308.290 5.315 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1cc(C)c(C)s1 229285620 ZKQSWOOLVVPZQS-SFHVURJKSA-N 310.547 6.709 30 10 DKEE CCSc1cccc(NCCCCCCSC)c1C#N 233872900 LGGPFRHVSBFLBR-UHFFFAOYSA-N 308.516 5.006 30 10 DKEE Cc1ccc2c(c1)C(=Nc1ccccc1)c1nc3ccccc3nc1-2 254808852 QEYPMZALBWGJBW-UHFFFAOYSA-N 321.383 5.088 30 10 DKEE CCCCCCCCCCNCc1cc(Cl)sc1Cl 312640693 IKBSKIGFXJKODY-UHFFFAOYSA-N 322.345 6.285 30 10 DKEE FC(F)Oc1sc2ccc(C(F)F)cc2c1C(F)(F)F 725292518 AJZNMXFNMINVBK-UHFFFAOYSA-N 318.213 5.459 30 10 DKEE CCC(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 829348671 VKBCPXKTCGCCDT-INIZCTEOSA-N 316.445 5.065 30 10 DKEE CCCCOc1ccc(C#Cc2ccccc2C(F)(F)F)cc1 1614825763 NFPYQEMTYSWGSM-UHFFFAOYSA-N 318.338 5.284 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1 1857937340 ABWXRJOMVBCSGO-LPYMAVHISA-N 317.379 5.203 30 10 DKEE CCC[C@H](CS)CSCc1cccc(Br)c1 1902051647 XAIZDAQVSXODTG-GFCCVEGCSA-N 319.333 5.028 30 10 DKEE C=CCC(C)(C)[C@@H](C[C@H](C)COCc1ccccc1)NCCC 1903138094 YAJAABGFWCHTRO-AZUAARDMSA-N 317.517 5.200 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(Br)c(Cl)c1 1997252283 UYKWZQNZCMQIPB-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CC[C@H](c1ccc(C)cc1)n1nc(C(C)(C)C)c(C#N)c1Cl 2079034563 OJMNJTGYTVKKFN-OAHLLOKOSA-N 315.848 5.014 30 10 DKEE CCCCCCCC(=O)c1cc(F)c(Br)c(F)c1 2086078242 WWJMWUSCZVHLEY-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107939023 DYICGOQOQSEILU-GXFFZTMASA-N 318.675 5.654 30 10 DKEE N#Cc1cc(F)c(Nc2cc(Cl)ccc2Cl)cc1Cl 2120885144 VASLKQYLUNKBMU-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCCCCCN=c1[nH]cc(C(F)(F)F)s1 2156068029 SGZJYGLKNICUMO-UHFFFAOYSA-N 308.413 5.136 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1c(F)ccc(Cl)c1F 2164212796 QSHQRQJIOZRKOI-MEDUHNTESA-N 301.808 5.261 30 10 DKEE CC1(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)CCCCC1 2203958562 VLMRDFIYRSDWRQ-CQSZACIVSA-N 310.224 5.140 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1csc(C(F)F)n1 2206901569 CVHLLMZAMCGVMK-GFCCVEGCSA-N 302.434 5.258 30 10 DKEE C=CCCCCCCCNCc1sccc1Br 2214618988 SGWKJWHCPVSMPA-UHFFFAOYSA-N 316.308 5.127 30 10 DKEE CCCCCCCCC[C@@H](O)c1cccc(Br)n1 2221582922 IJGLRFZQIZSUJV-CQSZACIVSA-N 314.267 5.018 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(C)c(Cl)cc1F 2234757021 XSMHZQHNDRIBCT-INIZCTEOSA-N 300.849 5.043 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(F)ccc(F)c1Cl 2235520366 YUUOXYLWWQUXPV-CQSZACIVSA-N 301.808 5.535 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ccc(Cl)c(F)c1 2235818822 PAFYZVGHSQRZTE-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE C=C(C)CCCC[C@H](O)c1scc(Br)c1Cl 2244653251 UGHIJMPAXTTZLM-JTQLQIEISA-N 323.683 5.334 30 10 DKEE C=C(C)CCCCN(C)[C@@H](C)c1cscc1Br 2250142132 QDVLKQMMPZTFAH-LBPRGKRZSA-N 316.308 5.250 30 10 DKEE CN[C@@H](C#CC1CCCC1)c1c(Cl)ccc(Cl)c1Cl 2273899723 KJQAUOCPOBPOMD-ZDUSSCGKSA-N 316.659 5.101 30 10 DKEE C=CCCCCCCCS[C@H]1CCC(F)(F)[C@H]1NCC 2287189399 MJLUBHOMRJDDOI-GJZGRUSLSA-N 305.478 5.022 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(F)c(F)cc1Cl 2287467476 NTOWKCMPAGNEGX-INIZCTEOSA-N 301.808 5.405 30 10 DKEE C=CCN(Cc1ccccc1)C[C@@H](c1ccccc1)C1CCCC1 2303105294 OKDBFVIWRIKBHG-QHCPKHFHSA-N 319.492 5.649 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1ncc(C(F)F)s1 2369611500 VSJZELWUHKYLPT-GFCCVEGCSA-N 302.434 5.258 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2370486147 IGGGLOOXSKSXLM-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(Cl)c(C(F)F)s1 2371221788 DROIFZFXFYSYRR-HNNXBMFYSA-N 323.880 6.264 30 10 DKEE CC1C/C(=C\c2cccc(F)c2)C(=O)/C(=C/c2cccc(F)c2)C1 4826254 UILJQKRCZVEALE-ODPUSEOTSA-N 324.370 5.431 30 10 DKEE CC(C)c1ccccc1/N=C1/N[C@]2(CCC[C@@H](C)C2)CS1 53098932 GZRGXAQEEURAJA-KDOFPFPSSA-N 302.487 5.083 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(C)c1C 83193504 YATCTQPULDQYBB-YRNVUSSQSA-N 314.812 5.252 30 10 DKEE CCCC1(CCC)CC(C#N)(c2cc(Cl)ccc2OC)C1 86541434 FIINKXGDLKASFM-UHFFFAOYSA-N 305.849 5.490 30 10 DKEE CCC1CCC(C#N)(Cc2ccc(Br)s2)CC1 87933646 LCBAHOHHBQXBFJ-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE CC(C)C1CCC(C#N)(Cc2ccc(Cl)c(Cl)c2)CC1 87960134 IICYCITZVABJEK-UHFFFAOYSA-N 310.268 5.892 30 10 DKEE SC[C@H](COc1ccc(Cl)c(Cl)c1)c1ccccc1 94585468 GQBDXYSNUDYEPU-LBPRGKRZSA-N 313.249 5.086 30 10 DKEE CCCCCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 100419841 OSAOJFROSZAOQN-QGZVFWFLSA-N 303.490 5.075 30 10 DKEE CCCCCCCCCCCC[C@H](NN)c1scnc1C 122714653 BXGOTJTVXHHFPJ-INIZCTEOSA-N 311.539 5.267 30 10 DKEE CCCCCCCC[C@H](NN)c1cc2cccc(Cl)c2o1 125083795 HJUDMUHTLJNUEB-HNNXBMFYSA-N 308.853 5.341 30 10 DKEE CCCCCCC[C@H](NCC)c1cc2cc(Cl)ccc2o1 129354195 XMFNXXZKTYMBRM-INIZCTEOSA-N 307.865 6.097 30 10 DKEE CC(C)(C)C1CCC(CNc2ccc(Cl)c(C#N)c2)CC1 129828195 LMKLAKQSKVWXIB-UHFFFAOYSA-N 304.865 5.476 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)[C@H]1CCCS1 157650573 RVCPMGIIRQUSTN-RBUKOAKNSA-N 313.595 6.171 30 10 DKEE [C-]#[N+][C@@H]1[C@H](c2c[nH]c3ccccc23)[C@H](C(=C)C)CC[C@@]1(C)C=C 166307314 KGWATBYKCMCFLC-JWOSDPRPSA-N 304.437 5.718 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(Br)ccc1Cl 229758069 IFMJNTVCTHJSTE-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1CS[C@H](C)[C@H](C)S1 300107065 JYBLIGNOAOZURV-UGUYLWEFSA-N 303.581 5.080 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cc2Cl)C1 322684190 IWXOOVGXTASDIE-ISTVAULSSA-N 300.254 5.414 30 10 DKEE CCCCCCCCCC[C@@H](N)c1coc(Br)c1 385949550 IDNSSIYIYMBZCE-CQSZACIVSA-N 316.283 5.573 30 10 DKEE CCCCCCCC[C@@H](N)Cc1ccsc1Br 389011251 PGFGKARECVEGOV-CYBMUJFWSA-N 318.324 5.131 30 10 DKEE CCCCCCCCCC(=O)c1ccsc1C(F)(F)F 394928770 LHJPVYKTEYPXPL-UHFFFAOYSA-N 306.393 6.090 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc2ccccc2c1 698840792 OKGQHZRBUVAGGL-SFHVURJKSA-N 324.424 5.052 30 10 DKEE CCCCCCCN[C@H](CC)c1ccc(Cl)c(Cl)c1 703707616 DLHVZLNBAJFECS-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(C)cc1C 821220252 ZVSVPEFZMAVRET-CZIZESTLSA-N 301.817 5.288 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1scc(C)c1Br 1950857244 VEIDJEUTTNUREX-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)[C@H]1CCOC1 1995315498 GPLPRPPMGZQZOI-NRFANRHFSA-N 315.501 5.194 30 10 DKEE C=CC1(NCc2ccc(OCc3ccccc3)cc2)CCCCC1 2008710997 NLNARGFPVYGXTM-UHFFFAOYSA-N 321.464 5.244 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(Br)c(C)c1 2071980099 SBLFRSFLHKJRMH-WBMJQRKESA-N 310.279 5.010 30 10 DKEE N#C[C@@]1(Cc2cccc(Br)c2)CCCCC12CCC2 2116993990 HAHJJFAXSCUIBJ-KRWDZBQOSA-N 318.258 5.246 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(Cl)cc1Cl 2136598114 IGKKATOXAFAPRE-HNNXBMFYSA-N 322.707 6.268 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2138988401 VRMMHEQDCYWPCY-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1ccc(SC)s1 2149704592 ZUTFDYZFYPXNOD-INIZCTEOSA-N 314.516 5.213 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(SC(F)(F)F)cc1 2164262172 DHQBTHOWMJRVOG-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2c(Cl)cccc2Cl)C1 2168549499 XMDOZHIMEAGDOZ-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE C#Cc1cccc(N(CC)Cc2cc(Cl)ccc2Cl)c1 2179348020 QILSEYJJXBSDBQ-UHFFFAOYSA-N 304.220 5.001 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cc2cscc2s1 2196170170 UJOXNYRNWXBCLK-OAHLLOKOSA-N 305.512 5.587 30 10 DKEE C=CCCCCCC[C@@H](O)COc1ccc(Cl)cc1Cl 2206905955 OTZUXZVRZBFVJW-CQSZACIVSA-N 317.256 5.260 30 10 DKEE C=CCCCCCCC[C@H](NCC)[C@H]1SCCS[C@H]1C 2235518748 JKNMQPVXJNCIJB-ULQDDVLXSA-N 315.592 5.118 30 10 DKEE CCC[C@@H](CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2244771730 PXROZTQPBHGNQW-NVXWUHKLSA-N 316.445 5.147 30 10 DKEE CCCCCCCCCCNc1cnccc1Br 2264160834 RGXLLJOZMHEFDE-UHFFFAOYSA-N 313.283 5.397 30 10 DKEE C=CCCCCCCCSC[C@H](NCC)c1cccs1 2287190263 WNUTXNGOKUSRMD-INIZCTEOSA-N 311.560 5.659 30 10 DKEE N[C@@H](CC#CC1CCCC1)c1cc(-c2cccs2)cs1 2289840242 NPXSMDONKHZVFO-HNNXBMFYSA-N 301.480 5.060 30 10 DKEE CCOc1ccc(NC=CC(=O)c2ccc3ccccc3c2)cc1 2297329217 LXMIMOIREZFLNR-UHFFFAOYSA-N 317.388 5.047 30 10 DKEE C=CCC(CC=C)Oc1ccc2ccccc2c1Br 2338727420 KUOMEGRSMOGPFE-UHFFFAOYSA-N 317.226 5.502 30 10 DKEE C=C(C(=O)CCc1cc(Cl)cc(Cl)c1)c1ccccc1 2366852500 HLMCFENGTLGSHM-UHFFFAOYSA-N 305.204 5.209 30 10 DKEE CC1CCC(C=O)(CCCCC(F)(F)C(F)(F)F)CC1 2368177409 QJADZKPTRSVBQX-UHFFFAOYSA-N 300.311 5.140 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 2370537532 YUCPJMFBBBQFSW-KBPBESRZSA-N 305.771 5.351 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2F)C1 37154583 JFFDGWKPCGUGMN-JKIFEVAISA-N 305.462 5.662 30 10 DKEE CC(C)c1ccccc1/N=C1/N[C@@]2(CCC[C@H](C)C2)CS1 53098930 GZRGXAQEEURAJA-KBXCAEBGSA-N 302.487 5.083 30 10 DKEE N#C[C@H](CCOc1cccc2ccccc12)c1cccc(F)c1 57688379 OFBHRKTUWVFJBE-KRWDZBQOSA-N 305.352 5.055 30 10 DKEE COc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 83194252 USVTVKZGWLRNEV-UKTHLTGXSA-N 308.421 5.197 30 10 DKEE C=CCc1cc(C=O)cc(C(C)(C)C)c1OCCCCCCC 100132548 FYDAAFWOUWKVIH-UHFFFAOYSA-N 316.485 5.874 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NC 109724915 SYHRVCQJAYYRSB-INIZCTEOSA-N 316.316 5.875 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 109901082 HHRJAAWKWDHFNW-POZUXBRTSA-N 301.499 5.591 30 10 DKEE CCCCCCC[C@H](O)c1cc(C)c(Br)cc1C 112336921 LPBRODKAJHHHOW-INIZCTEOSA-N 313.279 5.460 30 10 DKEE CCCCCCCCC[C@H](CSC1CCCCC1)NCC 115822064 RBIQJTLEZNEDAW-GOSISDBHSA-N 313.595 6.171 30 10 DKEE CCCCCCCC[C@H](CSc1ccccc1F)NCC 117374226 OROYOBRNJNJBCK-MRXNPFEDSA-N 311.510 5.647 30 10 DKEE CCCCCCCCC[C@@H](NN)c1ccc(Cl)cc1Cl 122200238 ZESSPLZSFOLLBO-MRXNPFEDSA-N 317.304 5.639 30 10 DKEE CCCCCCCCCCNc1nccc(C(F)(F)F)n1 129400628 WFYQSZYCQPXNJD-UHFFFAOYSA-N 303.372 5.048 30 10 DKEE CCCCCCCCCOc1ccc([C@@H](C)NC)cc1Cl 130613438 UBXLLWCMQHOGAJ-OAHLLOKOSA-N 311.897 5.750 30 10 DKEE C=CCSc1ccccc1NCc1cccc(Cl)c1F 166729960 CPZGXNZAVWEJGC-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE Cc1ccc(Nc2cccc(Cl)c2Br)c(C#N)c1 235866351 HOQUOXITUSWGRI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccccc1C#N 243266696 KWFMRMTYXMPYAT-UHFFFAOYSA-N 321.424 5.449 30 10 DKEE CCC[C@@](C#N)(Nc1ccccc1Br)C1CCCC1 313477678 LJESPXFDWLYLQN-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H](C)c1ccc(C)s1 387203051 CVPGJHJJPLUKNH-HNNXBMFYSA-N 313.576 5.566 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@H]1C(C)(C)C 698965612 QCWRMMXFRFJFDM-HNAYVOBHSA-N 322.493 5.132 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@](C#N)(CC)CC1CCCCC1 720376904 PRAGVNAXMJFYOV-IBGZPJMESA-N 322.493 5.276 30 10 DKEE CCc1ccc(C#Cc2ccc(Cl)c(Br)c2)cc1 1614827678 XIDZEJLCPUHGPD-UHFFFAOYSA-N 319.629 5.065 30 10 DKEE CCCCCCCCNC(=O)c1ccc(CSC(C)C)cc1 1872890803 QTCWOZGKKUASRQ-UHFFFAOYSA-N 321.530 5.419 30 10 DKEE C=C(C)C[C@H](NCCC)c1sc(CC)cc1Br 2000448110 FBOJYNINBKLYGE-ZDUSSCGKSA-N 316.308 5.080 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(Cl)cc1Br 2011350570 CBGXCFSEQXVVMJ-ZDUSSCGKSA-N 320.633 5.017 30 10 DKEE CC[C@](C#N)(Cc1cc(Cl)ccc1Br)C(C)C 2012407619 CFCJXQGXOLJWPS-CQSZACIVSA-N 314.654 5.221 30 10 DKEE CC[C@H]1CC[C@](C#N)(Cc2cccc(Br)c2C)C1 2027193112 DEXOEHMVVLGIHQ-XJKSGUPXSA-N 306.247 5.020 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)cc2Br)CCC12CCC2 2047964681 IPTIPBGCIIQPFF-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1c(Cl)cncc1Cl 2107969818 UHPLZKKIHXBGMP-XHDPSFHLSA-N 301.261 5.031 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1ccc(C)c(Br)c1C 2108007287 TUPXDMKSSYVOCV-HOCLYGCPSA-N 322.290 5.073 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(C)ccc1Br 2123087393 AZVOJURIOXCFDB-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](c1ccco1)c1ccc(Cl)s1 2152865724 QEHACLNVMVQHBK-BLLLJJGKSA-N 309.862 5.418 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OC[C@H](CS)CC1CC1 2169172947 IECBTMHIEXUCKG-CQSZACIVSA-N 312.906 5.497 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)c(F)cc1F 2179367235 MMRWPTPNAUIYFD-INIZCTEOSA-N 303.824 5.629 30 10 DKEE CCCCCCCCCCN[C@H]1CS[C@@H](C(F)(F)F)C1 2189226335 ZNXIJGJKTUONBS-ZIAGYGMSSA-N 311.457 5.153 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1cc(Cl)sc1C 2207441837 LLOGDYRTFPTOGK-MRXNPFEDSA-N 313.938 6.277 30 10 DKEE C=C(C)CC[C@@H](N)c1c(Cl)cc(Br)cc1Cl 2243539636 WWROATOVOFLAAV-LLVKDONJSA-N 323.061 5.112 30 10 DKEE C=C(C)CC[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2254725305 BACIWECCMCZGOA-MRXNPFEDSA-N 310.279 5.189 30 10 DKEE CCCCCCC[C@H](O)c1cc(Br)c(F)cc1C 2258015622 SMHNAWYKFPQZIT-HNNXBMFYSA-N 317.242 5.291 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2268758640 IKGMKMYTRVSKJT-LBPRGKRZSA-N 316.297 5.311 30 10 DKEE CSc1cccc(Nc2cc(Cl)c(Cl)cc2C)c1C#N 2281507954 HMHDOSJYHYBUKV-UHFFFAOYSA-N 323.248 5.639 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(C(F)(F)F)cc1Cl 2287408642 KRBOBBYLVJWKNW-CQSZACIVSA-N 305.771 5.495 30 10 DKEE CCCCCCCC[C@@H](OCCCN)c1csc(Cl)c1 2293307368 VKJHIORQEWXCSL-OAHLLOKOSA-N 317.926 5.559 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](N)c1cc2sccc2s1 2295507193 RUQOWQZPENZMRJ-CVEARBPZSA-N 311.516 5.074 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ncc(Cl)cc1F 2295595791 CNWMOYKOQVILIQ-MRXNPFEDSA-N 301.833 5.222 30 10 DKEE Cc1cc(C(=O)C=Cc2ccc(OC(C)C)cc2)ccc1Cl 2295967814 UGCSXBYTSSNQIZ-UHFFFAOYSA-N 314.812 5.332 30 10 DKEE C=CCC(CC=C)[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 2338690049 BSAXICZBORVPPO-OAHLLOKOSA-N 303.204 5.108 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)CCc1cc(Cl)cc(Cl)c1 2344342527 KOYBXBPSRUNPDN-HZPDHXFCSA-N 300.273 5.246 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1c(Cl)cc(C)cc1Cl 2353056406 IKHIPZZNCCNXKR-WBMJQRKESA-N 300.273 5.555 30 10 DKEE Cc1cc(OCc2ccc(Cl)c(Cl)c2C)ccc1C#N 2364217771 FHYOXHKSBIHAFB-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE CCCN[C@H](C#CC(C)(C)C)c1c(Cl)cc(F)cc1Cl 2366415580 UNUOPAUCWMFUME-CQSZACIVSA-N 316.247 5.223 30 10 DKEE N#CC1(COCc2cc(F)c(Cl)cc2Cl)CCCCC1 2377402580 FNIZHRGKACIQAP-UHFFFAOYSA-N 316.203 5.123 30 10 DKEE CC(C)C1=CC(=Nc2nc3ccccc3s2)C=C(C(C)C)C1=O 4269586 CUBCIORQMQFKNX-UHFFFAOYSA-N 324.449 5.116 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 14460237 NEAKMVZDHXILFH-JZXOWHBKSA-N 306.796 5.038 30 10 DKEE C/C(=C\CCC(C)C)C(=O)CC[C@H](C)CCC[C@H](C)CC(=O)O 71404731 MIWRWJAQQDMVLP-BEJYRLFGSA-N 324.505 5.635 30 10 DKEE Cc1cc(OC(C)C)c(C)c(C)c1C(=O)/C=C/c1ccccc1 83193450 UJBCNEOLNDMBTG-VAWYXSNFSA-N 308.421 5.295 30 10 DKEE CCC[C@H](CS)COc1cc(C(C)C)c(Cl)cc1C 94584393 DIMCEXDVWJCPLC-ZDUSSCGKSA-N 300.895 5.497 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3)cc2)s1 103044118 BAUKMCUXZVURBC-RAXLEYEMSA-N 304.414 5.620 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(Cl)ccc2nsnc12 115878583 BZXFZJMFYVKLOE-LLVKDONJSA-N 311.882 5.506 30 10 DKEE CCCCCCC[C@H](Cc1nc2ccccc2s1)NCC 116000405 LJVUSTRMUQFIGQ-OAHLLOKOSA-N 304.503 5.177 30 10 DKEE CCCCCCC[C@H](CNCCOC)c1ccc(Cl)cc1 118845372 HMMQTTPDPLALEC-QGZVFWFLSA-N 311.897 5.020 30 10 DKEE CCCCCC(C)(C)CNc1cc(Br)ccc1C#N 123351682 FYXHYXLNBSGBOT-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE CCCCCCCCCCN[C@H](C)c1ccc(SC)cc1 129255615 NXELXKUMAJJPEN-QGZVFWFLSA-N 307.547 6.200 30 10 DKEE CCCCCCCCC[C@@H](NC)c1c(Cl)cccc1Cl 157914581 PVWCQWRADPXPLT-MRXNPFEDSA-N 316.316 6.395 30 10 DKEE CCCCCCCC[C@H](NC)c1cccc(Cl)c1Cl 159038155 FNQGDFLXDHFYSQ-HNNXBMFYSA-N 302.289 6.005 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1nc(C)c(C)s1 228885570 WGDBALBWKLVBOT-QGZVFWFLSA-N 310.551 5.551 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1cc(Cl)c(F)c(Cl)c1 232035627 XGLYBHDBDIGGTI-RNCFNFMXSA-N 301.192 5.017 30 10 DKEE CCc1nc(C)cn1[C@H]1CCCCCCCCCCC1=NO 254615102 SFJRISMOOBVMPN-KRWDZBQOSA-N 305.466 5.040 30 10 DKEE C[C@H](CC1CCCCC1)Nc1ccc(C#N)cc1Br 709754720 LLZFFWMTRZMTGV-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1F)c1ccc(CC)cc1 821217036 AWZARPTWYKGUGT-DYTRJAOYSA-N 319.807 5.372 30 10 DKEE CCN(CC)c1ccc(C#Cc2c(Cl)cccc2Cl)cc1 1614825991 DNLQNDCFPNEOKL-UHFFFAOYSA-N 318.247 5.239 30 10 DKEE N#Cc1ncc(Cl)cc1-c1c(Cl)cc(Cl)cc1Cl 1848370560 UYPKAIBYPLMDPF-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCCCCCCCCn1c(CS)nc2cc(C)ccc21 1857801837 KRIXWQPQIAFLJY-UHFFFAOYSA-N 304.503 5.525 30 10 DKEE CCCCCCCOc1cccnc1NC(=O)CCCCCC 1858741903 ACANHCONVXZLCB-UHFFFAOYSA-N 320.477 5.340 30 10 DKEE CCCCCCCCCCN=c1ccc(-c2ccccc2)n[nH]1 1859792861 QWZQFLXYJZXYNU-UHFFFAOYSA-N 311.473 5.118 30 10 DKEE CC1(C)CCC[C@@](C)(Nc2cc(Br)cc(C#N)c2)C1 1877822403 HDMDLBAWSYWNMK-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@]1(N)C[C@H](C)Sc2sccc21 1920209654 QKBYVAHCMYZLPL-YOEHRIQHSA-N 311.560 5.927 30 10 DKEE C=C([C@H](NCCC)c1sccc1Br)C(C)(C)C 1947437243 PJQIYIXUJHXAQI-LBPRGKRZSA-N 316.308 5.154 30 10 DKEE CCCCCCC[C@H](NC)c1sc(Br)cc1C 1950207309 FNQAYFXNPJWTCW-LBPRGKRZSA-N 318.324 5.440 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCC1 1961040457 VHXMEUTUUYEEMM-UHFFFAOYSA-N 308.466 5.029 30 10 DKEE C=C(C)c1cc(NC(=O)OC(C)(C)C)ccc1C(F)(F)F 2081100027 FDFVQWZCGMGCCQ-UHFFFAOYSA-N 301.308 5.086 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ncc(Cl)s1 2107963645 MVSZZACKTIESNL-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE N#C[C@]1(Cc2ccc(Br)cc2)CCCCC12CCC2 2116997601 UZGWRAZDBWPBLP-QGZVFWFLSA-N 318.258 5.246 30 10 DKEE CCC(C)(C)c1c(C#N)oc2cc(C)c(Br)c(C)c12 2137728861 JSPMXGHHELWWNO-UHFFFAOYSA-N 320.230 5.371 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1cc(Cl)ns1 2207427649 OSDHTXICYYKWKZ-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE CCCCCCCC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234054094 PNEVKOWTBQOSOO-AWEZNQCLSA-N 312.240 5.530 30 10 DKEE O=C(CC#CC1CCCC1)c1ccc(OCc2ccccc2)cc1 2251519572 MSMVOALJAMJQHK-UHFFFAOYSA-N 318.416 5.032 30 10 DKEE CC(C)(C)C#CC=CCc1cc(Cl)c(Cl)c(Cl)c1 2256693183 APMTYJQJHSCRCE-UHFFFAOYSA-N 301.644 5.795 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1cc(Cl)sc1Cl 2274132529 ZTDUDHOTSIRYFI-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE CCCCCCC[C@@](C)(OCC(=O)O)c1ccsc1Cl 2292051965 FBGHCLYFOSFKAB-OAHLLOKOSA-N 318.866 5.078 30 10 DKEE Cc1ccc(C(=O)C=COc2c(C)cc(Cl)cc2Cl)cc1 2297535726 WWWWBAXJGDHEHQ-UHFFFAOYSA-N 321.203 5.386 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(Cl)cc(F)c1Cl 2344386287 VRYKNAVDHIRNMT-CQSZACIVSA-N 304.236 5.385 30 10 DKEE C=CCC(CC=C)Sc1ccc(CNC2CC2)c(Cl)c1 2360368173 LOGCCLCOJFZDRH-UHFFFAOYSA-N 307.890 5.205 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1cccc(C)c1)[C@H]1CC=C[C@H]21 14480224 XLEMSSFYSAUHKR-WFXMLNOXSA-N 317.432 5.386 30 10 DKEE CCCCCCCCCOc1c(Cl)cc(N)cc1Cl 59213267 KUGSFEWFLFQVCS-UHFFFAOYSA-N 304.261 5.705 30 10 DKEE CCCCCCCCNc1cc(NC(=O)CC)ccc1Cl 59422962 VBDLELSSDRGNGU-UHFFFAOYSA-N 310.869 5.461 30 10 DKEE CCCCCCCCOCC(=O)c1ccc(Cl)c(Cl)c1 59526255 QOUFTLVOXGGCGZ-UHFFFAOYSA-N 317.256 5.553 30 10 DKEE Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc12 83204422 NDWDTZONGXNNFX-UKTHLTGXSA-N 306.792 5.698 30 10 DKEE SCC1(CSc2ccc3c(c2)CCC3)CCCCCC1 94588884 GZFWUPMHVZLVRO-UHFFFAOYSA-N 306.540 5.538 30 10 DKEE CCCCCCC[C@H](Cc1c(F)cccc1Cl)NCCC 110518471 VSIHDXVSPAKGQY-OAHLLOKOSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCCCC[S@](=O)c1ccc(N)cc1 112957495 HESRDUPBXWQSNG-OAQYLSRUSA-N 309.519 5.297 30 10 DKEE CCCCCCCCC[C@H](NN)c1ccc(Cl)cc1F 126205058 KYYCFNOAGRQNPJ-INIZCTEOSA-N 300.849 5.124 30 10 DKEE COc1cc(C#N)ccc1N[C@@H](C)c1ccc(Cl)cc1Cl 129884126 RECILOLEDXPHKF-JTQLQIEISA-N 321.207 5.047 30 10 DKEE CC(=O)c1ccc(C#N)cc1Sc1cc(Cl)ccc1Cl 131382809 XYVGKIAKYPDBNM-UHFFFAOYSA-N 322.216 5.219 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc2sccc2s1 157898165 ABKZZRSCWJHAJP-AWEZNQCLSA-N 309.544 6.364 30 10 DKEE CCCCCCCCCCNc1ccc(C(N)=S)c(F)c1 160570704 YSCNIYVRCRAYDL-UHFFFAOYSA-N 310.482 5.013 30 10 DKEE CCCCCCCCC[C@H](Cc1ccc(Cl)s1)NCC 160960467 XQZUFSHTZDKKKT-OAHLLOKOSA-N 315.954 6.063 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(C(C)(C)C)s1 165563141 VSVQUKFUVVMQFX-INIZCTEOSA-N 309.563 6.447 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Br)ccc1Cl 167742303 FDRYJVQSFUTRIJ-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCCCCCCCS 217865675 ZBEVVONDBFPNRD-QRVBRYPASA-N 314.579 6.124 30 10 DKEE CCCCCCCCCCNc1nc(N)c(Cl)cc1Cl 226603962 CNOCWCSWSZHWHJ-UHFFFAOYSA-N 318.292 5.523 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(Br)cc1C(F)(F)F 228824095 RVPGHODATRSKMR-SECBINFHSA-N 322.168 5.235 30 10 DKEE CCCCCCCC[C@H](NCC)c1cccc2ccsc12 228973617 JNQVJDXVADQGFJ-SFHVURJKSA-N 303.515 6.303 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(C)c(Br)c(C)c1 235758231 ZMEUZFNADPFGPJ-OAHLLOKOSA-N 311.263 5.236 30 10 DKEE N#Cc1c(N=Cc2cccc(Cl)c2Cl)sc2c1CCC2 254401092 AVPDBIJWTPVSBA-UHFFFAOYSA-N 321.232 5.166 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccccc1OCc1ccccc1 384018781 QTYKGSTWJBFXPT-NRFANRHFSA-N 323.480 5.663 30 10 DKEE Cc1cc(C#N)cc(N[C@H](C)c2c(Cl)cccc2Cl)c1 400800802 DEERJBICFVQHAV-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCC(=O)CCNC(=O)OC(C)(C)C 405677979 MEVXTQXMMHADPX-UHFFFAOYSA-N 313.482 5.001 30 10 DKEE C=CCCC[C@@H](N)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 407148272 JWIHOUBGMJALCD-CQSZACIVSA-N 324.852 5.043 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccsc1Cl)NCC 687836181 JXDGVFVPVMETIH-INIZCTEOSA-N 315.954 6.063 30 10 DKEE CCCCCCCCCNc1ccc(SC(F)F)cc1 690179333 JITZRLOIBMKXNO-UHFFFAOYSA-N 301.446 6.164 30 10 DKEE C=CCCCCCCN[C@@H](C)c1ccc(C(F)(F)F)s1 717917952 DMYGNJWABGVHKG-LBPRGKRZSA-N 305.409 5.554 30 10 DKEE CCCCCCCCCNCCc1cc(Cl)sc1Cl 1883075731 XFYOWQOLHVPXRT-UHFFFAOYSA-N 322.345 5.938 30 10 DKEE CCCCCCCCCC(=O)c1cc(C)c(Br)o1 1917597222 SJPCQEFNPPBBRP-UHFFFAOYSA-N 315.251 5.674 30 10 DKEE C=C([C@@H](NCCC)c1csc(C(F)(F)F)c1)[Si](C)(C)C 1922962535 KPGGBTKVQZOBKU-CYBMUJFWSA-N 321.484 5.241 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)CC2CCC2)cc1Cl 1932003161 GGHXNACZZCVAFW-UHFFFAOYSA-N 310.828 5.018 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)CC2CCC2)C1 1946844746 HVMLMHOJFQGCTF-QIJUGHKUSA-N 324.512 5.397 30 10 DKEE C=CC1(C[C@@H](NC)c2ccccc2OCc2ccccc2)CCC1 2002638979 LRSOLRLTWIGAHM-HXUWFJFHSA-N 321.464 5.273 30 10 DKEE C=CCCCCC[C@@H](O)c1c(Cl)cccc1Br 2003560942 OWXXLMSSCRZIMV-CYBMUJFWSA-N 317.654 5.272 30 10 DKEE C=CCCCCC[C@](C)(O)c1ccc(OCc2ccccc2)cc1 2019789268 GTOKKOIPUOLVSF-QFIPXVFZSA-N 324.464 5.610 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(C)cc(Br)c1F 2028934119 VLGRBYGPRODFRU-CQSZACIVSA-N 315.226 5.067 30 10 DKEE CC1=CC(=C2C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O 2039936728 UTSXCYFVGSFPGR-UHFFFAOYSA-N 324.464 5.286 30 10 DKEE C=CCCCCC[C@H](NCCC)c1scc(Cl)c1Cl 2096218097 GIOSCONUKBSSES-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(C)c(Br)c1 2102112621 UEROKGQKKQPOCG-PBHICJAKSA-N 324.306 5.401 30 10 DKEE C=C1CC([C@H](NCCC)c2cc(Cl)c(Cl)cc2Cl)C1 2136600331 GOUWIXDZQKDOFZ-HNNXBMFYSA-N 318.675 5.654 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cccc(Cl)c2Cl)CCC1 2168032029 WBCYTCPGNWFIHV-OAHLLOKOSA-N 312.284 5.781 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@H]1N 2172985847 AUVIRKZZQWFIGE-MBOZVWFJSA-N 301.455 5.247 30 10 DKEE CCCCCCCCCCCCN1CCC(Cl)=C(Cl)C1 2195923899 JPRCKHFPTSVQEH-UHFFFAOYSA-N 320.348 6.302 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(C)ccc(Cl)c1F 2201692693 ANPDQXMGAVRVRO-OAHLLOKOSA-N 300.845 5.962 30 10 DKEE CCCC#CC[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2203834259 QBRGJEAYTNJZHW-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE CCCCCCCC[C@H](O)c1c(OC)ccc(Cl)c1F 2207325389 JJNOGCCRXZCFPE-ZDUSSCGKSA-N 302.817 5.272 30 10 DKEE C=CCCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NCC 2235537890 FSMFWNKHALPRHO-IRXDYDNUSA-N 301.455 5.283 30 10 DKEE CC(C)(C)C#CC=CCNc1ccc(OCc2ccccc2)cc1 2248466420 BAFRDZTVBGLIGZ-UHFFFAOYSA-N 319.448 5.283 30 10 DKEE C=CC1(NCc2cc(Br)cc(C(C)C)c2)CCCC1 2265992575 XVYXSMKGQXFTFY-UHFFFAOYSA-N 322.290 5.161 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2269340778 UPHRHDKLVJYYJX-MEDUHNTESA-N 300.273 5.555 30 10 DKEE C=CCCCCC[C@H](NC)c1sc(C(F)(F)F)cc1C 2295001996 RZBPWNIRQATYOW-LBPRGKRZSA-N 305.409 5.472 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc(C)ccc1Br 2338742957 ALCIDSDGWQMHED-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE C=CCC(CC=C)C[C@H](NCC)c1ccc(Br)cc1 2338743752 IOOIVRGTEALGJD-KRWDZBQOSA-N 322.290 5.258 30 10 DKEE C=C1CC(C[C@H](NCC)c2cc(F)c(Cl)cc2Cl)C1 2349851542 DINKLVZKYZMPJF-HNNXBMFYSA-N 302.220 5.139 30 10 DKEE CCCCCCCCC[C@](C)(CCSC)OCCCN 2365654453 PUWVHRYIQCSBEH-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(Cl)c1C(F)(F)F 2370481271 CCJLWVCAUOELRJ-UONOGXRCSA-N 305.771 5.351 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1ccc(C(F)(F)F)cc1Cl 2370500403 DZHHQJJVNYQRKR-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE C=CCCCCCCCNCc1cc(F)c(Cl)cc1Cl 2377640406 SHGUZUVNKAGHDV-UHFFFAOYSA-N 318.263 5.749 30 10 DKEE CC(C)=C1Oc2c(ccc(OCc3cc(C)ccc3C)c2C)C1=O 41433467 UTDWCCOZNCAKGB-UHFFFAOYSA-N 322.404 5.060 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(OC(F)F)c(Cl)c1 59090024 KFWJUXGAFCAVEJ-LBPRGKRZSA-N 319.823 6.102 30 10 DKEE CCCCCCCCO[C@@H](c1cccc(Cl)c1)[C@H](N)CC 109988812 QAKNXBWHCWYZQH-MSOLQXFVSA-N 311.897 5.496 30 10 DKEE CCCCCCCCc1noc(N)c1-c1ccccc1Cl 115858539 SRLDPEAYTKRFPI-UHFFFAOYSA-N 306.837 5.480 30 10 DKEE CSc1cccc(Sc2nc3ccccc3s2)c1C#N 136987712 KPQHUOCTSFLRNB-UHFFFAOYSA-N 314.460 5.041 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1CSc2ccccc21 139672661 KDOOEDKTAMEUNJ-MSOLQXFVSA-N 305.531 5.605 30 10 DKEE Cc1cc(Oc2ccc(Cl)cc2C#N)ccc1Br 157075603 RDDCFWLYBRUECD-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC(C)(CCC#N)CNc1cc(Cl)cc(C(F)(F)F)c1 168987287 QKCPORSWXYVNGW-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE O=C(/C=C\c1nc(-c2ccccc2)c[nH]1)c1ccc2ccccc2c1 222060359 HWHQXVBGBDJSHT-SEYXRHQNSA-N 324.383 5.126 30 10 DKEE CC(C)(CCC#N)CNc1c(Cl)cccc1C(F)(F)F 229672605 KBNWASZYNFKJNT-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE CCCc1c(-c2cc(Cl)sc2Cl)sc(C#N)c1N 233398385 KWVWYQGXRXHAFZ-UHFFFAOYSA-N 317.266 5.190 30 10 DKEE COc1ccccc1Oc1ccc(N=Cc2ccc(C)cc2)cc1 254712127 ALJLLJURBVOYOA-UHFFFAOYSA-N 317.388 5.547 30 10 DKEE N#Cc1cc(F)cc(Nc2ccccc2OCc2ccccc2)c1 310086763 HFHPAUGORHUTDS-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CC[C@H](C)[C@H](C)[C@H](C#N)Sc1ccc(Br)cc1 319711198 DWXPYZPKJJHXLH-MJVIPROJSA-N 312.276 5.116 30 10 DKEE N#Cc1ccc(CSc2ccc(Cl)cc2Cl)c(F)c1 322530437 PNNKUUNBEKLAJP-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)C1(C)CCC1 686138635 LWGFIUDCIFFNQU-INIZCTEOSA-N 320.477 5.029 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(F)c(Cl)c1F 689604686 GJOWVOKBSXJZLH-CQSZACIVSA-N 303.824 5.629 30 10 DKEE CCc1ccc(N=C2N[C@@H](CC(C)(C)C)CS2)cc1Cl 691294657 TXHMASVOFVYKOZ-ZDUSSCGKSA-N 310.894 5.031 30 10 DKEE CCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698481971 BVGAVHZBOJTQAA-HOTGVXAUSA-N 310.482 5.275 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC[C@@H]1CC 710717770 IQODSZUIYJLEOU-TXPKVOOTSA-N 322.493 5.275 30 10 DKEE C=C1CCC(C[C@H](NC)c2c(C)cccc2Br)CC1 724598508 BQYDPYQKZRNOJQ-INIZCTEOSA-N 322.290 5.155 30 10 DKEE Fc1ccc(-c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1 1848363738 NIFPYFVRMXVLBB-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(Cl)sc1Cl 1919526065 POWKZJSUCGTCRM-AWEZNQCLSA-N 308.318 5.979 30 10 DKEE SCC1(CN(Cc2ccccc2)CC2CCCCC2)CCC1 1931884242 QZRJBXCDHZNRSU-UHFFFAOYSA-N 317.542 5.169 30 10 DKEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCCC(C)(C)CC1 1939900087 NURSQYDFSFXDLC-GHTZIAJQSA-N 313.485 5.730 30 10 DKEE CC(C)(C)[C@@H]1CCc2sc([C@@H](C#N)C(F)(F)F)cc2C1 1952641694 DNIMBDJUOBEXBI-GHMZBOCLSA-N 301.377 5.069 30 10 DKEE C=CCC[C@H](NCC)c1cc(Cl)c(C)c(Br)c1 2002242017 JMGUMHXQXYUVIN-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE CCCCCCCCCOc1cc(C)cnc1Br 2077783175 DAUBESAWVJWDGI-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(Br)ccc1C 2082466503 ORMOFHUFKSFYMI-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2096546579 RKSUZAIRRXOZTB-QWRGUYRKSA-N 320.691 6.042 30 10 DKEE CCCN[C@H](CC#C[Si](C)(C)C)c1scc(C)c1Cl 2130935493 RQDMXVSFBUUUOJ-CYBMUJFWSA-N 313.970 5.022 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cc3cscc3s2)C1 2168537473 ZXHCPVFBMCXYAC-GDBMZVCRSA-N 305.468 5.106 30 10 DKEE N#Cc1ccc(Oc2ccc3ccc(Br)cc3c2)cc1 2207499327 BBPIREZWIDFUCE-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE C=C(C)CCCCOc1ccc(Br)c(Cl)c1 2244628265 BWXMDCULVIWZEQ-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE C=C(C)CCCCC(=O)c1cc2cccc(Br)c2o1 2271758848 PGHKJUUHZNUNFY-UHFFFAOYSA-N 321.214 5.515 30 10 DKEE Cc1ccc2c(c1)C(=O)C(=Cc1ccc(OCCC(C)C)cc1)O2 2314519387 MCBLHIFYMWZACI-UHFFFAOYSA-N 322.404 5.036 30 10 DKEE C=CC[C@H](C)SC[C@H](NCC)c1cc(Cl)ccc1Cl 2335098175 HGCFPOAALKTCDB-NHYWBVRUSA-N 318.313 5.342 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2344381153 UAUVRMWOSYDROT-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE C=CC[C@H](CCCc1cc(Cl)cc(Cl)c1)CNC1CC1 2366900896 RPCJZPCGVJMTQL-CYBMUJFWSA-N 312.284 5.260 30 10 DKEE CSc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@H]32)cc1 20758635 YPCHZHSFIHKDNY-HLIPFELVSA-N 318.445 5.107 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1/C=C/C(=O)O 59208089 VJBILWCLXQGKPX-DHZHZOJOSA-N 310.821 5.177 30 10 DKEE N#Cc1ccc(OCc2c(Cl)cccc2Cl)c(Cl)c1 70137920 YHNZPBISBCUMJZ-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CC1(C)CCC[C@](C#N)(Nc2cccc(Br)c2)CC1 86914187 DZOHECJGXPKYJM-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCCC[C@H](CC)[C@H](O)C#Cc1ccc(Oc2ccccc2)cc1 95633819 MYBRFJOSSRAOHK-SIKLNZKXSA-N 322.448 5.408 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CS[C@H](C)CC 115645869 VJVBPTFFQKKZQO-QZTJIDSGSA-N 301.584 6.156 30 10 DKEE Cc1cc(Nc2ccc(Cl)c(Br)c2)ccc1C#N 133478304 CJYMUEFAODFVIJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H]1Cc2ccccc2S1 143405837 ICBIUQLEJASHFF-MJGOQNOKSA-N 305.531 5.562 30 10 DKEE N#CC1(Cc2c(Cl)cccc2[N+](=O)[O-])CCCCCCC1 156744629 DUZSXYUDTPGOBY-UHFFFAOYSA-N 306.793 5.045 30 10 DKEE CCCCCCCCCC[S@](=O)c1cc(N)ccc1Cl 166358325 JHWLKXCLWLGLBM-HXUWFJFHSA-N 315.910 5.171 30 10 DKEE C=CCCCCC[C@H](NCC)c1cccc(Cl)c1Cl 233545733 YICIIPVVJMJAIY-HNNXBMFYSA-N 300.273 5.781 30 10 DKEE CCc1cccc(CC)c1N=Cc1ccccc1Br 252629734 UMMSSXVORGCFIQ-UHFFFAOYSA-N 316.242 5.325 30 10 DKEE CCCC1CCC(C#N)(Cc2coc(Br)c2)CC1 378920449 OVGXLKFXPOXOMR-UHFFFAOYSA-N 310.235 5.085 30 10 DKEE CCCCCCCNc1cc(C)c(Br)cc1F 383381350 BJMFWSSWUIVFLG-UHFFFAOYSA-N 302.231 5.279 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Br)c(F)c1F 689667479 GJKSWRAOZYPKAT-LBPRGKRZSA-N 321.205 5.121 30 10 DKEE Clc1ccc(N=Cc2cccn2-c2ccc(Cl)cc2)cc1 1084471196 LBLHKETWGGNEFT-UHFFFAOYSA-N 315.203 5.535 30 10 DKEE CCCCCCC[C@H](C)Nc1csnc1Br 1925113866 NFAVAOILRWSRQK-JTQLQIEISA-N 305.285 5.067 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)C[C@@H](CS)C(C)(C)C 1931998307 JEJUVLDXZUJDGA-WMZOPIPTSA-N 307.547 5.125 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(CC#N)cc1)C(C)(C)C 1946839758 RADDTNOZKHASEO-GOSISDBHSA-N 320.480 5.189 30 10 DKEE C=CCN(Cc1ccccc1)C[C@H]1CCCC[C@H]1C(F)(F)F 1962674996 KRLKHEVEDGRBPV-IAGOWNOFSA-N 311.391 5.043 30 10 DKEE CCCCCCCCC[C@H](O)[C@H]1CCN(Cc2ccccc2)C1 1988153977 AQUMPQFCZFPSSC-SFTDATJTSA-N 317.517 5.010 30 10 DKEE C=C([C@H](NCCC)c1scc(Cl)c1Cl)C(C)(C)C 2035420360 RCHRKRVDZCRZHP-LBPRGKRZSA-N 306.302 5.698 30 10 DKEE CCCCCCCCOCc1cc(F)ccc1Br 2085403832 NLQQPSGHFOTNTO-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE Cc1cccc(CC2(C#N)CCC(C)(C)CC2)c1Br 2087884009 AOXXVNWDXQVNMA-UHFFFAOYSA-N 320.274 5.410 30 10 DKEE C#CCCCCCOc1ccc2ccc(Br)cc2c1 2142510753 UPGAQKDSWOHVKL-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE CC1(C)CCC(C=O)(Cc2cscc2C(F)(F)F)CC1 2157199333 CAEHBAKDYKMDGE-UHFFFAOYSA-N 304.377 5.095 30 10 DKEE C=C([C@H](Cc1cc(Cl)cc(Cl)c1)NCCC)C(C)(C)C 2203973613 HLQTUMDCFAWOJN-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C=CCCCCCCN(C)Cc1ccsc1C(F)(F)F 2206893657 BZCLZVMWGOJTJM-UHFFFAOYSA-N 305.409 5.335 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H](O)c1ccsc1Cl 2207380856 CSSIEEXGMOWANF-HNNXBMFYSA-N 314.878 5.311 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1scc(Br)c1C 2213776367 ZMDRFGBRGHMUFM-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE C=CCCCCCCC[C@@H](N)c1sccc1Br 2214622954 LXOBGJWSUFDRMQ-CYBMUJFWSA-N 316.308 5.427 30 10 DKEE C=C(Cl)C[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2218640155 MKXMEHZCGQJPML-CYBMUJFWSA-N 306.664 5.047 30 10 DKEE C=CCCCCCCCNCc1ccc(Br)cc1 2220095165 ZBSBMNWBEOTRQV-UHFFFAOYSA-N 310.279 5.065 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Cl)cc(F)c1Cl 2231188360 GWABHMZXDYXRLW-AWEZNQCLSA-N 304.236 5.530 30 10 DKEE C=C(C)C[C@@H](NCCC)c1sc(Cl)cc1Br 2244968858 JVHFMSCJHBEATN-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=CCC[C@H](C)c1c(F)c(F)c(Br)c(F)c1F 2248030274 LIKWBYGAVNGSNS-LURJTMIESA-N 311.116 5.075 30 10 DKEE C=C(C)CCCC[C@H](Cc1cccc(Br)c1)NCC 2271792183 SDUZIYZILVYUIB-QGZVFWFLSA-N 324.306 5.106 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286472516 HTOBDAAOVQWOGW-KRWDZBQOSA-N 314.300 6.089 30 10 DKEE C=CCCCCCCC[C@@H](OCCN)c1sccc1Cl 2293581833 SIDZKEJMXZJULR-OAHLLOKOSA-N 315.910 5.335 30 10 DKEE O=C1C(=Cc2ccc3c(c2)Cc2ccccc2-3)CCc2ccccc21 2313534817 DKLGOSUIBJFJIT-UHFFFAOYSA-N 322.407 5.470 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2353120271 TZHNYXMHEDZLQE-INIZCTEOSA-N 302.289 5.836 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(SC(F)F)cc1 59419326 IXQFCEDSPMSSGK-CYBMUJFWSA-N 301.446 6.162 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2ccc(Cl)cc2Cl)cc1C 61681909 OYPXTWHRLGXPHC-OAHLLOKOSA-N 318.203 5.100 30 10 DKEE CC(C)c1nc2ccc(Cl)cn2c1/N=N\c1cccc(C#N)c1 71592017 RZHWHVCVVCZIQV-DQRAZIAOSA-N 323.787 5.398 30 10 DKEE CCCCCCCCCCO[C@H]1CCN(C)c2ccccc21 103007224 APOXCBJMFYVCQK-FQEVSTJZSA-N 303.490 5.725 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1C(F)(F)F 110156096 YQVUMBHXWRGQDN-ZWNOBZJWSA-N 316.754 5.243 30 10 DKEE CCCCCCCC[C@@H](CO)c1ccccc1Br 118663914 HPECUFZBIHCMFO-AWEZNQCLSA-N 313.279 5.276 30 10 DKEE CCCCCCCCCCN[C@@H](C)c1ccc(SC)cc1 129255445 NXELXKUMAJJPEN-KRWDZBQOSA-N 307.547 6.200 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccncc1Cl 135567776 DKHUAPWGJXHQQE-SFHVURJKSA-N 311.897 6.079 30 10 DKEE C=CCSc1ccccc1NCc1cc(Cl)ccc1F 160770725 QRVJJAKJLHMKDQ-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1ccc(CC)s1 161137835 ONWBCAAJXAFASO-QGZVFWFLSA-N 309.563 6.101 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(C(C)(C)C)s2)C1 166300978 SKSQOUXTPRONSY-MZMPZRCHSA-N 305.487 5.189 30 10 DKEE N#Cc1ccc(Nc2ccc3ccccc3c2)c(Br)c1 213228044 JFNYSOLGJJEHGD-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE N#Cc1ccc(Nc2cccc3ccccc23)c(Br)c1 213392322 WAWKYEABKDMGFB-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE C=CCCCCCNc1c(Cl)cc(F)cc1Br 232167136 LUTZCPOXONUSFM-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE CCCCCCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 257625850 VRJDFGAFIXHCFZ-UHFFFAOYSA-N 318.339 5.386 30 10 DKEE CCCCCCCCC[C@H](O)Cc1coc(Br)c1 378902226 FGMBLFVYNCOPSR-AWEZNQCLSA-N 317.267 5.086 30 10 DKEE CC[C@@](C#N)(C(C)C)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698470656 QLRQQOHIOAUHJO-LJQANCHMSA-N 316.445 5.065 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(C)c1Br 715774621 PRIQDZQTEQRFRH-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1F)c1ccc(C)c(C)c1 821218472 SKVDTOFKZPGEMF-DYTRJAOYSA-N 319.807 5.427 30 10 DKEE CC/C(=N\OCc1ccccc1)c1ccc(-c2ccccc2)cc1 821220214 ZHYLICZOIDSWRF-GHVJWSGMSA-N 315.416 5.685 30 10 DKEE CCCCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 1920044975 BYAVMVRMBFMPFX-ZDUSSCGKSA-N 323.691 6.431 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](NCC)c1ccc(Cl)s1 1921133445 QCXSNCNEPVJBDS-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)CC2CC2)c2ccccc12 1946840232 FCJFZUMUCRYHPP-UHFFFAOYSA-N 312.416 5.128 30 10 DKEE C=CCC[C@H](NCCC)c1c(C)sc(C)c1Br 1948481087 SKSMAOXBAFZIFH-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCC[C@H]1C(F)(F)F 1962675636 UURAJHZOBNMGKA-DLBZAZTESA-N 311.391 5.043 30 10 DKEE C=CCCCC[C@H](N)c1cccc(C)c1NC(=O)OC(C)(C)C 1984509648 CFLGEDJZYPSTLS-INIZCTEOSA-N 318.461 5.088 30 10 DKEE C=CCN(Cc1ccccc1)CC1(c2ccccc2)CCCC1 1990846367 PQBCKPGWGOSYEG-UHFFFAOYSA-N 305.465 5.187 30 10 DKEE C=CCCCCCC[C@@H](N)c1scc(C)c1Br 2026001133 DBOHHTFUBMWMOA-GFCCVEGCSA-N 316.308 5.345 30 10 DKEE C=CCCCCCC[C@H](NC)c1cccc(Br)c1 2050516111 UGUGYINYDBYKSH-INIZCTEOSA-N 310.279 5.236 30 10 DKEE CC[C@H](c1ccc(C)cc1C)n1nc(-c2ccccc2)cc1C#N 2070131775 QJECVLKOOPPBAX-OAQYLSRUSA-N 315.420 5.038 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1ccc(Cl)cc1Cl)NCC 2102110939 JPDLNJKGZXTOTR-WBMJQRKESA-N 300.273 5.116 30 10 DKEE C=CCCCC[C@@H](NCCC)c1c(C)cccc1Br 2123088536 KGRORHIDKRFNBM-MRXNPFEDSA-N 324.306 5.545 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1csc(Cl)c1 2154482691 ADDHEZSBGJRHAE-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1c(Cl)cccc1Cl 2164481131 BDQDAQGGPANAOZ-JKSUJKDBSA-N 314.256 5.311 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCC)c1ccc(-c2cccs2)s1 2205875892 BMXXBBFPCFGZKM-ZIAGYGMSSA-N 303.496 5.177 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1ccsc1Cl 2207441183 XQKKMHKGQBZPHK-INIZCTEOSA-N 313.938 6.359 30 10 DKEE C#C[C@@H](CC(C)C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2226321690 IGEXGABMJNIRNC-QWRGUYRKSA-N 318.675 5.345 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cc(C)c(Cl)s1 2227288546 PSBKRTUJTDOFMB-ZDUSSCGKSA-N 300.899 5.131 30 10 DKEE C=CCCCCCC[C@@H](N)Cc1cccc(Cl)c1Cl 2227501205 MGCWQONCACRPJN-CQSZACIVSA-N 300.273 5.390 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Cl)c(F)cc1OC 2234398144 QYXORFYPXYFLAJ-INIZCTEOSA-N 301.833 5.022 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235753517 KXGMBDFDEQRLCL-ZYHUDNBSSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCO[C@H](c1ccc(Cl)s1)[C@H](C)N 2239487643 SAENHKDTQUXBIY-BBRMVZONSA-N 317.926 5.557 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1ccc(Cl)c(F)c1 2240622431 SWOLXJINRPFJMY-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE CCCC(CS)(CCC)CSc1cc(F)cc(F)c1 2266691453 HVVYJOWVOTVMRV-UHFFFAOYSA-N 304.471 5.573 30 10 DKEE CCc1ccc(C#N)c(Nc2cc(Cl)c(Cl)cc2C)c1 2281516311 UOBCOOOMYAMXQQ-UHFFFAOYSA-N 305.208 5.480 30 10 DKEE CCCCCCCCC[C@@H](NC)c1csc(Cl)c1OC 2284288293 MGSHRNRRPGWHDX-CQSZACIVSA-N 317.926 5.811 30 10 DKEE CCCCCCC[C@H](O)C(=O)c1cc(Cl)c(Cl)cc1C 2284809286 HWZJFYXLXJCJQJ-HNNXBMFYSA-N 317.256 5.206 30 10 DKEE CCCN[C@@H](C#CC1CCCCC1)c1ccc(SC)s1 2289695641 JKXLBKJMRYCNQD-HNNXBMFYSA-N 307.528 5.094 30 10 DKEE CCCCC[C@@H](CC)OCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2301962677 VPFZNWWUIKZWGS-MRXNPFEDSA-N 324.314 5.330 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Br)cc1CC 2321128929 XQVZWCYMBUGVMH-JKSUJKDBSA-N 310.279 5.004 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)c([N+](=O)[O-])cc1Cl 2335182316 DFLAPEKYRTVEMD-UHFFFAOYSA-N 318.225 5.515 30 10 DKEE C=CC[C@@H]1CCCCN1Cc1cc(F)c(Cl)cc1Cl 2349792342 FATVDHOPTVJITJ-GFCCVEGCSA-N 302.220 5.063 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2370521272 IEQCEUPKCOSMCX-NHYWBVRUSA-N 316.272 5.255 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 2370522873 UGFZUEONOCNRRF-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE N#Cc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1 36886518 ULIRDYOFZCYNNJ-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(Br)cc1 59284925 BJQQKTMTLXMPLQ-MRXNPFEDSA-N 312.295 5.460 30 10 DKEE C=CCc1cc(-c2ccccc2)cc(C=O)c1OCCCCCC 66117718 IDCOXTTXFQXTND-UHFFFAOYSA-N 322.448 5.854 30 10 DKEE COc1c(C(=O)/C=C/c2cccs2)cc(C)cc1C(C)(C)C 83193993 HJSVWIDYQDFOIT-CMDGGOBGSA-N 314.450 5.259 30 10 DKEE CCCCCCCOc1cccc(CN[C@H]2CCC[C@H](C)C2)c1 100131296 ODCSDBDWAHZRAM-ICSRJNTNSA-N 317.517 5.704 30 10 DKEE CCCCCCCCC[C@@H](O)c1cccc(C(F)(F)F)c1 112885081 UUUFQTDWOUJPNY-MRXNPFEDSA-N 302.380 5.880 30 10 DKEE CCCCCCCCC(=O)c1cccc(OC(F)(F)F)c1 165459097 KSVOQXCYBZTIFW-UHFFFAOYSA-N 302.336 5.519 30 10 DKEE CCCCCCCC[C@H](O)c1c(F)cccc1Br 169165311 SWZWQMZAAFDPFB-AWEZNQCLSA-N 317.242 5.372 30 10 DKEE CCCCCCCCC1CCC(O)(c2ccc(F)c(F)c2)CC1 207398995 OSOZCEJDQDERKG-UHFFFAOYSA-N 324.455 6.093 30 10 DKEE C[C@H]1CCc2c(sc(N=C/C=C/c3ccccc3)c2C#N)C1 254395917 FGQLBGBXYBWIOX-ZUCKIIKYSA-N 306.434 5.160 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(Br)cc1 692211592 JTFQJDHTOFCOHH-YSVLISHTSA-N 322.290 5.235 30 10 DKEE C=C1C[C@H]2CC(Nc3c(C)cc(Cl)nc3Cl)C[C@@H](C1)C2 697334442 SZMMPKKVBKFCGY-FUNVUKJBSA-N 311.256 5.244 30 10 DKEE CCCCCCCCN[C@H]1C[C@H](OCc2ccccc2)C1(C)C 718095360 ZHMNWJHIIYRCJO-PMACEKPBSA-N 317.517 5.320 30 10 DKEE CCCCCCCC[C@H](CCCOCc1ccccc1)NC 719128442 NHPRBKQBUGBICR-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cc(Cl)ccc2Cl)CC1 724550930 ZOUXPRSMQCWJCK-KRWDZBQOSA-N 312.284 5.781 30 10 DKEE O=C1/C(=C/c2ccc(Cl)cc2)CSc2cc(Cl)ccc21 1614719680 JZJWNCZQKSLQLJ-YRNVUSSQSA-N 321.228 5.365 30 10 DKEE CCCCCCCCCOc1cccnc1NC(=O)CCCC 1858750271 SXIMJEFFKPXWBR-UHFFFAOYSA-N 320.477 5.340 30 10 DKEE C=CCCC(C)(C)NCc1cccc(SC(F)(F)F)c1 1912892558 FFBISRVLWGCMDB-UHFFFAOYSA-N 303.393 5.133 30 10 DKEE CCCCCCC[C@](N)(CC)c1ccc(Br)cc1 1920439735 DHKKJCUYJAVNNS-MRXNPFEDSA-N 312.295 5.374 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@](C)(C#N)C1CCC(C)(C)CC1 1975999029 SZLVLEHBNYCWIH-LJQANCHMSA-N 322.493 5.132 30 10 DKEE CCCCC[C@@](C#N)(CC)Nc1ccccc1Br 2073340815 HWPJEJMTYPABDM-OAHLLOKOSA-N 309.251 5.114 30 10 DKEE C=CCCCCC[C@](O)(CC)c1cccc(Br)c1 2075705667 IJWXSONWUPTXRS-MRXNPFEDSA-N 311.263 5.183 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(C)cc1Br 2102109686 ASJCDPQZFYGAGT-PBHICJAKSA-N 324.306 5.401 30 10 DKEE CCCC(CS)(CCC)CN1CCCC[C@@H]1C(C)(F)F 2160122746 MCSCAXDQUNFTOR-CQSZACIVSA-N 307.494 5.013 30 10 DKEE CN(CCCCCCCCCS)C[C@@H]1CCC(F)(F)C1 2163778826 GUCREJQAUHJBRR-OAHLLOKOSA-N 307.494 5.014 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc(C(F)F)cs1 2177440266 NBTQDZKILOSJLR-AWEZNQCLSA-N 304.402 5.039 30 10 DKEE CCCCCCCCCN(CC(F)(F)F)CC(F)(F)F 2195534450 ATKXRWOIFKVUAR-UHFFFAOYSA-N 307.322 5.164 30 10 DKEE C#CC[C@@H](CN[C@@H](CC)c1ccc(Cl)c(Cl)c1)C1CC1 2196811970 RCFLAIOVUVUVPJ-YOEHRIQHSA-N 310.268 5.084 30 10 DKEE C=C1CC(CNCC(C)C)(Cc2cc(Cl)cc(Cl)c2)C1 2197897991 KQIZHNQGOAHIJO-UHFFFAOYSA-N 312.284 5.118 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2cc3sccc3s2)CC1 2205530404 RZUWFSAIVXSTJA-YWCUFVOSSA-N 305.468 5.106 30 10 DKEE C=C1C[C@H]2CC(NCc3cc4sccc4s3)C[C@@H](C1)C2 2205544595 XABHIPCWSFUSEB-PBWFPOADSA-N 303.496 5.187 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 2206890120 FBSAOIKDBXTBIN-MRXNPFEDSA-N 319.247 5.867 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1cc(C)c(Cl)s1 2207430129 QVBCJWNGJCWRJL-HNNXBMFYSA-N 314.922 6.440 30 10 DKEE CCCCCCCCCCCCOCCC#CBr 2223235348 RZLYDWUWQRZEOV-UHFFFAOYSA-N 317.311 5.670 30 10 DKEE CC[C@](C)(CCCC(C)C)OCC1(CS)CCCCC1 2234439095 WCIPJHMNYSKITM-QGZVFWFLSA-N 300.552 5.878 30 10 DKEE CCCCCCC[S@](=N)(=O)CCCCCCCC1CC1 2239349428 MCOXBZIMSFQGNC-FQEVSTJZSA-N 301.540 5.754 30 10 DKEE O=C(C=C1CCCCC1)c1sc(Cl)cc1Br 2244970928 HEZNFYMRUODJPK-UHFFFAOYSA-N 319.651 5.237 30 10 DKEE CCCCCCCCOc1cccc(Br)c1Cl 2248245472 ITLSLSZQKOHVQE-UHFFFAOYSA-N 319.670 5.842 30 10 DKEE CC(C)(C)C#CC=CCNc1c(Cl)cc(F)cc1Cl 2268824668 PVWOMYHLDWSMMV-UHFFFAOYSA-N 300.204 5.150 30 10 DKEE CCCc1ccc(Oc2c(Br)cccc2C#N)cc1 2269726431 MLEGFWLJSLANCO-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2271753472 MZKGBYOQYXYOSZ-CYBMUJFWSA-N 320.691 6.044 30 10 DKEE C=CCC[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2273126398 XHTKBLIZXFEAKC-MRXNPFEDSA-N 324.306 5.363 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)c(Cl)cc1C)C(C)(C)C 2286472944 JPYDMUQGZKPTHF-MRXNPFEDSA-N 314.300 5.945 30 10 DKEE CCCN[C@@H](C#CC1CCCCC1)c1scc(C)c1Cl 2289788643 QVOUVYOKAMGJHW-HNNXBMFYSA-N 309.906 5.334 30 10 DKEE C=CCCCCCOc1c(Cl)cc(CNCC)cc1Cl 2296261903 OJBFCPWSMAQYAU-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE Cc1ccc(C=C2C[C@@H](c3ccccc3)c3ccccc3C2=O)cc1 2296887411 NIRIKABXXZPISN-QHCPKHFHSA-N 324.423 5.797 30 10 DKEE CC1CCC(CSc2cc(Br)ccc2C#N)CC1 2313835671 HPVKTDFXMHIBTK-UHFFFAOYSA-N 324.287 5.239 30 10 DKEE C=C([C@@H](NCC)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2340799280 RZZRRNMQXPUYHK-CQSZACIVSA-N 304.236 5.385 30 10 DKEE O=C(C=C1CCCCC1)CCCc1cc(Cl)cc(Cl)c1 2366838986 YBMXDJYGYYNNBW-UHFFFAOYSA-N 311.252 5.776 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(F)c(Cl)cc1Cl 2377386004 HTWJDHXDYKVSCX-ZBEGNZNMSA-N 316.247 5.357 30 10 DKEE CC1(C(Cl)(Cl)Cl)C=CC(=Nc2ccccc2)C=C1 41262 ZWRWTUBWVNIMJC-UHFFFAOYSA-N 300.616 5.262 30 10 DKEE O=C1/C(=C/c2cccs2)[C@H](c2ccccc2)Oc2ccccc21 7141357 SOZDMJDHJAWHMK-QUHSPFQSSA-N 318.397 5.148 30 10 DKEE Cc1ccc(-c2ccc(/C=C\C(=O)c3ccc(Cl)cc3)o2)cc1 33921929 SMALKNFXDRQARR-BENRWUELSA-N 322.791 5.805 30 10 DKEE CC[C@@H](Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 37203152 NIJDDLLUSKJSNL-MRXNPFEDSA-N 305.208 5.428 30 10 DKEE CCCCCCCCC[C@@]1(C)CC(=O)c2ccc(O)cc2O1 43990048 QXSOXXCVPXJEIJ-IBGZPJMESA-N 304.430 5.257 30 10 DKEE Clc1cccc(/C=N/c2ccc3ccccc3c2)c1Cl 59457235 CGPXOCAXLRCQFR-RGVLZGJSSA-N 300.188 5.897 30 10 DKEE CCCC(CS)(CCC)CSc1ccc(C(C)(C)C)cc1 94588871 OUQYSAKZWNFUJI-UHFFFAOYSA-N 324.599 6.593 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCCc2sccc21 109900716 KREPBEOZWVHPCP-AWEZNQCLSA-N 301.480 5.516 30 10 DKEE CCCCCCC[C@@](C)(Nc1ccccc1Cl)C(=O)OC 110318930 MKYHEECSTWFYDF-QGZVFWFLSA-N 311.853 5.044 30 10 DKEE CCCCCCC[C@@H](Nc1ccccc1Cl)C(=O)OCC 110319043 FANHJNPILFGWIB-MRXNPFEDSA-N 311.853 5.044 30 10 DKEE CCCCCCC[C@H](O)c1cc(Br)sc1C 114634773 LYKOJQXFBRCTJE-LBPRGKRZSA-N 305.281 5.213 30 10 DKEE CC(C)(C)[C@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)CC1 127813377 ZYYPBEDQZQSHSS-LSDHHAIUSA-N 304.865 5.619 30 10 DKEE N#Cc1cc(F)c(Sc2ccc(Cl)c(Cl)c2)c(F)c1 134041234 IMQLSMXCMUFFKP-UHFFFAOYSA-N 316.159 5.294 30 10 DKEE CCCCCCCCCCNc1cccnc1Br 232925986 ZPKUZXNJCPBNBQ-UHFFFAOYSA-N 313.283 5.397 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(Cl)cc1Br 236537786 OOQZKSLXVRRJTR-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1ccc(Cl)cc1Cl 322580187 COQZAYGPKFWRPV-VIFPVBQESA-N 309.327 5.678 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1csc(Cl)c1 378999313 XLONTRJASUADQG-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE C=CCC(C)(C)CN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 383366893 HDUUZQIYUZEPDN-CQSZACIVSA-N 314.256 5.009 30 10 DKEE C=CCCCCN[C@H](C)c1cc2cc(Br)ccc2o1 388853191 AJKNMLIIFATGFQ-GFCCVEGCSA-N 322.246 5.202 30 10 DKEE N#C[C@@H](CSc1cc(Cl)cc(Cl)c1)C1CCCCC1 397125093 LOMALINCPKNWQM-LBPRGKRZSA-N 314.281 5.806 30 10 DKEE CCC[C@H](C)C(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405933848 UVARPEBJZBTPNN-ZVHGMHCTSA-N 317.429 5.052 30 10 DKEE CCCCCCCCOc1cccc(F)c1Br 694740129 WBTUULGUYCLPQP-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)cc(Br)c1 715772834 KFEGHKWJRGGCEN-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE CCCCCCCC(=O)Cc1ccc(Br)c(F)c1 721920517 GFIONKYJQXTTHZ-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE Clc1cc(Cl)cc(C#Cc2cc(Cl)cc(Cl)c2)c1 1614731145 OYJLPKYQTYJTET-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(F)c(C)c1 1857937710 DYGLQBPPRAIGTA-PXLXIMEGSA-N 313.416 5.372 30 10 DKEE C=CCCSc1nc(-c2ccc(Cl)c(Cl)c2)cs1 1860801994 MFESYXBDMHXSRB-UHFFFAOYSA-N 316.278 5.785 30 10 DKEE C=C1CC(CNC(C)(C)C)(Cc2cc(Cl)sc2Cl)C1 1883097049 ILRLBQPKIQNPIQ-UHFFFAOYSA-N 318.313 5.322 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(OCc2ccccc2)c1 1903138423 ZEHWETCUZURPQT-LEWJYISDSA-N 309.453 5.258 30 10 DKEE C=CC[C@](C)(CC)[C@@H](CCCOCc1ccccc1)NCCC 1903148987 HVANCMCXTCAZGR-RTWAWAEBSA-N 317.517 5.344 30 10 DKEE C=CC1(C[C@H](NC)c2ccc(OCc3ccccc3)cc2)CCC1 2002639863 VJJKSDLKEPEEJY-NRFANRHFSA-N 321.464 5.273 30 10 DKEE C=C[C@@H](N[C@@H](C)c1ccc(OCc2ccccc2)cc1)C1CCC1 2020962333 VHCPLYCMOARZBV-HTAPYJJXSA-N 321.464 5.271 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Br)cc1 2040529197 IOOCGROMIOTGDY-BBRMVZONSA-N 310.279 5.092 30 10 DKEE C=C(C)CCC[C@@H](NCCC)c1cccc(Br)c1 2050512402 FGSCDYKPFBMPCO-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C/N=C1\CC[C@@H](c2cccc(Cl)c2Cl)c2ccccc21 2080528011 DWRSHTXEMAZHOE-SPYINAPQSA-N 304.220 5.338 30 10 DKEE C#C[C@@H](N[C@H](C)c1cc(Cl)sc1Cl)C1CCCCC1 2138972831 CSZHHYMFKZHZFP-ZWNOBZJWSA-N 316.297 5.288 30 10 DKEE C=CC1(COc2ccc3ccc(Br)cc3c2)CCC1 2142518201 XDTUKFOYRCKZSQ-UHFFFAOYSA-N 317.226 5.337 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H](O)c1cc(C)c(Cl)s1 2165433932 CTFJMUJFKGUMGB-DZGCQCFKSA-N 317.926 5.211 30 10 DKEE C#CC(C)(C)C[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2167605544 ACYKUVIVXOVYBD-CQSZACIVSA-N 303.858 5.118 30 10 DKEE CC[C@H](CCC(C)C)N(C)CCCCCCCCCS 2186016148 MZTXVTUSLRTHIN-GOSISDBHSA-N 301.584 5.794 30 10 DKEE O=C[C@@]1(Cc2cc(Cl)cc(Cl)c2)CCCCC12CCC2 2197966580 NLEFHFHKHLJZGY-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1ncc(SC)s1 2207403948 LIUSJRZDLYKOOS-AWEZNQCLSA-N 312.548 5.562 30 10 DKEE CCCCCCCC[C@@H](O)C(=O)c1c(Cl)cccc1Cl 2207444769 MGDDEGDNNKZEJT-CQSZACIVSA-N 317.256 5.288 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Br)cs1 2214612518 DAVJNHBEDLNQQG-ZDUSSCGKSA-N 316.308 5.427 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)cc(Cl)c1Cl 2227305641 PTXIOPIUEVWSJE-CQSZACIVSA-N 322.707 6.268 30 10 DKEE C=CCCCCCCCC(=O)c1c(F)ccc(F)c1Cl 2235526444 KXRPMNBZZPENHC-UHFFFAOYSA-N 300.776 5.718 30 10 DKEE C=CC[C@H](C)Oc1c(Cl)cc(Cl)cc1CN[C@@H](C)CC 2240227788 JSSHQQZAALFJIN-RYUDHWBXSA-N 316.272 5.225 30 10 DKEE CCCCCCCC[C@H](OCC(=O)O)c1cscc1Cl 2290613342 FGRZDESQLHFERW-AWEZNQCLSA-N 318.866 5.294 30 10 DKEE C=CCCCC[C@H](OCCCN)c1cc(Cl)cc(Cl)c1 2293267908 DMUMDYMVCHBSDM-INIZCTEOSA-N 316.272 5.146 30 10 DKEE Cc1c(Cl)cccc1-c1ccc(C=CC(=O)c2ccccc2)o1 2296515234 KZGNEWSGNBNWIO-UHFFFAOYSA-N 322.791 5.805 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(Br)cc1C 2321114890 ZRDWXJJPEKLMMW-CVEARBPZSA-N 310.279 5.010 30 10 DKEE C=CC[C@H](C)SC[C@H](NCC)c1ccc(Cl)cc1Cl 2335103193 IICKYYJEWZSPIR-NHYWBVRUSA-N 318.313 5.342 30 10 DKEE CCCCCCCCCNCc1cc(Cl)c(O)c(Cl)c1 2365595731 NEKYQOXHZREARG-UHFFFAOYSA-N 318.288 5.539 30 10 DKEE C=CCCCCCC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2366401422 NEGXSAITKMJAHI-HNNXBMFYSA-N 318.263 5.920 30 10 DKEE CCC#CC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366812433 FPXZMLJKPWMBCC-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE CCN(CC)c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1 5311782 YDLSUTBSBDUAQS-UDWIEESQSA-N 321.251 5.590 30 10 DKEE Cc1ccc2cc(/C=C\C(=O)c3cccs3)c(Cl)nc2c1 33248865 PSYPLRBBSDXLSS-SREVYHEPSA-N 313.809 5.154 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 37937292 CLXCKZBMPHYFCH-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCC[C@@H](C(C)C)CC1 86943995 ZTIVFGHHBXDAAC-SJORKVTESA-N 303.515 5.982 30 10 DKEE CCCCCCCCCCOc1nncc(-c2ccccc2)n1 95864240 MSSAMFMVEGCWRR-UHFFFAOYSA-N 313.445 5.058 30 10 DKEE CCCCCCC/C=C(/Sc1ccccc1)SC(C)C 102990177 FSZJPRAGIZJWGS-OBGWFSINSA-N 308.556 7.122 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2ccc(Cl)c(Cl)c2)cc1 104267461 DJPGQDUGSZXJNU-HJWRWDBZSA-N 306.192 5.110 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1cccc(Cl)c1C#N 110262474 SPAMGXLPAWDYFR-UHFFFAOYSA-N 320.219 6.089 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccc(Cl)cc1)NCC 112891184 AZIJUOLLPWBNIY-IBGZPJMESA-N 309.925 6.001 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1sccc1Cl 127987974 HYYANSAMIJTSOD-INIZCTEOSA-N 315.954 6.583 30 10 DKEE CC1(C)CCC[C@H](Nc2ccc(Br)cc2C#N)CC1 132172495 MZSKSZNRKFMBGA-AWEZNQCLSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCC(=O)c1c(Cl)cccc1Cl 165081992 GMSINFSQDXLKMX-UHFFFAOYSA-N 315.284 6.707 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)c(F)c1 215040722 DNQKHGLDIJEYQB-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCC(=O)CC(=O)c1cccc(Cl)c1Cl 232920779 NUVMJCNKXPRYPP-UHFFFAOYSA-N 315.240 5.496 30 10 DKEE CCCCCCCC[C@H](NC)[C@@H]1CCCC[C@H]1C(F)(F)F 252988479 XWVXQXVVVYGGBN-OAGGEKHMSA-N 307.444 5.694 30 10 DKEE Cc1ccc(N=Cc2ccccc2OCc2ccccc2)cc1C 254444216 XKJBMPGWEJBHJA-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1cccc(Cl)c1Cl 312237171 NVQZUXSNHWVFFG-OAHLLOKOSA-N 312.284 5.474 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccccc1NC(=O)OC(C)(C)C 406367814 PYMKMAJVOGNHIV-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE O=C(/C=C\c1ccccc1)c1cc(Cl)cc(Cl)c1Cl 642882744 FGZWCQSLTHFZAD-SREVYHEPSA-N 311.595 5.543 30 10 DKEE C[C@@](C#N)(CC1CCCCC1)Nc1ccccc1Br 689710871 IJVKIUUURGVISB-INIZCTEOSA-N 321.262 5.114 30 10 DKEE C=C1CCC(CC(=O)c2ccc(OCc3ccccc3)cc2)CC1 724595669 VEBHVKHKBFMCPG-UHFFFAOYSA-N 320.432 5.585 30 10 DKEE CCc1sc2cccc(SC(F)(F)F)c2c1CC#N 725303729 VBYZACCFOXPRGW-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE N#CCc1sc2cc(C(F)(F)F)ccc2c1C(F)(F)F 725324519 MGGMBWLQUFQWCF-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE O=[N+]([O-])c1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)o1 1084615374 ACYYZPVMBBQOFW-UHFFFAOYSA-N 320.308 5.354 30 10 DKEE N#Cc1ncc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl 1848358928 MLTYLJBTPBHOIN-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE C=CCC(CC=C)[C@H](O)c1ccccc1OCc1ccccc1 1901005698 QJARNRFBZFOKIW-NRFANRHFSA-N 308.421 5.067 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](NCC)c1ccsc1Cl 1921139528 KKDVLWQXZIMVPM-GOEBONIOSA-N 317.926 5.164 30 10 DKEE C=C([C@H](NCCC)c1scc(Cl)c1Cl)[Si](C)(C)C 1923048489 WQHHNGJDRUFNNJ-LBPRGKRZSA-N 322.377 5.529 30 10 DKEE C#C[C@@H](C)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1951830545 RMRCUCKCYQOQDF-SECBINFHSA-N 314.212 5.077 30 10 DKEE C=C(C)CC[C@@H](NCC)c1c(Cl)cccc1Br 2000327096 OVMCEFUDWGKPJA-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE COc1ccc(C=N[C@@H](c2ccc(C)cc2)c2cccs2)cc1 2040481200 KYDQUONPKBCENH-FQEVSTJZSA-N 321.445 5.274 30 10 DKEE C=CCCCCCCC(=O)c1cc(F)ccc1Br 2085849538 LUYJQMWKXRBDAH-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE C=C(C)CC[C@H](C)Nc1nccc2c(Br)cccc12 2096541732 FQTVYDBNEUHBCP-LBPRGKRZSA-N 319.246 5.154 30 10 DKEE CCCCCCC[C@@](C)(O)C(=O)c1cc(Cl)sc1C 2098159552 QPJPNMGQDRSBOY-OAHLLOKOSA-N 302.867 5.004 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1C 2142433182 DXEDJZWRVLRZNT-GDBMZVCRSA-N 300.533 5.099 30 10 DKEE CCCCCCCCCC[C@H](N)c1sc(OC)nc1Cl 2164044109 YTYYGDRAFVMZOT-LBPRGKRZSA-N 318.914 5.336 30 10 DKEE CCCC[C@](C)(C#N)[C@](C)(O)c1cc(Cl)cc(Cl)c1F 2164474386 CGZJGKRWABEFSL-HUUCEWRRSA-N 318.219 5.060 30 10 DKEE CCCCCCCC[C@H](NC)[C@@H](O)c1cc(C)c(Cl)s1 2165432818 RNIOWYWTAXIHTN-DZGCQCFKSA-N 317.926 5.082 30 10 DKEE C=CCCCCCCCCCOc1cc(Cl)ccc1Cl 2207440054 VHTSXEHOHYNJEN-UHFFFAOYSA-N 315.284 6.679 30 10 DKEE C=CCCCCCCNc1c(C)cc(F)cc1Br 2223586845 RCBQCKQOHRGVLJ-UHFFFAOYSA-N 314.242 5.445 30 10 DKEE CCCCCCCCCCCOc1nc(F)ncc1Cl 2239559959 WECZLYPRXLZQLE-UHFFFAOYSA-N 302.821 5.179 30 10 DKEE CCCCCCCC[C@H](O)CCCC(F)(F)C(F)(F)F 2240405284 NXGSTPGDPRBLGP-LBPRGKRZSA-N 304.343 5.466 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1sc(Cl)cc1Br 2244969578 VEEYKACEVZGZJZ-KCJUWKMLSA-N 322.699 5.027 30 10 DKEE C=CCCCCCCCSCc1cc(Br)no1 2250058299 AUHDIRSWTSRTKH-UHFFFAOYSA-N 318.280 5.197 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Cl)cc(Br)c1 2250171454 FOQRPTKULHNHPY-CQSZACIVSA-N 316.670 5.239 30 10 DKEE C=C(C)CCCCC(=O)c1cc(C)cc(Br)c1F 2259181831 ZTQQQRLZIMRDCE-UHFFFAOYSA-N 313.210 5.216 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(C)c(Br)c1 2263748643 CXDXZIADRJFQHH-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE CO[C@H](CSCC1(CS)CCCCC1)C1CCCCC1 2284033872 VFEVHSQAJNFAMK-MRXNPFEDSA-N 316.576 5.195 30 10 DKEE CCCCCCCCC[C@@H](OCCN)c1cc(Cl)cs1 2293879224 PABCFFNEYMGCKY-OAHLLOKOSA-N 317.926 5.559 30 10 DKEE CC(C)C[C@@H](CS)CSCC1(C(F)(F)F)CCC1 2328530551 SPWGMUAWRKKHDX-NSHDSACASA-N 300.455 5.044 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2344337284 PHQPKWHGUUYXMU-MEBBXXQBSA-N 320.691 5.900 30 10 DKEE C#CC[C@H](C)C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414550 KCCLEBOQMZLLES-BLLLJJGKSA-N 312.284 5.392 30 10 DKEE C=CCC[C@@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807664 LKJQJQWPDRVJSG-CXAGYDPISA-N 314.300 5.506 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1ccc(Cl)c(Cl)c1OC 2370523574 YTQZAUUFEFKXJD-HNNXBMFYSA-N 316.272 5.255 30 10 DKEE CCCCCCCOc1ccc(C(=O)c2ccc(C)cc2)cc1 2026391 FQYVTKHVGLWIIU-UHFFFAOYSA-N 310.437 5.575 30 10 DKEE Cc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3)C2=O)cc1 5125617 QOKNXIAPRMGJDX-JIBZRZDWSA-N 322.835 5.868 30 10 DKEE O=C(/C=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 33926432 XELXGDKUCZGDRR-LUAWRHEFSA-N 308.764 5.496 30 10 DKEE Cc1ccc(N/N=C/c2ccc(Cl)cc2Cl)cc1Cl 59146996 ZUVLTJSTBOJTAY-QGMBQPNBSA-N 313.615 5.401 30 10 DKEE COc1c(C)cc(Cl)c(C)c1C(=O)/C=C/c1ccc(C)cc1 83193653 CFRDHZPODZZJQL-MDZDMXLPSA-N 314.812 5.170 30 10 DKEE CC1=C(CCc2ccoc2)[C@]2(C)CCCC(C)(C)C2=C(O)C1=O 85694248 OOJGVMFNPNJNFV-FQEVSTJZSA-N 314.425 5.140 30 10 DKEE CC(C)C1CCC(C#N)(Cc2nc(C(C)(C)C)cs2)CC1 94981749 XRMOFVDOHPJWOV-UHFFFAOYSA-N 304.503 5.339 30 10 DKEE CCCCCCCCSc1cc(C)cc(C(C)(C)C)c1O 100000915 JTFQXPALBDRKTQ-UHFFFAOYSA-N 308.531 6.451 30 10 DKEE CCCCCCCCCCCCNCc1cccc(Cl)c1 105806389 ORIWEBBMGFYKIT-UHFFFAOYSA-N 309.925 6.351 30 10 DKEE CCCCCCCCC[C@@H](Cc1cccc(Cl)c1)NCC 112890497 DSDZWJCIUHQUKX-IBGZPJMESA-N 309.925 6.001 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 125806897 JXSQWDDPPFUDTI-HNNXBMFYSA-N 303.343 5.242 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H]1CSc2ccccc21 139672889 KDOOEDKTAMEUNJ-ROUUACIJSA-N 305.531 5.605 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1cc(C)c(C)s1 162298875 BACRUSCXTWEFJG-SFHVURJKSA-N 309.563 6.546 30 10 DKEE Cc1ccc(Sc2ccc(C(F)(F)F)c(C#N)c2)c(C)c1 164511564 COUZCNCCVXILPC-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CCCCCCCc1onc(N)c1-c1cccc(Cl)c1F 212798883 XGLYOKFMTNVBKT-UHFFFAOYSA-N 310.800 5.229 30 10 DKEE Cc1cccc(C#N)c1Oc1cc(Cl)c(Cl)cc1Cl 221134348 WEDHZBQVZLAFSP-UHFFFAOYSA-N 312.583 5.619 30 10 DKEE N#Cc1ccc(Nc2ccc3ccccc3c2)cc1Br 228184019 CINIYYYJCUXEQO-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE Cc1ccc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)cc1C 252435361 JLSVFLACVCLHHH-LZLYRXPVSA-N 301.499 5.750 30 10 DKEE C=CCC(C)(C)CN[C@H](CC)c1ccc(Cl)cc1Cl 311922932 SRDOCFPTWGEUOF-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE CCCCCCC[C@@H](C)NCC[C@@H](C)N(C)Cc1ccccc1 379629756 OZBARFCASZUXQK-WOJBJXKFSA-N 318.549 5.236 30 10 DKEE CC(C)(C#N)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 687772731 HNJLIKDIVZXOKW-UHFFFAOYSA-N 317.430 5.755 30 10 DKEE CC[C@@H]1CCCCC[C@H]1Nc1ccc(Br)c(C#N)c1 691102373 ORMREVIXCJVDPD-MLGOLLRUSA-N 321.262 5.092 30 10 DKEE CC(C)[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C(C)C 698401170 SLZXXOLZDQECLU-LPHOPBHVSA-N 322.493 5.131 30 10 DKEE N#Cc1cccc(Cl)c1-c1ccc(Cl)c(Cl)c1Cl 1848372844 KONXQLZHGKTKLT-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE N#Cc1cc(Cl)cc(-c2cc(Cl)cc(Cl)c2Cl)c1 1848374843 QEKTUAUOVRMNPH-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC(C)(C)C1CCC(=NOCC(=O)c2ccc(Cl)cc2)CC1 1860465190 OSUCZIBCIGIRGD-UHFFFAOYSA-N 321.848 5.132 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)Cc2ccco2)C1 1915085952 BLHNGIWPHBRLIG-YFVAEKQCSA-N 322.452 5.000 30 10 DKEE C=C([C@@H](NCC)c1cc(Br)sc1C)C(C)(C)C 1947457536 WAJGMGUMIMZSNR-CYBMUJFWSA-N 316.308 5.072 30 10 DKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCC1 1961027709 BBRMUHRSBFQQBC-UHFFFAOYSA-N 308.466 5.030 30 10 DKEE CC(C)=C(C)C(=O)[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1989660821 GRLMXYNANUSIJS-AWEZNQCLSA-N 317.429 5.063 30 10 DKEE CCCCCCCCCN(C)[C@H]1CC[C@@H]1OCc1ccccc1 1990780132 YKUKAHICLSLJTI-SFTDATJTSA-N 317.517 5.417 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 1996470713 OIICUZJROQVMJU-PGRDOPGGSA-N 323.480 5.519 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1ccc(Cl)cc1Cl 2108214457 VWCVCPVVOYSHFA-CABCVRRESA-N 300.229 5.137 30 10 DKEE C[C@@H](c1ccc(Br)cc1)C1(C#N)CCC2(CC2)CC1 2120101850 NNDWNSSXQQTZNA-ZDUSSCGKSA-N 318.258 5.417 30 10 DKEE CCCCC#CCNc1ccc2ccccc2c1Br 2138954502 MJTKQTVYJVGVJP-UHFFFAOYSA-N 316.242 5.208 30 10 DKEE N#C[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCC2(CCCC2)C1 2155222760 JZWLGRKOTUCUOH-KBPBESRZSA-N 308.252 5.961 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H]1CC[C@@H](SCC)C1 2171100331 UECXHLVGAPMLND-HZPDHXFCSA-N 317.608 5.109 30 10 DKEE SCC1(CN2CCCC[C@@H]2c2cccs2)CCCCC1 2171828885 RILMNBJUHKTOOM-OAHLLOKOSA-N 309.544 5.155 30 10 DKEE C#CC[C@@H](C)C[C@H](O)c1ccc(-c2ccccc2Cl)s1 2196719191 LMZBGAIRFPSPHS-DOMZBBRYSA-N 304.842 5.151 30 10 DKEE CCCCCC#CCC(=O)c1cc(-c2cccs2)cs1 2203882968 ZPSIDDZVJTZYTF-UHFFFAOYSA-N 302.464 5.633 30 10 DKEE N#C[C@H](c1cc(Cl)cc(Cl)c1)[C@H]1CCC2(CCCC2)C1 2203962906 UFJULIPISNZHPE-LRDDRELGSA-N 308.252 5.961 30 10 DKEE C#C[C@H](CC(C)C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2226334729 IGEXGABMJNIRNC-GHMZBOCLSA-N 318.675 5.345 30 10 DKEE N#C[C@H](C(=O)C1CCCCCC1)c1cccc(Cl)c1Cl 2235757642 MPSFDNLANWFYCA-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE CSc1ccc(OCCCCCCCCCS)cc1C 2236027248 AWMKFZMEMKEGRF-UHFFFAOYSA-N 312.544 5.756 30 10 DKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)c1ccc(Cl)s1 2239568043 INEBMKLFYBKUEY-CQSZACIVSA-N 324.276 5.147 30 10 DKEE CCCCCCCC[C@](C)(O)C(=O)c1cc(Cl)sc1C 2240636749 AMVOQXAEKDRMQN-INIZCTEOSA-N 316.894 5.394 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1scc(Cl)c1Cl 2273966620 QDNQRRZBLKWFDS-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE CCCCCCCCCCCC(=O)c1cc(Cl)cs1 2274581976 HHFMXHTUQLTKBI-UHFFFAOYSA-N 300.895 6.505 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1C 2279048660 XHSARKDIAOYEDO-KRWDZBQOSA-N 316.316 6.442 30 10 DKEE CCCN[C@H](C#Cc1ccccc1Cl)c1cscc1Cl 2295206829 LLNSCANKOYXSRP-MRXNPFEDSA-N 324.276 5.147 30 10 DKEE CCC(=O)C=Cc1ccc(OCc2cccc3ccccc23)cc1 2296515219 JKSVGHJAHVEOBA-UHFFFAOYSA-N 316.400 5.411 30 10 DKEE Cc1c(Cl)cccc1N=CC=C(O)c1ccc(Cl)cc1 2297322106 HNJPXGALYYYBAQ-UHFFFAOYSA-N 306.192 5.603 30 10 DKEE Cc1ccc(NN=Cc2ccccc2OCC(C)C)cc1Cl 2322969519 JEEAVDIIOXZAAK-UHFFFAOYSA-N 316.832 5.129 30 10 DKEE Cc1c(C[C@](C)(C=O)c2ccccc2)ccc(Cl)c1Cl 2364265820 PJSXEAANQRBLRK-QGZVFWFLSA-N 307.220 5.001 30 10 DKEE Clc1ccc(/N=C2\NC[C@H](c3ccccc3)S2)cc1Cl 35082552 WVDUMTZFKGNTSC-CQSZACIVSA-N 323.248 5.059 30 10 DKEE CC[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)c(Cl)c1 37301845 PCUJMEJWMKYMGU-QGZVFWFLSA-N 319.235 5.623 30 10 DKEE C=CCSc1ccccc1NCc1c(F)cccc1Cl 109900979 JWYBNZMYJHDJGL-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(Cl)sc1Cl 115062834 AHVNCEAYPOGHPW-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1sccc1Cl 126596345 ODUJNJGYWFIZTH-OAHLLOKOSA-N 301.927 6.322 30 10 DKEE CCSc1cccc(N(CC(C)C)C(CC)CC)c1C#N 136681272 PBEMKWUXUAOPTI-UHFFFAOYSA-N 304.503 5.321 30 10 DKEE CCCCCCC[C@H](NCC)[C@@H]1CCCC[C@@H]1C(F)(F)F 139585157 LJJKPYOFSVHOTA-PMPSAXMXSA-N 307.444 5.694 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H]1CCCc2sccc21 143423827 YZQHVQGRARJEMM-FUHWJXTLSA-N 307.547 6.026 30 10 DKEE N#Cc1sc(-c2sccc2Cl)c(-c2ccccc2)c1N 159127349 LSNBJJFXDTVFAK-UHFFFAOYSA-N 316.838 5.251 30 10 DKEE SC[C@H](CSCc1ccc(Cl)cc1)c1ccccc1 166586932 AIJFOZBEYWKCTK-OAHLLOKOSA-N 308.899 5.287 30 10 DKEE C=C[C@@H](C)NC(c1ccccc1)(c1ccccc1)c1ccccc1 166676503 CECQIOLGVLJTEN-LJQANCHMSA-N 313.444 5.143 30 10 DKEE CCOc1ccc2ccccc2c1C=Nc1ccc(CC)cc1 254524486 RRSDPYSWFPYJNW-UHFFFAOYSA-N 303.405 5.552 30 10 DKEE CCOc1ccc(N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1 255995758 PXHUEJKVEQLIQW-ZFQGXMPGSA-N 320.436 5.099 30 10 DKEE C=CC(C)(C)CN[C@H](C)c1cc2cc(Br)ccc2o1 384877652 SRFQWEPKZFLQPH-LLVKDONJSA-N 322.246 5.058 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccsc2Br)C1 389061166 JNEPHIJXKYZADC-RISCZKNCSA-N 312.276 5.163 30 10 DKEE CC[C@@H]1CCCCC[C@]1(C#N)Nc1cccc(Br)c1 691076352 MCDAXTDWYOUMQH-CZUORRHYSA-N 321.262 5.114 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2ccc(Br)cc2)CC1 724549897 RQZOEVKWUVNMIC-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE CC(C)c1ccnc(Nc2cc(Cl)ccc2Cl)c1C#N 1859844778 SHROALLDSQUAME-UHFFFAOYSA-N 306.196 5.127 30 10 DKEE CC(C)C[C@H](CS)CN(Cc1ccccc1)CC(C)(C)C 1893839230 JUKHFSWGHBDCSQ-SFHVURJKSA-N 307.547 5.127 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)sc1Br 1951019417 OLIWGBZMHRUDPT-MFKMUULPSA-N 316.308 5.072 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cccc(OCc3ccccc3)c2)CC1 2010759741 FODDPOFOQCEQBU-QGZVFWFLSA-N 320.432 5.585 30 10 DKEE N#Cc1cc(F)ccc1CN(Cc1ccccc1)C1CCCCC1 2019246101 JIJSQFMXTGCURF-UHFFFAOYSA-N 322.427 5.032 30 10 DKEE CCCc1ccc([C@H](C)n2nc(C3CCCCC3)cc2C#N)cc1 2070086579 GLFQJQINYDTASB-INIZCTEOSA-N 321.468 5.364 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCCCC23CC3)cc1Br 2117003065 CXXGHYJVEQPZND-QGZVFWFLSA-N 318.258 5.164 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](NC)c1cc(Cl)sc1C 2154430913 CNOIZOQAASGKQH-JKSUJKDBSA-N 317.926 5.082 30 10 DKEE C=CC1(C[C@H](O)c2c(Cl)cccc2C(F)(F)F)CCC1 2168030602 IGFDTKAOYUOAFQ-LBPRGKRZSA-N 304.739 5.139 30 10 DKEE CC#CCCCC[C@H](NCC)c1cscc1C(F)(F)F 2196169582 HOXMWNSTXFRYKJ-AWEZNQCLSA-N 303.393 5.001 30 10 DKEE C#C[C@@H](N[C@H](C)c1c(Cl)cccc1Cl)C1CCCCC1 2203799960 DUUDOUAFAPHHHQ-MLGOLLRUSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCC[S@@](=N)(=O)c1cccc(Cl)c1 2207378374 SJMLHZBAWIJUBG-HXUWFJFHSA-N 313.894 5.662 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(F)c(C)c1Cl 2235586891 DYTQLHXOOOVXBU-INIZCTEOSA-N 300.845 5.962 30 10 DKEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235756833 MJIYEYSJVOBNFU-AAEUAGOBSA-N 312.240 5.386 30 10 DKEE C[C@@H](Nc1ccc(F)cc1C#N)c1cc(Cl)cc(Cl)c1 2237997425 MVIWYMJGJQVJTD-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=C(CC)C[C@@H](O)c1c(Cl)cc(Br)cc1Cl 2243538479 LUUHTHPCASHMEW-LLVKDONJSA-N 324.045 5.146 30 10 DKEE C=C(C)CCCC[C@](O)(CC)c1ccc(Br)cc1 2259190134 JKDXQLZGKHMLTM-MRXNPFEDSA-N 311.263 5.183 30 10 DKEE N#Cc1cccc(F)c1Nc1cc(Cl)c(Cl)cc1Cl 2265772989 FNNMRBKUABHUND-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCCCSCC(=O)c1cc(C)sc1C 2287095859 DTLCYGXZHWKVER-UHFFFAOYSA-N 310.528 5.807 30 10 DKEE C=C(C)CCCC[C@H](CSc1ccc(Cl)cc1)NCC 2287468643 XHTFBKKAOPURPV-MRXNPFEDSA-N 311.922 5.547 30 10 DKEE CC1(C)CC(CS)(COc2cccc(Cl)c2Cl)C1 2321722005 DDKHLEUJLFXQSK-UHFFFAOYSA-N 305.270 5.108 30 10 DKEE C=CCCC[C@H](CCCc1cc(Cl)cc(Cl)c1)NC 2341152351 MYYCEOISKOZDPM-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE N#Cc1ccc(Br)cc1OCC1CCCCCCC1 2342890273 ARGLRKQECLATRS-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(Cl)cc1Cl 2344373674 BWKIBVYRWJOJJI-HZPDHXFCSA-N 300.273 5.636 30 10 DKEE CC1(C)CCC[C@@]1(C#N)Cc1cc(F)c(Cl)cc1Cl 2349796345 JKIDGGFBFWFICK-HNNXBMFYSA-N 300.204 5.395 30 10 DKEE C=CCCC[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCC 2349878618 SQJFBMQXBUYCAM-LBPRGKRZSA-N 304.236 5.009 30 10 DKEE CCCCCCCC[C@@H](N)c1c(Cl)cc(C)cc1Cl 2352812473 IRUBDWCRTNDRQD-OAHLLOKOSA-N 302.289 6.052 30 10 DKEE C#CCCCCCCCOc1nc(Cl)c(Cl)cc1Cl 2353042429 PLRXQZXRDAPOCA-UHFFFAOYSA-N 320.647 5.394 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2362236424 CFWCMMGTYKSQRH-JOYOIKCWSA-N 315.200 5.058 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1ccc(SC(F)(F)F)cc1 2364091543 FVDNQTSQEHEGPJ-CQSZACIVSA-N 302.361 5.100 30 10 DKEE CCCCCCCC(=O)CCCc1cc(Cl)cc(Cl)c1 2366897006 AFGLDHYZMJUAAY-UHFFFAOYSA-N 315.284 6.246 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426785 JIAUDNAHEVBEBI-KCQAQPDRSA-N 322.905 5.572 30 10 DKEE COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c2ccccc12 83204468 FYUXXEJMCVCKNQ-ACCUITESSA-N 302.373 5.053 30 10 DKEE CC1(C)CCC[C@H](Nc2ccc(C#N)cc2Br)CC1 86901799 UVBPNZQAZNSVOY-ZDUSSCGKSA-N 321.262 5.092 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cccc(Cl)c2Cl)C1 91881556 MEXCOXDSIKXSND-LYRGGWFBSA-N 312.240 5.137 30 10 DKEE CCCCCCCOc1ccccc1[C@@H](C)NCCCCCC 100048148 PYVJSQNXHKKWGW-LJQANCHMSA-N 319.533 6.267 30 10 DKEE CCCCCCC[C@@H](N)c1cc(F)c(Br)cc1F 112337887 YUEWVEYMWMNFSN-CQSZACIVSA-N 320.221 5.088 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(OC)c(Cl)c1 115856211 SOTQTJSFPXPWSU-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE Cc1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1C 254339438 BKIMZIUQLSWFMX-UHFFFAOYSA-N 309.412 6.360 30 10 DKEE COc1ccc(N=Cc2sc3ccccc3c2Cl)cc1 254442061 GGFKRAYKEKGKHD-UHFFFAOYSA-N 301.798 5.314 30 10 DKEE Fc1cccc(C(N=Nc2ccccc2)=NNc2ccccc2)c1 254877998 RAVOYIWJSWNCBW-UHFFFAOYSA-N 318.355 5.383 30 10 DKEE CCC1CCC(C#N)([C@H](C)c2ccc(Br)cc2)CC1 311374885 KNERMYASDCOJEQ-TUBUQKNSSA-N 320.274 5.663 30 10 DKEE CCCCCCCC[C@H](NCCC)c1csc(Cl)c1 381088549 YETGGQWIORAGFJ-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 709120168 XBSVZVBYSCHZHL-QWRGUYRKSA-N 312.240 5.242 30 10 DKEE C=C(C(=O)c1cccc(C)c1NC(=O)OC(C)(C)C)C(C)(C)C 1925641503 AJIRQCPSISWZGR-UHFFFAOYSA-N 317.429 5.127 30 10 DKEE C=C(COCc1ccccc1)[C@@](C)(O)C1CCC(CCC)CC1 1980220264 UVLXTHKPJPAYKB-DQVLVPHSSA-N 316.485 5.117 30 10 DKEE CCCCCCCCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 1990760402 JNWFGUSJDWGYHI-FQEVSTJZSA-N 317.517 5.417 30 10 DKEE C=CCCCCCCCCC[C@@](C)(O)COCc1ccccc1 1995325329 JGOSFJYWCFZJDZ-OAQYLSRUSA-N 318.501 5.651 30 10 DKEE C=CCCCCCCNCc1scc(C)c1Br 2026025422 XDCWFZGWNWZJCT-UHFFFAOYSA-N 316.308 5.045 30 10 DKEE CCCCCCCCCOc1ccc(Br)c(N)c1 2029754561 WAFVAOBUIDGHJF-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE CN(C)c1ccc(C=C2CCCC(=Cc3cccs3)C2=O)cc1 2039106328 WISBRVIBVPLGKK-UHFFFAOYSA-N 323.461 5.034 30 10 DKEE Clc1ccccc1CN=Cc1cc2ccccc2nc1Cl 2040470056 ZFQCRCNGLYUTKS-UHFFFAOYSA-N 315.203 5.161 30 10 DKEE C=C(Br)CCn1c2ccccc2c2ccccc21 2044980247 RVGMPKKTDBUTOV-UHFFFAOYSA-N 300.199 5.093 30 10 DKEE C=C1CCC(CN[C@@H](C)c2ccc(C)c(Br)c2)CC1 2105802725 WAXKIRLLGTWTQY-AWEZNQCLSA-N 322.290 5.155 30 10 DKEE C=CC1(C[C@H](NCC)c2ccc(Br)c(C)c2)CCC1 2111712413 WWFSEGQMTNOQRW-INIZCTEOSA-N 322.290 5.155 30 10 DKEE C=CCCCC[C@@H](Cc1ccc(Br)cc1)NCCC 2123080054 JSHXPQOLRKLEHJ-KRWDZBQOSA-N 324.306 5.106 30 10 DKEE C=CCCCCCCCC[C@H](O)c1snc(Cl)c1Cl 2142434857 LRPCABAVDUIKCG-NSHDSACASA-N 322.301 5.790 30 10 DKEE C=CCSc1ccccc1N[C@H](C)C[C@@H](C)C(F)(F)F 2177937964 XDHSKCCAXOURIM-VXGBXAGGSA-N 303.393 5.354 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1scc(Br)c1C 2210641605 XQZYFJGIOAOQIO-LLVKDONJSA-N 322.699 5.002 30 10 DKEE CCC1(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)CCCC1 2234053772 MPAMYDQVWKMWKF-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@H](NC)c1ccsc1Cl 2240666333 LVQAAHWAMDYENX-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SC2CC(C(F)F)C2)C1 2241016431 YSZKRBABMMTIQB-YMTMWGKZSA-N 301.446 5.118 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Cl)cc1Br 2304119717 MNPQLWWHDHYKEG-KGLIPLIRSA-N 317.654 5.128 30 10 DKEE C=C1C[C@@H]1[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2319251913 IRJQGYRKFRYPRF-IINYFYTJSA-N 304.648 5.264 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1ccc(Br)cc1C 2321105738 RYBJOYGESVPGCV-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE Clc1ccc(CON=C(c2ccc(Cl)cc2)C2CC2)cc1 2330309987 HPTJAOSYMXQMKN-UHFFFAOYSA-N 320.219 5.324 30 10 DKEE COc1c(Cl)cc(C[C@@]2(C#N)CCC[C@H](C)C2)cc1Cl 2365499350 UQKYVOLJEYIRCH-MEDUHNTESA-N 312.240 5.265 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1cccc(Cl)c1C(F)(F)F 2370501746 QISDSMRAKICKKG-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@@H]21 20707905 GQFQZGAVFMUVDX-RZUBCFFCSA-N 322.411 5.538 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl 35047974 YHHIISDXOCYZOX-VIFPVBQESA-N 309.171 5.177 30 10 DKEE N#Cc1cnc2ccccc2c1Oc1cccc(Cl)c1Cl 36913439 GEXRTAOVYMVXAJ-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CC[C@@H](Nc1cc(C#N)cc(F)c1C)c1cccc(Cl)c1 37089315 XHTOSWKKMABBRX-MRXNPFEDSA-N 302.780 5.222 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2nc(C)cs2)C1 37155766 JSQXCXFHKVOSTF-MELADBBJSA-N 308.516 5.288 30 10 DKEE Cc1ccc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c(C)c1 37344074 WZEAZBQCGXJEFB-CYBMUJFWSA-N 318.203 5.100 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 37346185 UBQHSPRKMQPJFO-BXUZGUMPSA-N 312.240 5.386 30 10 DKEE CC1(C)CCC(C#N)(Cc2cccc(Br)c2)CC1 87940167 FVYGPUOEBUXSSY-UHFFFAOYSA-N 306.247 5.102 30 10 DKEE Cc1ccc(N/N=C(/N=N/c2ccccc2)c2ccccc2)cc1 107006581 FTNMMFPAUKWAQX-LNLSYTKCSA-N 314.392 5.553 30 10 DKEE CCCCCCCCC[C@H](CNC)Cc1ccc(Cl)cc1 110464964 QBNILZHEMZAZJR-SFHVURJKSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCCCC[C@H](CSCCC)NCC 115644515 HRVMDFKAUABNFB-LJQANCHMSA-N 315.611 6.419 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(Cl)ccc1Cl 162322489 NUICPNAHUSLGMX-KRWDZBQOSA-N 316.316 6.524 30 10 DKEE CCOc1ccc(/C=N/c2ccc(CCC[C@@H](C)CC)cc2)cc1 205816876 FQGVYYNRVYYUKL-LWJGVMBGSA-N 323.480 6.205 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(Br)cc1C 229755654 BEPDOZGMMVCMFP-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1c(Cl)cc(Cl)cc1Cl 695809562 BGOSSRYINFKGAK-QMMMGPOBSA-N 305.636 5.387 30 10 DKEE CC(C)(C)c1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 725434704 JUAFVBNSBKLHNG-UHFFFAOYSA-N 302.339 5.403 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1c(Cl)cccc1Cl 821989390 XQZDRJMXZREOOJ-WOSRLPQWSA-N 312.284 5.779 30 10 DKEE CC(=Nc1ccco1)c1cccc(N=Cc2ccc(Cl)cc2)c1 1088679824 MBYATXJZHRPPHD-UHFFFAOYSA-N 322.795 5.824 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1scc(Cl)c1Cl)C1CC1 1887488304 GZNMESARFDCRBF-WCQYABFASA-N 316.297 5.145 30 10 DKEE CCCCCCCCC[C@@](C)(C(=O)O)N(C)Cc1ccccc1 1904141677 VWVXQZVWZWRWKL-FQEVSTJZSA-N 319.489 5.102 30 10 DKEE C=C([C@@H](NCC)c1ccc(Cl)c(Cl)c1)[Si](C)(C)C 1922967229 CZTSHNFFNNGJRV-CQSZACIVSA-N 302.321 5.078 30 10 DKEE C=CCC[C@@H](C)n1ccc2c(OCc3ccccc3)cccc21 1975926799 PVGMIKSROOQSQR-QGZVFWFLSA-N 305.421 5.748 30 10 DKEE C=CC1(C[C@@H](O)c2ccccc2OCc2ccccc2)CCC1 1980021185 AECZXOWZZSZBOW-LJQANCHMSA-N 308.421 5.045 30 10 DKEE CC[C@H]1CC=C(C(=O)c2sc(Br)cc2C)CC1 2010785526 YKXYVZFAMFPMDK-JTQLQIEISA-N 313.260 5.138 30 10 DKEE C=CCCCCCC[C@H](N)c1ccccc1OCc1ccccc1 2026016786 HUFTYNNCNQURJC-NRFANRHFSA-N 323.480 5.792 30 10 DKEE C=CCCCCCCNc1cc(F)cc(Br)c1 2026019746 QDSPPOURPFGSOD-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE CCN(CC)c1ccc(C=C2CCC(=C3CCCC3)C2=O)cc1 2042453549 PNBMMYGHIVXVDO-UHFFFAOYSA-N 309.453 5.150 30 10 DKEE O=C(C1=CCCCCCC1)c1c(Cl)ccc(Cl)c1Cl 2107728880 TWRCSYRPUVBIEG-UHFFFAOYSA-N 317.643 6.110 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1cc(Cl)ccc1Cl 2108212666 DIBCVVYIDGQBRL-HUUCEWRRSA-N 300.229 5.137 30 10 DKEE C=CC1(CNc2ccc3cc(Br)ccc3c2)CCC1 2111708781 PYMPVQWKQLBOBZ-UHFFFAOYSA-N 316.242 5.371 30 10 DKEE C=CCCCCCCCC[C@H](N)c1scc(Cl)c1Cl 2142452606 JKZBFJYNMHZOSG-ZDUSSCGKSA-N 320.329 6.362 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1SCC[C@@H]1C 2150856021 IVMJAABCKFCLSE-BZSNNMDCSA-N 300.552 5.800 30 10 DKEE C=C([C@H](NCCC)c1cscc1C(F)(F)F)C(C)(C)C 2152945262 WYHUOAJWQWQPEQ-ZDUSSCGKSA-N 305.409 5.410 30 10 DKEE CCCCCCCCCC[C@]1(O)CC[C@H](P(C)(C)=O)C1 2160808138 VRCAYRJVTNCXFJ-IRXDYDNUSA-N 302.439 5.424 30 10 DKEE C=C(C)C[C@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2164105275 QNKZAIHTRGGTSS-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cnc(Cl)c(Cl)c2)CC1 2181666965 CQWWFVPOHNWFSQ-GFCCVEGCSA-N 312.240 5.344 30 10 DKEE CC#CCCCC[C@H](NCC)c1csc(C(F)(F)F)c1 2196174679 QBQMTRINHPDJNT-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(Cl)c(OC)c1F 2203418074 PUPDIHJWFPSYIO-AWEZNQCLSA-N 301.833 5.238 30 10 DKEE C#C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C1CCCCC1 2203799164 VSOWFNKCAZZSLV-SJCJKPOMSA-N 310.268 5.226 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](N)c1c(Cl)cccc1Cl 2207449159 MKMPKCVMUSEORQ-GDBMZVCRSA-N 318.288 5.105 30 10 DKEE C=C[C@H](CCCCC)OCc1ccsc1Br 2212484261 XABOKVQRYGWATM-GFCCVEGCSA-N 303.265 5.162 30 10 DKEE C=CCCCCCCCCOc1c(N)ccc(Cl)c1Cl 2234034160 HQDNZVAJZQUFOA-UHFFFAOYSA-N 316.272 5.871 30 10 DKEE C=CCCCSc1cc(Cl)sc1CN[C@@H](C)CC 2259975716 LYJJWFXXDMZHCR-NSHDSACASA-N 303.924 5.348 30 10 DKEE N[C@H](C#CC1CCCCC1)c1cc(-c2cccs2)cs1 2289618524 BVUKGTZSMHBQNS-OAHLLOKOSA-N 301.480 5.060 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCC2(C(F)(F)F)CCC2)C1 2290348354 RDWUMPCBDGNCKT-AGIUHOORSA-N 305.409 5.171 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(C(F)(F)F)s1 2294993399 DKJGUVXWVUHHJP-GFCCVEGCSA-N 305.409 5.683 30 10 DKEE CCCC[C@](C)(C#N)Cc1cc(Cl)c(OC)c(Cl)c1 2339973473 QWYZRHQOHVDQOR-HNNXBMFYSA-N 300.229 5.265 30 10 DKEE C=C(Cl)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341122063 PYXNXXKGRVIRDO-OAHLLOKOSA-N 320.691 5.437 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(Br)cc(C(C)C)c1 2344342513 KMLVQFIXDZKFHE-DLBZAZTESA-N 324.306 5.565 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cccc(Br)c1C 2344394325 BPXKPEUJBWNEPD-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE Cc1c([C@@H](C#N)Nc2cccc(F)c2)ccc(Cl)c1Cl 2366090181 QJAYLHHESKBWIM-CQSZACIVSA-N 309.171 5.118 30 10 DKEE N#C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCCOCC1 2366911394 YCIKTTNOEOBAGC-INIZCTEOSA-N 312.240 5.027 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1cscc1C(F)F 2370481892 IDVKYWLCOPAXBM-ZBFHGGJFSA-N 301.446 5.719 30 10 DKEE COc1ccc(C(=O)/C=C\c2ccc(-c3ccc(C)cc3)o2)cc1 33921931 AQEZFETZMCNCII-QBFSEMIESA-N 318.372 5.160 30 10 DKEE CCCSc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 83192720 YIWZLALOLQBNBA-LFYBBSHMSA-N 300.398 5.224 30 10 DKEE CCCCCCCOc1ccc(NCCc2ccccc2)cc1 100033554 TWCRSADYOXIRHZ-UHFFFAOYSA-N 311.469 5.690 30 10 DKEE CCCCCCCCCCCC[C@@H](CSC)NCCC 109742793 LQOBYSOYDBXPHV-SFHVURJKSA-N 301.584 6.029 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1cc(Cl)ccc1Cl 109945378 QSQUWXSQGWWUAM-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCNc1cc(C)c(Cl)cc1OC 110154554 IXGVJDKFDJVMHZ-UHFFFAOYSA-N 311.897 6.210 30 10 DKEE N#C[C@@H]1CCCC[C@@H]1Nc1c(Cl)cc(Cl)cc1Cl 110161756 PFWZCPWENOAZPL-UFBFGSQYSA-N 303.620 5.141 30 10 DKEE Cc1c(Cl)cccc1-c1ccc(/C=C/C(=O)c2ccccc2)o1 113854555 KZGNEWSGNBNWIO-ZRDIBKRKSA-N 322.791 5.805 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H](OCC)C(C)C 122976098 OEIAFJRQNCXUMH-RBUKOAKNSA-N 300.527 5.719 30 10 DKEE COc1cc(C#N)ccc1N[C@H](C)c1cc(Cl)ccc1Cl 129883457 RXSMHQMVQGCOEV-SNVBAGLBSA-N 321.207 5.047 30 10 DKEE CCCCCCCCC[C@H](N)c1csc(Br)c1 139470752 QCUVIUWLFPAHHD-ZDUSSCGKSA-N 318.324 5.651 30 10 DKEE Cc1cc(Oc2cc(Cl)ccc2C#N)ccc1Br 157076319 PHUCPMOEPLDYFI-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCC[C@H](NCC)c1c(F)cccc1Cl 157824523 QDGIWGQTGBTVJP-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE CCCCCCCCC[C@H](N)c1cccc(Cl)c1Cl 157961340 AUTFDLFYIIGFSI-HNNXBMFYSA-N 302.289 6.134 30 10 DKEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCCCCCCCCCS)C2 217866501 NHYLPNIJYLJKGA-LNLFQRSKSA-N 312.563 5.878 30 10 DKEE CC1(C)CCC[C@@H](Nc2cc(Br)ccc2C#N)CC1 232786890 NFQBFYFHCLHCJC-CQSZACIVSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1CS[C@H](C)[C@@H](C)S1 300178016 YCSOVRILMWFTNO-NCOADZHNSA-N 317.608 5.341 30 10 DKEE C[C@@](O)(c1c(Cl)cccc1Cl)C1(C#N)CCCCCC1 400844083 DAXTWAAXFFFHQP-OAHLLOKOSA-N 312.240 5.065 30 10 DKEE C#CCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NCC 686700455 AEUJQIQVASJBER-AWEZNQCLSA-N 312.284 5.098 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 715749190 MIUCBPZVUSTPNA-PXAZEXFGSA-N 324.306 5.319 30 10 DKEE CC/C(=N\OCc1ccccc1Cl)c1ccc2c(c1)CCC2 821224698 WHCUSFRQARTFJS-XUTLUUPISA-N 313.828 5.160 30 10 DKEE C=CCCCCC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 1886358699 HKPGEUHZKXKUKD-OAHLLOKOSA-N 305.220 5.477 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(Br)s1 1920164259 QTIDTHOEMHFBAF-ZDUSSCGKSA-N 304.297 5.045 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@H]1CC12CCC(F)(F)CC2 1986889537 KEHFDSMBAYMSJT-GOSISDBHSA-N 319.439 5.280 30 10 DKEE C=CCCCCCN(C)[C@@H](C)c1cscc1Br 2013633471 CZFSIHNQWMIPSE-LBPRGKRZSA-N 316.308 5.250 30 10 DKEE C#CC(C)(C)C[C@H](NCCC)c1cc(Cl)sc1Cl 2048686396 HKPPXXGVMXXORX-NSHDSACASA-N 304.286 5.145 30 10 DKEE CCC#CC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2053771104 TXCHEMQFNXYEKE-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE C=CCCCCCC[C@@H](N)c1cccc(F)c1Br 2085851179 DIQLMMGMSIIJRS-CQSZACIVSA-N 314.242 5.115 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cccc(Br)c2C)C1 2087419678 UHJHAQFQFZVPGC-YOEHRIQHSA-N 320.274 5.410 30 10 DKEE C=CCCCC[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2179679161 PPIHIUVPRHYPRO-HNNXBMFYSA-N 305.874 5.815 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cnc(Cl)c(Cl)c2)CC1 2181666966 CQWWFVPOHNWFSQ-LBPRGKRZSA-N 312.240 5.344 30 10 DKEE CN(CCCCCCCCCS)CC(C)(C)CC(F)F 2190264184 RRWJIFBVGPNERY-UHFFFAOYSA-N 309.510 5.260 30 10 DKEE CCCCCCCN(C)[C@@H](c1ccc(Cl)s1)[C@@H](N)CC 2196730464 WSBUGVRVUIRACL-XJKSGUPXSA-N 316.942 5.082 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1ccc(SC)s1 2207438651 QNWQWXQTCGKBJO-OAHLLOKOSA-N 311.560 6.167 30 10 DKEE C=CCCCCCCCC(=O)c1scc(Cl)c1Cl 2220098016 RNPHZLYBNZTCHI-UHFFFAOYSA-N 305.270 6.154 30 10 DKEE C=CCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 2227278520 AAZVDUIBQPBHSC-LZWOXQAQSA-N 300.533 5.098 30 10 DKEE CCC(CC)(CC)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234036770 QHEVSCGWCFZQJP-CYBMUJFWSA-N 312.240 5.386 30 10 DKEE C=CC1(C[C@H](O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1 2236309061 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CCCCCCC[C@H](C)NCCc1cc(Cl)cc(Cl)c1 2366934126 OYRFMOXNFKBNDS-AWEZNQCLSA-N 316.316 5.875 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1c(Cl)cccc1Cl)NCC 2370482266 LCBVDVYUQZXRLL-SJORKVTESA-N 314.300 5.506 30 10 DKEE Clc1cccc(Cl)c1/N=C1/NC2(CCCCC2)CS1 88172161 VGFVWLBMPHRVRL-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE COc1cccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c1 96766397 LUJBCJPEFFVHRM-GDNBJRDFSA-N 314.384 5.258 30 10 DKEE CSc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 100034140 VAKGALODMAVDRY-RCCKNPSSSA-N 319.429 5.951 30 10 DKEE CCCCCCCCN(CCCCCCCC)Cn1cccn1 103009738 DSJFEMABGGXYPS-UHFFFAOYSA-N 321.553 5.864 30 10 DKEE CCCCCCCNC1=CC(=O)C[C@H](c2ccc(Cl)cc2)C1 104661930 WIQSQELOZQXJSL-MRXNPFEDSA-N 319.876 5.230 30 10 DKEE CCCCCCCCO[C@H](CNCC)c1ccccc1Cl 110070461 KNZOVXQYXOFJGS-GOSISDBHSA-N 311.897 5.368 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(F)c(Br)c1 114874583 ULNBUKOSSQJWJH-HNNXBMFYSA-N 317.242 5.372 30 10 DKEE CCCCCCC[C@H](C)Nc1c(F)cc(F)cc1[N+](=O)[O-] 132372677 OHKXZDXGFWKBPH-NSHDSACASA-N 300.349 5.034 30 10 DKEE CCCCCCC[C@@H](NCCC)c1c(Cl)cccc1Cl 158069082 HISRNGSDIKAOOX-MRXNPFEDSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(F)c(Cl)cc1F 168202335 LGYFJMOXJALPKV-INIZCTEOSA-N 304.808 5.792 30 10 DKEE CCCCCCCCCCCCCCCCC(=O)CC(C)=O 225126699 XHEGBYNTQVVNCW-UHFFFAOYSA-N 310.522 6.406 30 10 DKEE C=CCCCCC[C@H](N)c1cc(C)c(Br)c(C)c1 235746856 LFEIZTRPSHRQOK-HNNXBMFYSA-N 310.279 5.202 30 10 DKEE CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cccc(C#N)c1 242608499 CLNQWXLRSADJBH-UHFFFAOYSA-N 321.424 5.449 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccsc1Cl 312546300 YYTCXGUYXXJSGI-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE CCCC(CS)(CCC)COc1ccc(Cl)cc1F 388433955 UPQVYTGEJCYRCE-UHFFFAOYSA-N 304.858 5.374 30 10 DKEE CCCCCCCCCCC(=O)[C@H](C)OCc1ccccc1 404542105 KHEQQYGGDKTFKI-SFHVURJKSA-N 304.474 5.692 30 10 DKEE N#Cc1ccc(Nc2ccc(SC(F)F)cc2)c(Cl)c1 690186042 XNHREAIPMYHYJU-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE N#Cc1c(N=Cc2ccc3ccccc3c2)sc2c1CCCC2 1084397747 PAKABQSKKDHEGK-UHFFFAOYSA-N 316.429 5.402 30 10 DKEE CCCCCCC[C@](C)(O)C(=O)c1cc(Cl)ccc1Cl 1919415202 CMFWVRFHLIDCBA-INIZCTEOSA-N 317.256 5.288 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1sc(Br)cc1C 2000384148 FKHGXTDYIVSJHB-MFKMUULPSA-N 316.308 5.072 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2sc(Br)cc2C)CC1 2010785527 YKXYVZFAMFPMDK-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Br)ccn1 2038244922 LNZAEMFVVPIMEU-HNNXBMFYSA-N 314.267 5.018 30 10 DKEE C=CCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2045654584 IQYMWJSEWMZPQL-LBPRGKRZSA-N 306.664 5.783 30 10 DKEE CC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 2060397605 GCIHZQMIDKGSQV-NSCUHMNNSA-N 315.583 5.509 30 10 DKEE C=CC[C@H](CNCC(C)C)Cc1cc(Cl)sc1Cl 2074835514 RNESUMIPHGVHCM-NSHDSACASA-N 306.302 5.035 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(Br)co1 2086258305 CAULVDZVSIOGSY-CQSZACIVSA-N 314.267 5.349 30 10 DKEE CCCCCCCCCNc1ccc(Br)nc1C 2086285704 FSOJTZHUXNPRJD-UHFFFAOYSA-N 313.283 5.315 30 10 DKEE C=C([C@H](NCCC)c1c(Cl)cccc1Cl)C(C)(C)C 2096632867 OUYWAJKQUASGAX-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C=O)CCCCC1(C)C 2117037696 VBNXWMGLZRBGGC-CXAGYDPISA-N 323.274 5.338 30 10 DKEE CCC[C@H](C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)C 2144871685 BNHJMLSHEJYMSO-QWHCGFSZSA-N 312.240 5.242 30 10 DKEE C=C([C@@H](CSc1cccc(Cl)c1)NCCC)C(C)(C)C 2152941008 FSNRIGVZFYCTTL-MRXNPFEDSA-N 311.922 5.403 30 10 DKEE C=C([C@H](NCCC)[C@H]1CCCC(F)(F)CC1)[Si](C)(C)C 2155808366 XZZNWQLMUJEZDQ-GJZGRUSLSA-N 303.513 5.004 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cscc2C(F)(F)F)C1 2157159034 CNWQSWCZPOIIRY-RISCZKNCSA-N 301.377 5.420 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(-c2cccs2)cs1 2164106506 CGSGCWCHPDVCIC-CXAGYDPISA-N 305.512 5.730 30 10 DKEE C=CC1(CN[C@@H](CC)c2ccc(Cl)cc2Cl)CCCC1 2189515504 VZKJJLSGRQANDV-INIZCTEOSA-N 312.284 5.781 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cccc(Cl)c1Cl 2203788427 YJCMFQNVILOKKI-INIZCTEOSA-N 312.284 5.618 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1cccc(Cl)c1F 2240621432 HXAKTVHXODHWIN-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1ccc(F)cc1Cl 2240622819 YFNMSHNOPKYGKV-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE C=CCCCCC[C@H](N)c1cc(Br)c(F)cc1C 2258105379 OQZYECWTPDWNAS-HNNXBMFYSA-N 314.242 5.033 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc2cscc2s1 2284095436 KTXUTHISRGBDLH-AWEZNQCLSA-N 303.496 5.219 30 10 DKEE C=CCCCCCCCSc1nc([C@@H](C)NCC)cs1 2287069114 ALLBFOVAKHTAHS-CQSZACIVSA-N 312.548 5.432 30 10 DKEE Cc1ccc(Cl)c(NC=CC(=O)c2ccc(Cl)cc2)c1 2297452654 YTSWXVMFMQTXSE-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE C(=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 2297736688 AUTIDUMKGDWIMK-UHFFFAOYSA-N 315.460 5.905 30 10 DKEE C=C(CC)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341122069 QBLYGZCILCINRV-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349844351 FKAAHEOSWIZWOK-BONVTDFDSA-N 304.236 5.385 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cscc1C(F)(F)F 2364085254 BEEVKFJKUFBTLJ-CQSZACIVSA-N 303.393 5.186 30 10 DKEE CCCCCCC[C@H](N)CCCCC(F)(F)C(F)(F)F 2368116428 LCEWVNXHQNNNTN-LBPRGKRZSA-N 303.359 5.432 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cscc1C(F)F 2370481889 IDVKYWLCOPAXBM-GDBMZVCRSA-N 301.446 5.719 30 10 DKEE Cc1cc(C)cc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c1 37344086 YKTLSGIFKZLERL-CYBMUJFWSA-N 318.203 5.100 30 10 DKEE CCCCCCC[C@H](C)N[C@@H]1CCSc2ccc(F)cc21 59427191 BBUYKGCSXJHSBY-WMLDXEAASA-N 309.494 5.701 30 10 DKEE CC[C@@]1(C)CS/C(=N\c2c(Cl)cc(Cl)cc2Cl)N1 80883070 PVTRNSJJIMYTLH-LBPRGKRZSA-N 323.676 5.139 30 10 DKEE CCCC(CS)(CCC)COc1ccc(F)cc1Cl 94582195 BINVFNWSZDXQEJ-UHFFFAOYSA-N 304.858 5.374 30 10 DKEE CCCCCCCCCOc1ccc(Cl)cc1[C@@H](C)NC 110096357 HLWSNJDBWHTTTG-OAHLLOKOSA-N 311.897 5.750 30 10 DKEE CCCCCCCCCCCC(=O)[C@@H](C#N)c1cccs1 115858146 CDNSWIPZYORWOJ-MRXNPFEDSA-N 305.487 5.845 30 10 DKEE CCCCCCCCC[C@H](NN)c1cccc(Cl)c1Cl 122214349 PMKJFCZPHXQBBK-HNNXBMFYSA-N 317.304 5.639 30 10 DKEE N#Cc1ccc(Cl)cc1OCc1ccc(Cl)c(Cl)c1 128997760 ATQJSUKVWTVWMN-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCC[C@H](NCC)c1cc2c(s1)CCCCC2 157997095 TUWRSVYPISSSLD-KRWDZBQOSA-N 307.547 6.028 30 10 DKEE CCCCCCC[C@H]1C[C@H](NCC)c2cc(Cl)ccc2O1 229196226 LZZFSLSDTLMPBK-RDJZCZTQSA-N 309.881 5.502 30 10 DKEE CCCCCCCCC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 304413516 PYQUGCSLMMODHF-UHFFFAOYSA-N 322.493 5.278 30 10 DKEE CC1(C)OB([C@@H]2C[C@@H]2c2cc(Cl)sc2Cl)OC1(C)C 307472958 ULXHNCKNLLAXGV-VXNVDRBHSA-N 319.062 5.005 30 10 DKEE C/C=C\CC/N=C\c1cc(Cl)ccc1NC(=O)OC(C)(C)C 383695613 BCTTWRVOCFROTR-SRXDHOOHSA-N 322.836 5.072 30 10 DKEE Cc1scc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1C 399766712 JBGKXQIVHFKQGM-JTQLQIEISA-N 324.232 5.162 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(C)ccc1Br 715776795 XYVXILCDDNCCSO-BBRMVZONSA-N 310.279 5.010 30 10 DKEE CC[C@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)C1CC1 720367770 MNXFLYJJKDMGNL-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc(C)cc(Br)c2)CC1 724598461 BFQKOQZSIQJGAO-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CSc1sc2cc(SC(F)(F)F)ccc2c1CC#N 725318469 LUOLDWLPFIAKPT-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE Cc1cccc2c(C=Nc3ccccn3)c(-c3ccccc3)[nH]c12 1084506022 UOFOLXLLVWAQTD-UHFFFAOYSA-N 311.388 5.289 30 10 DKEE CCCCCCCCCCNC(=O)CCCc1ccccc1 1859577542 GXQKESMAWHQEOS-UHFFFAOYSA-N 303.490 5.266 30 10 DKEE Cc1ccc(Nc2nccc(-c3ccccc3)c2C#N)cc1Cl 1859831414 RPUZXDVCFMKGAJ-UHFFFAOYSA-N 319.795 5.326 30 10 DKEE CC[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871420791 DTAVQUFNOUIRCV-YQNUULROSA-N 322.404 5.097 30 10 DKEE CCCCCCCC[S@@](=N)(=O)Cc1ccc(Cl)cc1 1917911853 OUCGNCPHQSAXHQ-LJQANCHMSA-N 301.883 5.247 30 10 DKEE CCCCCCC[C@@H](N)c1cccc(Cl)c1Br 1948983902 NFJTWSDIHPUVLS-CYBMUJFWSA-N 318.686 5.463 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 1985704408 DOLJBOPKAFPNAQ-FQEVSTJZSA-N 313.416 5.180 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1ccc(Br)cc1F 2085282161 AKPOVXBRWYFFRE-QKCSRTOESA-N 310.210 5.022 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2116655155 BCNUTQSAMMXFGP-DOMZBBRYSA-N 300.273 5.116 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cccc(C)c1Br 2123087938 FVRFOYRAGDZZTE-MRXNPFEDSA-N 324.306 5.545 30 10 DKEE C=CCCCCCC[C@H](N)Cc1ccc(Cl)cc1Cl 2141913504 IWABBAPYKMBCEL-HNNXBMFYSA-N 300.273 5.390 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2196169264 AGHFBQQTFPDXCU-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CCc1cscc1C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203951613 MTKODSUIOWPHSG-CYBMUJFWSA-N 324.232 5.107 30 10 DKEE C=CCC1(NCc2ccc(-c3cccs3)s2)CCCC1 2205879581 QBJYLKUOHOHHNO-UHFFFAOYSA-N 303.496 5.455 30 10 DKEE C=CCCCCCC[C@](C)(O)c1ccc(C(F)(F)F)s1 2206992889 ZNKJICAFDFTLGU-AWEZNQCLSA-N 306.393 5.501 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2212372396 MIDMLQORWDCBOM-FSSWDIPSSA-N 311.513 5.671 30 10 DKEE C=CCCCCCCC[C@H](N)c1snc(Cl)c1Cl 2220082293 KSUHNQQUGLVDKP-JTQLQIEISA-N 307.290 5.366 30 10 DKEE CCCCCCCC[C@](C)(O)c1c(F)ccc(F)c1Cl 2240626986 GATONBLQGCHHQG-INIZCTEOSA-N 304.808 5.576 30 10 DKEE C=CCCSC[C@@H](NCCC)c1ccc(Cl)cc1Cl 2271589377 FYLKMMZEAAGRAC-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE C=CCC[C@H](C)[C@@H](OCCCN)c1ccc(Cl)cc1Cl 2294231280 PQAGPJYPNAASRM-BLLLJJGKSA-N 316.272 5.002 30 10 DKEE COc1ccc2c(c1)CCC(=Cc1ccc3ccccc3c1)C2=O 2297334176 LKPWFNAURUXANK-UHFFFAOYSA-N 314.384 5.061 30 10 DKEE O=C1C(=CNc2cccc3ccccc23)Sc2ccccc21 2297734865 CRFKLINFQDYEPJ-UHFFFAOYSA-N 303.386 5.082 30 10 DKEE C=CCC(CC=C)Nc1ccc(Br)c(Cl)c1F 2301047227 YCKQUXUDLOQQDS-UHFFFAOYSA-N 318.617 5.174 30 10 DKEE CCCC[C@@H](CC)COCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2301860459 ZWZUMWFCDFCPHS-MRXNPFEDSA-N 324.314 5.187 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cc(Br)cs1 2304035304 LCNPOYPQZLFXSV-ZDUSSCGKSA-N 316.308 5.154 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccc(Cl)c(Cl)c1C 2364010619 OBLRJOHEKKHHEY-OAHLLOKOSA-N 317.300 5.956 30 10 DKEE Cc1c([C@@H](N)C#Cc2ccccc2Cl)ccc(Cl)c1Cl 2364544233 YCKUDGVBPKSEQH-HNNXBMFYSA-N 324.638 5.007 30 10 DKEE CCCCC#CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2366804930 AARKVMRALLTJQV-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE O=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1Cl 1227586 MWLHHGXMQSMPAI-YBFXNURJSA-N 310.740 5.152 30 10 DKEE CC1(C)CCC[C@](C#N)(Nc2ccc(Br)cc2)CC1 86914103 ISGMKVWQHPBXHE-INIZCTEOSA-N 321.262 5.114 30 10 DKEE C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C1 87528604 MXYATHGRPJZBNA-BDUQCRIQSA-N 302.458 5.206 30 10 DKEE in-vitro CCCCCCCCCCC[C@@H](NC)c1ccc(Cl)cc1 115856234 CYKWJFJFTDMKEV-LJQANCHMSA-N 309.925 6.521 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1ccncc1Cl 123615173 FIPUBAUWRLSSGE-KRWDZBQOSA-N 311.897 5.559 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(Br)cc1Cl 167674818 SKVPDBJJVADHHF-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE Cc1ccc(Nc2cccc(Br)c2C#N)c(Cl)c1 168467621 DBIFEZATWGPYJG-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC(C)c1cccc(Nc2ccc(C#N)c(Br)c2)c1 228177235 GKFTYOBVYYUTBP-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Cl)cc(Br)c1 233106158 IRTZGIOXDWNDFT-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cccc(OCc2ccccc2)c1 303759942 JZMIKICHHVGHHC-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE CC(C)(C)OC(=O)NCCCCCCCCCCCCS 514277770 IQAJUGLSHCJHBS-UHFFFAOYSA-N 317.539 5.342 30 10 DKEE C[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698376699 MFDJOERVXDMLIX-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698854817 FYZFHEDLFKQKBH-QGZVFWFLSA-N 322.836 5.164 30 10 DKEE C=C(C)CCOC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 709584729 UCYJFJODHOPAPW-INIZCTEOSA-N 316.272 5.017 30 10 DKEE Fc1c(C(F)(F)F)cc(SC(F)(F)F)c2ccsc12 725305166 QHQMRYTUGOJOJU-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CCCCCCCSc1nc(-c2cc(C)ccc2C)cs1 1860816133 IJWXELZLJIBUCK-UHFFFAOYSA-N 319.539 6.489 30 10 DKEE C=CCCCCC(=O)c1sc(CC)cc1Br 1984522080 PZURRZINYZOZDG-UHFFFAOYSA-N 301.249 5.002 30 10 DKEE CCCCCCC[C@]1(O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 1988780036 GDWFACFEQGOKOJ-BURNTYAHSA-N 316.485 5.093 30 10 DKEE C=CCCCCCC(=O)c1sc(CC)cc1Br 2000211903 PZSMNSSDHOBTRK-UHFFFAOYSA-N 315.276 5.392 30 10 DKEE C=C([C@H](N)c1c(Cl)ccc(Cl)c1Cl)[Si](C)(C)C 2000266123 FVMGEXSBTKQGTR-LBPRGKRZSA-N 308.712 5.080 30 10 DKEE CCCCCCCCNc1cc(C)c(C)nc1Br 2061204886 MBWOFEMHQMBXKM-UHFFFAOYSA-N 313.283 5.233 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](c1ccc(F)cc1)C(C)C 2070131226 MEUPBNAQIUJJQN-NRFANRHFSA-N 324.443 5.297 30 10 DKEE C=CC[C@H](C)C(=O)c1ccc(-c2ccc(Br)cc2)o1 2107823677 LOWKHLPKRINMMH-NSHDSACASA-N 319.198 5.104 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cc(Cl)sc2Cl)C1 2112230862 GMGLFOHVZRMXLH-BXUZGUMPSA-N 318.269 5.198 30 10 DKEE CCCCCC1CC(Nc2ccc(C#N)c(Br)c2)C1 2123373732 WORXNFPWPKAOKB-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCSc1ccccc1N=C1N[C@](C)(CCC)CS1 2158456830 HDAQRZPRWLBURZ-MRXNPFEDSA-N 308.516 5.071 30 10 DKEE C=C(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)[Si](C)(C)C 2164074107 VFRPVCVGVNBPBT-UHFFFAOYSA-N 320.917 5.685 30 10 DKEE CCCCCCCCC[C@H](CCCCSC)NCCC 2172973191 FLPMKKZSSHFAPO-GOSISDBHSA-N 301.584 6.029 30 10 DKEE CCCC1(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)CCC1 2189685400 SZYRTGGRPNCGRQ-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1nc(Cl)cs1 2235518994 LVWIVNQGWPXPGT-CQSZACIVSA-N 314.926 5.754 30 10 DKEE C=C[C@H](CCCCC)OC[C@H](N)c1cccc(Cl)c1Cl 2239505853 ZWBJVODCGDSOEE-DOMZBBRYSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1ccoc1Br 2259196493 KIWNBBGCCKROGY-CQSZACIVSA-N 314.267 5.219 30 10 DKEE C=CCCCCCCCSc1nc2ccc(N)cc2s1 2287183250 SVWPFHRRTZIXTA-UHFFFAOYSA-N 306.500 5.497 30 10 DKEE C=CC1(C[C@@H](NC)c2sc(C(F)(F)F)cc2C)CCC1 2295250059 NXUYXZLOAODIGW-LLVKDONJSA-N 303.393 5.082 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2321132695 AIJOVKFGGUNIKZ-OTYXRUKQSA-N 306.664 5.510 30 10 DKEE CC(=NOCc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 2330458816 GDJXZQKVMZXICX-UHFFFAOYSA-N 319.379 5.434 30 10 DKEE C=CCC(CC=C)SC[C@@H](N)c1cc(Cl)cc(Cl)c1 2335204791 WZLORGAFKFJPAN-OAHLLOKOSA-N 316.297 5.247 30 10 DKEE CCCCCCCC[C@@H](NN)c1c(Cl)cc(F)cc1Cl 2360399345 DKXUQDXFJJFENH-CQSZACIVSA-N 321.267 5.388 30 10 DKEE CCn1cc(/C=N/c2cc(Cl)ccc2OC)c2ccccc21 40570815 QXXVRCZPCKNKKQ-RGVLZGJSSA-N 312.800 5.074 30 10 DKEE CCCCCCCCCCC[C@H]1C[C@@H]1CCCCC(=O)OC 100056072 RBKVUWMZDIQOTG-OALUTQOASA-N 310.522 6.277 30 10 DKEE CCCCCCCCCCCN1C(=O)C(=O)c2cccc(C)c21 100958133 SWPOYYCRVYULRX-UHFFFAOYSA-N 315.457 5.055 30 10 DKEE CCCCCCCn1c([C@@H](O)c2ccccc2)nc2ccccc21 101263154 AMZRJXORKPGEDE-FQEVSTJZSA-N 322.452 5.088 30 10 DKEE CCCCCCCCCCN1CCSc2ccc(N)cc21 110369064 MTCZMOKQOKBSLP-UHFFFAOYSA-N 306.519 5.322 30 10 DKEE CCCCCCCCn1c2ccccc2c2cc([N+](=O)[O-])ccc21 113429455 BPYJYAMCNGEZBK-UHFFFAOYSA-N 324.424 6.063 30 10 DKEE CCCCCCCCNc1c(F)cc(Br)cc1F 115094374 DZAUZDSAESZLRC-UHFFFAOYSA-N 320.221 5.500 30 10 DKEE CCCCCCCCCOc1ccc(Br)cc1C#N 124447225 MWEWWPMSVGGHRZ-UHFFFAOYSA-N 324.262 5.450 30 10 DKEE CCCCCCCCC[C@@H](C)CCCCCCCC(=O)OC 140971016 UASPZJFGZNQSQW-LJQANCHMSA-N 312.538 6.667 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc(C)cc(Cl)c1 162361806 MPOGVSLSIVLABU-LJQANCHMSA-N 309.925 6.440 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1cc(C)c(C)s1 162525297 OOEMSZPYVYYPFG-SFHVURJKSA-N 309.563 6.676 30 10 DKEE C[C@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)cc1Cl 227606718 BKMBLLSGQNXFDP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1cc(Cl)ccc1Oc1ccc(C#N)c(Br)c1 228200443 XKPCMFMCDIRMTF-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Cl)sc1Cl 233543665 WJBSWHHCGHRWNA-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE N#Cc1cc(Cl)ccc1Sc1cc(Cl)cc(Cl)c1 385384310 VNDRRQBWAZFLRJ-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CCCCCCCC[C@H](NCCC)[C@H](C)OCc1ccccc1 404354306 AECBSMHBUWMIQI-FPOVZHCZSA-N 319.533 5.711 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H](C)OCc1ccccc1 404514496 RSSUQOSNNMCIRN-ICSRJNTNSA-N 305.506 5.320 30 10 DKEE CCCCCCCCC[C@@H](N)c1oc(C)cc1Br 706257144 VXDCUUIRJSCWAH-CQSZACIVSA-N 316.283 5.491 30 10 DKEE CCCCCCCCOCc1ccc(Br)c(F)c1 721994410 CWCROMBHGDEAAO-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE Clc1cccc(C=NN(c2ccccc2)c2ccccc2)c1 1084542422 LPRAQUCMQJCNKA-UHFFFAOYSA-N 306.796 5.512 30 10 DKEE N#C[C@H](c1ccccc1)c1ccc(N=Cc2ccco2)cc1Cl 1088737019 STTBTRTZJIQTQX-GOSISDBHSA-N 320.779 5.339 30 10 DKEE Cc1ccc(/N=C2/S[CH][C@@H](c3ccc(F)cc3)N2C)cc1C 1616088077 BOPHZLKHZKARQC-DMEQXSTQSA-N 313.421 5.012 30 10 DKEE C=CCOc1ccccc1/C=C/C(=O)c1ccc2ccccc2c1 1874571559 UORNCUAATCXIRA-BUHFOSPRSA-N 314.384 5.301 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1nc(Cl)cs1 1887973534 WZOUTQRPFKAOOL-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE CCCC(CS)(CCC)COCCCOCc1ccccc1 1910810375 CSQWAEGCCAEBIW-UHFFFAOYSA-N 324.530 5.126 30 10 DKEE C=CCCCCCCC(=O)c1cscc1Br 1995180146 NWSGNANTFJBNCT-UHFFFAOYSA-N 301.249 5.220 30 10 DKEE C=CCCCCCCCCCN(CCCN)Cc1ccccc1 1995328448 RKZWRMMZBBBZOO-UHFFFAOYSA-N 316.533 5.144 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2csc(Br)c2)C1 2024825029 SPJNJKNESMGLRS-FZMZJTMJSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCNc1cccc(Br)c1F 2026013013 SYCMRQUQZRLHCU-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE C=C1CC(C[C@H](NC)c2c(Cl)ccc(Cl)c2Cl)C1 2061738498 COAJENNWWMGAQG-LBPRGKRZSA-N 304.648 5.264 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Br)c(C)c1 2102112337 RTHJTMIMSIQOHA-GUYCJALGSA-N 324.306 5.401 30 10 DKEE N#Cc1cc(F)c(Nc2cccc(Cl)c2Cl)cc1Cl 2120883052 GMJDAVSVAOTALK-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CC[C@@]1(C)CCSC(=Nc2cc(F)c(Cl)cc2Cl)N1 2138950977 PAJMTDXBNBLIMR-ZDUSSCGKSA-N 321.248 5.015 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccc(Br)cc1 2142442915 AWFFDNLJMWKXHW-QGZVFWFLSA-N 324.306 5.756 30 10 DKEE C=CCCCCCCCCNc1cccc(C)c1Br 2142452188 FACZUAWHLPWKLC-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE C=C1CC(C[C@H](O)c2ccc(-c3ccccc3Cl)s2)C1 2182128218 JBWTWPQNTYOKKG-HNNXBMFYSA-N 304.842 5.458 30 10 DKEE N#CCN(Cc1ccc(Cl)cc1Cl)C1CCCCCC1 2195573667 NOAOZUQCOBHFIP-UHFFFAOYSA-N 311.256 5.042 30 10 DKEE C=C(c1ccccc1)[C@](C)(N)c1cc(F)c(Cl)cc1Cl 2197141322 DERJEFCFGMXLBR-INIZCTEOSA-N 310.199 5.020 30 10 DKEE C=CCSc1ccccc1NCc1cc2sccc2s1 2205530715 GDGSWZWLENQDQA-UHFFFAOYSA-N 317.504 5.853 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Br)c(C)c1 2227287986 RPUUQDQYICPABT-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1cccc(Cl)c1Cl)NCCC 2227509244 QZRNZHIQVGOPJJ-DOMZBBRYSA-N 300.273 5.116 30 10 DKEE C=CC[C@@H](C)[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2254725249 AEWJSPLYMAMABR-MLGOLLRUSA-N 310.279 5.045 30 10 DKEE C=CCCCCc1cc(Br)cc(OC(F)(F)F)c1 2260200799 YSSDLSNYUNVMTB-UHFFFAOYSA-N 323.152 5.247 30 10 DKEE C=CCCSC[C@H](NCC)c1cc(Cl)cc(Cl)c1F 2271595841 CCWBPGQBTDBJMX-ZDUSSCGKSA-N 322.276 5.092 30 10 DKEE C=C(C)CCCC[C@H](Cc1cc(Cl)ccc1Cl)NC 2271840926 HMUUXSVHBPTVLH-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE CCCCCCC[C@](C)(OCC(=O)O)c1cscc1Cl 2290841571 NOLJQZVNLPHRDW-HNNXBMFYSA-N 318.866 5.078 30 10 DKEE CCCCCCCCC[C@H](OCCN)c1cscc1F 2294646363 SDQGZTLWLVAPFL-INIZCTEOSA-N 301.471 5.044 30 10 DKEE CC(=NOCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1C 2330459216 VXSKSDGQOBNSNP-UHFFFAOYSA-N 322.235 5.551 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339147842 ALGXXJSMRLNHQW-ZBEGNZNMSA-N 300.273 5.555 30 10 DKEE C=CC(C)(C)CCN[C@H](C)c1ccc(Cl)c(C)c1Cl 2353049279 AYIHJVGWXXLORG-GFCCVEGCSA-N 300.273 5.555 30 10 DKEE COc1c(Cl)cc(C[C@@]2(C#N)CCCC2(C)C)cc1Cl 2365497521 JRPZZRPYUVIMEK-MRXNPFEDSA-N 312.240 5.265 30 10 DKEE CCCN[C@H](C#CC(C)(C)C)c1cc(F)c(Cl)cc1Cl 2377370947 IHSBXJIMGZFJMK-OAHLLOKOSA-N 316.247 5.223 30 10 DKEE N#C[C@]1(Cc2cc(Cl)ccc2Cl)CCc2ccccc2C1 87998323 PKEMOZGKHAHRRB-GOSISDBHSA-N 316.231 5.235 30 10 DKEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)C2 100937458 PDRFPEWXZIRCDX-APPDUMDISA-N 324.251 5.314 30 10 DKEE CCCCCCCCCCC[C@@H](O)[C@@H](CN)c1cccs1 115863077 QFHWURMPJGUIBS-IAGOWNOFSA-N 311.535 5.072 30 10 DKEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)c(Cl)c1 127728073 VLWHOTZJVFSDAF-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCC(CS)(CCC)COc1ccc(Cl)c(F)c1 147858402 XASIMHNSRUNNOG-UHFFFAOYSA-N 304.858 5.374 30 10 DKEE Cc1cccc(N[C@H]2CCCc3sc(Cl)cc32)c1C#N 236012310 IFLMRMYLBXGWQH-ZDUSSCGKSA-N 302.830 5.071 30 10 DKEE Oc1ccc2ccccc2c1C=Nc1ccccc1-c1ccccc1 254828424 MQBACGGJXSUUIQ-UHFFFAOYSA-N 323.395 5.963 30 10 DKEE N#Cc1ccnc(Sc2ccc(Cl)cc2Cl)c1Cl 322813240 UUKWFHNDUOHCBZ-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE CCCCCCC[S@](=O)C(c1ccccc1)c1ccccc1 526899278 XNUPDWZUYFLJRD-QFIPXVFZSA-N 314.494 5.495 30 10 DKEE CCC1([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 687559809 IAHUXCPBDIOOMW-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE CC/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 821219494 NHJLSGXXJFKJII-XTQSDGFTSA-N 323.480 5.932 30 10 DKEE C=CCn1c(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 1873520084 UBNYGZASFQDREW-UHFFFAOYSA-N 303.192 5.196 30 10 DKEE C#C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CCC1 1878558736 MELYFRWAWRFIKT-RNCFNFMXSA-N 316.659 5.099 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@@H](C#N)c1ccccc1)C(C)(C)C 1946838685 CRFOPZYAZWGFAG-WIYYLYMNSA-N 320.480 5.231 30 10 DKEE C=C1CCC(CC[C@@H](O)c2cccc(Br)c2)CC1 2050502180 XUDXNHNMGKGQHG-MRXNPFEDSA-N 309.247 5.009 30 10 DKEE CC1(C)OB([C@H]2C[C@@H]2c2ccccc2-c2ccccc2)OC1(C)C 2058991351 JFEGLKNIUDMZGM-MOPGFXCFSA-N 320.241 5.303 30 10 DKEE C=C[C@H](NCc1c(Cl)ccc(Cl)c1Cl)C1CCC1 2077184262 HLTYUGALDNXXAI-ZDUSSCGKSA-N 304.648 5.091 30 10 DKEE CCCC[C@](C#N)(CC)Cc1ccc(OC)c(Br)c1 2108208278 VEGOMGHBEZTOKN-MRXNPFEDSA-N 324.262 5.110 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C=O)CCCCC12CC2 2117056417 VOJDDQATOYDAQB-DYVFJYSZSA-N 321.258 5.092 30 10 DKEE SCCCCCCCCCOc1cccc2ccsc12 2144688864 ZWHNJWKLRHLZTG-UHFFFAOYSA-N 308.512 5.941 30 10 DKEE CCCN[C@H](CC#CC1CCCCC1)c1sccc1Cl 2149857975 NRYNTTCDBXIYNC-MRXNPFEDSA-N 309.906 5.416 30 10 DKEE C=C([C@H](NC)c1ccc(C(F)(F)F)c(Cl)c1)C(C)(C)C 2152954227 WXUXUYNKKHKCAU-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE C=CCC[C@@H](C)[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2158316908 URVVSJSFXKDNSH-PXAZEXFGSA-N 306.858 5.704 30 10 DKEE CCCCCCCCC[C@@H](NC)c1sc(OC)nc1Cl 2164065540 RQHKWOVGYHNQRG-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1c(Cl)cncc1Cl 2164235927 WJNFLEZLBXMKFM-OAHLLOKOSA-N 313.272 5.013 30 10 DKEE CC(C)C1CCC(C=O)(Cc2cc(Cl)cc(Cl)c2)CC1 2197968209 TYNHWCNGQRLVTK-UHFFFAOYSA-N 313.268 5.567 30 10 DKEE C#C[C@@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1)C1CCCC1 2204043359 HCIMCLPYLNNZNW-IAGOWNOFSA-N 310.268 5.226 30 10 DKEE CC(=CBr)CC1(C=O)CC(C)(C)CC(C)(C)C1 2214050670 WTRGFAXYPWNOFJ-UHFFFAOYSA-N 301.268 5.097 30 10 DKEE CCC(CC)(CC)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234036771 QHEVSCGWCFZQJP-ZDUSSCGKSA-N 312.240 5.386 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc(Cl)ccc1Cl 2235531571 AJSALLHZOZKLGK-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C[C@H](N(Cc1ccccc1)c1c(F)cccc1C#N)C(C)(C)C 2243028692 XMXLDHHZZVHAHX-HNNXBMFYSA-N 310.416 5.139 30 10 DKEE CC1(CNc2c(Br)cccc2C#N)CCCCCC1 2269703712 XVWKFXCJNSXCHD-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1OC 2279051116 VWJIIGQYBNTBDF-OAHLLOKOSA-N 319.272 5.786 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1CNC 2287073369 UHNRVJXMIJTKPI-UHFFFAOYSA-N 311.922 5.678 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCC2(C(F)(F)F)CCC2)C1 2290348355 RDWUMPCBDGNCKT-FRRDWIJNSA-N 305.409 5.171 30 10 DKEE CCCCCC#CC[C@@H](N)c1sc(C(F)(F)F)cc1C 2295061838 HYXQFTZLZYBSPB-GFCCVEGCSA-N 303.393 5.049 30 10 DKEE O=C(C=CNc1cccc(Cl)c1)c1ccc2ccccc2c1 2297534931 HKWNPQWGEPYKFF-UHFFFAOYSA-N 307.780 5.302 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2324155696 ACUQZEMITVSJLV-UHFFFAOYSA-N 320.432 5.661 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1cc(C)c(Br)c(C)c1 2338738090 JXGHCAKBVQHBQQ-KRWDZBQOSA-N 322.290 5.095 30 10 DKEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CNC1CCC1 2360379363 VGEFYQVPGOFPQP-NSHDSACASA-N 313.869 5.178 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(Cl)cc(F)c1Cl 2370521842 LZWOGASJWUXHJB-HZPDHXFCSA-N 318.263 5.776 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1cc(C(F)F)cs1 2370522419 QEHGBBYEKVVSPC-GOEBONIOSA-N 301.446 5.719 30 10 DKEE C[C@@H](c1cccc(Cl)c1)N(C)CC1(CS)CC(C)(C)C1 2371147320 MXOCUGVVFJYDBM-ZDUSSCGKSA-N 311.922 5.069 30 10 DKEE CC1(C)CC(NCc2ccccc2)=C/C(=N\Cc2ccccc2)C1 5285215 NQJKVWNKQKPFFW-DARPEHSRSA-N 318.464 5.121 30 10 DKEE CCCCCCCCCCCCSc1cccc(C=O)c1 80353186 YJHNROCXMPTBGZ-UHFFFAOYSA-N 306.515 6.512 30 10 DKEE Cc1ccc(OC(C)C)c(C(=O)/C=C/c2ccc(Cl)cc2)c1 83205100 RYRQVZDPCLMNLL-JXMROGBWSA-N 314.812 5.332 30 10 DKEE SCCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 90745374 CEZXCVIDNPJEJO-UHFFFAOYSA-N 313.249 5.029 30 10 DKEE CCCCCCCCCCCCCC(=O)O[C@H](C)COC 103000933 QAGSONVQDYKDDS-QGZVFWFLSA-N 300.483 5.266 30 10 DKEE C[C@H](CC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C(C)(C)C 111650361 JEFWMPUKLIOLAP-GHMZBOCLSA-N 312.240 5.242 30 10 DKEE CCCCCCCC[C@H](O)c1cc(C)cc(Br)c1 168338065 WSVPXEJAIPUTLF-INIZCTEOSA-N 313.279 5.542 30 10 DKEE Cc1ccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 169964016 YBYHYGPAJYXPAB-JAIQZWGSSA-N 321.449 5.181 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1 216576506 QIIIXVKYJXFDFG-UYTYNIKBSA-N 307.547 6.043 30 10 DKEE CCCCCCC[C@H](NCC)c1cscc1Br 229842212 WCTKEPKQINILGI-AWEZNQCLSA-N 318.324 5.522 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(Br)cc1 233543991 UDARQUJUTDJQSB-INIZCTEOSA-N 310.279 5.236 30 10 DKEE CC(/C=C\c1ccccc1)=NNc1nc(-c2ccccc2)cs1 254824651 IMFXLYJNUOEQPW-GYLSGRITSA-N 319.433 5.311 30 10 DKEE Cc1ccc([C@@H](C)N(C)CCCCCCCCCS)s1 387246479 JQHJLCYQXPOFML-MRXNPFEDSA-N 313.576 5.710 30 10 DKEE N#C[C@H](CSc1cc(Cl)ccc1Cl)C1CCCCC1 397124685 LGRZPOKGVSNPKB-GFCCVEGCSA-N 314.281 5.806 30 10 DKEE Fc1cccc(-c2ccccc2C(F)(F)F)c1C(F)(F)F 514260342 FMSYPZSXLZVCTO-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE C=CCCC(C)(C)CN[C@H](CC)c1ccc(Cl)cc1Cl 704040237 PCJMCARALJDGSP-MRXNPFEDSA-N 314.300 6.027 30 10 DKEE CCN(CC)c1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1 1614825934 BRJVIEANEYMKEE-UHFFFAOYSA-N 318.247 5.239 30 10 DKEE C=C(C)CCCN[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1935958252 HPWYESUNGMDTAC-OAHLLOKOSA-N 318.461 5.041 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@@H](CS)CC1CC1)C(C)(C)C 1961122406 FVYNMTBSRHLIQT-APWZRJJASA-N 319.558 5.269 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(Br)cs2)C1 2002994739 WMNGMUAZPFWGED-CQSZACIVSA-N 312.276 5.163 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(C)cc(Br)c1 2070444128 FWPGPSAYRQQPLF-LRDDRELGSA-N 310.279 5.010 30 10 DKEE CC(C)c1ccc([C@H](C)n2nc(C3CC3)c(C#N)c2Cl)cc1 2079936409 MAAIFALOFFUZKO-LBPRGKRZSA-N 313.832 5.018 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(Br)c(F)c1 2085918231 XXTLOJIFGVXDKQ-HNNXBMFYSA-N 315.226 5.148 30 10 DKEE CCCCCCC[C@H](NC)[C@H](O)c1cc(Cl)c(Cl)s1 2098747629 UGBQYHJFPILTKE-AAEUAGOBSA-N 324.317 5.037 30 10 DKEE CCCCCCCCCCCC[C@](C)(N)CSC(C)C 2144746400 ULRCZGMSZQHFGV-SFHVURJKSA-N 301.584 6.156 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H](O)c1sccc1Cl 2148583425 QMYDWPQABFQMBL-CABCVRRESA-N 317.926 5.164 30 10 DKEE C=CCCCCCC[C@H](C[C@@H](C)P(C)(C)=O)NCCC 2206901267 ASJCYINLWLLBNM-IAGOWNOFSA-N 301.455 5.283 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1scc(Br)c1C 2213768823 HFWICBBKQMRTDT-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=C[C@H](CC)OC[C@H](NCCC)c1cc(Cl)ccc1Cl 2239489477 IYMCUZMRFOCXSQ-CJNGLKHVSA-N 316.272 5.015 30 10 DKEE C=C[C@@H](C)C[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2254736205 IPICSAKBVLHLOV-MLGOLLRUSA-N 310.279 5.045 30 10 DKEE CC(C)c1cc(Br)cc([C@H]2CCC[C@@H](CC#N)O2)c1 2266017132 FXJWBICJBWLNCK-JKSUJKDBSA-N 322.246 5.096 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1c(F)ccc(Cl)c1F 2287413426 JKKKYARIOUHRNU-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccc(-c2cccs2)s1 2287469404 GEJBSPKBMSYJTM-CQSZACIVSA-N 305.512 5.874 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(Br)s1 2304060276 VZLWHENGMBYXJY-ZIAGYGMSSA-N 316.308 5.154 30 10 DKEE C=CCC(C)(C)[C@@H](O)c1cc(Br)cc(C(C)C)c1 2321228145 KSQNIHBKQJPTHQ-HNNXBMFYSA-N 311.263 5.208 30 10 DKEE Cc1cc(OC[C@@](C)(CS)C(C)(C)C)c(C)cc1Cl 2352179322 SLUAHFQIOMSWBV-INIZCTEOSA-N 300.895 5.318 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352390786 YQPWCDOATMLTFN-ZUZCIYMTSA-N 304.236 5.385 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)c(F)cc1CNC(C)(C)C 2362428673 XWSCLSALBNBBSZ-NSHDSACASA-N 315.885 5.424 30 10 DKEE CCCCCCC[C@H](NC)c1c(F)cc(OC)cc1Cl 2364112553 PAUPQIBFECJHBB-HNNXBMFYSA-N 301.833 5.109 30 10 DKEE O=C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCCC12CC2 2366849139 VDMLYQYXHAEWTM-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE Clc1ccc(/C=N/c2c3ccccc3nc3ccccc23)cc1 5800536 MXDRBVRUMYLRJQ-LPYMAVHISA-N 316.791 5.792 30 10 DKEE CCOc1c(Cl)cc(/C=N/Nc2ccc(C)cc2)cc1Cl 82252251 ZBVIKMPTCKLIRN-VXLYETTFSA-N 323.223 5.147 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1C(C)C 83192657 GWMRQWFIPWFPJQ-ZRDIBKRKSA-N 308.421 5.413 30 10 DKEE CCCCCCCCCCCC[C@H](O)Cc1nc(C)cs1 109714282 PBCHOCDUMSTIAG-KRWDZBQOSA-N 311.535 5.666 30 10 DKEE CCCCCCCCCNc1c(Cl)cccc1C(F)(F)F 110159730 QCKWSPKSJHHVQA-UHFFFAOYSA-N 321.814 6.521 30 10 DKEE CC[C@H](C)Oc1cccc(Nc2ccc(Cl)cc2C#N)c1 110258094 VOJVWZQYXQOFMT-LBPRGKRZSA-N 300.789 5.133 30 10 DKEE CCCCCCCCCCCC[C@H](CSCC)NCC 115644328 YQBGDWADSOBCSA-GOSISDBHSA-N 301.584 6.029 30 10 DKEE CCCCCCCCCC[C@H](NCCC)[C@H]1CCCCS1 157790914 KTVRGZRTRXOVMR-RBUKOAKNSA-N 313.595 6.171 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc(C)cc(Cl)c1 162361664 MPOGVSLSIVLABU-IBGZPJMESA-N 309.925 6.440 30 10 DKEE Cc1cc(OCc2ccc(C#N)cc2Cl)cc(C)c1Cl 162982306 WMLGQLJICWGHFD-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE CCCCCCCC(=O)c1c(F)cc(Br)cc1F 164709094 SLXZQQBMZVNMPQ-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE CCCCCCCCOc1c(Cl)cccc1C[C@H](N)CC 169173036 KOCRYMJYHGKOOH-MRXNPFEDSA-N 311.897 5.359 30 10 DKEE Cc1cccc(C#N)c1Nc1cc(Cl)c(Cl)cc1Cl 220985709 RGPQZCSBHLFACF-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)c(Cl)c2)C1 227713633 KJNIYHOHPKXLKT-RULNRJAQSA-N 300.254 5.414 30 10 DKEE CCCCCCCNc1nc(SCc2ccccc2)ns1 257633196 JKJFKEBMAWHSKI-UHFFFAOYSA-N 321.515 5.213 30 10 DKEE CCCCCCCCCOc1cc(Cl)cc(C(N)=S)c1 312958859 MQBWXMGQLYRISF-UHFFFAOYSA-N 313.894 5.104 30 10 DKEE C[C@H](/N=C(/O)C[C@H]1CCCCN=C1O)c1ccc2ccccc2c1 328769048 IJAFVNRMSQCIDR-KBXCAEBGSA-N 324.424 5.004 30 10 DKEE CCCCCCCCC[C@@H](CCOCc1ccccc1)NC 395574179 VOQUDCPMCIFJEW-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE C=CC(C)(C)CCN[C@H](CC)c1cccc(Br)c1 701865698 VIRCVCCSHDGRNT-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE CCCCCCC[C@H](C)NCc1cccc(Cl)c1Cl 710548217 NHJBNSWZZHGBPN-ZDUSSCGKSA-N 302.289 5.832 30 10 DKEE CCCCCCC[C@H](C)NCCc1cc(Cl)sc1Cl 1883083490 LCOAETLPDOYGNQ-LBPRGKRZSA-N 322.345 5.936 30 10 DKEE C=CCC(CC=C)Nc1ccc(OCc2ccccc2)cc1C 1900970942 CLFCKLPSLKMCDD-UHFFFAOYSA-N 307.437 5.507 30 10 DKEE CCC[C@H](CS)CSCc1ccccc1Br 1902032239 JFMCGKTXCOVMIU-LLVKDONJSA-N 319.333 5.028 30 10 DKEE CCCCCCC[C@](C)(N)Cc1cc(Cl)ccc1Cl 1919520516 BSUJFKULFZQABH-INIZCTEOSA-N 302.289 5.614 30 10 DKEE SCC1(CN(Cc2ccccc2)CC2CC2)CCCCCC1 1932001967 NTQYJSAFKDUFGP-UHFFFAOYSA-N 317.542 5.169 30 10 DKEE CCCCCCCCCCN(CCCOC)Cc1ccccc1 1990794360 XEYUANPYLRKFRD-UHFFFAOYSA-N 319.533 5.666 30 10 DKEE C=CCCCCC[C@H](NCC)c1scc(Cl)c1Cl 2035096219 HCUOYSUNLRHWNQ-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE C=C1CCC(CCC(=O)c2cccc(Br)c2)CC1 2050514755 DQQUMJULYDXPJP-UHFFFAOYSA-N 307.231 5.158 30 10 DKEE N#C[C@]1(Cc2cccc(Br)c2Cl)CCCC12CC2 2053381114 CTQSCFMMEKYLRK-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE N#CC1(Cc2cc(Cl)sc2Cl)CCCCCCC1 2074834264 ADJVSEUPRZVJLW-UHFFFAOYSA-N 302.270 5.852 30 10 DKEE Cc1cc(C#N)ccc1Oc1nc(Cl)c(Cl)cc1Cl 2120114194 NILDXQGAYSHKTE-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE CCCCCC1CC(Nc2cc(Br)ccc2C#N)C1 2123372724 LUHDNYUFELIKAD-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCNCc1cc2sccc2s1 2205535268 VYTPWMUPJNOXID-UHFFFAOYSA-N 309.544 6.193 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cc(Cl)cc(Cl)c1 2229673885 MPZWWPYRCBBMEO-GFCCVEGCSA-N 300.273 5.636 30 10 DKEE C=CCCCCCCC[C@@H](O)Cc1ccc(Cl)c(Cl)c1 2235524095 MOBPORSLMYVGLZ-OAHLLOKOSA-N 315.284 5.814 30 10 DKEE CCCCCCCC[C@](C)(N)Cc1cccc(Cl)c1Cl 2240629558 UPQNBIJBMRFUEH-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1scc(Br)c1Cl 2242661945 QKDBOKQCWGCPTN-GZMMTYOYSA-N 322.699 5.027 30 10 DKEE Cc1ccc(Br)c(OCCCCCCCS)c1 2252613358 SEMBKZKEPZNLRZ-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(Br)c(F)cc1C 2259236259 ZPPUQEOAVOMELL-OAHLLOKOSA-N 315.226 5.067 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281534987 BADOPEYDFBBURL-XHDPSFHLSA-N 314.256 5.009 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1Cl)c1csc(Cl)c1 2295213901 HQRSGEOMQNYPFK-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE C=CCC(C)(C)C(=O)c1ccc(Br)c(Cl)c1F 2304084764 YBVFVFHUNFQULJ-UHFFFAOYSA-N 319.601 5.027 30 10 DKEE CCCCCCCCCn1cc(C(C)C)nc1Br 2321482736 IIAHHKCFBUEKRL-UHFFFAOYSA-N 315.299 5.520 30 10 DKEE CC(CCc1ccccc1)=NOCc1cc(Cl)ccc1F 2329919403 UMGFGYZGKSZGCV-UHFFFAOYSA-N 305.780 5.004 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)CCCCC(F)(F)C(F)(F)F 2370604272 TVZJQYFMMQOCQG-RYUDHWBXSA-N 302.327 5.098 30 10 DKEE Cc1cc(C)c(C[C@@H](C#N)c2c(F)cccc2Cl)c(C)c1 57760670 YJVPXBLSCCTVKQ-AWEZNQCLSA-N 301.792 5.254 30 10 DKEE N#Cc1cccc(-c2csc(-c3cccc(Cl)c3F)n2)c1 62938312 FUQQZIBIGCXUAF-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 83194189 GHVOGSVMSXNMHE-DHZHZOJOSA-N 308.421 5.297 30 10 DKEE CCC1CCC(C#N)(Cc2ccc(F)cc2Br)CC1 87933671 DHLXHNKGDZUALM-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CCCCCCCCC(=O)Cc1ccc(Cl)c(Cl)c1 109710552 ZVQVOLHWFBFHPI-UHFFFAOYSA-N 301.257 5.856 30 10 DKEE CCCCCCCCCCCC[C@H](O)CSCC(C)C 115645322 LYBNAHJNEMTIAJ-SFHVURJKSA-N 302.568 6.048 30 10 DKEE C[C@H](Nc1c(Cl)cc(F)cc1Cl)c1ccc(C#N)cc1 123147684 WUOOZNGTUSGXEU-VIFPVBQESA-N 309.171 5.177 30 10 DKEE N#Cc1cnc2ccccc2c1SCc1ccc(Cl)cc1 165988793 YXPPJXKAJSKQBH-UHFFFAOYSA-N 310.809 5.052 30 10 DKEE Cc1ccc(Cl)cc1Oc1ccc(Br)cc1C#N 229181221 AYZSIJFGWKRBFE-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(Cl)cc(Cl)c2)C1 382184628 MKPZLAQMCBQGRE-JRPNMDOOSA-N 314.281 5.804 30 10 DKEE CCCC(CS)(CCC)CN1CCC(SC(C)C)CC1 383446184 GOWHHGQRAUKROA-UHFFFAOYSA-N 317.608 5.109 30 10 DKEE CCCCCCCCCCCC[C@@H](N)COCc1ccccc1 395549901 YSILPEBGTUHJJE-OAQYLSRUSA-N 319.533 5.842 30 10 DKEE C=CCCC[C@H](C)N[C@H](CC)c1ccc(Br)cc1 398195872 TZGDISPFZWXNBT-XJKSGUPXSA-N 310.279 5.235 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(F)c(Br)c1F 691584376 FGIQRCQISYHRFP-GFCCVEGCSA-N 321.205 5.121 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 697423388 OCJUTMVXGJDWKO-KRWDZBQOSA-N 319.445 5.204 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(F)c(C)c1 821224255 JYAMWXOOAQUCBM-LVZFUZTISA-N 305.780 5.118 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(Cl)cn1 1865985992 GWTMQZWFGWIAMT-UHFFFAOYSA-N 310.869 5.594 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1cc(C)ccc1C 1874579978 RGEDOCQKPWPURW-VAWYXSNFSA-N 306.405 5.154 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1cccc(Cl)c1C#N 1931998832 QCCISPZNBVBCFX-OAHLLOKOSA-N 312.844 5.263 30 10 DKEE CCCCCCC[C@H](C)N[C@@H]1CC[C@@H]1OCc1ccccc1 1934899015 AEBNILVNRXAIEW-SXLOBPIMSA-N 303.490 5.073 30 10 DKEE CC[C@@](C#N)(CCC(C)C)N(C(=O)OC(C)(C)C)C1CCCC1 1986947283 FMYHQDYNISUPAI-IBGZPJMESA-N 322.493 5.275 30 10 DKEE CC[C@@H](C(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1988765847 XLQUMLFYXVXMOM-DLBZAZTESA-N 322.493 5.131 30 10 DKEE CC#CCCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2083498833 XLMAHDRRANLVPK-SNVBAGLBSA-N 304.648 5.101 30 10 DKEE C=CCCCCCCNc1c(F)cc(Br)cc1F 2085849064 HIXLHOQTNLMEEV-UHFFFAOYSA-N 318.205 5.276 30 10 DKEE C=CCCCCCCNc1cc(C)c(Br)cc1F 2085850658 XSPWBSKEGDMVAZ-UHFFFAOYSA-N 314.242 5.445 30 10 DKEE CCCCCCCCC[C@H](NN)c1ccc(SC)s1 2093283103 WFYFZPNXJGQHQC-ZDUSSCGKSA-N 300.537 5.115 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1c(Cl)cccc1Cl 2102112002 PTMUNRUQIOTEFC-WBMJQRKESA-N 300.273 5.636 30 10 DKEE C=CC1(C[C@](C)(N)c2cc(F)c(Cl)cc2Cl)CCC1 2111722826 QDYZVOVCSWHDFA-AWEZNQCLSA-N 302.220 5.053 30 10 DKEE N#Cc1cc(F)c(SCc2ccc(Cl)cc2)cc1Cl 2120881379 LELHKSQQOQRBFE-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(OC)c(Cl)c1Cl 2138629012 YUUBZLOZKLOWNO-GFCCVEGCSA-N 305.245 5.396 30 10 DKEE C#CCCCCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 2146759353 KSXURDJBCZPEOP-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1scnc1Cl 2154632358 HOLIKKZLJQYAMJ-AWEZNQCLSA-N 316.942 6.107 30 10 DKEE N#C[C@@H](Sc1ccccc1Cl)[C@H]1CCC2(CCCC2)C1 2155222545 IIRGRBIPFMLZQT-XJKSGUPXSA-N 305.874 5.685 30 10 DKEE C=C([C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1)C(F)(F)F 2164007345 XKKCYURMGYFSAF-CYBMUJFWSA-N 317.763 5.187 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1cc(Cl)sc1C 2207396598 MXHABIHWUMEPBQ-MRXNPFEDSA-N 313.938 6.407 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1scc(Cl)c1Cl 2227281676 SGXPPJNHYQDXMU-GFCCVEGCSA-N 321.317 5.476 30 10 DKEE CCC(CC)(CS)CSCCCCCCCC1CC1 2231066102 OYRZYPGDYZHCBF-UHFFFAOYSA-N 302.593 6.206 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1cccc(Cl)c1Cl 2231483491 LYIKSCLJHQLURP-STQMWFEESA-N 300.273 5.116 30 10 DKEE CCCCCCCCC[C@@](C)(CN)N(CC)Cc1ccccc1 2246052239 IREGPDSVZQEXLI-NRFANRHFSA-N 318.549 5.367 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1ccc(Br)o1 2259232000 TUAZMHITTFJZCO-CYBMUJFWSA-N 314.267 5.219 30 10 DKEE CC#CCCC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286471916 DPKFTYLFCBAZAG-QGZVFWFLSA-N 312.284 5.536 30 10 DKEE CCc1ccc(C=C2Oc3cc(O[C@H](C)CC)ccc3C2=O)cc1 2324706707 URCBTYFVKSWKIF-CQSZACIVSA-N 322.404 5.043 30 10 DKEE Cc1c(C)c(C2=CC(=O)C[C@H](C)C2)c(C)c(C)c1Br 2346263609 DJZKRGYRHBDSRB-SECBINFHSA-N 321.258 5.065 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(F)c(Cl)c(Cl)c1 2352388458 NDFGNDPRQLHNNU-GJZGRUSLSA-N 304.236 5.385 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc(OC)c(Cl)s1 2365819921 UHWCQHMLZNSLEY-CYBMUJFWSA-N 315.910 5.587 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1c(Cl)cccc1Cl)NCC 2370482263 LCBVDVYUQZXRLL-DLBZAZTESA-N 314.300 5.506 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cc(F)c(Cl)c(F)c1 2370540881 RJPIIKATMWMNFN-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@@H]21 20753030 WLVSSHGKUXNWSB-RFUYNDQBSA-N 309.434 5.139 30 10 DKEE Cc1ccc(-c2csc3nc(C(C)(C)C)c(CC#N)n23)cc1C 36255833 KDKWPKQNMWYREI-UHFFFAOYSA-N 323.465 5.043 30 10 DKEE CC[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccs1 49532233 JVEGGDUSGFCCHK-GFCCVEGCSA-N 310.344 5.202 30 10 DKEE CCCC(CS)(CCC)COc1cc(C(C)C)ccc1C 94585473 DFYMAERNBDNJRM-UHFFFAOYSA-N 308.531 6.014 30 10 DKEE CCCCCCCCc1ccc(-c2ccc(CCCC)cc2)nc1 97998435 OVKPAKJDJGYAGW-UHFFFAOYSA-N 323.524 6.994 30 10 DKEE CCCCCCCCCCSc1ccc(CC(=O)O)cc1 114114906 BJIKKTLKIMCSHA-UHFFFAOYSA-N 308.487 5.547 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ccncc1Cl 143491908 GQOKXVUUCLGBEK-SFHVURJKSA-N 310.913 6.046 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccc(Cl)cc2)C1 165993085 LMWSDKMOYHLRNO-UKPHBRMFSA-N 307.890 5.682 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(C)c(Br)c(C)c1 235756151 LFEIZTRPSHRQOK-OAHLLOKOSA-N 310.279 5.202 30 10 DKEE C[C@@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)CC#N 253621854 JPDIISCNKYBMAY-RQMSYUQLSA-N 315.501 5.064 30 10 DKEE Cc1ccc(N=Cc2ccc(Sc3ccc(C)cc3)o2)cc1 254528354 NCTZOCZMXIXOAF-UHFFFAOYSA-N 307.418 5.798 30 10 DKEE CC(C)C[C@@H](C)[C@@H](C#N)Sc1ccc(Br)cc1 302585523 SRMHJVRJFZGBBY-BXUZGUMPSA-N 312.276 5.116 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C2CC2)C1 384352598 CJRXGERYZGRVBI-SBHAEUEKSA-N 324.512 5.396 30 10 DKEE CCCCCCCCN(C)Cc1ccccc1Br 404264711 VCLCAJYHKSHUDT-UHFFFAOYSA-N 312.295 5.241 30 10 DKEE N#Cc1c(F)c(F)c(-c2ccc(Cl)cc2Cl)c(F)c1F 514260870 NLKKBCBOJKCQLQ-UHFFFAOYSA-N 320.072 5.088 30 10 DKEE CC[C@](C#N)(C(C)C)N(C(=O)OC(C)(C)C)C1CCCCCC1 698872826 GXRYPDBTSUMUHB-IBGZPJMESA-N 322.493 5.275 30 10 DKEE N#Cc1csc2ccc(SC(F)(F)F)c(C(F)F)c12 725291620 WGFVADDWBJOKKS-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CC#CCCC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 1879646456 FXKKXLKEZHQLHS-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE C=CCCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1F 1899827729 DAZQOBLEJGMAQD-UHFFFAOYSA-N 321.392 5.102 30 10 DKEE C=CCC[C@@H](C)Nc1c(Cl)cc(Cl)cc1Br 1993996594 JSZWLRRGGHPXSV-MRVPVSSYSA-N 323.061 5.523 30 10 DKEE C=CCC[C@@H](C)[C@@H](N)c1cc(Cl)c(C)c(Br)c1 2002244513 OZARCPWBSVYPRF-YMTOWFKASA-N 316.670 5.013 30 10 DKEE C=CC1(CC(=O)c2ccc(Br)cc2Cl)CCC1 2002619251 CRWCGHQXGLDXHK-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE C=C(COCc1ccccc1)C[C@@H](NCCC)c1cccc(C)c1 2003623972 BLCPNLKQIGGVHV-JOCHJYFZSA-N 323.480 5.199 30 10 DKEE CCCCCCCCCC(=O)c1scc(Cl)c1Cl 2035092705 ZAKDDMVXENCZJZ-UHFFFAOYSA-N 307.286 6.378 30 10 DKEE O=C(C=Cc1ccc(-c2ccccc2Cl)o1)c1ccc(O)cc1 2040455490 ZKWWAUZSPGBBNQ-UHFFFAOYSA-N 324.763 5.202 30 10 DKEE C=CCCCCCC[C@H](O)c1cccc(C)c1Br 2085848970 GRPNXDZGBKOVGX-HNNXBMFYSA-N 311.263 5.318 30 10 DKEE C=CCCCCCC[C@@H](O)c1c(F)cccc1Br 2085917558 QNJVGCPBMFGYCS-CQSZACIVSA-N 315.226 5.148 30 10 DKEE C=C1CCC(C[C@@H](NCCC)c2ncc(SC)s2)CC1 2164281999 RPWDSQHCQOEFTJ-CQSZACIVSA-N 310.532 5.042 30 10 DKEE Cc1cc([C@@H](O)C2(C#N)CCC(C(C)C)CC2)sc1Cl 2165373279 KVDZNZQZKWYXEN-CXOJTPOUSA-N 311.878 5.100 30 10 DKEE C=CC[C@H]1CCCCN(CCc2cc(Cl)cc(Cl)c2)C1 2196070930 FXOVHZICBVSHGP-AWEZNQCLSA-N 312.284 5.214 30 10 DKEE CCCCCC#CC[C@@](N)(CC)c1ccc(Cl)c(Cl)c1 2203824479 UKWLXPGHARSMHA-KRWDZBQOSA-N 312.284 5.531 30 10 DKEE N#C[C@H](C(=O)C1CCCCCC1)c1cc(Cl)cc(Cl)c1 2203955480 ADBSWPOWNSODEM-HNNXBMFYSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCCCC[C@H](O)C(F)(F)C(F)(F)F 2207431544 GLRKVDWWAVXBIF-LBPRGKRZSA-N 302.327 5.242 30 10 DKEE CCCCCCCNCc1sc(C)c(Br)c1C 2214019026 RCOUGXITUDYRQN-UHFFFAOYSA-N 318.324 5.187 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1snc(Cl)c1Cl 2259234758 GNGYPWVEOKXKEU-SNVBAGLBSA-N 307.290 5.237 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1cccc(Cl)c1Cl 2284097069 WYJSFOSAGZRUNM-OAHLLOKOSA-N 310.268 5.250 30 10 DKEE C=CCCCCCCCSc1ccc(C(=O)O)c(Cl)c1 2287080760 VGTGXXUBKKBVOI-UHFFFAOYSA-N 312.862 5.657 30 10 DKEE C=CCC(CC=C)SCc1cccc(Br)c1C 2298915887 KSURTXQOWOEVAS-UHFFFAOYSA-N 311.288 5.512 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)c(F)cc1CNC1CCC1 2362445885 FDNFANFPDBIFAC-LLVKDONJSA-N 313.869 5.178 30 10 DKEE CCCN[C@@H](CC#CC1CC1)c1ccc(Cl)c(Cl)c1C 2364416270 YJJUFHWRZNCQKB-INIZCTEOSA-N 310.268 5.146 30 10 DKEE CCCCCCC[C@@H](O)Cc1cc(Cl)c(OC)c(Cl)c1 2365667760 BRNLRECXXFNOQQ-CYBMUJFWSA-N 319.272 5.266 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2365803191 LNIXYAFOWFILIS-CYBMUJFWSA-N 313.894 5.035 30 10 DKEE Cc1sc2nc(-c3ccc(C(C)(C)C)cc3)c(CC#N)n2c1C 36256571 UCZIDLRJOLNVJM-UHFFFAOYSA-N 323.465 5.043 30 10 DKEE Cc1c(Cl)cccc1Nc1ccc(C#N)c(C(F)(F)F)c1 37306356 ZNINGIFEIJRDMY-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCOc1ccccc1CN[C@@H]1CCC[C@@H](C)C1 100131645 WTEXRDQIGGXJPL-UYAOXDASSA-N 317.517 5.704 30 10 DKEE CCCCc1ccc(N/C=C\C(=O)c2ccc(OCC)cc2)cc1 103030092 GNGKAUNHDODKCC-NXVVXOECSA-N 323.436 5.236 30 10 DKEE CCCCCCCCCCCC[C@@H](CSC(C)C)NN 126600435 KSOROZACJLPOHM-KRWDZBQOSA-N 302.572 5.271 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(C)cc1Cl 128056470 MDJBJEQPVCKOCG-ZDUSSCGKSA-N 302.289 6.463 30 10 DKEE COc1cccc(S[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1 222246448 UQGMWYPVHRHKJK-KEYYUXOJSA-N 303.471 5.142 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 229130398 RTXOCTFQRJMFRM-ZDUSSCGKSA-N 312.841 5.718 30 10 DKEE C[C@@H]1C/C(=C/c2cccc(F)c2)C(=O)/C(=C/c2cccc(F)c2)C1 245284731 UILJQKRCZVEALE-RQDKYUEZSA-N 324.370 5.431 30 10 DKEE CCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 302864892 XZXVAQUYFZNHLG-XUVXKRRUSA-N 312.501 5.253 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1cc(Cl)cc(Cl)c1 306079167 BWWLNXBSNVLGLY-VIFPVBQESA-N 309.327 5.678 30 10 DKEE CCCCCCCCOCc1cc(Cl)cc(Cl)c1N 311452782 STQVKZIKYOSPTQ-UHFFFAOYSA-N 304.261 5.453 30 10 DKEE C#C[C@@H](Nc1ccccc1OCc1ccccc1)c1ccccc1 328368187 CXBPQSPFUVBONT-HXUWFJFHSA-N 313.400 5.052 30 10 DKEE C#CCCCCC[C@H](NCCC)c1ncc(Cl)cc1Cl 686702327 GFRFYINERNFHDN-HNNXBMFYSA-N 313.272 5.013 30 10 DKEE C=CCC1(Nc2ncc(C(F)(F)F)cc2Cl)CCCC1 690710188 ANEKKTXPWNAXDJ-UHFFFAOYSA-N 304.743 5.055 30 10 DKEE Cc1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698480873 YSPJDWYBJKYSMK-SFHVURJKSA-N 322.408 5.001 30 10 DKEE CCCCCCCCCCC1(N)CC(OCc2ccccc2)C1 716203507 MIZSTJUUSRWBRZ-UHFFFAOYSA-N 317.517 5.594 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)cc(Cl)c2)CCCC(F)(F)C1 1893176482 UWWIPBSLXJQLEV-CYBMUJFWSA-N 304.167 5.255 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CCC)CC(C)C 1922071342 JSXHQJDGKYVTEC-RTWAWAEBSA-N 317.517 5.200 30 10 DKEE C=C(COCc1ccccc1)C(=O)CCCCCCCCCC 1978676892 NBXNRWGLJBVAJQ-UHFFFAOYSA-N 316.485 5.859 30 10 DKEE C=CC1(C[C@H](NC)c2ccccc2OCc2ccccc2)CCC1 2002638978 LRSOLRLTWIGAHM-FQEVSTJZSA-N 321.464 5.273 30 10 DKEE CCCCCCCCOCc1cc(C)cnc1Br 2085950216 KJQWAILROVDOFU-UHFFFAOYSA-N 314.267 5.030 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Cl)ccc1Cl 2123081074 SMECGIFHXAELPE-INIZCTEOSA-N 300.273 5.781 30 10 DKEE C=C(C)CC[C@H](COc1ccc(Cl)cc1Cl)NCCC 2152445526 KVYYPYPDKPKPPU-CQSZACIVSA-N 316.272 5.097 30 10 DKEE C=CC[C@H](C)[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164162026 MRSYDBZFDWRPQG-SJCJKPOMSA-N 305.874 5.541 30 10 DKEE C=CC1(CNc2c([N+](=O)[O-])ccc(Cl)c2Cl)CCCC1 2189499620 CIQVNCLARSZMAL-UHFFFAOYSA-N 315.200 5.060 30 10 DKEE C=CC[C@@H]1CCCCN1Cc1sc2ccccc2c1Cl 2195817208 JMUQCWPVQUXBDN-CYBMUJFWSA-N 305.874 5.485 30 10 DKEE Cc1cc(Cl)cc(Cl)c1N[C@@H](C)c1cccc(C#N)c1 2201072352 ITSXYLLIJCTYMF-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CCCCCCCCC[C@H](O)c1c(Cl)cncc1Cl 2207404810 PGGMVTDIHKGUJB-HNNXBMFYSA-N 316.272 5.729 30 10 DKEE C=CCCCCCCCCCSc1ccc(N)cc1Cl 2207404836 PPSAYRIMELSHKO-UHFFFAOYSA-N 311.922 6.321 30 10 DKEE CCCC#C[C@@H](NCCC)c1cc(-c2cccs2)cs1 2233783896 YAWPHHJVGIVXSH-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE Clc1cc(Cl)c(OCC#CC2CCCCC2)nc1Cl 2274113590 OPRIHWFIDWYCBC-UHFFFAOYSA-N 318.631 5.004 30 10 DKEE COc1c(C)cc(Cl)cc1C(=O)C=Cc1ccc(Cl)cc1 2295968033 VTLPEOGWCYQSHR-UHFFFAOYSA-N 321.203 5.207 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1csc(C)c1Br 2303639803 SPZRAHSNROEQRG-QMTHXVAHSA-N 316.308 5.072 30 10 DKEE CC(C)Oc1ccc2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2324726028 DXZVUJREZGVSIV-UHFFFAOYSA-N 322.404 5.213 30 10 DKEE C=CCC(CC=C)Sc1nc(C(C)(C)C)nc(Cl)c1C 2360314098 QGULKUOWDNECFA-UHFFFAOYSA-N 310.894 5.349 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1NCc1cc(-c2cccs2)cs1 2362211235 OEUSVXYBXVUFLZ-CJNGLKHVSA-N 303.496 5.311 30 10 DKEE CCCCCCCCCNCc1ccc(Cl)c(Cl)c1C 2364586958 MSDUHBGHNZVQAK-UHFFFAOYSA-N 316.316 6.142 30 10 DKEE C=CCOc1ccccc1CNc1cc(Cl)ccc1Cl 37188094 GQQKKQQBIYDBDT-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE Cc1ccc(C)c([C@H](C#N)Cc2ccc(Cl)c(Cl)c2)c1 57743374 QWCRWDLQWAOLOH-AWEZNQCLSA-N 304.220 5.460 30 10 DKEE Clc1cccc(Cl)c1/N=C1/N[C@H](c2ccccc2)CS1 88172151 HAFRWPADMSSKCX-ZDUSSCGKSA-N 323.248 5.059 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2cccc(CC)c2)cc1 103029122 PSBBXMILWWZFIZ-YPKPFQOOSA-N 323.436 5.236 30 10 DKEE CCCCCCCCCNc1c(Cl)cc(Cl)cc1Cl 104000497 KTELATHKOFCXEC-UHFFFAOYSA-N 322.707 6.809 30 10 DKEE CCCCCCCCC[C@H](O)Cc1c(Cl)cccc1Cl 109713686 AIUYZWSWJACTOR-AWEZNQCLSA-N 317.300 6.038 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1ccc(Cl)cc1 115862179 UMOBPYURJGYFPY-LJQANCHMSA-N 310.909 6.164 30 10 DKEE CCCCCCCC[C@H](NC)[C@@H]1CCCC[C@@H]1C(F)(F)F 140456390 XWVXQXVVVYGGBN-PMPSAXMXSA-N 307.444 5.694 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc(Cl)ccc1F 169278014 FHOAWNLMNGKKBF-GOSISDBHSA-N 313.888 6.270 30 10 DKEE CCc1ccc(/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1 210494154 YVFRTOCVSCAYKR-YFHOEESVSA-N 305.204 5.452 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(F)ccc1Br 232236660 SOSBFHRHNPUDOR-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE CCCCCCC[C@@](O)(CC)c1cccc(Br)c1 232940082 ZOMZSXHVRGRMSI-INIZCTEOSA-N 313.279 5.407 30 10 DKEE CCCCCCC[C@@H]1CCCC1=NOC(=O)c1cccs1 254771309 VYYBCAHILYIJAJ-CQSZACIVSA-N 307.459 5.422 30 10 DKEE CCCCCCCCCCCC(=NO)c1cccc(C)c1O 263622515 OEYAOSFXIMJUAN-UHFFFAOYSA-N 305.462 5.800 30 10 DKEE CC1(C)OB(/C=C\c2cc(-c3cccs3)cs2)OC1(C)C 396725913 YQCVSZYSBBIIPD-FPLPWBNLSA-N 318.272 5.121 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(Cl)sc1Cl 692278566 DGKXCANEUNVKBL-PWSUYJOCSA-N 304.286 5.279 30 10 DKEE Cc1c(Cl)cccc1Oc1cc(Br)cc(C#N)c1 702671386 SQGWXURJPROAEP-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cscc1Cl 711524855 WHUIXEZTVNJTSN-INIZCTEOSA-N 301.927 6.193 30 10 DKEE CCN(CC)c1ccc(C=Nc2cccc(Cl)c2C)cc1 1084154028 TZUYRAZFZDSWQQ-UHFFFAOYSA-N 300.833 5.245 30 10 DKEE CC(C)Cc1ccc(C#Cc2ccccc2C(F)(F)F)cc1 1614827173 NVYOLBGAJOWTKE-UHFFFAOYSA-N 302.339 5.304 30 10 DKEE C=C([C@H](O)c1ccc(-c2cccc(Cl)c2)s1)C(C)(C)C 1919684848 TYDUAKVEAFGMFU-INIZCTEOSA-N 306.858 5.704 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](N)c1cccc(Cl)c1Cl 1920353242 GBGSTVRCQNKWGY-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1snc(Cl)c1Cl 2053389552 JWDNQENNHBTZJP-CYBMUJFWSA-N 303.258 5.103 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1c(C)cccc1C 2070125924 ZBFPQACBBISJCG-QGZVFWFLSA-N 306.453 5.138 30 10 DKEE N#C[C@@]1(Cc2csc(Br)c2)CCCCC12CCC2 2084084349 MHYATCJWHKINCH-HNNXBMFYSA-N 324.287 5.307 30 10 DKEE CCCCCCCCC[C@@H](N)c1csc(C(F)(F)F)n1 2144135293 VHNHPRKGOXHJLN-LLVKDONJSA-N 308.413 5.302 30 10 DKEE C[C@H]1CCCC[C@@]1(C#N)Cc1csc(-c2cccs2)n1 2144694657 LVZLPELQJKQVAR-LRDDRELGSA-N 302.468 5.134 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H](O)c1sccc1Cl 2148583428 QMYDWPQABFQMBL-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H]1CCCC(F)(F)C1 2168893535 COCWONHUYIZOHU-CQSZACIVSA-N 307.494 5.013 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Cl)ccc1OC(F)F 2177042040 JTLPZOVKGSAQHH-UHFFFAOYSA-N 300.732 5.015 30 10 DKEE CCCCCCCN(C)[C@H](c1ccc(Cl)s1)[C@@H](N)CC 2196730461 WSBUGVRVUIRACL-BBRMVZONSA-N 316.942 5.082 30 10 DKEE N#C[C@@H](CNc1ccc(Cl)c(Cl)c1F)C1CCCCC1 2197910321 YGKVUUIYRLQZTB-NSHDSACASA-N 315.219 5.264 30 10 DKEE C#C[C@H](N[C@H](C)c1cccc(Cl)c1Cl)C1CCCCC1 2203796936 BDMDFNKOXQNBCN-WBMJQRKESA-N 310.268 5.226 30 10 DKEE CCCCC#CC[C@H](NCC)c1cscc1C(F)(F)F 2203809176 DDSDCRTUNPZUSB-AWEZNQCLSA-N 303.393 5.001 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@H](C)COCc1ccccc1 2246064328 UVCWSOZZIPKEQF-WOJBJXKFSA-N 319.533 5.711 30 10 DKEE C=C(C)C[C@@H](NCCC)c1sc(Br)c(C)c1C 2247220246 FRYQZCLUJOGVJQ-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=CCCCCCCCSCc1cc(Cl)nc(Cl)c1 2271597200 RRHTYWHWOHTSQE-UHFFFAOYSA-N 318.313 6.148 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Cl)c(OC)cc1Cl 2281539848 NQPZXORSTFHOCA-OAHLLOKOSA-N 316.272 5.528 30 10 DKEE C=CCCCS[C@@H]1CCCCCC(F)(F)[C@@H]1NCCC 2287062803 KBMCKBNHHXEUPC-HUUCEWRRSA-N 305.478 5.022 30 10 DKEE O=C(C=Cc1ccccc1)c1c2ccccc2cc2ccccc12 2297630538 VRBVYRUYQIRTOW-UHFFFAOYSA-N 308.380 5.889 30 10 DKEE C=CCC(CC=C)Nc1cc(Cl)c(C)cc1Br 2301008323 DHGAXIJIKJXCHO-UHFFFAOYSA-N 314.654 5.344 30 10 DKEE C#CCCCCCCNc1nc(Cl)c(Cl)cc1Cl 2316827077 NLHVAYKJUWDBJI-UHFFFAOYSA-N 305.636 5.037 30 10 DKEE CCCOc1ccc(C=CC(=O)c2ccc(F)cc2)cc1Cl 2324183361 XBRYFLGVHSLZFO-UHFFFAOYSA-N 318.775 5.164 30 10 DKEE CC(=CCC#Cc1ccc(Br)cc1)CCCC(C)C 2338529631 ITEAMFJLHJEYLU-UHFFFAOYSA-N 319.286 5.963 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2365819342 NZAHMLZOEDSUIY-CYBMUJFWSA-N 317.926 5.811 30 10 DKEE CSc1ccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)cc1 14551785 YPCHZHSFIHKDNY-SQGPQFPESA-N 318.445 5.107 30 10 DKEE Cc1cc(C)cc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)c1 37346261 IYRILMHQFUXACM-HNNXBMFYSA-N 318.203 5.100 30 10 DKEE COc1cc(C)c(Cl)cc1-c1cc(CC#N)c(C(C)C)o1 77079918 GEINRCSRKCZORQ-UHFFFAOYSA-N 303.789 5.107 30 10 DKEE CC(C)CC1(C(=O)[C@@H](C#N)c2ccccc2Cl)CCCC1 94902789 TYJRETXCKASYPP-HNNXBMFYSA-N 303.833 5.123 30 10 DKEE CCCCCCCCCOc1ccc(CC(=O)OC(C)C)cc1 106150148 PELIXNDKDVHVDJ-UHFFFAOYSA-N 320.473 5.310 30 10 DKEE CCc1ccc(C(=O)/C=C\Sc2ccc(F)cc2Cl)cc1 108831189 ZUSYKQSJQNWRLI-KTKRTIGZSA-N 320.816 5.530 30 10 DKEE CCCCCCCO[C@@H](CNC1CC1)c1ccccc1Cl 110067763 CEQHJEKSFGAABF-SFHVURJKSA-N 309.881 5.120 30 10 DKEE CCCCCCCCCCCCNc1cc(Cl)ccc1F 110163358 FENORZXQDXWDBA-UHFFFAOYSA-N 313.888 6.812 30 10 DKEE N#Cc1c(Cl)cccc1Nc1cc(C(F)(F)F)ccc1F 110258698 XZFDVMYQZBLAOX-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccc(C)c(Cl)c1 122666516 OLAKUHIZIANRMN-GOSISDBHSA-N 310.913 5.684 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1ccccc1Cl 122744314 QOUCLBGFNZVLQS-LJQANCHMSA-N 309.925 6.521 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1cccc(Cl)c1 127363220 DEEVPMSDQMHWAA-LJQANCHMSA-N 309.925 6.521 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc2ccccc2s1 159049963 MOLKPEYGWBNATD-KRWDZBQOSA-N 303.515 6.303 30 10 DKEE CCCCCCCCNc1nc(NCC)c(Cl)cc1Cl 226607989 VXSUMSBNKHBMNS-UHFFFAOYSA-N 318.292 5.593 30 10 DKEE CCCCCCCC(=O)c1cc(Br)c(Cl)s1 227712404 PVBRHFLQAITPOC-UHFFFAOYSA-N 323.683 5.707 30 10 DKEE Fc1ccc(C=Nc2cccc(-c3nc4ccccc4o3)c2)cc1 252612228 IQPJAPUSGNNBTR-UHFFFAOYSA-N 316.335 5.385 30 10 DKEE Cc1ccsc1C=Nc1ccc(N=Nc2ccccc2)cc1 257352427 LGRMKKWWHAFBEM-UHFFFAOYSA-N 305.406 6.223 30 10 DKEE CC[C@H](C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698422321 BSYXOWLKPKJACF-GOEBONIOSA-N 316.445 5.065 30 10 DKEE CCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698872842 HJBZCYRWKNAPSQ-GOSISDBHSA-N 308.466 5.029 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1cc2cscc2s1 703296778 WPPRNJONUUEBJZ-LBPRGKRZSA-N 304.827 5.293 30 10 DKEE CCCCCCCCCN1CCc2cccc(Br)c21 713347001 JHPAOEKSFIGTHX-UHFFFAOYSA-N 324.306 5.562 30 10 DKEE CSc1c(CC#N)cc2ccsc2c1SC(F)(F)F 725318671 VAVNQIBVFUNPKA-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE Cc1cc(N=Cc2ccccc2)c(N=Cc2ccccc2)cc1C 1088661220 DOTJQRNIVZTZOK-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE Cc1cc(C)c(C#N)c(NC2CCCCCCCCCCC2)n1 1859795101 BFCFPDFWGGMYLS-UHFFFAOYSA-N 313.489 5.655 30 10 DKEE CCCCCCCOc1cccc(NC(=O)C(CC)CC)c1 1860090145 LTXLNJCGYQKXGT-UHFFFAOYSA-N 305.462 5.411 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCC1=CCCCC1)NCC 1901675968 OFRYDTSMRMGOEC-NRFANRHFSA-N 313.485 5.018 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)c1cc(F)ccc1F 1917852469 NNKUDOVMXMORSC-HXUWFJFHSA-N 303.418 5.121 30 10 DKEE C=CCC[C@@H](C)Sc1cc(Cl)c(N)cc1Br 1975930207 BVMVRFXWEDWZBT-MRVPVSSYSA-N 320.683 5.132 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cc(Br)cs1 2026013636 AIONFOKXURGEIR-AWEZNQCLSA-N 317.292 5.245 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Cl)c(Cl)s1 2085855518 BMPIHGNSUMTFBH-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cccc(Br)c1 2142442256 UGQBDXLOBNYQIW-QGZVFWFLSA-N 324.306 5.756 30 10 DKEE CCCCCCCCCC[C@H](N)c1ncc(C(F)F)s1 2164491638 IEZWREZYKAQDGK-LBPRGKRZSA-N 304.450 5.611 30 10 DKEE CCCCC#CC[C@H](NCCC)c1ncc(Cl)cc1Cl 2203787940 SJMCOLPELSKZIQ-HNNXBMFYSA-N 313.272 5.013 30 10 DKEE C=CC1(C[C@@H](NC)c2ccc(-c3cccs3)s2)CCC1 2205875862 BHKLUBUMJPJDLD-CYBMUJFWSA-N 303.496 5.484 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(Cl)ccc1Cl 2207407678 FMGCRPJRCOSHHH-QGZVFWFLSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCCC[C@H](NC)[C@H]1SCCS[C@@H]1C 2207436277 MEYKSPZYUQWRBL-IKGGRYGDSA-N 315.592 5.118 30 10 DKEE C=C[C@H](CCCCC)OCc1cscc1Br 2212473663 PADRNFCAXCNJAO-GFCCVEGCSA-N 303.265 5.162 30 10 DKEE C=CCCCCCCCNCc1ccsc1Br 2214622501 KFYBXUYHLBSAFX-UHFFFAOYSA-N 316.308 5.127 30 10 DKEE N#Cc1ccc(Br)cc1SCCCCCC1CC1 2220022820 MHBADSFVGGYOOX-UHFFFAOYSA-N 324.287 5.383 30 10 DKEE CCCCCCCCCOc1nc(Cl)c(CNCC)s1 2239489457 IVOBSOMYLQGARI-UHFFFAOYSA-N 318.914 5.035 30 10 DKEE CC(C)c1cc(Br)cc([C@H](N)CC#CC(C)(C)C)c1 2265949368 BQASDLJHKJQAOZ-MRXNPFEDSA-N 322.290 5.012 30 10 DKEE Cc1cc(Cl)c(Cl)cc1NC[C@H](C#N)c1ccccc1 2281509507 YWQUJEQOMNQHPA-ZDUSSCGKSA-N 305.208 5.021 30 10 DKEE C=C1CC(C[C@@H](NCC)c2cc(Cl)c(OC)cc2Cl)C1 2281521663 AFZKDXNRUOROQN-OAHLLOKOSA-N 314.256 5.009 30 10 DKEE C=CCCCCCCCSc1nc(Cl)nc2[nH]ccc12 2287069074 PGWSJVXAKRVBML-UHFFFAOYSA-N 309.866 5.230 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1csc(C(F)F)n1 2287408562 JRUDFSLEDOKZQS-LBPRGKRZSA-N 302.434 5.258 30 10 DKEE Cc1cc(C(F)(F)F)sc1C(=O)C1=CCCCCCC1 2294987961 GJBIRQUVRTUJPM-UHFFFAOYSA-N 302.361 5.539 30 10 DKEE CCCCCCCCC[C@](C)(N)c1snc(OC)c1Cl 2295599749 VTFMMRDZGHYPMG-HNNXBMFYSA-N 318.914 5.120 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cccc(Cl)c1Br 2304026075 YDASINWRZACIOV-KGLIPLIRSA-N 316.670 5.095 30 10 DKEE CCOc1ccccc1C=CC(=O)c1cccc2ccccc12 2322714777 OJQHXIBCSBXWMJ-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE C=CCCCCCCCNCc1cc(Cl)cc(Cl)c1 2341225957 BBZSSNPJZLHVSE-UHFFFAOYSA-N 300.273 5.610 30 10 DKEE Cc1c(Cl)ccc([C@H](C)[C@@]2(C=O)CCCSC2)c1Cl 2353222778 QCVAEQWGGCPRDZ-XHDPSFHLSA-N 317.281 5.118 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2362241006 SMWFOHOULJTKAQ-KOLCDFICSA-N 315.200 5.058 30 10 DKEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2ccc(Cl)c(C)c21 2362299428 RDRYZGDTRZCGBY-FZMZJTMJSA-N 306.862 5.204 30 10 DKEE Cc1c([C@@H](N)CC#CC2CCCCC2)ccc(Cl)c1Cl 2364396891 HWPSIGFHHRPVFN-INIZCTEOSA-N 310.268 5.275 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 37936042 LLZCKNZJIKXXTH-CQSZACIVSA-N 310.706 5.036 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](n2nc(C)c(Cl)c2C)C1 50586664 IXDMBLSGRSIYCV-QLFBSQMISA-N 307.869 5.071 30 10 DKEE C[C@H](N[C@@H](CC#N)c1ccccc1)c1ccc(Cl)cc1Cl 55015427 ZZTWZZANYRZLNS-SJCJKPOMSA-N 319.235 5.299 30 10 DKEE N#CC[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 55022389 YFOKEXJMHZDUOJ-AWEZNQCLSA-N 308.233 5.740 30 10 DKEE CCCCCCCOc1ccc(CNc2ccccc2F)cc1 100030057 WHKBSWGBOAHEKN-UHFFFAOYSA-N 315.432 5.787 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(OCCCC)cc1 100048348 LCQGCCHCARTJGR-SFHVURJKSA-N 305.506 5.877 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccc(Br)c2)C1 110355057 QCHDAEOXCVBLLB-TYNCELHUSA-N 324.287 5.260 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc2cc(F)ccc2s1 139410806 FJPPGIOUSZEMHL-MRXNPFEDSA-N 307.478 6.181 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Br)ccc1C 168332744 LFXKIYSAMBLXAS-MRXNPFEDSA-N 313.279 5.542 30 10 DKEE Fc1cccc(Cl)c1OCC1(CS)CCCCCC1 213043581 GQCXHRDZAJFRME-UHFFFAOYSA-N 302.842 5.128 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(Cl)ccc2Cl)C1 222244488 UFVOZQSKPSWFKB-GYSYKLTISA-N 314.281 5.804 30 10 DKEE CC(C)CCCCCCNc1ccc(C#N)c(Br)c1 232541701 OQWYKFZFHKRUPM-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE CCCCCCCCC[C@@H](O)c1cnc(C(F)(F)F)s1 232952061 MFOZPYFEEDZWQQ-LLVKDONJSA-N 309.397 5.336 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@H](CC(=C)C)c1ccccc1 238094190 UMYQAGJDCUJWBX-QGZVFWFLSA-N 301.430 5.117 30 10 DKEE C=CCCCCCNCc1cccc(OCc2ccccc2)c1 309884652 KVYJBDOMPSSESE-UHFFFAOYSA-N 309.453 5.102 30 10 DKEE CCCCCCCCC[C@H](Cc1sccc1Cl)NC 387985888 INCYXWCWASLTSA-CQSZACIVSA-N 301.927 5.673 30 10 DKEE C[C@@](C#N)(CC1CCCCC1)Nc1ccc(Br)cc1 689716246 YYLDQWGVQVMDKG-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698854203 DFYHMFYYAVWYEE-HNNXBMFYSA-N 322.836 5.164 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@](C)(C#N)CC1CCCCC1 698856788 RFFDYXFYRAPMBB-IBGZPJMESA-N 322.493 5.132 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@](C)(C#N)CC1CCCCC1 698856790 RFFDYXFYRAPMBB-LJQANCHMSA-N 322.493 5.132 30 10 DKEE CCCCCCCCCCCC(=O)c1cscc1Cl 710396615 UCRSDIMNPVIWRY-UHFFFAOYSA-N 300.895 6.505 30 10 DKEE C=C1CCC(CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 724451705 PWWWAMICPPRPNJ-NSHDSACASA-N 316.247 5.530 30 10 DKEE C[C@H](CCS)CCSCc1ccc(Br)cc1 1902021695 NZDBVTAMUAITHW-LLVKDONJSA-N 319.333 5.028 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(OCc2ccccc2)c1 1903201408 NAGFSDXHWMPWER-NHCUHLMSSA-N 310.437 5.291 30 10 DKEE C#CCCCCCCC(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 1905109954 JVEKEHNKVMJSPA-IBGZPJMESA-N 313.485 5.034 30 10 DKEE CC(C)N(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 1935518855 CASXQTAUPAUNDS-VAMGGRTRSA-N 312.501 5.252 30 10 DKEE C[C@@H](N(Cc1ccccc1)[C@H](CC#N)c1ccccc1)C(C)(C)C 1946839115 JVGKAYDYMMLSSH-WIYYLYMNSA-N 320.480 5.578 30 10 DKEE C=CC[C@@H](C)Nc1cc(NC(=O)OC(C)(C)C)ccc1Cl 1955213672 JCMCVJWUAGDLRQ-LLVKDONJSA-N 310.825 5.064 30 10 DKEE O=C(C=C1CCCCC1)c1cccc(OCc2ccccc2)c1 1983530301 LALWSSYRJRTWBV-UHFFFAOYSA-N 306.405 5.339 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(CNCCC)cc1C 2013176956 HDCDHYAFYIIJOC-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE CCCCC#CC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2083390910 HPJWSZUSLBMZPU-GFCCVEGCSA-N 305.632 5.264 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H](O)c1cc(Cl)cs1 2148592219 RSFLIECVTIJAHC-GDBMZVCRSA-N 317.926 5.293 30 10 DKEE CC(F)(F)[C@@H]1CCCCN1CCCCCCCCCS 2160121583 JASSVEPMGWAPQJ-HNNXBMFYSA-N 307.494 5.157 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1ccc(SC)s1 2206902856 NJVIUWCULDWLBF-OAHLLOKOSA-N 311.560 6.037 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Br)ccc1C 2227292296 YVBQKCHNSSWQDJ-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE C=CCCCCCCCS[C@@H](c1ccsc1)[C@H](N)CC 2287096700 NXPRMFJMZWTAOF-SJORKVTESA-N 311.560 5.786 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@](C)(F)CC[C@H]1NC 2287190147 VDCUHDHSNUIDCZ-BRWVUGGUSA-N 301.515 5.115 30 10 DKEE CCCC(CS)(CCC)CN(CCC(C)C)CC(C)C 2294744741 MDQONQWPBLBTJZ-UHFFFAOYSA-N 301.584 5.507 30 10 DKEE C=C(CC)C[C@H](NCCC)c1csc(C)c1Br 2303641887 VQZIIJMCMROOFS-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC(C)(C)C1(C)CC(C#N)(c2ccc(Br)cc2F)C1 2352114980 CGMPTWLYJGSREG-UHFFFAOYSA-N 324.237 5.196 30 10 DKEE N#Cc1cnc2ccccc2c1Nc1cc(Cl)ccc1Cl 36913167 VBAUNKWHFXWXNS-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)c(Cl)c2)CCCc2ccccc21 87930089 RLWQKYGIPOYWFR-SFHVURJKSA-N 316.231 5.334 30 10 DKEE CCCc1c(-c2ccc(Cl)c(Cl)c2)sc(C#N)c1N 93074522 UGZBJWOHXSISLX-UHFFFAOYSA-N 311.237 5.128 30 10 DKEE CCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1cccc(CC)c1 100964060 CCZINWJAVMHNRR-HKUYNNGSSA-N 301.474 5.574 30 10 DKEE C[C@H](N[C@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)s1 135063978 RHHTVJVQHDWQPN-YVEFUNNKSA-N 316.445 5.197 30 10 DKEE CCCCCCCCC[C@H](O)[C@H]1CCCC[C@@H]1C(F)(F)F 135351110 NIKSELZUQOROCX-JYJNAYRXSA-N 308.428 5.857 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc2cc(F)ccc2s1 139666070 HCIQOSBNUDHQFS-MRXNPFEDSA-N 307.478 6.052 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)CC1 166297120 MZZJFFJLLOYYKH-MNQCNDSGSA-N 305.487 5.189 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2cccs2)C(C)C)C1 222798331 SUGACOSGUKFIRI-RYRKJORJSA-N 304.503 5.067 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)ccc1Br 232945716 XCTXIPNZMZNRNJ-CQSZACIVSA-N 318.686 5.463 30 10 DKEE C[C@@H](Nc1ccc(CC#N)cc1)c1cc(Cl)sc1Cl 235212160 BBEAPOHUMCLWFX-SECBINFHSA-N 311.237 5.294 30 10 DKEE Cc1ccc(Br)cc1CC1(C#N)CCC(C)(C)CC1 314280950 XARWDLUVQSAVGC-UHFFFAOYSA-N 320.274 5.410 30 10 DKEE C#C[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 378706477 ILXXSKHMDJFJMO-AWEZNQCLSA-N 310.611 5.433 30 10 DKEE C=CCCCCC[C@H](NCCC)c1occc1Br 696450604 AAZHUSZJIVMHAN-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1ccccc1Br 703956094 XWYBQRBSZWUYNI-CYBMUJFWSA-N 310.279 5.092 30 10 DKEE CCCCCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2 1865873926 KYMGSQZCWOOPAD-UHFFFAOYSA-N 305.506 5.070 30 10 DKEE CCCCCCCCC(=O)Nc1nc2c(C)cccc2s1 1866090346 DWLGCYQZVQDBEL-UHFFFAOYSA-N 304.459 5.294 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Cl 1874615838 BJQAUIVBAXAVJY-UXBLZVDNSA-N 314.812 5.333 30 10 DKEE C#CC[C@H](C)C[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 1887462793 BREOPUFMVHVDIB-GXFFZTMASA-N 318.675 5.347 30 10 DKEE C=CC[C@@H](C)OC[C@H](NCCC)c1c(Cl)cccc1Cl 1913348977 LKSZFEGVCWPCQG-DOMZBBRYSA-N 316.272 5.015 30 10 DKEE CCCCCCCC[C@]1(N)C[C@H](CC)N(Cc2ccccc2)C1 1920208565 UVNLUPZVTUACQE-SFTDATJTSA-N 316.533 5.119 30 10 DKEE C=C([C@H](NCCC)c1cc(F)c(Cl)cc1F)[Si](C)(C)C 1922872526 GCPCRDGJYZTOFX-HNNXBMFYSA-N 317.883 5.093 30 10 DKEE N#Cc1cc(Cl)ccc1N(Cc1ccccc1)CC1CCC1 1932003043 DVYVSGSCNNITRT-UHFFFAOYSA-N 310.828 5.018 30 10 DKEE CC(C)(C)N(Cc1ccccc1)C[C@H](CS)c1ccccc1 1932005058 IACXCQABRQMQCP-LJQANCHMSA-N 313.510 5.001 30 10 DKEE C=C1CCC(CNc2ccc(Br)c(C)c2C)CC1 2037363202 QZDAVHSPEJNLQC-UHFFFAOYSA-N 308.263 5.224 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccc(C(C)C)cc1 2070132119 SVHXIPLKEXQXBT-QGZVFWFLSA-N 320.480 5.645 30 10 DKEE C=CCCC[C@H](C)n1c(S)nc2ccc(Cl)c(Cl)c21 2103437322 CAJZPYPWLJJBQM-VIFPVBQESA-N 315.269 5.549 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc(Cl)ns1 2110891496 OTINZGFDMIWAFS-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cc(Cl)ccc1Cl 2141915388 AXWLEHOBXMFUCQ-INIZCTEOSA-N 301.257 5.728 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cc(Cl)ccc2Cl)CC1 2157104269 FEMWDVZIAHYELH-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE CCC1(OCc2cc(Cl)ccc2Cl)CCC(=NO)CC1 2161473858 UGLQXZCKGBJIBO-UHFFFAOYSA-N 316.228 5.063 30 10 DKEE CCCC#CC[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2203793589 WMIWZUHYGSERTE-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 2203958752 WEDJKLMUOBRFBW-CQSZACIVSA-N 324.594 5.137 30 10 DKEE C=CCCCCCCCC(=O)c1nc(Br)cs1 2214622170 IRFZEPWQTJJXPY-UHFFFAOYSA-N 316.264 5.005 30 10 DKEE C[C@@H](CCS)CCSc1nc(-c2ccccc2)cs1 2225897596 PKJMYKBTCAGALR-LBPRGKRZSA-N 309.525 5.248 30 10 DKEE C[C@@H](Nc1ccc(CC#N)cc1)c1cc(Cl)cc(Cl)c1 2237995314 CQLJVNMRUGUXPD-LLVKDONJSA-N 305.208 5.233 30 10 DKEE C=CCCCSc1ccc(F)c(Cl)c1CNCCC 2271585511 JACBVAYCYAJRRO-UHFFFAOYSA-N 301.858 5.037 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(F)c(Cl)c(F)c1 2370522719 SHGKZZINWMUITR-HZPDHXFCSA-N 301.808 5.261 30 10 DKEE Cc1cc(O)c(/C=N/c2cccc3ccccc23)c(C)c1Cl 226446 MUHXCWGARHNCNY-SRZZPIQSSA-N 309.796 5.566 30 10 DKEE CC(=O)c1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1 3024759 YSWOOYSTRIYHND-BUVRLJJBSA-N 323.395 5.946 30 10 DKEE CCCCCCCCO[C@@H](C)C(=O)c1ccc(Cl)s1 59526214 FXJFDXNUWUJYHM-LBPRGKRZSA-N 302.867 5.350 30 10 DKEE CCCCCCCC(=O)Nc1ccc(OCCCCCC)cc1 100168787 ZSLKBDUNKBABHR-UHFFFAOYSA-N 319.489 5.945 30 10 DKEE CCCCCCCCCCNc1cccc(Br)c1 110158631 HSKMYVBTHVXQBO-UHFFFAOYSA-N 312.295 6.002 30 10 DKEE N#Cc1ccc(Sc2cc(Cl)ccc2Cl)c(Cl)c1 110353997 HOPZZPLFFVIJSM-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE Cc1cc(Nc2cc(Cl)ccc2Br)ccc1C#N 133481553 JNGZJTWXUHOYRX-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(Oc2ccc(Cl)cc2Br)ccc1C#N 133499163 JAIFYUGTICAHGX-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCc1ccc(/N=C/c2ccc(OC)cc2)cc1 143069750 VBWQNDOKQBUPCF-OQKWZONESA-N 309.453 5.959 30 10 DKEE CCCCCCCCC[C@H](O)Cc1cccc(F)c1Cl 157745280 LETBXENOIFAWDO-HNNXBMFYSA-N 300.845 5.523 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(C(C)(C)C)s1 165563269 VSVQUKFUVVMQFX-MRXNPFEDSA-N 309.563 6.447 30 10 DKEE CCCCCCCC[Si](C)(C)C(=O)c1ccccc1Cl 195816491 KWPYRHQMKSJVBU-UHFFFAOYSA-N 310.941 6.131 30 10 DKEE CCCCCCCCN[C@@H](C)c1cc(Br)cs1 229855059 YXHAZSJQXKDTPX-LBPRGKRZSA-N 318.324 5.522 30 10 DKEE C=CCCCCCCN[C@H]1CCc2c(Br)cccc21 312097622 FXNGJAIRVRNYOT-KRWDZBQOSA-N 322.290 5.163 30 10 DKEE C#C[C@@H](Nc1cccc(OCc2ccccc2)c1)c1ccccc1 328421444 RUVGMWOGXHJMHT-JOCHJYFZSA-N 313.400 5.052 30 10 DKEE C=CC[C@H](CC)N[C@H](c1cccs1)c1ccc(Cl)s1 393788151 WVDAQFZUXLITGI-XHDPSFHLSA-N 311.903 5.497 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@H]1C(C)C 698377372 NJOFYESUGDCTGR-FCEWJHQRSA-N 322.493 5.131 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)CC(C)(C)C 710781670 CQAJBFCSWZFECR-OAHLLOKOSA-N 316.445 5.065 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)c2ccccc2Br)C1 719359337 BTIMPBXVSLTBKM-UKTARXLSSA-N 306.247 5.129 30 10 DKEE N#CCc1c(SC(F)(F)F)sc2ccc(Cl)cc12 725286363 RFTMQZPKDZRTDH-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE CCSc1ccc(/C(CC)=N/OCc2ccccc2F)cc1 821226604 GQSBCEBUMBKWMY-CZIZESTLSA-N 317.429 5.269 30 10 DKEE N#Cc1cc(Cl)cc(-c2c(Cl)cc(Cl)cc2Cl)c1 1848372990 VBYLYCYTIZAWNE-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1cccc(OCc2ccccc2)c1 1903142679 GGOBHYWQLOCVJE-HXUWFJFHSA-N 309.453 5.128 30 10 DKEE CCCCCCC[C@]1(O)CC(C)(C)[C@H]1OCc1ccccc1 1934904787 STKWSSAJUKLCAH-QUCCMNQESA-N 304.474 5.093 30 10 DKEE C#CCN(Cc1ccccc1)C(=O)CCCCCCCCCC 1978679403 VZCOHDMRUIMJBV-UHFFFAOYSA-N 313.485 5.179 30 10 DKEE C=CCCCCC(=O)c1ccc(Br)c(Cl)c1 1984522457 UOAXTDIOQAFBES-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)[C@@H](C)CO 1995325326 JEJDABLFTUMUNS-FQEVSTJZSA-N 317.517 5.176 30 10 DKEE CCCCCCCCOCc1nc(Br)sc1C 2004954388 GNYXOGDTKVMFJM-UHFFFAOYSA-N 320.296 5.091 30 10 DKEE C=C(CO[C@@](C)(CC)CCC=C(C)C)B1OC(C)(C)C(C)(C)O1 2021158742 HVEOXLHLCUPDBJ-IBGZPJMESA-N 322.298 5.106 30 10 DKEE CCCCC#CC[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 2024374594 ZXLUYJSXPSJDCX-JOCHJYFZSA-N 321.464 5.023 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(Cl)c(Cl)s1 2037455474 JBCKMPWDLLCIGH-ZWNOBZJWSA-N 304.286 5.279 30 10 DKEE C=CCC[C@H](C)Nc1cc(Br)ccc1C(F)(F)F 2048238008 KGFMUXMJFMAYHS-VIFPVBQESA-N 322.168 5.235 30 10 DKEE C=C(CC)CC[C@H](NCCC)c1ccccc1Br 2050515865 RAFRAKXPEIHQQO-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccc(SC)cc1 2070131038 KTXIIZNSKFNCCY-OAHLLOKOSA-N 324.493 5.243 30 10 DKEE CC(C)c1nn([C@H](C)c2ccc(C3CC3)cc2)c(Cl)c1C#N 2079005047 FWDGVOUUEMYZSY-GFCCVEGCSA-N 313.832 5.018 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccccc1Br 2142442873 AEIPKGWPLUIEAE-QGZVFWFLSA-N 324.306 5.756 30 10 DKEE CCCCCCC[C@@H](O)[C@H](NCCC)c1cscc1Cl 2148347389 ULKCWRUVHWVUCI-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCOc1ncc(F)cc1Br 2223229322 QZIAXOHIEVZBLY-UHFFFAOYSA-N 318.230 5.113 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1 2227284430 BLRFVLDFCBEOCL-INIZCTEOSA-N 300.273 5.910 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1ccc(Br)cc1CC 2229191860 FEUTYUYSKXMZPT-GUYCJALGSA-N 324.306 5.264 30 10 DKEE CCCCCCCCCCOCc1nccc(Cl)c1F 2239487661 SDJLWTCKRCQGQY-UHFFFAOYSA-N 301.833 5.531 30 10 DKEE C=CCCCCC[C@H](OCCN)c1cc(Cl)sc1Cl 2276998400 UJZRZPRDFQBUIO-LBPRGKRZSA-N 322.301 5.208 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2293034604 ABBANFLTRRYSBR-UHFFFAOYSA-N 322.791 5.805 30 10 DKEE Cc1ccc(C(=O)C=CNc2cc(Cl)cc(Cl)c2)cc1 2297331641 XQUDUBCPDOOWCC-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE N#CC1(CSCc2cccc(Br)c2)CCCCC1 2318732525 PMNXYZDGEFAPFG-UHFFFAOYSA-N 324.287 5.156 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(Br)ccc1C 2344344076 GXQXVLOJZASOAG-IRXDYDNUSA-N 324.306 5.401 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2364537665 NDDFFLROODAPKM-INIZCTEOSA-N 314.300 6.089 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(F)c(Cl)cc1Cl 2377266968 BDRSXYTWINWLOA-INIZCTEOSA-N 318.263 6.049 30 10 DKEE Cc1cc2nc(CCC3CCCCC3)n(C[C@@H](C)C#N)c2cc1C 57802103 GRAPKJMZPHYXHK-HNNXBMFYSA-N 323.484 5.326 30 10 DKEE CCCCn1c(Cl)c(C#N)c2c(Cl)cc(Cl)cc21 71466323 RLGMFWCDLOUDRJ-UHFFFAOYSA-N 301.604 5.273 30 10 DKEE CCOc1cc(C)c(C(=O)/C=C/c2cccs2)cc1C(C)C 83193365 XNEOVNOIBBIGGW-CMDGGOBGSA-N 314.450 5.475 30 10 DKEE Cc1ccc2ccccc2c1C(=O)/C=C/c1ccc(Cl)cc1 83204353 XDSHJKMWDLYJQA-UKTHLTGXSA-N 306.792 5.698 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2ccc(Cl)cc2Cl)C1 91880734 VNMIBUGUAUQEGN-HFBAOOFYSA-N 312.240 5.137 30 10 DKEE CCCCCCCOc1ccc(CN[C@H]2CCC[C@@H](C)C2)cc1 100131411 IUHRFQSCOITEIH-QUCCMNQESA-N 317.517 5.704 30 10 DKEE CCCCCCCCCN1CCCc2cc(C(C)=O)ccc21 107017433 BKTWPWKVIGBCQH-UHFFFAOYSA-N 301.474 5.392 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccc(Br)cc1 109712423 UHNWUFYUTZRAKD-INIZCTEOSA-N 313.279 5.103 30 10 DKEE CCCCCCCCOc1ccc(C[C@@H](N)CC)cc1Cl 109765459 DMHNPADRKCESKL-INIZCTEOSA-N 311.897 5.359 30 10 DKEE CCCCCCCCCCCCC(=O)CSC1CCCC1 115646525 LPLYXROIMDGDQL-UHFFFAOYSA-N 312.563 6.542 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc2c(s1)CCCC2 122191223 CQFQOPNOWXLAGI-INIZCTEOSA-N 308.535 5.272 30 10 DKEE CCCCCCCCCCCC[C@H](CCC(F)(F)F)NC 122547430 ISCMGRKOOMVCFD-MRXNPFEDSA-N 309.460 6.228 30 10 DKEE CCCCCCCCc1nc2c(C)cc(Br)cc2[nH]1 129692798 JGPGVWKWLMLIOM-UHFFFAOYSA-N 323.278 5.537 30 10 DKEE CCCCCCCCC[C@H](O)c1cc2cc(F)ccc2s1 135352249 LGSOLILIUJTQHA-INIZCTEOSA-N 308.462 6.215 30 10 DKEE COc1cc(CSc2cc(Cl)ccc2Cl)ccc1C#N 234968478 GEVXPLIYULYOOM-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(Br)cc1Cl 236537607 LRLWZHRHCCOFTQ-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE C=CC[C@@H](CC)N[C@H](C)c1ccc(OCc2ccccc2)cc1 393774518 DFXKODOYYXVCBN-YLJYHZDGSA-N 309.453 5.271 30 10 DKEE N#C[C@@H](CSc1cc(Cl)ccc1Cl)C1CCCCC1 397124686 LGRZPOKGVSNPKB-LBPRGKRZSA-N 314.281 5.806 30 10 DKEE N#Cc1cc(-c2c(Cl)ccc(Cl)c2Cl)ccc1Cl 514260981 IWMSOVSYKGWHFN-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1 1990797346 QEQYIFOXMJTPGM-UHFFFAOYSA-N 307.481 5.562 30 10 DKEE C=C1CC(C[C@H](NCC)c2cccc(OCc3ccccc3)c2)C1 2011090796 KEHLNILWRVNNET-QFIPXVFZSA-N 321.464 5.273 30 10 DKEE CCC(C)(C)c1c(C#N)oc2c(Br)cc(C)cc12 2082436697 RKSROCNBVGJCHD-UHFFFAOYSA-N 306.203 5.063 30 10 DKEE C=CCCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2141912236 XAMJRZWQLUILBC-ZDUSSCGKSA-N 320.691 6.173 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H](NC)c1ccsc1Cl 2147450176 LBMBPFLUXFUJGC-CABCVRRESA-N 317.926 5.164 30 10 DKEE N#C[C@H](Sc1ccccc1Cl)[C@@H]1CCC2(CCCC2)C1 2155222543 IIRGRBIPFMLZQT-CJNGLKHVSA-N 305.874 5.685 30 10 DKEE C=C([C@H](NCCC)c1ccc(F)c(Cl)c1F)C(C)(C)C 2164217592 KOHCYOQBMGTAQJ-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE C#CC(C)(C)C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2167608207 LSTAUCDLWMXVJQ-CQSZACIVSA-N 304.842 5.151 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 2179252821 BYTMVEBEDQMTAQ-CQSZACIVSA-N 306.755 5.529 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(SC(F)(F)F)cc1 2179683458 UKUURGUNCQPWSI-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE N#CCN(Cc1cc(Cl)cc(Cl)c1)C1CCCCCC1 2197964524 FCFPTIAWNSSEHD-UHFFFAOYSA-N 311.256 5.042 30 10 DKEE SCC1(CSC23CC4CC(CC(C4)C2)C3)CCCCC1 2238178318 JBSKQAQLVXUKGR-UHFFFAOYSA-N 310.572 5.569 30 10 DKEE CC(C)(C)C#CC=CCn1ccc2ccc(Br)cc21 2268758301 GQMKAOPMIMIGBW-UHFFFAOYSA-N 316.242 5.010 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1cc(Cl)cs1 2276141048 LPHTWPAQAFTSNV-CQSZACIVSA-N 303.899 5.169 30 10 DKEE C=CCCCCCCCCC1(O)CCP(=O)(CC)CC1 2283610513 HXABSYLSOZPXCZ-UHFFFAOYSA-N 300.423 5.201 30 10 DKEE CN[C@H](C#CC1CCCCC1)c1cc(Cl)c(Cl)cc1C 2289781523 LRGRXFZRPSKDAH-QGZVFWFLSA-N 310.268 5.146 30 10 DKEE CCCCCCCCCC[C@](C)(CSCC)OCCN 2294564564 ZZSQJECQCWSNLH-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE N#C[C@H]1CCCCC[C@H]1SCc1cccc(Br)c1 2318732891 VXTMEZVIRXJNPY-UKRRQHHQSA-N 324.287 5.155 30 10 DKEE Cc1c(C[C@@]2(C#N)CCS[C@H](C)C2)ccc(Cl)c1Cl 2338664002 BUMXFNMSWGXCDX-MEBBXXQBSA-N 314.281 5.270 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2344337285 PHQPKWHGUUYXMU-ZUZCIYMTSA-N 320.691 5.900 30 10 DKEE C=CC[C@@H]1CCC[C@H]1Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2362241007 SMWFOHOULJTKAQ-MWLCHTKSSA-N 315.200 5.058 30 10 DKEE Cc1ccc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c(C)c1 37344072 WZEAZBQCGXJEFB-ZDUSSCGKSA-N 318.203 5.100 30 10 DKEE CCc1sc(-c2cc(Cl)c(C)cc2OC)cc1CC#N 77097640 GFFXZGVMPOBPFW-UHFFFAOYSA-N 305.830 5.014 30 10 DKEE SCC1(CSc2cc(Cl)ccc2Cl)CCCC1 94588778 ROCYGHCBDWNOLX-UHFFFAOYSA-N 307.311 5.576 30 10 DKEE CCCCCCCCCCCCCCCC(=O)OC[C@@H](C)O 100306014 FAQKRSYDADCZGK-GOSISDBHSA-N 314.510 5.392 30 10 DKEE CCCCCCCN1CC(CC)(CC)Oc2cc(O)ccc21 104678388 YVIAUXMWCOIVQB-UHFFFAOYSA-N 305.462 5.120 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(Cl)cc1 109901180 SMUMKBIYQVYEPY-ZDUSSCGKSA-N 303.858 5.791 30 10 DKEE CCCCCCCCCCCCSc1ccc(C(=O)O)o1 111936205 WJONIBUEHPHFCR-UHFFFAOYSA-N 312.475 5.991 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccc(CC)s1 115653199 RXASHNKSRLAMBZ-SFHVURJKSA-N 310.547 6.655 30 10 DKEE CCCCCCCC[C@H](NCCC)c1snnc1CCC 140374101 OUAYNFUUKGEVNQ-HNNXBMFYSA-N 311.539 5.282 30 10 DKEE CCCCCCC[C@@H](N)c1c(F)cc(Br)cc1F 158209838 TVXCNILMFPVDOE-CYBMUJFWSA-N 320.221 5.088 30 10 DKEE CCCCCCC[C@@H](O)c1c(F)cc(Br)cc1F 168209653 RVTFPOZDAGIPQJ-CYBMUJFWSA-N 321.205 5.121 30 10 DKEE CCCCCCCCC(=O)c1ccc(OC)c(Cl)c1OC 224612586 TVWPETUPDHUNBB-UHFFFAOYSA-N 312.837 5.291 30 10 DKEE Cc1cc(C)c(C)c(Oc2ccc(C#N)c(Br)c2)c1 228200706 JYNKCUCNFNHFKF-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 307266293 ZWJNTDQUVBEIND-COPCDDAFSA-N 318.464 5.017 30 10 DKEE CCCCCCCCC[C@H](N)Cc1coc(Br)c1 378961540 XMPYTABGSNHLJL-AWEZNQCLSA-N 316.283 5.053 30 10 DKEE CCCCCCCC[C@H](Cc1sccc1Cl)NCCC 380138216 OYRFERYSCKCECG-OAHLLOKOSA-N 315.954 6.063 30 10 DKEE N#Cc1cccc(Br)c1Nc1cccc(C(F)F)c1 1174621950 UDYCGCYFWSRMOV-UHFFFAOYSA-N 323.140 5.002 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Cl)sc1Cl 1919912320 IQYWDTKNVJGXPR-AWEZNQCLSA-N 309.302 6.013 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)C1CCCCCC1 1922112222 SEDNSFCIOVGWCW-NRFANRHFSA-N 315.501 5.098 30 10 DKEE Cc1cc(CN(Cc2ccccc2)CC2CCCC2)ccc1C#N 1947917168 SFZSAKDJNDVRCA-UHFFFAOYSA-N 318.464 5.059 30 10 DKEE C=CCC[C@H](C)C[C@@H](NCC)c1ccccc1Br 2050510476 KITSAJOKBJDZAU-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(Br)ccc1F 2085917385 OWLHSSTXJPMYTI-OAHLLOKOSA-N 315.226 5.148 30 10 DKEE CCC[C@]1(C)CSC(=Nc2cc(Cl)c(C)cc2Cl)N1 2090412921 YKRVAXYEHGTMRA-CQSZACIVSA-N 317.285 5.185 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1cccc(Cl)c1Cl 2108212852 GGDRRINESWZCQE-HUUCEWRRSA-N 300.229 5.137 30 10 DKEE C=CC1(C[C@@](C)(N)c2cc(F)c(Cl)cc2Cl)CCC1 2111722827 QDYZVOVCSWHDFA-CQSZACIVSA-N 302.220 5.053 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)cc2Cl)CCCC(F)(F)C1 2128425119 UMRIWNNPCYQNRN-CYBMUJFWSA-N 304.167 5.255 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1cc(Cl)ccc1Cl)C1CC1 2196838237 XLLPQEXKEHBDPU-CXAGYDPISA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCC[C@@]1(N)CS[C@@H](C(F)(F)F)C1 2207434884 FCNYPIMNZYKWHD-KGLIPLIRSA-N 309.441 5.059 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](C(C)(C)C)C1 2212097170 IVGBUISQUYVUNI-HNAYVOBHSA-N 322.493 5.132 30 10 DKEE C=CCC[C@H](NCCC)c1sc(C)c(Br)c1C 2213726562 ZJCJUJMLPNHFQC-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCCCCCCCn1ccc2ccc(Br)cc21 2227285026 SXLUPJPYRKUVDH-UHFFFAOYSA-N 320.274 5.930 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)c(F)cc1F 2235512449 DEILDVOLFOGWFN-INIZCTEOSA-N 301.808 5.535 30 10 DKEE C=C(C)CCCCNc1cc(C)cc(Br)c1F 2250161193 KRLFSUFXOSQZMX-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE CCCCCCSc1cc(Br)c(C#N)cc1F 2253000281 CDULRINMZMSQDR-UHFFFAOYSA-N 316.239 5.132 30 10 DKEE CC(C)(C)C#CC=CCC(=O)c1scc(Cl)c1Cl 2256714027 ONKHNWXODYHISU-UHFFFAOYSA-N 301.238 5.233 30 10 DKEE Cc1cc(Br)ccc1S[C@@H]1C[C@H](C)CC[C@H]1C#N 2257002500 WUZZPAHHUJTQNT-IFUGULHKSA-N 324.287 5.178 30 10 DKEE C=CCCCCCCCSc1nc(Cl)nc(Cl)c1F 2271487563 ISJFEWVCYIVQJK-UHFFFAOYSA-N 323.264 5.541 30 10 DKEE C=C(C)CCCC[C@H](Cc1ccc(Br)cc1)NCC 2271790296 DYWMVEYUCBVXRJ-QGZVFWFLSA-N 324.306 5.106 30 10 DKEE C#CC[C@@H](C[C@H](NC)c1cc(Cl)c(Cl)cc1C)C1CC1 2286479013 PITYZWHVSCAVTF-GUYCJALGSA-N 310.268 5.002 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cnc(C(C)(F)F)s1 2289280179 CBLUMNABGABUHN-GFCCVEGCSA-N 302.434 5.042 30 10 DKEE CN(CCCCCCCS)C[C@]1(C)CCCCC1(F)F 2294769336 YZBQPRRRMYPENS-HNNXBMFYSA-N 307.494 5.014 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc(Cl)sc1Cl 2316748806 DMTFJLGHCXOWHK-CYBMUJFWSA-N 304.286 5.474 30 10 DKEE CCOc1ccc2ccccc2c1C=CC(=O)c1ccc(C)cc1 2322591641 WRJFVQGLPYLMNY-UHFFFAOYSA-N 316.400 5.443 30 10 DKEE CCCCCOc1ccc2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324262336 VEIRFTXKCRZRFO-UHFFFAOYSA-N 322.404 5.180 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2ccc(Cl)c(Cl)c2C)C1 2364415951 VYQBGBYKYJJRFX-MRXNPFEDSA-N 312.284 5.699 30 10 DKEE CCCCCCCC[C@@](C)(OCCN)C1(Cl)CCCC1 2366344745 DRVKYSBFRYWSAT-MRXNPFEDSA-N 303.918 5.023 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2370517364 AYHFPJAAXDGBKN-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=CC[C@@H]1CCCCN(Cc2cc(F)c(Cl)cc2Cl)C1 2377405711 QAWJILKVNXZOPX-GFCCVEGCSA-N 316.247 5.311 30 10 DKEE O=[N+]([O-])c1ccccc1/N=C/c1cccc(-c2cccs2)c1 8515238 IZABJCUZZRPWDK-LDADJPATSA-N 308.362 5.074 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccc(C)s1)[C@@H]1CC=C[C@H]21 14456731 AZXFEKFCTPYYHC-AKCHCHLHSA-N 323.461 5.448 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 14465885 APCUYBLPUZMKNZ-CKFHNAJUSA-N 306.796 5.038 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2Br)C1 37156606 IIUREIYRVMPGLC-LALPHHSUSA-N 324.287 5.260 30 10 DKEE N#Cc1cc(Oc2cccc(Cl)c2Cl)nc2ccccc12 68796588 BBZYWBZQTWPSNH-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE Cc1cc(Cl)cc(C)c1OCC1(CS)CCCCCC1 94583460 KOUMIKYAMWBBNZ-UHFFFAOYSA-N 312.906 5.606 30 10 DKEE CCCCCCCCC[C@H](N)c1ccccc1C(F)(F)F 157786569 BYEMXPUCWYIEKV-INIZCTEOSA-N 301.396 5.846 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1sccc1OC 162513692 NDXQAOHXZOBCPK-MRXNPFEDSA-N 311.535 6.068 30 10 DKEE CC[C@H]1CCC[C@@H](Nc2ccc(C#N)c(Br)c2)CC1 311945514 GZTAYUMBBLWGAZ-GXTWGEPZSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@H](N)c1cccc(Cl)c1C(F)(F)F 382367087 YEFOMEHXSONSAE-ZDUSSCGKSA-N 307.787 5.719 30 10 DKEE CCCCCCCC[C@@H](Cc1csc(Cl)c1)NCC 393574924 OTIDLCSELVRDMG-HNNXBMFYSA-N 301.927 5.673 30 10 DKEE C=CCCC[C@@H](NCC)c1ccccc1NC(=O)OC(C)(C)C 406784978 BBRWUNDLMFLFGB-MRXNPFEDSA-N 318.461 5.041 30 10 DKEE Cc1c(Cl)cc(N[C@H](C)c2cccc(C#N)c2)cc1Cl 690302337 TXNNHVVNLXZJKA-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCC[C@H](O)c1cnc(Cl)n1C 696523582 MKGCREJCGSAMCD-HNNXBMFYSA-N 300.874 5.028 30 10 DKEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698424340 KMKPPXZJPHTALF-IBGZPJMESA-N 316.445 5.209 30 10 DKEE C#C[C@@H](N[C@H](c1cccs1)c1ccc(Cl)s1)C(C)(C)C 702282767 QGLJMGQVHRGTMY-UKRRQHHQSA-N 323.914 5.190 30 10 DKEE C=C1CCC(C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CC1 724571526 RPKDVGSJTZOSRG-JOCHJYFZSA-N 322.448 5.436 30 10 DKEE CC/C(=N\OCc1cccc2ccccc12)c1ccc(F)cc1 821218870 CXBLAHJGAHQZON-LSDHQDQOSA-N 307.368 5.310 30 10 DKEE Fc1c(-c2c(F)c(F)c(F)c(F)c2F)cccc1C(F)F 1848358763 AFRGOSWLISSXBE-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CCCCCCCCCCCC(=O)N1c2ccccc2C[C@@H]1C 1866332519 ZBUAFAIKFZCWCB-SFHVURJKSA-N 315.501 5.885 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)C[C@@](C)(CS)C(C)(C)C 1893644897 TXERPUUFVCXNRP-LPHOPBHVSA-N 307.547 5.269 30 10 DKEE C=CCCN(Cc1ccccc1)c1cc(Cl)nc2ccccc12 1903149805 PQCBNIQUMASOFV-UHFFFAOYSA-N 322.839 5.471 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)CC1(CS)CC1 1915087055 QHHQSQWNELTZHO-OAHLLOKOSA-N 317.523 5.021 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C[C@@H](O)CC 1915093269 SMXRAPFUUDQOGD-FQEVSTJZSA-N 305.506 5.010 30 10 DKEE CCCCCCC[C@](C)(O)C(=O)c1ccc(Cl)c(Cl)c1 1919407188 IMONSHOVBCSVFJ-INIZCTEOSA-N 317.256 5.288 30 10 DKEE C=CCC[C@@H](NCCC)c1c(Br)sc(C)c1C 1951107051 DNEBZZBMYLMUNY-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CC(C)=CC(=O)c1ccc(-c2cccc(Br)c2)s1 2045682035 HKUDUMKZOKCUET-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE CCc1cc(OC(F)(F)F)c(C(F)F)c(C(F)(F)F)c1 2060350513 CFCLZAIWGNBVQH-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cccc(Cl)c1Cl 2102106432 MTRKSDNCQXJVAS-WBMJQRKESA-N 300.273 5.636 30 10 DKEE CC1(C)CCCC[C@@]1(C)Nc1cccc(Br)c1C#N 2103595300 QXVBUOOIOILAHZ-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCCC(=O)c1ccc(Cl)c(Cl)c1OC 2138592462 SGQYMFOBGPNMIN-UHFFFAOYSA-N 303.229 5.545 30 10 DKEE C=CCCC[C@H](NCCC)c1c(Cl)ccc(Cl)c1F 2139412996 IRLWFXZAQQCYHQ-ZDUSSCGKSA-N 304.236 5.530 30 10 DKEE CCCC(CS)(CCC)COc1cccc2ccsc12 2144687805 SZRHRRYWNAFQQU-UHFFFAOYSA-N 308.512 5.797 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H](NC)c1sccc1Cl 2148559391 JWOMIXDHYXDERL-CABCVRRESA-N 317.926 5.164 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1cccc(Cl)c1Cl 2164479680 JYFRYSAZAAAONH-JKSUJKDBSA-N 314.256 5.311 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1cscc1F 2175864607 UIBPRCGITWWKEK-KRWDZBQOSA-N 300.483 6.232 30 10 DKEE CCCCCCCCNCc1ccc(-c2cccs2)s1 2205862949 DEFIKMMYLJTDLS-UHFFFAOYSA-N 307.528 5.927 30 10 DKEE CCCCCCCC[C@H](O)[C@H](N)c1ccc(Cl)cc1Cl 2207459561 WOQWLCZUBIIBHA-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(C(F)(F)F)cs1 2235520624 BAUAOKAFALXHNM-ZDUSSCGKSA-N 305.409 5.683 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1C#N)c1cc(F)cc(Cl)c1 2238007205 PWFHKFKLKLFDHO-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@H](C)NCCC(F)(F)C(F)(F)F 2240645793 YFOUDWACMLNIGZ-LBPRGKRZSA-N 303.359 5.303 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(Br)cc1Cl 2250133525 PECKNLNRUVVYJX-CQSZACIVSA-N 316.670 5.239 30 10 DKEE Cc1cc(Cl)ccc1Nc1c(Br)cccc1C#N 2257497245 XPTKKDXPWKABMZ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C#CCCCCC[C@H](O)c1cc(Br)cc(C(C)C)c1 2266003630 SVNVZUJPCMGUCA-KRWDZBQOSA-N 323.274 5.190 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1scc(Cl)c1Cl 2268838118 DTKZKRIWWPMYLN-LBPRGKRZSA-N 316.297 5.311 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2284070949 MLMPAGSEYQDTKV-QGZVFWFLSA-N 311.252 5.197 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1c(Cl)cccc1Cl 2284108469 GQATYYSODFNNTL-OAHLLOKOSA-N 310.268 5.250 30 10 DKEE CCN[C@@H](CC=CC#CC(C)(C)C)c1scc(C)c1Cl 2284162117 LJTOGHCDJZSZKG-AWEZNQCLSA-N 309.906 5.356 30 10 DKEE C=CC1(C[C@H](NCCC)c2csc(Cl)c2OC)CCC1 2284262804 RJTZEZCSJZOMBO-ZDUSSCGKSA-N 313.894 5.197 30 10 DKEE C=CCCCCCCCSCCNc1cccc(Cl)c1 2287071706 VCEYNKFBIIUPGK-UHFFFAOYSA-N 311.922 6.012 30 10 DKEE CCN[C@H](C#CC1CCCC1)c1cc(Cl)c(Cl)cc1C 2289688404 UIXFTBOUSAODLQ-QGZVFWFLSA-N 310.268 5.146 30 10 DKEE C=C([C@@H](OCCCN)c1ccc(Cl)c(Cl)c1)C(C)(C)C 2294253072 XUFLFNFROONMGQ-OAHLLOKOSA-N 316.272 5.002 30 10 DKEE C(#Cc1ccccc1)C=Cc1ccc2ccc3ccccc3c2c1 2297448180 MYCUSYMTPDLKOB-UHFFFAOYSA-N 304.392 6.058 30 10 DKEE Cc1ccc(C(=NOCc2ccc(Cl)cc2)C2CC2)c(C)c1 2330317290 MNXNMXQJWPAJTL-UHFFFAOYSA-N 313.828 5.288 30 10 DKEE C=CC[C@@H](C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2347955275 KEKZXFNNXVQZJA-QGHHPUGFSA-N 324.306 5.155 30 10 DKEE C=CC[C@H](C)SC[C@H](NCCC)c1cc(C)cc(Cl)c1 2360208483 PFHFAQMGWAYDSV-YOEHRIQHSA-N 311.922 5.387 30 10 DKEE O=C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCC(F)(F)C1 2366848582 OESKSOZXRJHXGI-AWEZNQCLSA-N 321.194 5.321 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1csc(C(F)(F)F)c1 2370524641 HCZQAZHPLVIKFG-UONOGXRCSA-N 305.409 5.410 30 10 DKEE Clc1cccc(/N=C/c2cccn2-c2ccccc2)c1Cl 59302154 BEDKNYJLAFCYSY-UDWIEESQSA-N 315.203 5.535 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2cccc(Cl)c2Cl)cc1C 61681853 QQIORYLIBLHYMI-CQSZACIVSA-N 318.203 5.100 30 10 DKEE Cc1cc(C#N)cc(C)c1OCc1ccc(Cl)c(Cl)c1 88154298 AOOUXKCEQAEJRH-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE SCCCCCCCCCSc1cc2ccccc2[nH]1 97800156 GDEJJDFVOKOGBP-UHFFFAOYSA-N 307.528 5.921 30 10 DKEE CSc1ccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)cc1 103030047 XOGXHMDLMSLALZ-SEYXRHQNSA-N 311.450 5.340 30 10 DKEE CCCCCCCn1ccc2c(OCc3ccccc3)cccc21 104438772 ZXPHUPCNGCBNDQ-UHFFFAOYSA-N 321.464 6.191 30 10 DKEE CCCCCCCCC(CCCCCCCC)C1CCCCC1 105290288 QQUZVPOZCFYGDY-UHFFFAOYSA-N 322.621 8.684 30 10 DKEE Cc1ccc(C#N)c(Nc2ccc(Br)cc2Cl)c1 110254168 ZULFISQVVRJUPX-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H](C)c2ccccc2Cl)C1 110265542 TZIFBTVBYPDXKV-JTOWHCCKSA-N 304.865 5.051 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c2c(c1)OCO2 115832543 FRYNVIDIRGARMZ-HNNXBMFYSA-N 312.837 5.243 30 10 DKEE CCCCCCCCCC[C@H](N)CSc1cccc(F)c1 116703357 XHKSORTYMDSMGU-KRWDZBQOSA-N 311.510 5.776 30 10 DKEE CCCCCCCCC[C@H](N)Cc1cc(Cl)ccc1OC 161966757 AGZRRNFSSQPESY-KRWDZBQOSA-N 311.897 5.359 30 10 DKEE CCCCCCCC(=O)c1cc(F)ccc1Br 164712441 DZLMFEBRXUEPDJ-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Br)c(C)s1 227716765 UOFIBMGSQZFJTI-CYBMUJFWSA-N 318.324 5.569 30 10 DKEE CCCCCC[C@H](C)Oc1ccc(C#N)c(Br)c1 228200760 GTNLWZVENMCCTD-LBPRGKRZSA-N 310.235 5.058 30 10 DKEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1cccc(Cl)c1Cl 235235189 MZHJOTHQZFACSV-SECBINFHSA-N 309.171 5.177 30 10 DKEE ON=C1CCC=CCCC=CCC[C@@H]1SCc1ccco1 254453143 XDBJADJNAUYMHZ-KRWDZBQOSA-N 305.443 5.178 30 10 DKEE CCOc1ccc2ccccc2c1C=Nc1cc(C)ccc1C 254743798 JPRUBXZSGYHGHD-UHFFFAOYSA-N 303.405 5.606 30 10 DKEE Cc1ccc(C=Nc2ccc(N=Cc3ccc(C)cc3)cc2)cc1 254771144 IQWRVVPHAFGFTN-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)sc1Cl 311859899 QIZDOFAIMPSMGZ-LBPRGKRZSA-N 318.313 5.535 30 10 DKEE C=CCCC[C@H](C)N[C@@H](CC)c1cccc(Br)c1 398146131 BTTDUAMXVOAVDS-BBRMVZONSA-N 310.279 5.235 30 10 DKEE CCCCCCCCN(C)Cc1cccc(Br)c1 404209266 UFHSGUBWIWLRNZ-UHFFFAOYSA-N 312.295 5.241 30 10 DKEE C[C@@](C#N)(CC1CCCCC1)Nc1cccc(Br)c1 709759280 WRIKIWNXAGRRTB-INIZCTEOSA-N 321.262 5.114 30 10 DKEE Clc1cc(Cl)cc(N=Cc2cccc(Cl)c2Cl)c1 1084631646 XWLBSVPHXATOIO-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccccc2Cl)s1)C(C)(C)C 1919678140 QYTWPCRGMWPAKG-INIZCTEOSA-N 306.858 5.704 30 10 DKEE CCCCCCCC[C@](C)(N)c1cccc(Cl)c1Cl 1920484881 SVMHRLNEZYHHEU-INIZCTEOSA-N 302.289 5.918 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)CC1(CS)CCCC1 1931998031 GPMWAHHLOXBVMY-QGZVFWFLSA-N 305.531 5.023 30 10 DKEE C=CCNCC(=C)c1c(Cl)c(Cl)cc(Cl)c1Cl 1943961016 MTFPNSPEPHZMBF-UHFFFAOYSA-N 311.039 5.089 30 10 DKEE C=CCCC[C@H](NCC)c1c(C)sc(C)c1Br 1948480515 LRMARQYKPQLKCO-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C(CC)CCc1cc(Br)ccc1Br 1957352442 IJNFFGHEZAUNDJ-UHFFFAOYSA-N 318.052 5.110 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cccc(C)c1NC(=O)OC(C)(C)C 1975926450 WDTDRCFDFXWWFL-CQSZACIVSA-N 317.429 5.127 30 10 DKEE CCCCCCCCN[C@H]1CCCC[C@H]1OCc1ccccc1 1977470153 XVVVEZUERRIFLM-LEWJYISDSA-N 317.517 5.465 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Br)c(Cl)s1 1978551197 WAFQZNHQEPEPFH-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=CCCCCCC[C@H](N)c1sccc1Br 1995178199 SCMLGHCZGKUAIB-LBPRGKRZSA-N 302.281 5.037 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(F)cc(Br)c1 2085840608 ZXZIARJNLKZDAX-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1coc(Br)c1 2086261337 KCUUCNAPDPQEMZ-CQSZACIVSA-N 314.267 5.349 30 10 DKEE C=CC1(CN[C@@H](C)c2cccc(Br)c2)CCCCC1 2132977488 NWONKYMXIMHEIC-AWEZNQCLSA-N 322.290 5.236 30 10 DKEE C=C([C@H](NCCC)c1c(F)ccc(Cl)c1F)C(C)(C)C 2164207144 RDVKJDJAKKAMNQ-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE CCCC[C@](C=O)(CC)Cc1csc(-c2ccsc2)n1 2164462897 VSSUHPSHUYHKQM-MRXNPFEDSA-N 307.484 5.200 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1scc(C)c1Cl 2207433180 XIGBKSYBQQVIER-CQSZACIVSA-N 314.926 5.521 30 10 DKEE C=C1CC([C@@H](NCC)c2cc(Cl)c(Cl)c(Cl)c2)C1 2217667685 CCCRSRZTOWCRQQ-CQSZACIVSA-N 304.648 5.264 30 10 DKEE Cc1cc(NCC=CC#CC(C)(C)C)c(C)cc1Br 2268822011 HEXFHWPYKGFFET-UHFFFAOYSA-N 320.274 5.084 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cccc(Cl)c1Cl 2271834535 GSWPBKNAWSLJQF-HNNXBMFYSA-N 300.273 5.781 30 10 DKEE CCCCCCC[C@H](NC)c1c(F)ccc(OC)c1Cl 2286692360 ULVXBSGKXUOSKL-ZDUSSCGKSA-N 301.833 5.109 30 10 DKEE Cc1cccn2c(N=Nc3cccc(C#N)c3)c(C(C)(C)C)nc12 2320768116 WFDISJWSNHWDIJ-UHFFFAOYSA-N 317.396 5.227 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 2330455924 FPSXFEQKQKRWSP-UHFFFAOYSA-N 315.844 5.578 30 10 DKEE C=CC[C@H](C)SC[C@H](NC)c1c(Cl)ccc(F)c1Cl 2335103954 SWKFBCUAJNKOSG-CABZTGNLSA-N 322.276 5.091 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)Cc1ccc(Cl)c(Cl)c1C 2344347570 CLZYYEJCRIXJMX-HOCLYGCPSA-N 300.273 5.164 30 10 DKEE C=CCC(CC=C)Sc1cc(C)c(CNC2CCC2)s1 2360374918 MJGPKLZUGUPHME-UHFFFAOYSA-N 307.528 5.312 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2366409812 ZMRIQLYCOKPMAA-HNNXBMFYSA-N 318.263 5.920 30 10 DKEE CC(C)c1ccc(-c2nc3ccc(Cl)cn3c2[C@@H](C)C#N)cc1 31921554 NZLWFOGCYICDRA-ZDUSSCGKSA-N 323.827 5.405 30 10 DKEE Cc1ccc(NC2=CC(=O)C[C@H](c3ccccc3Cl)C2)cc1 58866350 AIJKDBFLZHZHPG-CQSZACIVSA-N 311.812 5.091 30 10 DKEE Cc1ccsc1/C=N/c1ccccc1C(=O)Nc1ccccc1 59505155 AYZVNSPNFTWMFJ-DEDYPNTBSA-N 320.417 5.059 30 10 DKEE Fc1ccc(-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F 63979960 PDNSFYAYCKXHOT-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cc(F)ccc2Br)C1 87972899 ZAXLPPYQMDVWSE-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE CCc1ccsc1C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 94531355 XVVKTHNPWKXYNH-GFCCVEGCSA-N 324.232 5.107 30 10 DKEE SCCCCCCCCCOc1cccc2cccnc12 97799753 BYNGCKAACGFVTI-UHFFFAOYSA-N 303.471 5.274 30 10 DKEE CCCCCCCCCCCCNC(=O)c1ccccc1Cl 105142650 YGJKNOQTXSCXJD-UHFFFAOYSA-N 323.908 5.991 30 10 DKEE CCCCCCCCCCCCN(CCC(N)=S)C1CC1 110270961 YAEPEBBVLSWBHO-UHFFFAOYSA-N 312.567 5.048 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1cc(C)sc1C 115856816 REFGHZOFVRYNIS-IBGZPJMESA-N 309.563 6.546 30 10 DKEE CCCCCCCC[C@H](N)Cc1cccc(C(F)(F)F)c1 116722720 UQOJXOMHZLNPRR-INIZCTEOSA-N 301.396 5.326 30 10 DKEE CCCCCCCC[C@H](CNC1CC1)c1ccc(Cl)cc1 118847175 XOJQHGPADQVVHO-QGZVFWFLSA-N 307.909 5.926 30 10 DKEE C[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 134707117 WJSFNDJCHIQKQU-WDEREUQCSA-N 324.371 5.050 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(C(F)(F)F)cn1 139644954 FDYSLBKDFVGEPS-AWEZNQCLSA-N 302.384 5.112 30 10 DKEE CCCCCCCCCCC(=O)c1csc2ccccc12 165092010 TYYOWXISAUZFNR-UHFFFAOYSA-N 302.483 6.615 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=NOC(=O)c1cccc3ccccc13)C2 252461283 LULYCGDWRJMHSB-YCRPNKLZSA-N 321.420 5.199 30 10 DKEE C=CCCCCCCN[C@@H]1CCSc2ccc(Cl)cc21 380416464 VXYQUTAJLHZHIQ-MRXNPFEDSA-N 309.906 5.603 30 10 DKEE CCCC1CCC(C#N)(N(CC(C)C)C(=O)OC(C)(C)C)CC1 698855503 ZJJHQFPFOVOVBI-UHFFFAOYSA-N 322.493 5.132 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C)c(Br)c1 715809914 AWPCATXCEHGNAM-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(OCc2ccccc2)c1 1903138424 ZEHWETCUZURPQT-NHCUHLMSSA-N 309.453 5.258 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1ccc(OCc2ccccc2)cc1 1903161772 SIDQUWPHLGTTRM-RTWAWAEBSA-N 309.453 5.258 30 10 DKEE C=C([C@@H](O)c1ccc(-c2cccc(Cl)c2)s1)C(C)(C)C 1919684849 TYDUAKVEAFGMFU-MRXNPFEDSA-N 306.858 5.704 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)C[C@H](CS)C(C)(C)C 1931998306 JEJUVLDXZUJDGA-SJLPKXTDSA-N 307.547 5.125 30 10 DKEE SCCCCCCN(Cc1ccccc1)C1CCCCC1 1932029166 PAWOFLWOPGTLIO-UHFFFAOYSA-N 305.531 5.312 30 10 DKEE CCCCCCC[C@H](N)c1scc(C)c1Br 1939865017 GAXYVHTULBHFMX-NSHDSACASA-N 304.297 5.179 30 10 DKEE C=C(C)CCCN[C@H](C)c1ccc(Br)cc1Cl 1940912935 IAJKGXVNUFDSSZ-LLVKDONJSA-N 316.670 5.109 30 10 DKEE C=CCCCCCC[C@H](O)c1sccc1Br 1995205097 NWVPHJQNIMBLGV-LBPRGKRZSA-N 303.265 5.071 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Br)c(C)s1 2000364838 KWECHBZMBFWJBQ-HZMBPMFUSA-N 316.308 5.072 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Br)c(C)s1 2026001065 CTLWVMCTWVLHTG-ZDUSSCGKSA-N 316.308 5.345 30 10 DKEE C=CCCCCCC[C@H](N)c1sc(Br)cc1C 2026013783 BSABQTVYRWZUNZ-LBPRGKRZSA-N 316.308 5.345 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(Br)ccc1C 2059111435 KLKUXFQIGMAAEH-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=CCCCCCCC(=O)c1ccc(F)cc1Br 2085849734 NXJKQYHXXQQSMG-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2136079778 ZDGLMKDLZOTLNQ-GFCCVEGCSA-N 312.162 5.152 30 10 DKEE N#CC1(c2ccc(Br)cc2F)CC2(CCCCC2)C1 2141240959 FWQNEAILRGJNSM-UHFFFAOYSA-N 322.221 5.094 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc(Cl)sc1Cl 2141905952 QAAXEBJPLRHOGJ-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C=CCCCCCCCCNc1cccc(Cl)c1Cl 2142446139 MZGWRPMMMZDMPX-UHFFFAOYSA-N 300.273 6.322 30 10 DKEE C[C@@](N)(CC#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2154707885 BFKRPYCYKYETRT-QGZVFWFLSA-N 310.268 5.141 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cc(C(F)(F)F)cs1 2173633256 HKSXMVMOYSPVOQ-CQSZACIVSA-N 301.377 5.420 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(F)c(Cl)cc1F 2179681955 VMEAKZXEJRAQTQ-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CCC[C@H](C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)C 2203972267 CACUSDWIRJMOLW-GJZGRUSLSA-N 312.240 5.242 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1c(Cl)cccc1Cl 2231512806 PJDJHPNPWNRSPG-WBMJQRKESA-N 300.273 5.116 30 10 DKEE CC(C)c1cc(Br)cc(C(=O)C=C2CCCC2)c1 2254766566 UXNIMKMAZXHAJL-UHFFFAOYSA-N 307.231 5.256 30 10 DKEE CC(C)(C)[C@H](CS)CSCC1(C(F)(F)F)CCC1 2261542827 HKKOVUCTHZIEBE-SNVBAGLBSA-N 300.455 5.044 30 10 DKEE CCCCCCCCCCC[C@H](O)c1cc(Cl)cs1 2274436182 ONCNHFHMOGDSME-HNNXBMFYSA-N 302.911 6.356 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 2304061363 DZNHMZVRNMZCSM-NRFANRHFSA-N 323.480 5.519 30 10 DKEE CCC[C@@H](CS)COc1ccc(C(F)(F)F)cc1Cl 2340995071 PEYSZANQQBAPTH-SECBINFHSA-N 312.784 5.084 30 10 DKEE CC#CCCCCOc1ccc(Br)cc1C(C)(C)C 2341061618 KMCFYGQEIVBUBP-UHFFFAOYSA-N 323.274 5.319 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)c(Cl)cc1Cl 2344338995 FLLRLAKWXSMIBJ-GJZGRUSLSA-N 320.691 5.900 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2344342700 AXIHESWSVVNOQI-AWEZNQCLSA-N 320.691 5.900 30 10 DKEE C=CCCCSc1ccc(C)c(Cl)c1CNC(C)(C)C 2360720596 UGDVBPNVBBUROI-UHFFFAOYSA-N 311.922 5.595 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(OC)c(Cl)s1 2365834434 VATINQTWEJKIED-ZDUSSCGKSA-N 318.910 5.974 30 10 DKEE CCCC[C@@H](CC)[C@@H](O)C#Cc1ccc(Oc2ccccc2)cc1 95633820 MYBRFJOSSRAOHK-KNQAVFIVSA-N 322.448 5.408 30 10 DKEE CCCCCCCOc1ccccc1CNCc1cccs1 100128250 DVHPZPGMPXPSSI-UHFFFAOYSA-N 317.498 5.387 30 10 DKEE CCCCCCCN(CC)CCCCc1ccc(Cl)cc1 103242422 XRXXKWOKXISVCY-UHFFFAOYSA-N 309.925 5.955 30 10 DKEE CCCCCCCCCOc1ccc(CNCC)cc1OCC 104742844 VWTJROGNLUIVQT-UHFFFAOYSA-N 321.505 5.324 30 10 DKEE CSc1ccc(Oc2ccc(C(F)(F)F)cc2C#N)cc1 110981884 KHZLCYZGSBFGTA-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE C[C@H](CC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)(C)C 111650605 MKBIWYQSKJEVMU-PWSUYJOCSA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)cc(Cl)c1 158118319 LALYMZDIMLTQFD-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CCCCCCCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 159149933 ZLFYLVSSLXNIEW-LBPRGKRZSA-N 320.279 6.144 30 10 DKEE C[C@H]1C[C@@H](Nc2ccc(Cl)c(C#N)c2)c2ccsc2S1 216992717 LIFFLAMILOUHPJ-LKFCYVNXSA-N 320.870 5.311 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(Cl)c2)C1 222882188 LFHDOFGQOIHNJI-ZENOOKHLSA-N 307.890 5.787 30 10 DKEE CCCCCCC[C@H](N)c1ccc(F)c(F)c1Br 231871192 MWSWGRCSVUPUOY-LBPRGKRZSA-N 320.221 5.088 30 10 DKEE C=CCCCCCOc1cc(Br)ccc1Cl 236034984 HLCLWEDJFNGINJ-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE CC1(C)C[C@H]2C[C@@](C)(C[C@@H]2CC(=O)[C@H](C#N)c2ccccc2)C1 256044893 XCDDSVQWOOULJE-LXGFNABISA-N 309.453 5.105 30 10 DKEE C=C(CC)C[C@H](N)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 407822966 STAAJIATDRIXFI-AWEZNQCLSA-N 324.852 5.043 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cccc(Br)c1 703956195 YHKWDWXTNJZXGI-ZDUSSCGKSA-N 310.279 5.092 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cc(Cl)ccc1Cl 704007232 ZNKUPNSLGLVQRV-LBPRGKRZSA-N 300.273 5.636 30 10 DKEE C=CCCC(C)(C)CNc1nc(Cl)nc2sc(C)cc12 709456320 PKTLNUARVWPFHL-UHFFFAOYSA-N 309.866 5.057 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Br)ccc1C 715816842 ZZHYJBJSUCZHCS-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE CC/C(=N\OCc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 821221199 RJIBJZCGEWGSSO-LSDHQDQOSA-N 309.453 5.623 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc(SC)c1 1865986283 VTGLLDRITVJCPJ-UHFFFAOYSA-N 321.530 6.268 30 10 DKEE C=C([C@H](NCCC)c1ccc(SCC)cc1)[Si](C)(C)C 1922967686 HZAYLISNOPCNOW-KRWDZBQOSA-N 307.579 5.273 30 10 DKEE C=CCCCC[C@@H](N)c1cccc(NC(=O)OC(C)(C)C)c1C 1984511946 SOOAMBFLQTXNPF-MRXNPFEDSA-N 318.461 5.088 30 10 DKEE CCC[C@@](C)(C#N)c1ccc(C(F)(F)F)cc1Br 2046001865 GMGBQOLUZIUQGS-LBPRGKRZSA-N 320.152 5.049 30 10 DKEE C=C(Br)CCN(C)C1CCC2(CCCCC2)CC1 2051647045 XKYHHTFMJXZAID-UHFFFAOYSA-N 314.311 5.110 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1c(Cl)cccc1Cl 2108214679 XUPQSPNUUPDBOJ-HUUCEWRRSA-N 300.229 5.137 30 10 DKEE O=C(CC#CC1CC1)c1ccc(-c2ccccc2Cl)s1 2164063187 NIQKWEFDOQILCU-UHFFFAOYSA-N 300.810 5.055 30 10 DKEE CCCCCCCCC[C@H](NCC)C1(P(C)(C)=O)CC1 2204451274 ZIMJQFQFTXASPZ-INIZCTEOSA-N 301.455 5.261 30 10 DKEE CCCCCCC[C@](C)(N)c1c(OC)ccc(Cl)c1F 2207320756 BGKGZQHZLMWCLQ-INIZCTEOSA-N 301.833 5.022 30 10 DKEE C=CCCCCCCCC[C@H](O)[C@@H]1SCCS[C@H]1CC 2207405006 QLGMQHQSZMEADO-ULQDDVLXSA-N 316.576 5.281 30 10 DKEE CCCCCCCCCOc1ccc(N)cc1Br 2223204639 KDNWEPDCWQMHCD-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE CC(C)[C@@H](CS)CSc1nc(-c2ccccc2)cs1 2225895353 AJCKGBWDWQDDSM-ZDUSSCGKSA-N 309.525 5.104 30 10 DKEE C=CCCCCCCCC(=O)[C@@H]1SCCS[C@H]1CC 2227280993 PVCADIJLLGPIEQ-HOTGVXAUSA-N 300.533 5.099 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235753516 KXGMBDFDEQRLCL-PWSUYJOCSA-N 312.240 5.242 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2271837511 UVLSJLUZFFUZHU-MRXNPFEDSA-N 300.273 5.699 30 10 DKEE C=CCCCCCCCSCCCCC(C)(C)C(=O)O 2287076863 KDNFJYXFFPZACG-UHFFFAOYSA-N 300.508 5.527 30 10 DKEE O=C(CC#CC1CCCC1)c1ccc(-c2cccs2)s1 2289902160 YDWGPDNAJMHIKX-UHFFFAOYSA-N 300.448 5.243 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1c(C)sc(C)c1Br 2304127613 HTHLKVIXUZRLNL-ZIAGYGMSSA-N 317.292 5.153 30 10 DKEE C=C[C@](C)(CCCc1cc(Cl)cc(Cl)c1)CNCC 2341200654 GYZMFYMFYNVPFB-MRXNPFEDSA-N 300.273 5.118 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 2353120272 TZHNYXMHEDZLQE-MRXNPFEDSA-N 302.289 5.836 30 10 DKEE C=CCC(CC=C)Sc1cc(C)c(C(F)(F)F)cc1N 2360205808 QALVQSHLXDJHQB-UHFFFAOYSA-N 301.377 5.209 30 10 DKEE CCCCCCC[C@](C)(O)Cc1ccc(F)c(C)c1Cl 2364609115 GDODMMWUWZJIBX-KRWDZBQOSA-N 300.845 5.442 30 10 DKEE CCCCCCCCc1ccc(-c2ccc(C(=O)O)cc2C)cc1 44417190 NXZPXJXEQBKXLP-UHFFFAOYSA-N 324.464 6.263 30 10 DKEE N#Cc1ccc(CSCc2c(Cl)cccc2Cl)cc1 58238446 JQTWXANZAFCDJA-UHFFFAOYSA-N 308.233 5.298 30 10 DKEE CCCCCCCCCCCC[S@@](=O)c1ccc(N)cc1 112957491 HESRDUPBXWQSNG-NRFANRHFSA-N 309.519 5.297 30 10 DKEE N#Cc1ccc(Cl)c(Nc2nc3ccc(Cl)cc3s2)c1 127982280 YXXVHHDHQNEMPB-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE CCCCCCCC[C@@H](NC)c1cccc(Cl)c1Cl 159038263 FNQGDFLXDHFYSQ-OAHLLOKOSA-N 302.289 6.005 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1F)c1cc(Cl)ccc1Cl 168288044 VOHCMEGEZGDSBV-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(F)c(F)c1F 229274774 JAPZLFANAMRTHP-OAHLLOKOSA-N 302.380 5.668 30 10 DKEE C=CCSCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 231930579 PSWSCRXEVRXCES-SECBINFHSA-N 324.704 5.217 30 10 DKEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 393785908 XSJGZSVWBONOMV-VHSXEESVSA-N 306.664 5.652 30 10 DKEE CC[C@@H]1NC(=Nc2cc(Cl)c(C)c(Cl)c2)S[C@H]1CC 690282729 PMRCBFQXRDAXHN-STQMWFEESA-N 317.285 5.183 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1NCCCC(C)(C)C#N 691176512 FIQWBQWBMFLPNE-UHFFFAOYSA-N 322.452 5.316 30 10 DKEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2cccc(Cl)c21 692191436 QTBADMOTLOBVCL-SMDDNHRTSA-N 306.862 5.286 30 10 DKEE C=CCC(C)(C)CN[C@H](C)c1cc(Cl)cc(Cl)c1F 692323004 VBINNJXQCYAAOD-SNVBAGLBSA-N 304.236 5.385 30 10 DKEE C=CC[C@H](C)C(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 715747434 HMSGUEASKXLTAH-NSHDSACASA-N 323.820 5.082 30 10 DKEE CCCCCCCCCC1(N)CCN(Cc2ccccc2)CC1 717961958 VKQQMDSFWKMFSG-UHFFFAOYSA-N 316.533 5.121 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1ccc(F)c(F)c1 1857938268 UFZCWGZNDRRQPF-LPYMAVHISA-N 311.331 5.059 30 10 DKEE CCCCCCCCCCOCC(C)(C)NCc1ccccc1 1915845716 VCROEOBENGYOFI-UHFFFAOYSA-N 319.533 5.712 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCC1 1980339876 QJUDWKYEINVGOG-INIZCTEOSA-N 322.493 5.419 30 10 DKEE FC(F)c1c(OC(F)(F)F)ccc(Cl)c1C(F)(F)F 2054960135 WWWFAZHTZONKTN-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE N#Cc1c(Cl)cccc1OCc1cc(Cl)sc1Cl 2074830583 AEZXVTZAECXXJF-UHFFFAOYSA-N 318.612 5.159 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCCC(C)(C)C1 2112241234 BAIJAZMPYODBSD-KRWDZBQOSA-N 320.274 5.410 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)s1 2142432190 QRBWRBDFRSFGSY-CYBMUJFWSA-N 320.329 6.362 30 10 DKEE Cc1sc(Cl)cc1[C@@H](O)C1(C#N)CCC(C(C)C)CC1 2154439112 GLZBPEUZHDYULD-DSSZZKGTSA-N 311.878 5.100 30 10 DKEE C=C([C@H](NCCC)c1ccc(C(C)(C)C)s1)C(F)(F)F 2164203177 HVSUXUNEAUXJQS-ZDUSSCGKSA-N 305.409 5.205 30 10 DKEE C=CCCCC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2179680186 IVUWWWCGUYHWIV-MRXNPFEDSA-N 314.300 5.651 30 10 DKEE CN(Cc1cc2sccc2s1)c1ccc(Cl)cc1C#N 2205539331 IXGPOPZDAJEMPW-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1ccccc1Br 2227277002 VXOJRYHQMNCITG-QGZVFWFLSA-N 324.306 5.540 30 10 DKEE C=CCCCCCC[C@H](O)Cc1cccc(Cl)c1Cl 2227497744 ODLMDAZKSGWSRD-AWEZNQCLSA-N 301.257 5.423 30 10 DKEE C=CCCCCCC[C@H](N)Cc1cccc(Cl)c1Cl 2227501203 MGCWQONCACRPJN-AWEZNQCLSA-N 300.273 5.390 30 10 DKEE C=CCC[C@@H](NCCC)c1sc(Br)c(C)c1C 2247215992 FJEZIFGPVXKMKS-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCC1CC(Nc2c(Br)cccc2C#N)C1 2269737528 JQOMREJGVVVDEC-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCC(CC)(CS)CSCC1(C)CC(C(F)(F)F)C1 2271684038 BRHRGLRXDBIYCW-UHFFFAOYSA-N 314.482 5.434 30 10 DKEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1ccsc1Cl 2284102673 IOEMZAKKEZQUFA-HNNXBMFYSA-N 309.906 5.438 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2286526925 XJMFBXNTCPVYPF-QGZVFWFLSA-N 314.300 6.089 30 10 DKEE C=CCCCCCCCSc1ccc(CNCCC)s1 2287080722 UTHXHVMDHKAFKG-UHFFFAOYSA-N 311.560 5.866 30 10 DKEE CCCCCCCCC[C@@H](CC(C)(C)SC)OCCN 2294457256 AWNCQKDOXZXCEG-INIZCTEOSA-N 303.556 5.003 30 10 DKEE Cc1ccc(C)c(C(=O)C=CNc2cc(Cl)ccc2Cl)c1 2296876305 KKOZROXXJILOBA-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE O=[N+]([O-])c1ccc(C=N[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 2297452660 AGNSXOBSVWJNTP-VDGAXYAQSA-N 324.424 5.073 30 10 DKEE CCCCCCCCC(=O)c1c(Cl)cc(C)cc1Cl 2352805170 JWIBXZOBDWUPIR-UHFFFAOYSA-N 301.257 6.235 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCCC)c1cc(C)cc(Cl)c1 2360208482 PFHFAQMGWAYDSV-WMLDXEAASA-N 311.922 5.387 30 10 DKEE CCCCCCCCCC(=O)c1c(Cl)cc(F)cc1Cl 2360483345 IBERFNIIYUEMOA-UHFFFAOYSA-N 319.247 6.456 30 10 DKEE C#CCCCCCCN[C@H](CC)c1ccc(Cl)c(Cl)c1 2364159788 HQUFPDRPPAFUPC-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C)cc1)N2 14458616 OUGFPSJRZJLGPU-CNNODRBYSA-N 317.432 5.386 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2 14478887 QSMQKHUGSNJSNU-JQVVWYNYSA-N 317.432 5.386 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl 37344116 QMRQXAODSLRSHU-LLVKDONJSA-N 324.594 5.137 30 10 DKEE Cc1ccc(Nc2cccc(Cl)c2C#N)c(Br)c1 70138312 TYOXCGQAQWJSAI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE N#Cc1ccccc1/N=N\c1c(-c2ccccc2)nc2ccccn12 71580076 SCNRFESVCRSGFL-VHXPQNKSSA-N 323.359 5.288 30 10 DKEE CC[C@H]1CCC[C@H](Nc2ccc(C#N)cc2Br)CC1 86901791 WDABWWJLDGAFJW-JSGCOSHPSA-N 321.262 5.092 30 10 DKEE CCCCCCCNC(=O)c1ccc(OCCCCCC)cc1 100141452 BOSFNUZBQRYFGC-UHFFFAOYSA-N 319.489 5.346 30 10 DKEE CCCCCCCCCCCC[C@@H](CC(F)(F)F)NCC 109729144 ZTCLBKMJCMOGNG-INIZCTEOSA-N 309.460 6.228 30 10 DKEE CCCCCCCCCCC[C@@H](O)[C@H](CN)c1cccs1 115863082 QFHWURMPJGUIBS-DLBZAZTESA-N 311.535 5.072 30 10 DKEE CCCCCCCCC[C@@H](CNCC)c1cccc(Cl)c1 118855307 CLGAUGHFQHPFPO-SFHVURJKSA-N 309.925 6.174 30 10 DKEE CCCCCCCCC[C@H](Cc1ccc(Cl)cc1F)NC 134226711 YFQBCSAJOWWOLU-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCCCC[C@H](Cc1ccsc1)NC 143485051 RFRYALNDYCHRHN-LJQANCHMSA-N 309.563 6.190 30 10 DKEE O=C1/C(=C\c2cccc(Oc3ccccc3)c2)Cc2ccccc21 212563244 TWHHIMGUNJQRNU-AQTBWJFISA-N 312.368 5.301 30 10 DKEE Cc1ccc(C)c(Oc2ccc(C#N)c(Br)c2)c1C 228201181 FRVPYMMCJVLLIJ-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)cc1Cl 695767045 BIJLVQKTTDAUKC-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698443147 IEFPDCJDEPHKEV-KRWDZBQOSA-N 316.445 5.291 30 10 DKEE CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698864324 BMYQEOWCNQXQKS-SFHVURJKSA-N 308.466 5.029 30 10 DKEE C=CCc1cc(C=Nc2ccc(C(C)C)cc2)cc(OCC)c1O 1084465090 SPUKDCBLMPJQGL-UHFFFAOYSA-N 323.436 5.393 30 10 DKEE C/C(=N\OCc1ccc(Cl)c(Cl)c1)c1ccc(C)c(C)c1 1857936082 RWJJLRLTXYEQPZ-DEDYPNTBSA-N 322.235 5.551 30 10 DKEE CC(C)[C@H](C#N)CN(Cc1ccccc1)[C@H](C)c1cccs1 1915397448 OFGVFCMSFAIVHN-SJLPKXTDSA-N 312.482 5.107 30 10 DKEE C=C([C@H](NCC)c1cc(Cl)sc1Cl)[Si](C)(C)C 1922860872 RRYTWMYPAUSZLL-NSHDSACASA-N 308.350 5.139 30 10 DKEE SC[C@H](CN(Cc1ccccc1)CC1CCCCC1)C1CC1 1931883579 HZPPFLWRSUDKMY-FQEVSTJZSA-N 317.542 5.025 30 10 DKEE SC[C@H](CC1CC1)CN(Cc1ccccc1)CC1CCCC1 1961122216 CDIPZQOAVJTSLP-HXUWFJFHSA-N 317.542 5.025 30 10 DKEE C=CC[C@@H](NC)c1ccc(-c2cccc(Br)c2)s1 2045748744 TTYSXXYXEGJKAV-CYBMUJFWSA-N 322.271 5.014 30 10 DKEE CC1(C)CCC[C@@](C#N)(C[C@]2(Br)CC2(F)F)CC1 2082495345 XPUKQRUQJKUKBD-STQMWFEESA-N 320.221 5.049 30 10 DKEE CCCCCCCCC[C@H](O)C(=O)c1ccc(Cl)s1 2090888143 XNUOXGWQTYXXKG-LBPRGKRZSA-N 302.867 5.086 30 10 DKEE CCCCCCCCC[C@@H](NN)c1snc(Cl)c1Cl 2110892066 WKAXDQBVDQYLHF-SNVBAGLBSA-N 324.321 5.095 30 10 DKEE CC[C@H](C)[C@H]1CSC(=Nc2cc(Cl)c(C)cc2Cl)N1 2136526891 SHGZWFBLCPZPIR-ISVAXAHUSA-N 317.285 5.040 30 10 DKEE CCCCCCCCCCNc1cc(F)c(F)cc1Cl 2168657462 YHORPKNBJQGOGD-UHFFFAOYSA-N 303.824 6.171 30 10 DKEE N#C[C@]1(Cc2cc(Cl)sc2Cl)CCCc2ccccc21 2195413585 KTWCBJRERDEQLW-MRXNPFEDSA-N 322.260 5.395 30 10 DKEE C=CCN(CCCCCCCC1CC1)CC(=C)Br 2223110955 VPQRXCONHHVILY-UHFFFAOYSA-N 314.311 5.134 30 10 DKEE CCCCCCCCCOc1ccc(C#N)c(Br)c1 2230982982 VVLVFBWODLDQFL-UHFFFAOYSA-N 324.262 5.450 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cccc(Cl)c1Cl 2235524924 VXLPBQNYLZTPJF-OAHLLOKOSA-N 315.288 5.415 30 10 DKEE CCCCCCCCCCOCC(=O)c1ccc(Cl)s1 2239500122 CPOIFZSFZXNSSM-UHFFFAOYSA-N 316.894 5.742 30 10 DKEE CCCCCCCC[C@](C)(O)[C@H](NC)c1sccc1Cl 2240642679 PHNBWCBJVIOQJU-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C=C(C)CCCCNCC(CC)(CC)N(C)Cc1ccccc1 2244632375 FALUMHGXLOQPNU-UHFFFAOYSA-N 316.533 5.013 30 10 DKEE CC1CC(CS)(CSc2cc(Cl)ccc2Cl)C1 2246841548 INVGSIULRKXEKY-UHFFFAOYSA-N 307.311 5.432 30 10 DKEE CC(C)c1cc(Br)cc([C@@H]2CC[C@](C)(CC#N)O2)c1 2266017245 GBMIVXVBTHYOID-JKSUJKDBSA-N 322.246 5.096 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1ccc(Cl)s1 2276918812 JXEBBGYPRLXANI-CYBMUJFWSA-N 303.899 5.169 30 10 DKEE C=CCCCCC[C@@](C)(OCCCN)c1csc(Cl)c1 2292902987 NKPSJLAUEMNVHX-MRXNPFEDSA-N 315.910 5.119 30 10 DKEE CCCCCCCCC[C@@H](OCCN)c1ccc(Cl)o1 2293464326 UKTPPVKLYDSDJC-CQSZACIVSA-N 301.858 5.090 30 10 DKEE Cc1cccc(NN=C(c2ccccc2)c2ccc(F)cc2)c1C 2297731207 MLQHNGSCFVDTFK-UHFFFAOYSA-N 318.395 5.307 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(Cl)cc(Br)c1 2304057111 VKVNKMNRDVVPFR-AWEZNQCLSA-N 315.638 5.278 30 10 DKEE C=C[C@@](C)(CNC(C)C)Cc1ccc(Cl)c(Cl)c1C 2338704170 ALXCJNZYZLLGJR-MRXNPFEDSA-N 300.273 5.035 30 10 DKEE C=C1C[C@H]1[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2341885806 QSJLHGWSQMNFTI-SJORKVTESA-N 322.290 5.189 30 10 DKEE C=CC[C@@H](C)Sc1c([C@@H](C)NCCC)ccc(Cl)c1F 2360376060 DGQJPPMTIIKAKH-VXGBXAGGSA-N 315.885 5.596 30 10 DKEE C[C@@H](Nc1cccc(OCC#N)c1)c1ccc(Cl)cc1Cl 37069686 SKWZKVDDAKEAMX-LLVKDONJSA-N 321.207 5.069 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1ccc(Cl)cc1 94581339 ZMGAELPKIAEHCQ-UHFFFAOYSA-N 313.938 5.288 30 10 DKEE CCCCCCCCCC[C@H](O)CC[C@@H](O)Cc1ccccc1 100293301 WYVJMQCITBRSFF-LEWJYISDSA-N 320.517 5.262 30 10 DKEE CCCCCCCCCCCC(=O)OC/C=C\c1ccccc1 105725462 FHHZWLWUDOEYFV-VKAVYKQESA-N 316.485 6.164 30 10 DKEE Cc1ccc(Cl)c(Nc2ccc(C#N)c(Cl)c2)c1Cl 110251264 WMFXMWYCPUGIFC-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE N#Cc1c(Cl)cccc1OCc1ccc(Cl)c(Cl)c1 128930715 LLGLRPFWLUXWCN-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CSc1cccc(N[C@H](C)c2cccc(Cl)c2)c1C#N 167582503 ATNAQWKMZUFZPT-LLVKDONJSA-N 302.830 5.107 30 10 DKEE CC(C)c1ccc(Nc2ccc(C#N)c(Br)c2)cc1 228174289 NECGJXOZJKOTKJ-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1scc(C)c1Cl 232944051 YYUXBIYODFCMRW-OAHLLOKOSA-N 315.954 6.501 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccccc1Br 233609624 YLTAPNDFTIZSNF-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=CCCCCCC(=O)c1ccc(Br)cc1Cl 236035398 PNGUAUHANTZQFS-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE CCCCCCC[C@H](NCC)c1c(Cl)ccc(F)c1F 312355277 NKSXNLUJAHHLNJ-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE CC(=O)c1ccc(C#N)cc1Sc1ccc(Cl)cc1Cl 322520215 VXSOPGREUBETFQ-UHFFFAOYSA-N 322.216 5.219 30 10 DKEE Cc1cccc2nc(-c3ccccc3)c(N=Cc3ccccc3)n12 390825675 ZCUUUBHEPGCVOQ-UHFFFAOYSA-N 311.388 5.060 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccsc1Cl)NC 687928085 XUSWFAAMWKBKHK-HNNXBMFYSA-N 301.927 5.673 30 10 DKEE CCCCCCCCCOc1cccnc1NC(=O)C=C(C)C 1858750277 UBWFXTMDNDYUCY-UHFFFAOYSA-N 318.461 5.116 30 10 DKEE CCCCCCCCNC(=O)c1ccc(CSCC)cc1 1872893902 BTKWVYVYQBXYJN-UHFFFAOYSA-N 307.503 5.030 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1scc(Cl)c1Cl 1888702667 YYHKWTQRTJBWAT-AWEZNQCLSA-N 312.265 5.419 30 10 DKEE C=CC[C@H](C)OC[C@H](NCCC)c1cccc(Cl)c1Cl 1913349827 XMXHLTXNACTTDV-WFASDCNBSA-N 316.272 5.015 30 10 DKEE CCC1CCC(C=O)(CN(Cc2ccccc2)[C@H](C)CC)CC1 1980200243 LQVGZSSERRPTCO-LWEYNCJUSA-N 315.501 5.073 30 10 DKEE C=CCCCCNc1cc(Cl)c(Br)cc1F 1984520152 VMSOQUCHHKKTRY-UHFFFAOYSA-N 306.606 5.010 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1csc(Br)c1 1994465131 KAMMCSOIERQMNA-ZDUSSCGKSA-N 300.265 5.163 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1sccc1Br 1996478643 STGXAPFNWCAQQR-YPMHNXCESA-N 316.308 5.154 30 10 DKEE CCCC[C@@](C)(C#N)[C@H](O)c1cccc(OCc2ccccc2)c1 2000513573 LEZZDLQOSXPOBI-RTWAWAEBSA-N 323.436 5.019 30 10 DKEE C=CCCCCCCCCCNCCC=CBr 2026309290 CUDAKISUODEEJN-UHFFFAOYSA-N 302.300 5.182 30 10 DKEE C=C(Br)CN(C)CCCCCCCCCCCC 2031574938 LUXSAJOOWYDUKQ-UHFFFAOYSA-N 318.343 5.748 30 10 DKEE CC=C(CC)C(=O)c1cc(C(F)(F)F)ccc1Br 2077118255 ORTJBZRJUAIRQH-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2099898114 HKSJQWCVLNUPLZ-CYBMUJFWSA-N 322.301 5.077 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1F 2151941159 VOCMSWGPEMMZIZ-SECBINFHSA-N 309.171 5.177 30 10 DKEE CSc1ccccc1[C@H](C)Nc1cccc(Cl)c1C#N 2152745300 PHNDLWIXKITTQR-NSHDSACASA-N 302.830 5.107 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(F)c(F)cc1Cl 2206891294 KGYVRAYZIAPWTG-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CCCCCCCCCCCCOC[C@H](CS)C(C)C 2239497822 HBALJQNUYCQFMF-GOSISDBHSA-N 302.568 6.126 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(C)c(Cl)cc1F 2240619422 GTRZJCWLSKSXRS-QGZVFWFLSA-N 300.845 5.746 30 10 DKEE C=CCCCCCC[C@@H](OCCN)c1ccc(SC)s1 2292771704 SHPNVUQGJCBTSL-CQSZACIVSA-N 313.532 5.013 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1cc(C)c(Cl)s1 2294365671 CCCRKYCATVWMCN-CQSZACIVSA-N 317.926 5.477 30 10 DKEE CCCCCCCCC[C@](C)(N)c1csc(C(F)F)c1 2295585275 KYDQUMPELPKWNI-INIZCTEOSA-N 303.462 6.000 30 10 DKEE C=CC[C@H](C)SC[C@H](NCC)c1cccc(Cl)c1Cl 2335095475 BNTBWAZZOBGTGQ-FZMZJTMJSA-N 318.313 5.342 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(Br)cc(C(C)C)c1 2344419110 FJHSEEDBZGCBGO-QGZVFWFLSA-N 323.274 5.748 30 10 DKEE CCCCCCC[C@](C)(O)c1c(Cl)cc(C)cc1Cl 2352845633 ISUQELNYXLFPED-INIZCTEOSA-N 303.273 5.870 30 10 DKEE CCCCCCCN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353057609 WCRHUVKGRBNBIX-ZDUSSCGKSA-N 302.289 5.923 30 10 DKEE C=CC[C@H](C)S[C@H]1CCCCCC(F)(F)[C@H]1NCCC 2360332154 ZPCGBJYTMNHYAX-KKUMJFAQSA-N 305.478 5.020 30 10 DKEE Cc1ccc(C#N)cc1NCc1ccc(Cl)c(Cl)c1C 2364005912 ZICMCHZNIZEKKD-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(C(F)F)s1 2371129033 WSDNODSCYXZECR-LBPRGKRZSA-N 324.864 6.513 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(C)cc2)C1 37154462 QWOOKFSVXJCGCH-SOLBZPMBSA-N 301.499 5.832 30 10 DKEE Cc1cc(C)cc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 50038969 RBQSMVYAULRSED-CQSZACIVSA-N 318.203 5.100 30 10 DKEE C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)c(Cl)c1 126295911 PPCLCUZVHRNYMP-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCSc1cccc(Nc2ccc(OC)c(Cl)c2)c1C#N 136606149 FJGOPRUMUDDLNE-UHFFFAOYSA-N 318.829 5.076 30 10 DKEE CCCCCCCCCCNC(=O)c1oc2ccccc2c1C 170565738 UVGBUNKOBVHZCT-UHFFFAOYSA-N 315.457 5.612 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(Br)s1 233544143 GLNVAELDJRPPAO-LBPRGKRZSA-N 316.308 5.298 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(Cl)ccc1Br 236549498 GNNQRMVWJKDMRW-CQSZACIVSA-N 317.654 5.272 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2cc(Br)ccc2C)C1 317256952 FEDICLFKZBOJHV-PBHICJAKSA-N 323.274 5.086 30 10 DKEE C[C@H](CC1CCCCC1)Nc1ccc(Br)c(C#N)c1 690201458 QTPPEPCEWPKQPT-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)Sc1cccc(Br)c1 704940897 SQTZWCZIGGSXGO-KCPJHIHWSA-N 324.287 5.260 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC[C@H]1CC 710717764 IQODSZUIYJLEOU-FCEWJHQRSA-N 322.493 5.275 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cc2cccc(Br)c2o1 715829350 KUUQQSZDKJMIOR-ABAIWWIYSA-N 322.246 5.058 30 10 DKEE CCCCCCCCC[C@@H](N)c1oc(Br)cc1C 716218253 IXIDUQPLEOEIRF-CYBMUJFWSA-N 316.283 5.491 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(C(F)(F)F)s1 718007664 RIWNQOYFKQZIHX-CQSZACIVSA-N 308.409 5.725 30 10 DKEE N#CCc1c(SC(F)(F)F)cc(C(F)F)c2sccc12 725297436 OUVACBUEXITQSA-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE Cc1ccc(/C(=N/OCc2cccc3ccccc23)C2CC2)cc1 821226955 NKKCIMQDZASQNW-FCQUAONHSA-N 315.416 5.479 30 10 DKEE Cc1ccc(CO/N=C(/c2ccc3c(c2)CCCC3)C2CC2)cc1 821229517 KLCJTFXHIJLJHV-GHVJWSGMSA-N 319.448 5.205 30 10 DKEE Fc1cc(C(F)(F)F)ccc1-c1ccccc1OC(F)(F)F 1848363552 CGVYZNCABPCFKL-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CC#CCCCC[C@H](NCCC)c1scc(Cl)c1Cl 1885234408 BDOYMPJDONEPMG-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@@H](CN)C(C)C 1915292157 WIJGELLORMWITE-NRFANRHFSA-N 318.549 5.223 30 10 DKEE CCCCCCC[C@@](C)(O)C(=O)c1cccc(Cl)c1Cl 1919414791 AIYPYOFKEXXORV-MRXNPFEDSA-N 317.256 5.288 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccccc1C(C)C 1922064590 GDKSGTWPHIJUOQ-QFIPXVFZSA-N 323.480 5.234 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC2(CCC2)C1 1976301786 DTSDYCPBZSZCBV-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1sccc1Br 2005587609 YFLDBPYAEHXMEJ-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE CCC#CC[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2005839437 ZXGRJTKJMWAOHB-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE O=C(CC#CC1CCCCC1)c1scc(Cl)c1Cl 2035092393 UVZBFEYWTFFYLT-UHFFFAOYSA-N 301.238 5.211 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1ccc(Br)o1 2085855648 CUSVYLKKOAARKD-CYBMUJFWSA-N 314.267 5.219 30 10 DKEE C=C(C)CC[C@H](C)n1c(S)nc2ccc(Cl)c(Cl)c21 2103438846 OBRMVAAWFAPLCA-VIFPVBQESA-N 315.269 5.549 30 10 DKEE C=CCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2105120013 SIFXBWGLTRRKRP-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C=CC1(C[C@H](NCCC)c2ccccc2Br)CCC1 2111720230 PSKFXKQAVUEEGA-INIZCTEOSA-N 322.290 5.236 30 10 DKEE CCCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1OC 2139389305 YXBXCRAVTDTJMN-CYBMUJFWSA-N 304.261 5.362 30 10 DKEE N#Cc1ccc(NCc2cc3sccc3s2)c(Cl)c1 2140594187 QYBQQSGTDXUTBO-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](c1ccco1)c1ccc(Cl)s1 2152865725 QEHACLNVMVQHBK-LRDDRELGSA-N 309.862 5.418 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2cc(C(F)(F)F)cs2)C1 2161224842 DMXZDNRHLKVWBW-SMDDNHRTSA-N 304.377 5.095 30 10 DKEE C=CC1(Cn2c(S)nc3ccc(Cl)cc32)CCCCC1 2189598889 UCECGMMJRTZCJS-UHFFFAOYSA-N 306.862 5.115 30 10 DKEE CCCCCCCCCOc1nc(Cl)c(Cl)cc1Cl 2230984003 QZWUHAVMJQBSLE-UHFFFAOYSA-N 324.679 6.171 30 10 DKEE Cc1csc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)c1C 2234257090 XCIKJFKBBRYZGU-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE SCCCCCCCSc1cccc(Br)c1 2245901137 OICFYRVKOQABSI-UHFFFAOYSA-N 319.333 5.422 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(Br)c(Cl)c1 2250158665 KNDMHIJGYQBKGI-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE Cc1ccc(NN=Cc2ccc(-c3ccccc3Cl)o2)cc1 2321698340 IODGNSDRQFANPX-UHFFFAOYSA-N 310.784 5.354 30 10 DKEE CCOc1cc(C)c2c(c1)OC(=Cc1ccc(C(C)C)cc1)C2=O 2322274585 SYVVPBORTYVBGJ-UHFFFAOYSA-N 322.404 5.133 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1cc(Cl)c(Cl)s1 2338748280 AOLBVURWXNPMPH-AWEZNQCLSA-N 318.313 5.864 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1sc(Cl)cc1OC 2344386358 VYXSUDCJRZJBKA-LSDHHAIUSA-N 301.883 5.053 30 10 DKEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1CNCC(C)C 2360726202 ICQAJJQAJKVGKV-CQSZACIVSA-N 311.922 5.451 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2364096057 RXLGWPNRLLAJAH-QGZVFWFLSA-N 312.284 5.721 30 10 DKEE C=CCCC[C@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2366841665 HSHCBFJUULVSNR-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE CCCCCCCC[C@@](C)(N)c1csc(C(C)(C)F)n1 2367912649 TVARNPQYXTXNSS-MRXNPFEDSA-N 300.487 5.272 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(Cl)c(F)c1F 2370517504 BVSBOACGXJALBH-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE CC#CCCC[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377316055 QLGMUUDTEBOUJL-MRXNPFEDSA-N 316.247 5.367 30 10 DKEE CCCCC[C@@H]1CCC(c2ccc(-c3ccccc3)cc2)=CC1=O 3145585 GEADXAGKMPHSFP-OAQYLSRUSA-N 318.460 6.296 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 14551486 SFZZHWBEQQVHKU-UEXGIBASSA-N 303.405 5.078 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 83193762 WJAVWRDCXBQTGZ-ZHACJKMWSA-N 322.448 5.605 30 10 DKEE CCCCCCCOc1ccc(NC(=O)c2ccccc2)cc1 100155245 BJYMODCWIULPJN-UHFFFAOYSA-N 311.425 5.288 30 10 DKEE CCCCCCCC[C@H](N)Cc1ccc(Cl)cc1Cl 103930889 CGVZSNUGOFNTEI-HNNXBMFYSA-N 302.289 5.614 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)cc1[C@H](C)N 110096206 NCNGIFYCKBMUCY-HNNXBMFYSA-N 311.897 5.879 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(Cl)c(F)c1 110255631 UCOPGKZRGNNHCV-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCCC[C@H](N)c1c(Cl)cnn1CC 126237629 STZOXPYXRFBBHK-INIZCTEOSA-N 313.917 5.477 30 10 DKEE CCCCCCC[C@@H](NC)c1cccc(OC(F)(F)F)c1 164655708 POSOAMNNOKXWTB-OAHLLOKOSA-N 303.368 5.206 30 10 DKEE CCCCCCCCCCCCCc1cc(C(=O)OCC)no1 196449943 QZLHDXRWFSSDSJ-UHFFFAOYSA-N 323.477 5.705 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(Br)cc1Cl 236302788 SKFXURLBAFYYKN-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1cccc(Cl)c1Cl 387377846 IVFMLTHOEMUODX-LBPRGKRZSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H](C)OCc1ccccc1 404373699 XLTRDBYYNZKSFY-ICSRJNTNSA-N 305.506 5.320 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)cc1 406849977 XFSBHVMTWJQMKR-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE Fc1cc(C(F)(F)F)ccc1-c1ccc(C(F)(F)F)cc1 514260559 IQTRQEDIOFRDJY-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1NC[C@@H](C#N)C(C)(C)C 691057403 AFAOLDADAZLEHC-GOSISDBHSA-N 322.452 5.172 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1Nc1nc(Cl)c(Cl)cc1Cl 692234537 JWUXMVZGCBLLBZ-BXKDBHETSA-N 319.663 5.589 30 10 DKEE CC(C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698853816 URWWGPDZLGVERH-HNNXBMFYSA-N 322.836 5.020 30 10 DKEE C=CCC[C@H](C)Nc1cc(Cl)c(Br)cc1F 703821224 CAXFSLOUWJQMSB-QMMMGPOBSA-N 306.606 5.008 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccccc1OCc1ccccc1 715721427 ORNSLHINAUSIMC-PGRDOPGGSA-N 323.480 5.519 30 10 DKEE CC/C(=N\OCCCc1ccccc1)c1ccc2c(c1)CCCC2 821217147 CJESODBZQLIKQW-GHVJWSGMSA-N 321.464 5.329 30 10 DKEE CCCCCCC[C@@](C)(C(=O)O)N(CCC)Cc1ccccc1 1903770541 GNEZWIOOTACXEL-FQEVSTJZSA-N 319.489 5.102 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1sc(Br)cc1C 2000384371 HNDOPJAUUZEQTH-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE CCCCCCCCNCc1cc(C)c(Br)s1 2023693771 QEOQCCIYYBRYMT-UHFFFAOYSA-N 318.324 5.269 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1ccc(Cl)c(Cl)c1 2108213810 PGCWYCQGJDGGPH-GJZGRUSLSA-N 300.229 5.137 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(SC(F)(F)F)cc1 2164259765 HOXWEQIWXURTFG-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE CCCCC[C@H](CC)N(C)CCCCCCCCCS 2193696198 NHFCCKHDRONHIP-SFHVURJKSA-N 301.584 5.938 30 10 DKEE C=CCCCC[C@@H](O)c1c(C)cccc1NC(=O)OC(C)(C)C 2243566352 OYUGWIIZNDOZID-MRXNPFEDSA-N 319.445 5.122 30 10 DKEE O=C(C#CC1CCCCC1)c1ccc(OCc2ccccc2)cc1 2251444694 HXMLCDAASQHNNT-UHFFFAOYSA-N 318.416 5.032 30 10 DKEE CC(C)(C)C#CC=CCCC(=O)c1cccc(Br)c1 2268738301 UMFRPXKENGOQCL-UHFFFAOYSA-N 319.242 5.018 30 10 DKEE CCCCCCCCCCOc1cc(Cl)sc1CO 2272643218 JDKVCROTFYQPKI-UHFFFAOYSA-N 304.883 5.413 30 10 DKEE Cc1cc(C)c(C)c(C(=O)C=Cc2ccc(O)c(Cl)c2)c1C 2325795847 YHAWNGRQWRTJHF-UHFFFAOYSA-N 314.812 5.175 30 10 DKEE C=C1[C@H](O)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C=Cc1ccoc1 2333301288 RHCBUXSXDFNUAG-XFKSJGNHSA-N 300.442 5.062 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)c(Br)c1 2337115260 ZASKFKZVUNYDHT-CKEIUWERSA-N 322.290 5.153 30 10 DKEE C=CCC(CC=C)[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2364082970 IHCHETYNYVHXSG-AWEZNQCLSA-N 303.755 5.127 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2364547185 DNTHKAVUTHOCLW-INIZCTEOSA-N 316.316 6.313 30 10 DKEE C=CC[C@H]1CCC[C@H]1NCCCc1cc(Cl)cc(Cl)c1 2366831818 BKMMNRXRJVNDLL-WMLDXEAASA-N 312.284 5.260 30 10 DKEE N#Cc1ccc(Cl)cc1N[C@@H](c1ccc(Cl)cc1)C1CC1 37277888 VDRSAJYGBXOTHJ-QGZVFWFLSA-N 317.219 5.428 30 10 DKEE CCC(CC)c1nc2cc(Cl)c(Cl)cc2n1C[C@H](C)C#N 57804985 SCGNXSNVTVLRSP-SNVBAGLBSA-N 324.255 5.406 30 10 DKEE CCCSc1ccc(Cl)cc1-c1csc(CC#N)n1 76541229 KUSYONLSLKCHLF-UHFFFAOYSA-N 308.859 5.032 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 80142141 RHKZLZWRCCBQOE-POZUXBRTSA-N 301.499 5.591 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)CC1 86955313 XCGBDOMNYWCOPR-CABCVRRESA-N 304.865 5.619 30 10 DKEE CCCCCCCNCCOc1ccc(C(C)(C)CC)cc1 100027400 ADXQGQXIDIDEFK-UHFFFAOYSA-N 305.506 5.313 30 10 DKEE CCCCCCCCCCCCN[C@@H](C)Cc1cccs1 110169922 RFXFAEMJFATKJB-SFHVURJKSA-N 309.563 6.190 30 10 DKEE CCCCCCCC[C@H](NN)c1cc2cc(Cl)ccc2o1 124995668 JHZBHWOYDCMYGL-HNNXBMFYSA-N 308.853 5.341 30 10 DKEE CCCCCCCCCCCC[C@H](CSC(C)(C)C)NN 126605079 GUKLZPZXNICZOV-QGZVFWFLSA-N 316.599 5.661 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2cc(Cl)ccc2F)CC1 165710832 XEGPFLFWJNIUFK-PTXATLKXSA-N 309.812 5.013 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)c(OC)cc1Cl 166795406 DXVQRCJOJTZQIB-UHFFFAOYSA-N 303.229 5.545 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(Br)c(Cl)c1 229741103 ZYVJSAHIHICCPY-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C#C[C@@H](CCC)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 229908411 NBCSKYWRKZJXDD-UWVGGRQHSA-N 304.648 5.099 30 10 DKEE C=CC[C@@H](CC)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 393785906 XSJGZSVWBONOMV-NXEZZACHSA-N 306.664 5.652 30 10 DKEE CC(C)C[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)C1 698359094 MAKCJGQQWZLCMB-VQIMIIECSA-N 322.493 5.131 30 10 DKEE CCCCCCCCNC(=O)[C@@H](c1ccc(C)cc1)C(C)C 1868200073 LCCHRUPQSKOGJK-LJQANCHMSA-N 303.490 5.211 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CCCC2)C1 1916403052 VDOCZODRTMRMAM-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCCCCCC[C@]1(O)CC(C)(C)[C@@H]1OCc1ccccc1 1939580686 XMJPOROLNUOCCA-FPOVZHCZSA-N 318.501 5.483 30 10 DKEE C=CCCCCCCOc1ccc(Br)c(F)c1 2026016437 DDJONDXTQPRKDR-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc(Br)co1 2085839592 PNJCYONZZIFINM-CQSZACIVSA-N 314.267 5.219 30 10 DKEE C=CCCCCCC[C@H](NC)c1c(C)cccc1Br 2141905958 QBKDZJDFTUUVQS-INIZCTEOSA-N 324.306 5.545 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccc(Br)cc1 2142439473 AWFFDNLJMWKXHW-QGZVFWFLSA-N 324.306 5.756 30 10 DKEE C=C([C@@H](NCCC)[C@@]1(C)CCCCC1(F)F)[Si](C)(C)C 2167949886 LQLNUZQGUTWNLT-HUUCEWRRSA-N 303.513 5.004 30 10 DKEE CCCC(CS)(CCC)CN1CCC[C@@H]1c1cccs1 2169970492 OXHUNXIZFIRKDC-OAHLLOKOSA-N 311.560 5.401 30 10 DKEE C#CCCCC[C@@H](NCCC)c1cscc1C(F)(F)F 2173466831 QGAVVBXMRDHEBF-CQSZACIVSA-N 303.393 5.001 30 10 DKEE CCCCCCCCCCN1CCC[C@]1(C)P(C)(C)=O 2195687674 LVKQSBVUXZKNPZ-KRWDZBQOSA-N 301.455 5.562 30 10 DKEE CCCc1ccc(C#C[C@H](N)c2cc(Cl)sc2Cl)cc1 2239646504 MHHSKNVZVIZNFN-AWEZNQCLSA-N 324.276 5.059 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)cc(F)c1Cl 2239674702 DCAFJLALIXLMMU-UHFFFAOYSA-N 319.247 6.456 30 10 DKEE C=C(C)CCCCC(=O)c1scc(Br)c1Cl 2244622390 QVIYHNJACPAWAN-UHFFFAOYSA-N 321.667 5.483 30 10 DKEE Cc1cc(N=C2N[C@@](C)(C(C)C)CS2)c(Cl)cc1Cl 2277494645 BLSYWTROJIAGHH-CQSZACIVSA-N 317.285 5.040 30 10 DKEE C=CCCCCCCCSCc1ccc(C#N)cc1Cl 2287194950 VYEINAZRSWHFFJ-UHFFFAOYSA-N 307.890 5.971 30 10 DKEE C=C(C)CCCCOc1c(Cl)cc(Cl)cc1CNCC 2287470774 UTPNOPRTYWJYQH-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE CCCCCCCCOc1c(Cl)cc(CNC)cc1Cl 2296258636 YVKPNVNHVDGVED-UHFFFAOYSA-N 318.288 5.452 30 10 DKEE C=Cc1ccc(C(=O)C=Cc2ccc(N(CC)CC)cc2)cc1 2296750195 UQJRREYUUZBDTE-UHFFFAOYSA-N 305.421 5.072 30 10 DKEE CCCCc1ccc(N=CC=C(O)c2ccc(OC)cc2)cc1 2297451457 DIMBTYZUFNUBLH-UHFFFAOYSA-N 309.409 5.339 30 10 DKEE CCCCCCCCC=CCC=CCC=CCCCC(=O)OC 2297731999 AESHPAQQBZWZMS-UHFFFAOYSA-N 320.517 6.529 30 10 DKEE CCC[C@H](OCCCB1OC(C)(C)C(C)(C)O1)c1ccccc1 2302035079 XCSJXOPSRBRVJN-KRWDZBQOSA-N 318.266 5.027 30 10 DKEE CC1CCC(C#N)(Cc2cc(F)c(Cl)cc2Cl)CC1 2349883178 SULBKKOAOJQEOU-UHFFFAOYSA-N 300.204 5.395 30 10 DKEE CCCCCCCCC[C@H](N)c1c(Cl)cc(F)cc1Cl 2360434382 QTDWZBBSQAKOIR-HNNXBMFYSA-N 320.279 6.273 30 10 DKEE C=CCCC[C@@H](OCCCN)c1ccc(Cl)c(Cl)c1C 2366101864 WRXMURDEGOUEQO-OAHLLOKOSA-N 316.272 5.065 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccsc1C(F)(F)F 2370522198 OOCIKGCSCRNFAC-GXTWGEPZSA-N 305.409 5.410 30 10 DKEE CCCCCCCCCCCn1c(C)nc2cc(C)c(C)cc21 101304688 CRMVAJCRWUUMIY-UHFFFAOYSA-N 314.517 6.492 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccc(F)c(Cl)c1 109749661 PYDORWDQYJRKCG-GOSISDBHSA-N 313.888 6.270 30 10 DKEE C[C@H](N[C@@H](C)c1ccc(C#N)s1)c1ccc2ccccc2c1 134663375 SYNREYZHSWYLAF-KBPBESRZSA-N 306.434 5.185 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 233608415 BPGZSIYUFBILDT-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE CCCCCCCN(Cc1ccc(F)cc1)c1ccccn1 257640953 PGSHZTKKBFWLOK-UHFFFAOYSA-N 300.421 5.198 30 10 DKEE CC(C)(C#N)CCCCN(Cc1ccccc1)Cc1ccccc1 306677727 ZRPOAMPJDCZICF-UHFFFAOYSA-N 320.480 5.409 30 10 DKEE CC(C)(C#N)CCCCSc1cc(Cl)cc(Cl)c1 310691008 QMBNEKABFQSKGP-UHFFFAOYSA-N 302.270 5.806 30 10 DKEE N#C[C@H](CSc1ccccc1Br)C1CCCCC1 397312230 OITITAMCGJYANX-CYBMUJFWSA-N 324.287 5.261 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 398135330 XOPUZEWQIIZDCE-MOPGFXCFSA-N 323.480 5.661 30 10 DKEE C#CCCCCC[C@H](NCC)c1cc(Cl)sc1Cl 686689888 WHQQNGYUWUFKHD-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)c2ccsc2S1 695767774 FYEKSBCLZUJQJP-XPTSAGLGSA-N 320.870 5.311 30 10 DKEE C=CCC[C@H](C)Nc1ccc(NC(=O)OC(C)(C)C)cc1Cl 697295747 LZRASYDZIXYRJR-LBPRGKRZSA-N 324.852 5.454 30 10 DKEE CC1(C)CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698372094 AJUUTDOMAAYWIQ-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)C1(C)CCCCCC1 698836482 BNVYVFVVMSJWFE-INIZCTEOSA-N 322.493 5.132 30 10 DKEE CCCCCCCNCc1cc(Cl)ccc1Br 703756971 QGGXJFSHIRMWRM-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE C=C1CCC(C[C@H](O)c2cc(C)c(Br)c(C)c2)CC1 724556368 NAECZAYQMDBKLB-INIZCTEOSA-N 323.274 5.236 30 10 DKEE Cc1ccc(O)c(N=Cc2ccc(OCc3ccccc3)cc2)c1 1084044954 MNNDHHBAVFEYJA-UHFFFAOYSA-N 317.388 5.030 30 10 DKEE Cc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)s1 1084391418 IXPPMRBNJOKKQP-UHFFFAOYSA-N 319.644 5.463 30 10 DKEE CC(C)(C)c1ccc(C#Cc2cc(Cl)ccc2Cl)cc1 1614827204 PXKYYKGTGCTAIH-UHFFFAOYSA-N 303.232 5.691 30 10 DKEE C[C@@H](N(Cc1ccccc1)[C@@H](CC#N)c1ccccc1)C(C)(C)C 1946839113 JVGKAYDYMMLSSH-NQIIRXRSSA-N 320.480 5.578 30 10 DKEE CC[C@H]1CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1977419027 AULSKZZNEQNAQA-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C=CCCCCC[S@](=N)(=O)c1ccc(Cl)c(Cl)c1 2073737548 BIMDJMBKSZBWJW-SFHVURJKSA-N 306.258 5.145 30 10 DKEE C=CCCCCCCCCCC(=O)[C@H]1CSCCS1 2142441386 LUPQPMKUZBOIND-MRXNPFEDSA-N 300.533 5.101 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccsc1C(F)(F)F 2173632712 FOUNNJZUBBQFAM-CQSZACIVSA-N 301.377 5.420 30 10 DKEE O=C[C@@]1(Cc2cc(Cl)ccc2Cl)CCCCC12CCC2 2173679468 ZQNZAGUAWXXYFB-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE C#CC[C@@H](C)C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2196720370 TVGBLDZMCJOJAY-IUODEOHRSA-N 304.842 5.151 30 10 DKEE CCCCCCCCCCCCn1ccnc1Br 2220485792 WLAAIJCLXBVGFE-UHFFFAOYSA-N 315.299 5.567 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)cc(Cl)c1Cl 2227307387 VEZUWDUCHCAZMG-AWEZNQCLSA-N 323.691 6.431 30 10 DKEE CC1(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)CCCCC1 2235758473 SLCJTSXSOBPPSZ-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE C=CCC[C@H](C)NCc1cc(Br)cc(C(C)C)c1 2254743479 HXBHYECCLMPTNP-ZDUSSCGKSA-N 310.279 5.017 30 10 DKEE C#CCCCC[C@H](NC)c1cc(Br)cc(C(C)C)c1 2265948374 WATFAHRSHYXHIV-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2268758638 IKGMKMYTRVSKJT-GFCCVEGCSA-N 316.297 5.311 30 10 DKEE C[C@H](Nc1c(Br)cccc1C#N)C1(C)CCCCC1 2269701227 HCZGATBTQMEHBM-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=CCCCCCCCCNc1c(F)cc(Cl)cc1F 2281587511 NUERCYKUDXIXAR-UHFFFAOYSA-N 301.808 5.947 30 10 DKEE CC(=NOCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 2330458564 KSDWMWXYHVPSPU-UHFFFAOYSA-N 319.379 5.434 30 10 DKEE C=CCC(CC=C)Sc1c([N+](=O)[O-])ccc(Cl)c1Cl 2335180165 HCFZNZDAZRGBFR-UHFFFAOYSA-N 318.225 5.515 30 10 DKEE Cc1ccc(/N=C/c2ccccc2Cl)cc1Br 59458999 NEIORWMWMFXZBI-RQZCQDPDSA-N 308.606 5.162 30 10 DKEE Cc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 59508058 ROUBXFOSFAPMNL-RQZCQDPDSA-N 308.606 5.162 30 10 DKEE CCCCCCCOc1ccc([C@@H](CC)NCCCC)cc1 100047576 HCXQGBAIFJBAMM-HXUWFJFHSA-N 305.506 5.877 30 10 DKEE CCCCCCCCNCc1cccc(OC)c1OCC(C)C 100048733 XTNPKFQJDOHWMD-UHFFFAOYSA-N 321.505 5.180 30 10 DKEE CCCCCCCCCC#CCCCCCO[C@@H]1CCCCO1 207139293 JKVODHNMFHWMOZ-NRFANRHFSA-N 322.533 6.234 30 10 DKEE CCCCCCCOc1cc(Br)cc(F)c1F 219896730 YBRFISYCZDSAQP-UHFFFAOYSA-N 307.178 5.077 30 10 DKEE C=CCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 234426623 ZJVHYRQDDNYFBF-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE C=CCc1ccccc1N(Cc1ccccc1)C(=O)OC(C)(C)C 238134404 PBUPLHMAWYVGFK-UHFFFAOYSA-N 323.436 5.357 30 10 DKEE Clc1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1 254556151 DIQHQXYGHJDJAU-UHFFFAOYSA-N 321.807 5.670 30 10 DKEE N#Cc1ccnc(Sc2cc(Cl)cc(Cl)c2)c1Cl 385365546 MCWSKLSLRHKNSA-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE N#C[C@@H](CNc1cc(Cl)c(Cl)cc1Cl)C1CCCC1 397168439 ALOUVUDLJAWCAP-JTQLQIEISA-N 317.647 5.389 30 10 DKEE CCCCCCC[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 406076475 RAXPZBPHZVOIOY-CQSZACIVSA-N 308.771 5.753 30 10 DKEE CCCCCCC[C@@H](C)Nc1cccc(Br)c1F 689217881 RKOVMQPLECGLIK-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE CCCCCCCN[C@H]1CCOc2c(Cl)cc(Cl)cc21 703739766 PGIOHVDDRHVUMO-HNNXBMFYSA-N 316.272 5.377 30 10 DKEE C=CCC[C@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712559964 CYYMERBRAKDTDC-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE CCC[C@@H](C#N)[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921049229 LUQMWLTZLSXQJU-LRDDRELGSA-N 305.830 5.042 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(Br)sc1C 2026023244 DDWYGWYSKVZTPZ-CYBMUJFWSA-N 317.292 5.379 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(C)c(Br)c1C 2059121910 ZYNGKFNPBVNHDJ-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2cc(Cl)c(Cl)s2)C1 2112242339 GNGKLJUUDCKFSN-SMDDNHRTSA-N 318.269 5.198 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1c(Cl)cccc1Cl 2141912504 YYLKTQQMGPSQNZ-MRXNPFEDSA-N 300.273 5.694 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2ccsc2C(F)(F)F)C1 2157671805 RRYFHUHVNMHQLT-SMDDNHRTSA-N 304.377 5.095 30 10 DKEE C=C1C[C@@H]1C[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164167815 GUUYOXYEWYDSFI-UKRRQHHQSA-N 303.858 5.295 30 10 DKEE CCCCCCCC[C@@H](NC)[C@H](O)c1cc(C)c(Cl)s1 2165432819 RNIOWYWTAXIHTN-HIFRSBDPSA-N 317.926 5.082 30 10 DKEE CCCCCC#CC[C@H](O)c1cc(-c2cccs2)cs1 2203783366 LDNDTNZFEUUFFL-HNNXBMFYSA-N 304.480 5.484 30 10 DKEE C=CCCCCCCCN(C)C1CC(OCc2ccccc2)C1 2211145322 ICRLRDIOQYYPCT-UHFFFAOYSA-N 315.501 5.193 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1ccc(Cl)cc1Cl 2231483209 JVTMLGICUFUEMU-OLZOCXBDSA-N 300.273 5.116 30 10 DKEE CC1CC(CS)(CSc2cc(Cl)cc(Cl)c2)C1 2246841993 KZESVZJOOXFEBK-UHFFFAOYSA-N 307.311 5.432 30 10 DKEE CCCCCCCCC[C@H](N)c1sc(Cl)cc1OC 2278334008 YQRBIEDPXPICQT-LBPRGKRZSA-N 303.899 5.551 30 10 DKEE CCCCCCCCCCCC[C@H](O)C1CC(SC)C1 2284141646 JCQKWZHSFDIAHI-ABHNRTSZSA-N 300.552 5.800 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](SCC2CC(C(F)(F)F)C2)C1 2287328162 HFDNJOKVMHJPOU-DAPSFBBPSA-N 305.409 5.027 30 10 DKEE CCSc1ccc(Cl)cc1C(=O)C=Cc1ccc(F)cc1 2295967923 LOXBLQNKWLKKRC-UHFFFAOYSA-N 320.816 5.487 30 10 DKEE CC(C)(C)c1ccc(O)c(N=CC=Cc2ccc([N+](=O)[O-])cc2)c1 2297203023 NMCSXHZHGHKSNX-UHFFFAOYSA-N 324.380 5.014 30 10 DKEE C=CCC(CC=C)C(=O)c1cccc(Cl)c1Br 2301054902 HXJLVLHLMYPFNN-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1scc(Br)c1C 2304046304 PBIWYFLSQLBBOB-KGLIPLIRSA-N 316.308 5.072 30 10 DKEE CC(C)=C1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O 2313652941 NWHGLVFSMBKWMI-SZVRBWLDSA-N 314.513 5.935 30 10 DKEE C=CCC(CC=C)S[C@H](C)C(=O)c1ccc(Cl)s1 2313705266 RVGYRINEDDJHQY-SNVBAGLBSA-N 300.876 5.227 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cccc(Br)c1 2321134067 LJUZUYUPOMCIBP-CVEARBPZSA-N 310.279 5.092 30 10 DKEE Cc1ccc(C#N)c(NCc2ccc(Cl)c(Cl)c2C)c1 2364503329 JLCJURSSQRAMGW-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE Cc1cccn2c(CC#N)c(-c3ccc(-c4ccccc4)cc3)nc12 31921798 DRIPVOOZECVNLD-UHFFFAOYSA-N 323.399 5.043 30 10 DKEE O=C1/C(=C\c2cccs2)[C@@H](c2cccs2)Oc2ccccc21 33293620 LVBBZMHMACEVDZ-BJRSVTDJSA-N 324.426 5.210 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(OC)cc1Cl 59332709 MPZMMFKUKPDKKW-GOSISDBHSA-N 311.897 5.750 30 10 DKEE CCCCCCCCNCc1cccc(OCCCCC)c1 100048799 OJQNUEBRLPGCIG-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE Cc1ccc(C)c(C(=O)/C=C\Nc2ccc(Cl)c(Cl)c2)c1 103031016 QTRPBAHIKGWVRF-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE CCCCCCCCCCN[C@@H]1CCc2sc(Cl)cc21 123424888 RKEAVHYXMRIGSQ-OAHLLOKOSA-N 313.938 6.119 30 10 DKEE CCCCCCCC[C@@H](NCC)c1c(Cl)cnn1CCC 127504833 VVDXUULAUJWMNL-MRXNPFEDSA-N 313.917 5.348 30 10 DKEE CCCCCCCCC[C@H](O)c1cc2cccc(Cl)c2o1 159630633 VQJYGSPRBMRKAX-INIZCTEOSA-N 308.849 6.260 30 10 DKEE CCSc1cccc(N[C@H](CC)C2CCCCC2)c1C#N 167593883 NHHSYIJCXBINPZ-MRXNPFEDSA-N 302.487 5.441 30 10 DKEE CCn1cc(/C=N/Nc2ccc(C)c(Cl)c2)c2ccccc21 169879589 SWXJVUGLBXEYDV-RGVLZGJSSA-N 311.816 5.069 30 10 DKEE O=C1C(=C2SCCCS2)CC/C1=C/C=C/c1ccccc1 212041560 KWBQJNTZNQPXIW-ZYENNSECSA-N 314.475 5.071 30 10 DKEE CCCCCCCCC(=O)c1cccc(Br)c1F 232924588 JNXMAXWYJFMCKF-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE Cc1cc(Oc2ccccc2)cc(-c2ccc(N)c(C#N)c2C)c1 248012388 ZLVOJRZLKUAZCF-UHFFFAOYSA-N 314.388 5.217 30 10 DKEE CCCSC1CCN(CCCCCCCCCS)CC1 394771664 FVGICVCCODFJFK-UHFFFAOYSA-N 317.608 5.255 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1ccc(C(F)(F)F)cc1Cl 695859122 LQGJSUKSOYRPOL-SECBINFHSA-N 304.743 5.099 30 10 DKEE CCCCCCCn1c(S)nc2cc(Cl)c(Cl)cc21 703734792 OTLTVNGIIQXEPN-UHFFFAOYSA-N 317.285 5.602 30 10 DKEE C=C1CCC(CNc2ccc(Cl)cc2C(F)(F)F)CC1 724565422 FGXRRXHTTGOUAT-UHFFFAOYSA-N 303.755 5.517 30 10 DKEE CCCCCCCSc1nc(-c2cccc(OC)c2)cs1 1860804006 ISHUFSUEDQBNSK-UHFFFAOYSA-N 321.511 5.881 30 10 DKEE CC1(C)CCC[C@](C)(Nc2ccc(C#N)cc2Br)C1 1877823464 PFUNFYMVZWMLQE-INIZCTEOSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[S@@](=N)(=O)c1ccc(F)c(Cl)c1 1917911545 MHIQXVPBPDLGRF-LJQANCHMSA-N 305.846 5.245 30 10 DKEE SCC1(CN(Cc2ccccc2)C2CCC2)CCCCCC1 1932000186 KHKLHMWGOJFPFD-UHFFFAOYSA-N 317.542 5.312 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Br)sc1C 1946684928 JPINSXFANGVRAC-HZMBPMFUSA-N 316.308 5.072 30 10 DKEE CCCCCCCC[C@@]1(N)CCCCN(Cc2ccccc2)C1 1980543225 WHBWIXUEXXXSKS-OAQYLSRUSA-N 316.533 5.121 30 10 DKEE C=CCC[C@H](NCCC)c1cccc(Cl)c1Br 2000389553 DZJYLUFIEZJYLR-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE CCc1cc(Br)c(C(=O)C2=CC[C@@H](C)CC2)s1 2010607552 BCCLKZPLVCOABP-SECBINFHSA-N 313.260 5.002 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(C)ccc1Br 2102111697 OFQZERIVDJCRHQ-WMLDXEAASA-N 324.306 5.401 30 10 DKEE CC[C@H]1CCC[C@@H](Nc2cc(Br)cc(C#N)c2)CC1 2103205031 HIZFOQKYTNWQIE-SWLSCSKDSA-N 321.262 5.092 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(F)c(Cl)cc1Cl 2138944536 FLAJWTTXWNTWGH-ZANVPECISA-N 301.192 5.017 30 10 DKEE C=C([C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1)[Si](C)(C)C 2164008537 IVKMSIPODKSVHI-MRXNPFEDSA-N 321.949 5.502 30 10 DKEE C=C(c1ccccc1)[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 2197152000 RBUDLZABUZXAMV-MRXNPFEDSA-N 311.183 5.053 30 10 DKEE C=CCCCCCCCN[C@@H](C)c1ccc(Cl)cc1Cl 2235524848 USYLJHNFLYHVLN-AWEZNQCLSA-N 314.300 6.171 30 10 DKEE FC1(F)CCCC[C@H]1CSC[C@H](CS)c1ccccc1 2283149190 VEKKIBAJISHSMF-GJZGRUSLSA-N 316.482 5.259 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(Br)cc1CC 2344347753 DWDMEMVIHORDKP-IAGOWNOFSA-N 324.306 5.264 30 10 DKEE C=C1CC(CNC(C)C)(Cc2cc(F)c(Cl)cc2Cl)C1 2377400331 DEUCOSBTJCEQHI-UHFFFAOYSA-N 316.247 5.009 30 10 DKEE O=C(/C=C\c1ccccc1)/C=C\c1ccc(Cl)cc1Cl 33644685 GBJHNPAIDVVEIQ-XNFNPUBGSA-N 303.188 5.289 30 10 DKEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)s1 36922243 JQGTWXOZRWDWGD-LLVKDONJSA-N 304.846 5.376 30 10 DKEE CC[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cccc(Cl)c1 36973308 XEMYXSUYCNNCRA-MRXNPFEDSA-N 305.208 5.428 30 10 DKEE CCCCCCCCNc1ccc(-c2csc(C)n2)cc1 59090697 JLMSYTYAZXYDGY-UHFFFAOYSA-N 302.487 5.891 30 10 DKEE COc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(Cl)c1Cl 83194136 GHBLKHCXSKKTIV-VQHVLOKHSA-N 321.203 5.207 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Br)s1 109322354 QZTIHZSBZQQDAV-NSHDSACASA-N 304.297 5.132 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(F)cc1Cl 109714661 KOIXKQFHHVJTIP-KRWDZBQOSA-N 300.845 6.043 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(F)c(Cl)c1 109900880 DOYOYMXICGQBRA-GFCCVEGCSA-N 321.848 5.930 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(F)cc1Cl)NCCC 112899304 NLDHNMDVOYTBDK-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Br)cc1Cl 158098803 RVHROBKQNWFVFP-AWEZNQCLSA-N 318.686 5.463 30 10 DKEE CCc1ccccc1C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 161934113 LKJWDMDFNPYXQZ-OAHLLOKOSA-N 318.203 5.046 30 10 DKEE C(#Cc1cc2ccccc2s1)c1ccc(-c2ccccc2)s1 166952894 PMSSJWUJPHHSSG-UHFFFAOYSA-N 316.450 6.030 30 10 DKEE CCCCCCCCCCOc1cc(F)c(N)cc1Cl 312260155 OFYARLDXPTUXDM-UHFFFAOYSA-N 301.833 5.581 30 10 DKEE C=C(CC)C[C@H](NCCC)c1c(C)cccc1Br 386688318 ZMKBXNYGALAOMJ-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1c(Cl)cccc1Cl 387388039 JWKMDPVWINJBOB-LBPRGKRZSA-N 300.273 5.116 30 10 DKEE C=C(CC)CC(=O)c1cc(CC)ccc1NC(=O)OC(C)(C)C 405826548 JWFKOPNJNVUTTM-UHFFFAOYSA-N 317.429 5.135 30 10 DKEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698853213 GVRKHYMJNGICKV-IBGZPJMESA-N 322.493 5.419 30 10 DKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCC(C(C)(C)C)CC1 698963398 ICZQCIXHLTUPTO-UHFFFAOYSA-N 322.493 5.132 30 10 DKEE CCCCCCCCN1Cc2ccc(Br)cc2C1 707915138 GIXUTZIXIXDRGT-UHFFFAOYSA-N 310.279 5.125 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1cccc2ccccc12 710796924 RPRFYKNSIAGOOU-SFHVURJKSA-N 324.424 5.050 30 10 DKEE C=CCCCCCC(=O)c1c(Cl)cccc1C(F)(F)F 712524653 CJEXVBCNILTFCP-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE C=C1CCC(CNc2cc(Br)c(F)cc2C)CC1 724549934 SOAWPCOHIUPMCP-UHFFFAOYSA-N 312.226 5.055 30 10 DKEE COc1ccc(/C=N/c2cccc(/C(C)=N\c3ccco3)c2)cc1 1616045708 GHXGYDRHHYDBMV-TZKOODLUSA-N 318.376 5.180 30 10 DKEE CCOc1ccc(Cl)cc1/C=C/C(=O)c1ccc(CC)cc1 1874572660 YVEGSKVWBZHQRU-PKNBQFBNSA-N 314.812 5.197 30 10 DKEE CCCCCCC[S@@](=N)(=O)c1cc(Cl)ccc1Cl 1917918431 PHEFMUGFJYOISV-GOSISDBHSA-N 308.274 5.369 30 10 DKEE C[C@H](Nc1cccc(Br)c1C#N)C1(C)CCCCC1 2101376756 XJHFGXJDDIHSMX-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=CCCCCCC[C@@H](NN)c1ccc(Cl)cc1Cl 2141914456 RNYIUQNNESWJIC-OAHLLOKOSA-N 301.261 5.024 30 10 DKEE CCc1cscc1C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 2153584782 OPEDKNZCOAGEOK-SNVBAGLBSA-N 324.232 5.107 30 10 DKEE CCCc1c(-c2cc3sc(C)cc3s2)sc(C#N)c1N 2156530393 ZVMPZGHBODKWCK-UHFFFAOYSA-N 318.492 5.406 30 10 DKEE C=CCCCC[C@H](O)c1ccc(-c2ccccc2Cl)s1 2179703380 LBLHEEUTKFNEKG-HNNXBMFYSA-N 306.858 5.848 30 10 DKEE CCCCCCCCCCCCOCC(C)=CBr 2223234789 OZLJWNKIIQIOSM-UHFFFAOYSA-N 319.327 6.223 30 10 DKEE N#Cc1ccc(OCCCCCCC2CC2)c(Br)c1 2225780461 AYLUBAVVQAHLRD-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1ccc(Cl)cc1Cl 2235531602 ASXIHUKDNZTADQ-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE C=CCCCCCCC[C@H](NCC)C(F)(F)C(F)(F)F 2235542124 OXZCAMOMJJHWRT-LBPRGKRZSA-N 301.343 5.079 30 10 DKEE C=C(C)CCCC[C@@H](O)c1c(Cl)cccc1Br 2250162530 DEEHVPYRWDWTOC-CYBMUJFWSA-N 317.654 5.272 30 10 DKEE Cc1cc(Br)ccc1S[C@@H]1CCCCC[C@H]1C#N 2256883671 ZDTCKYIGNMYBBJ-SWLSCSKDSA-N 324.287 5.322 30 10 DKEE C=CCCCCCC(=O)c1cc(Br)cc(C(C)C)c1 2266009488 DMTUATMJOXEDMI-UHFFFAOYSA-N 323.274 5.892 30 10 DKEE O[C@@H](CC#CC1CCCC1)c1cc(-c2cccs2)cs1 2289924482 KNQPCCLQRYMHHI-HNNXBMFYSA-N 302.464 5.094 30 10 DKEE Cc1ccccc1CON=C(c1ccc(OC(C)C)cc1)C1CC1 2330330415 CUPDTQISBPXSPN-UHFFFAOYSA-N 323.436 5.113 30 10 DKEE C=CC[C@H](C)SC[C@H](NCC)c1ccc(Cl)c(Cl)c1 2335103052 GMYDWSHYFJAVQR-NHYWBVRUSA-N 318.313 5.342 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1cccc(Br)c1 2337093275 CMIOZMLOAYCGNF-COXVUDFISA-N 322.290 5.235 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)c(C(F)F)s1 2345156404 WUGDWQKNPJGIJU-TZMCWYRMSA-N 307.837 5.592 30 10 DKEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1CNC(C)(C)C 2360730075 DTFZLLRIGABNPT-ZDUSSCGKSA-N 311.922 5.593 30 10 DKEE O=C(/C=C\c1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 33388553 YHFXVZDDZVJFAN-ZROIWOOFSA-N 318.803 5.903 30 10 DKEE C=C1CCCC[C@H]1N(Sc1ccccc1)C(=O)OC(C)(C)C 34533013 WFNSVMJXVVWTGC-MRXNPFEDSA-N 319.470 5.430 30 10 DKEE N#Cc1c(Cl)cccc1Sc1cc(Cl)ccc1Cl 70138436 LSJROKLLXPHOEQ-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE SCC1(CSc2ccc(Br)cc2)CCCC1 87096700 SCNQFSCVTPLMQE-UHFFFAOYSA-N 317.317 5.031 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(C)c(C(F)(F)F)c1 109940333 XTPFDRQCHQFQHQ-AWEZNQCLSA-N 301.396 6.175 30 10 DKEE CC(C)(C#N)c1ccc(N[C@@H]2CCc3sc(Cl)cc32)cc1 123241422 PJBWDNJEXMIYNL-CQSZACIVSA-N 316.857 5.302 30 10 DKEE CCCCCCCCCCSc1cc(OCC)ccc1N 124220986 VCGLGULTXKWGGL-UHFFFAOYSA-N 309.519 5.900 30 10 DKEE CCCCCCCC[C@H](N)c1cc(C(F)(F)F)ccc1F 125326156 KXMHPYZSUIHSPT-HNNXBMFYSA-N 305.359 5.595 30 10 DKEE CCCCCCC[C@H](NC)c1sccc1Br 128384693 XRJCEGFQWPFNGV-LBPRGKRZSA-N 304.297 5.132 30 10 DKEE CC[C@@H](N[C@@H](C)c1ccc(C#N)s1)c1ccc(Cl)cc1 134722794 MEXBWIYAFUWPPU-XHDPSFHLSA-N 304.846 5.075 30 10 DKEE CCCCCCCCCCC(=O)[C@H]1SCCS[C@@H]1C 135669143 APCFQHUIXSVHAU-ZBFHGGJFSA-N 302.549 5.323 30 10 DKEE CCCCCCC/C=C\CCCCCCCCCCCC(=O)O 137549139 BGFFHXSFFMDHSZ-HJWRWDBZSA-N 324.549 7.279 30 10 DKEE C=CCSc1ccccc1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C 218092739 GVUHZOVDZAYVGR-NUJGCVRESA-N 303.515 5.837 30 10 DKEE CCCCCCC[C@H](NCC)c1ccoc1Br 232931818 YXCJJPNQPMXURD-ZDUSSCGKSA-N 302.256 5.053 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)ccc1Cl 379904658 HPVPHDDYLDKVDQ-INIZCTEOSA-N 312.284 5.474 30 10 DKEE C=CCCCCC[C@H](NC)c1cccc(OCc2ccccc2)c1 382735213 IQYFYXFRNSHRFW-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE CCCCCCCC[C@@H](CCOCc1ccccc1)NCC 395557046 ILDSODKUVZMZDY-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE CCCCCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 405625137 QGTFEDOFRRSNJS-UHFFFAOYSA-N 319.445 5.577 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698375733 JVWXZHPHCVUZAX-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 722130974 ZRVWBSUJFUCVSQ-QGZVFWFLSA-N 316.316 5.875 30 10 DKEE C[C@](C=O)(CCc1cc(Cl)cc(Cl)c1)c1ccccc1 722137281 DISPTQAAZRCYJC-QGZVFWFLSA-N 307.220 5.083 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccccc2OC(F)(F)F)cc1 1614730641 CMLFFTLOTSAATK-UHFFFAOYSA-N 318.338 5.283 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(OCc2ccccc2)cc1 1903202825 PWBCLLLOPAEZJL-SFTDATJTSA-N 310.437 5.291 30 10 DKEE C[C@@H](N(Cc1ccccc1)CC1(CS)CCCC1)C(C)(C)C 1931998649 NULGVAQJWOTZJQ-QGZVFWFLSA-N 319.558 5.413 30 10 DKEE C=CC[C@H](CC)N[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1935997145 DDNSJLRDRWLEAO-ZBFHGGJFSA-N 318.461 5.039 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)C1CCCCC1 1938420707 LVWGRLQKSQXYJE-MRXNPFEDSA-N 322.493 5.131 30 10 DKEE CCc1ccc(C#N)c(Sc2ccccc2Br)c1 2068516479 RMZCBCOIWOETLH-UHFFFAOYSA-N 318.239 5.034 30 10 DKEE C=CCCCCCCNc1cc(C)cc(Br)c1F 2085844864 QTBWDCPCLKNXRN-UHFFFAOYSA-N 314.242 5.445 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2scc(Cl)c2Cl)CC1 2125181500 UBMACYZWDHXBCJ-SNVBAGLBSA-N 317.281 6.010 30 10 DKEE CCCN[C@H](CC#CC1CCCCC1)c1cc(Cl)cs1 2158612401 YBQSDQCYRRUAIY-MRXNPFEDSA-N 309.906 5.416 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(-c2cccs2)cs1 2164106507 CGSGCWCHPDVCIC-DYVFJYSZSA-N 305.512 5.730 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1csc(-c2ccsc2)n1 2164481166 BPHNTBXKZYZTIX-INIZCTEOSA-N 304.484 5.524 30 10 DKEE C=CC1(CN[C@H]2C[C@@H](C)Sc3sccc32)CCCCC1 2189509218 LFAOXHUJXAUPAK-HIFRSBDPSA-N 307.528 5.400 30 10 DKEE CCCCCCCCC[C@H](C[C@@H](C)P(C)(C)=O)NCC 2192519700 OWHAJDPULRLIDT-IAGOWNOFSA-N 303.471 5.507 30 10 DKEE C=CCCCCCCCCOCc1coc(Br)c1 2218640945 FHQARLWVHVKGRK-UHFFFAOYSA-N 315.251 5.475 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2220121595 PDILNZNERNGUQH-NOZJJQNGSA-N 306.664 5.510 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1scc(Br)c1Cl 2242665731 HGFZOSCMZDVUTI-KWQFWETISA-N 322.699 5.027 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(Cl)c(Br)c1 2250133583 PTXCDGDNQXXUDH-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE CC[C@](O)(CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2289924339 JKSLGJORGHEVJK-KRWDZBQOSA-N 311.252 5.175 30 10 DKEE C=CCC(CC=C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 2298829239 XNVABWYPZPFONV-SFHVURJKSA-N 321.464 5.437 30 10 DKEE C#C[C@@H](c1c(Cl)ccc(Cl)c1Cl)N1CCCCCC1 2339166536 LKGQSGAPDNLFKJ-ZDUSSCGKSA-N 316.659 5.197 30 10 DKEE C=C([C@H](NCCC)c1cc(OC)c(Cl)s1)C(C)(C)C 2340266398 YMDGKTQVBAXZMC-ZDUSSCGKSA-N 301.883 5.053 30 10 DKEE C=CCCCSC[C@H](NC)c1ccc(Cl)c(C)c1Cl 2353122868 ZYNNKNXGYIORRV-AWEZNQCLSA-N 318.313 5.262 30 10 DKEE CCCCCCCC[C@H](O)c1c(F)cc(OC)cc1Cl 2364056483 QYUFSZUDZJTZGG-HNNXBMFYSA-N 302.817 5.272 30 10 DKEE CC[C@H]1CC[C@@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2368118727 XABCPLNGHUYSOT-RYUDHWBXSA-N 300.311 5.140 30 10 DKEE C=CCCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccccc1 38242843 GZYQJVICGNRQEL-MRXNPFEDSA-N 303.446 5.341 30 10 DKEE N#C[C@@H](CCOc1cccc(F)c1)c1cccc2ccccc12 57686236 KBEMPKYJUCOTDV-MRXNPFEDSA-N 305.352 5.055 30 10 DKEE N#C[C@H](CCOc1cccc2ccccc12)c1ccccc1F 57686392 GLSCDGAVQVUEMJ-INIZCTEOSA-N 305.352 5.055 30 10 DKEE CCCCCCCCCCCCCCCCN[C@H](C)C(=O)O 59337875 NDHKAEBPGBKCIO-GOSISDBHSA-N 313.526 5.530 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2ccccc2Oc2ccccc2)o1 104967223 OWCDTEWDJUZNBE-YPKPFQOOSA-N 319.360 5.189 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Cl)c2ncccc12 109886969 ZZHLLOUGFBHFPS-CQSZACIVSA-N 304.865 6.049 30 10 DKEE Cc1ccc([C@](C)(O)C2(C#N)CCC(C(C)(C)C)CC2)s1 127284508 BLYXYPAOSWXKKK-GMXGEUMGSA-N 305.487 5.010 30 10 DKEE CCCCCCCCCC(=O)c1cc2cc(F)ccc2s1 135407698 VQXGMPJRKOGUGQ-UHFFFAOYSA-N 306.446 6.364 30 10 DKEE CCSc1cccc(Oc2ccc(F)c(Cl)c2)c1C#N 136718211 MFDMRSAZRGWEGW-UHFFFAOYSA-N 307.777 5.255 30 10 DKEE CCCCCCCCCC[C@H](N)c1ccc(F)c(F)c1F 162295377 DCELFJWICNLONT-HNNXBMFYSA-N 301.396 5.635 30 10 DKEE CCCCCCCC[C@@H](N)c1ccccc1OC(F)(F)F 163645724 NJLGJZPCMZPFIC-CQSZACIVSA-N 303.368 5.336 30 10 DKEE CC(C)(C)c1ccc(CNc2cc(Cl)ccc2C#N)s1 165904373 QRZDBLOLLBMGKT-UHFFFAOYSA-N 304.846 5.183 30 10 DKEE C=CCCCCCNc1ccc(Br)c(Cl)c1 232195125 LCPINTOSLXTGNE-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(CC)cc2)c1 244005064 SHLPHGRVXICMDV-UHFFFAOYSA-N 322.452 5.339 30 10 DKEE CC(C)(C)c1ccc(O)c(N=C/C=C\c2ccccc2[N+](=O)[O-])c1 254853087 FELDZLCYBNZKIZ-XDWVVYBHSA-N 324.380 5.014 30 10 DKEE CCCCCCCC[C@@H](Cc1csc(Cl)c1)NCCC 378996348 NODNXAGGEXWFRT-INIZCTEOSA-N 315.954 6.063 30 10 DKEE C=CCCCCCC(=O)c1ccc(OCc2ccccc2)cc1 381609360 RZWLQMVIBFPYGE-UHFFFAOYSA-N 308.421 5.585 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1cnc(Cl)n1C 696523584 MKGCREJCGSAMCD-OAHLLOKOSA-N 300.874 5.028 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1cscc1Cl 710371338 LHNGSPJJRSMPQH-INIZCTEOSA-N 316.942 5.827 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(C(F)(F)F)ccc1F 710482405 ZQAVPPXYVDKANI-ZDUSSCGKSA-N 309.734 5.028 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cc3sccc3s2)CC1 724618574 RKSQBTLHQNEFGQ-CQSZACIVSA-N 305.512 5.750 30 10 DKEE CCCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1F 1866090140 HHPJCSCLXLJNJB-UHFFFAOYSA-N 319.342 5.534 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 1919543075 WOBMBRXHPOVUKK-OAHLLOKOSA-N 307.236 5.701 30 10 DKEE C=C([C@H](NCCC)c1ccsc1Br)C(C)(C)C 1947450906 GSVSWKHGSTVZIU-LBPRGKRZSA-N 316.308 5.154 30 10 DKEE C=CCCCCCC[C@@H](N)c1cccc(Br)c1F 2085850387 VIACHZSWGFTFKF-CQSZACIVSA-N 314.242 5.115 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1OC 2138627012 CYELMJOZCZJUGS-CYBMUJFWSA-N 304.261 5.362 30 10 DKEE CCCCCCCCCCCC[C@@](C)(O)CSC(C)C 2144742062 GCDJGDPZCOXLOG-GOSISDBHSA-N 302.568 6.190 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2158321753 WVVGXXZVWFVVIU-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE C[Si](C)(C)C#CC(=O)c1ccc(-c2ccccc2Cl)s1 2164063421 RXRFGKNTPFNLKN-UHFFFAOYSA-N 318.901 5.132 30 10 DKEE C=CC1(C[C@H](NC)c2cc(-c3cccs3)cs2)CCC1 2168029180 TVIORHYLGFRILM-AWEZNQCLSA-N 303.496 5.484 30 10 DKEE CC#CCCCC[C@@H](NCC)c1cc(C(F)(F)F)cs1 2196176999 KXQRPLULBGBNGC-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 2207415112 QTICILYYSYIIKE-ZOBUZTSGSA-N 314.560 5.488 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2217665364 HIBMPVPVRMFXBP-CYBMUJFWSA-N 306.664 5.654 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)C1CC(C(F)F)C1 2241012100 ABNPXFLJIBMXSR-DHRDCHLVSA-N 309.466 5.218 30 10 DKEE CC(C)(C)C#CC=CCN(Cc1ccccc1)CC1CCCC1 2243723032 IJUATGFZKBKMDN-UHFFFAOYSA-N 309.497 5.285 30 10 DKEE C=C(C)CCCCNCc1cccc(OCc2ccccc2)c1 2244632197 ZYLGEYFSJIJFHI-UHFFFAOYSA-N 309.453 5.102 30 10 DKEE C=C[C@H](NCc1cc(Br)cc(C(C)C)c1)C1CCC1 2266000890 BGFDEIZLAOGCOH-KRWDZBQOSA-N 322.290 5.017 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cscc1Br 2304034950 HSNIIEIRBZXPMW-ZDUSSCGKSA-N 316.308 5.154 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)cc(Br)c1 2304057112 VKVNKMNRDVVPFR-CQSZACIVSA-N 315.638 5.278 30 10 DKEE C=C1C[C@H]1[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2319254974 HWTZOJUBCVFQAW-OTYXRUKQSA-N 304.648 5.264 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Br)cc1CC 2321128928 XQVZWCYMBUGVMH-HZPDHXFCSA-N 310.279 5.004 30 10 DKEE Cc1c(Cl)ccc(N=C2N[C@@H](C(C)(C)C)CS2)c1Cl 2340143515 AIPGNADKGJILMK-LLVKDONJSA-N 317.285 5.040 30 10 DKEE CCCCCCC[C@@H](C)NCc1cc(Cl)cc(Cl)c1 2341115346 XSXRCYWJIKMPTM-CYBMUJFWSA-N 302.289 5.832 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ccccc1Br 2344342938 MIGNQCCDCYQRNP-DLBZAZTESA-N 324.306 5.482 30 10 DKEE CC[C@H]1CC[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2349797450 PVOFNIVKRCITFV-ZUZCIYMTSA-N 300.204 5.395 30 10 DKEE C=C[C@@](C)(CCCc1cc(Cl)cc(Cl)c1)CNC(C)C 2366899429 JPRRGWNYJSNLOY-KRWDZBQOSA-N 314.300 5.506 30 10 DKEE CSc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 16248733 PMMVATHNVZDUJA-RUDMXATFSA-N 323.244 5.611 30 10 DKEE CC(C)c1ccccc1/N=C1/N[C@@]2(CCC[C@@H](C)C2)CS1 53098927 GZRGXAQEEURAJA-RDTXWAMCSA-N 302.487 5.083 30 10 DKEE Cc1ccc(C)c(C[C@@H](C#N)c2ccc(Cl)cc2Cl)c1 57759886 LNMZCBWUQBCOBU-AWEZNQCLSA-N 304.220 5.460 30 10 DKEE CCCCCC/C=C\CCCCCCCCOS(=O)(=O)O 82009356 YCHFHMFYYOTSPF-FPLPWBNLSA-N 320.495 5.063 30 10 DKEE CCCN[C@H](C)c1ccc(SCCCC(C)(C)C#N)cc1 87607222 QTNGLEURRNMJRY-OAHLLOKOSA-N 304.503 5.169 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(Br)ccc2F)C1 87972987 DVBUJWUXSGUXQL-WBMJQRKESA-N 324.237 5.241 30 10 DKEE CC(C)CCN(CCCCCCCCCS)C1CCCC1 97799522 VEQAXAOCKXPSRT-UHFFFAOYSA-N 313.595 5.938 30 10 DKEE CCCCCCCCCCC/C(=N/O)c1cc(C)ccc1O 100166630 OOXQDZTUGOJLHK-ZZEZOPTASA-N 305.462 5.800 30 10 DKEE CCCCCCCCCSc1nc2sc(C)cc2c(=O)[nH]1 103948001 RIEPKMDRYMYWIG-UHFFFAOYSA-N 324.515 5.136 30 10 DKEE N#Cc1ccc(Nc2ccc(F)c(C(F)(F)F)c2)c(Cl)c1 110254713 IYRVZSMXNNEMEQ-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCCCCC(=O)[C@H]1CSCCS1 122618462 HRGLCHMIFPBZIR-QGZVFWFLSA-N 316.576 5.715 30 10 DKEE N#Cc1ccc(Cl)c(N[C@@H]2CCCc3sc(Cl)cc32)c1 128583055 USYOHWKJKBEELN-GFCCVEGCSA-N 323.248 5.416 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc(C)cc(Cl)c1 157809728 DCQMXIVNPDJGJW-LJQANCHMSA-N 309.925 6.440 30 10 DKEE CCCCCCCCCCCC[C@H](NC)c1sccc1C 162525732 ORWIRBRMURCHQS-SFHVURJKSA-N 309.563 6.628 30 10 DKEE CCCCCCCCCCC(=O)c1ccc(Br)o1 165081408 BVECVDGEXYNTOO-UHFFFAOYSA-N 315.251 5.756 30 10 DKEE CCCCCCCCC[C@@H](CCCC(F)(F)F)NCCC 229031712 VFYLFXCDNPCWGF-INIZCTEOSA-N 309.460 6.228 30 10 DKEE C=CCSc1ccccc1NCc1ccc(C)c(Cl)c1 235897194 FVRAGRMXTXWGIV-UHFFFAOYSA-N 303.858 5.539 30 10 DKEE CCCCCCCCC[C@@H](N)c1nscc1Br 404829207 HSXJAUQGCUQHEL-GFCCVEGCSA-N 319.312 5.046 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1Nc1ccc(C#N)cc1 691157480 ILFZJYWOZUFKMX-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698856430 IBOAARZPBGDLTR-INIZCTEOSA-N 320.408 5.040 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cc(Cl)sc2Cl)CC1 724598826 FUSKCCMZDVBBOK-CYBMUJFWSA-N 318.313 5.842 30 10 DKEE CCCCCCCCCCC(=O)c1cnc(Cl)c(Cl)c1 1917241920 BAICNMKBPYDIBI-UHFFFAOYSA-N 316.272 6.102 30 10 DKEE C=C([C@H](N)c1cc(Cl)c(C)cc1Br)C(C)(C)C 1947440464 VNZRGTQARWAIHV-ZDUSSCGKSA-N 316.670 5.013 30 10 DKEE C=CC1(C[C@@H](N)c2cccc(OCc3ccccc3)c2)CCC1 1980027468 OVJSAUQDGXMKJD-HXUWFJFHSA-N 307.437 5.012 30 10 DKEE C=C1CC(Cn2ccc3cc(OCc4ccccc4)ccc32)C1 1985519235 CEIYLDBDPLGEDO-UHFFFAOYSA-N 303.405 5.187 30 10 DKEE C=CCCCCCCCCNC1CC(OCc2ccccc2)C1 1995327460 IEMKSKXCVBPMRJ-UHFFFAOYSA-N 315.501 5.241 30 10 DKEE CC(C)=C(C)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2072427369 VAHBIHPDUAHQFU-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(C)c(Br)cc1C 2136382563 AJNJTBCUEYMPSJ-PXAZEXFGSA-N 324.306 5.319 30 10 DKEE OC1(C#Cc2cc(Cl)c(Cl)cc2Cl)CCCCCC1 2136609385 AJWBDKZOAPVFSD-UHFFFAOYSA-N 317.643 5.084 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2136610941 DNGUNWODCPGZRP-BMIGLBTASA-N 320.691 5.900 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1cccc(Cl)c1Cl)C1CC1 2196852868 DVPFKUJLCOLXSO-CZUORRHYSA-N 310.268 5.084 30 10 DKEE Cc1ccc(N[C@@H](C)c2cccc(Cl)c2Cl)cc1C#N 2199337727 HIDFIJRBBLASJG-NSHDSACASA-N 305.208 5.347 30 10 DKEE Cc1ccc(N[C@H](C)c2cc(Cl)ccc2Cl)cc1C#N 2199341257 MSHLYZOVBUCDJZ-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCc1ccsc1C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203956593 LEBXXTLNIIKALX-CYBMUJFWSA-N 324.232 5.107 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2204229192 CQAYOWODKHFMND-SMDDNHRTSA-N 316.272 5.255 30 10 DKEE CCCCCCCC[C@H](C)Nc1c(Cl)cccc1Cl 2231923014 IMLUUGINMYWBPM-ZDUSSCGKSA-N 302.289 6.544 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1cccc(F)c1Cl 2240621241 FLVYBDXHPLHXAT-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE C=CCCCSc1nc2ccc(Br)cc2s1 2246334223 RNFPDZLPSDMWIF-UHFFFAOYSA-N 314.273 5.117 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1cc(Cl)c(Cl)s1 2276220969 GAQWFAUPXHXEOS-GFCCVEGCSA-N 322.301 5.208 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(N)c1ccc(Cl)cc1Cl 2284106799 JZWOTSLOOUVGKY-QGZVFWFLSA-N 310.268 5.163 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](NCC)c1cc(Cl)cs1 2290196032 VQNMPTVDWJGISZ-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@H](OCC(=O)O)c1ccc(Cl)s1 2291579112 MWQXRVIXHLLKGW-LBPRGKRZSA-N 318.866 5.294 30 10 DKEE O=C(C=Cc1ccccc1Cl)c1ccc(Cl)cc1Cl 2293835790 KMHFPKWODSHRBC-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE CCCCCCCn1c(C=Cc2ccco2)nc2ccccc21 2314899138 SDFQAFJMGKPRNG-UHFFFAOYSA-N 308.425 5.770 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](SCc2cccc(Br)c2)C1 2318732424 OIWILDPOWATDQO-OSAQELSMSA-N 324.287 5.011 30 10 DKEE C#C[C@H](c1c(Cl)ccc(Cl)c1Cl)N1CCCCCC1 2339166535 LKGQSGAPDNLFKJ-CYBMUJFWSA-N 316.659 5.197 30 10 DKEE CCCC[C@](C)(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1C 2340460432 QVRJEAJHSFVQQA-HUUCEWRRSA-N 300.229 5.055 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2ccc(F)c(Cl)c21 2362301644 APGYKECSOTYAJQ-SKDRFNHKSA-N 310.825 5.035 30 10 DKEE Cc1cccc(NCc2ccc(Cl)c(Cl)c2C)c1C#N 2364004541 LXULXCYXTVWVAI-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(OC)c(Cl)s1 2365804932 XYLPDSLJWBUSGY-OAHLLOKOSA-N 313.894 5.219 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1cccc(C)c1)[C@@H]1CC=C[C@H]21 14480222 XLEMSSFYSAUHKR-UEXGIBASSA-N 317.432 5.386 30 10 DKEE O=C(/C=C\c1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 33424147 RFOUVPFZATXPNJ-PFONDFGASA-N 323.395 5.731 30 10 DKEE C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc2ccccc2c1 59514078 NYNYOUSWBRRYKY-JJIBRWJFSA-N 323.395 6.383 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Cl)cc1Cl 114873819 NEOGCFPUMZNLPT-INIZCTEOSA-N 303.273 6.168 30 10 DKEE CCCCCCCCN[C@H](C)c1sc2ccccc2c1C 159182800 QSAGHAQFUHZSJA-MRXNPFEDSA-N 303.515 6.221 30 10 DKEE CCCCCCCCCCC(=O)c1cccc(Cl)c1Cl 165079231 GNKGHQIKMVBRDG-UHFFFAOYSA-N 315.284 6.707 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccc(Cl)cc2)C1 231383559 LMWSDKMOYHLRNO-UNEWFSDZSA-N 307.890 5.682 30 10 DKEE C=C(Br)Cc1c(Cl)cc(Cl)cc1Cl 238575791 ZZHNPYXPTASSSQ-UHFFFAOYSA-N 300.410 5.098 30 10 DKEE O=[N+]([O-])c1cc(N=Cc2ccc3ccccc3c2)ccc1Cl 252462353 RSPHWDGUZHZIFE-UHFFFAOYSA-N 310.740 5.152 30 10 DKEE CC[C@@H](C)c1ccccc1OCCCB1OC(C)(C)C(C)(C)O1 310126175 WTGZPUJIRVGXNE-OAHLLOKOSA-N 318.266 5.061 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)CC1(CS)CCCCCC1 387452052 VCJUQIMLTOTHBK-GOSISDBHSA-N 319.558 5.558 30 10 DKEE CCCCCCC[C@H](C)Nc1cccc(Br)c1F 689217883 RKOVMQPLECGLIK-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc3cscc3s2)C1 693993103 IJVZZFSDBVBTAO-RLCCDNCMSA-N 305.468 5.106 30 10 DKEE CCCCCCC[C@@H](NCC)c1csc(C(F)(F)F)c1 703559531 AWZRHYMUOMMXGF-CYBMUJFWSA-N 307.425 5.778 30 10 DKEE Fc1cc2scc(SC(F)(F)F)c2cc1C(F)(F)F 725304970 GXDHICHFGIHDTI-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CCN(CC)c1ccc(N=Cc2cccc3ccccc23)cc1 1084500352 WRNOQNZCXIJWAK-UHFFFAOYSA-N 302.421 5.437 30 10 DKEE O=C1/C(=C\c2cccs2)[C@H](c2ccccc2)c2ccccc21 1088701365 DIWNXQFVJGLQQR-CWDSQJGSSA-N 302.398 5.160 30 10 DKEE CCCCCCCC[C@@H](C)N(Cc1ccccc1)[C@@H](C)C(=O)O 1902382478 CRSHTNOCNIQAME-MSOLQXFVSA-N 319.489 5.101 30 10 DKEE CCCCCCCC(=O)c1cc(Br)sc1CC 1943025597 DSFRWZVXNSGJCL-UHFFFAOYSA-N 317.292 5.616 30 10 DKEE C#CC[C@H](CN(Cc1ccccc1)[C@@H](C)c1cccs1)C1CC1 1991256644 AQXNZZXCQNOUMX-FXAWDEMLSA-N 323.505 5.361 30 10 DKEE N#C[C@]1(Cc2cccc(Br)c2)CCCCC12CCC2 2116993993 HAHJJFAXSCUIBJ-QGZVFWFLSA-N 318.258 5.246 30 10 DKEE C=CCCCCCCCCCNc1ccccc1Br 2142454153 YFTVATHNKGWHGT-UHFFFAOYSA-N 324.306 6.168 30 10 DKEE C=CCCCCCC(=O)c1cccc(SC(F)(F)F)c1 2164070293 OGAAQLDQMFURFP-UHFFFAOYSA-N 302.361 5.618 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@H]1O 2172977546 DZJIOFULGQQDTA-MBOZVWFJSA-N 302.439 5.281 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(C(F)(F)F)c(Cl)c1 2179676327 FJCVCFFDZJGEHH-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CCCCCOc1c(Cl)cc(Cl)cc1C[C@H](N)CC 2179683572 VVDMTSIIKJEHHI-CQSZACIVSA-N 316.272 5.008 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1cccc(Cl)c1Cl)C1CC1 2196852866 DVPFKUJLCOLXSO-BBRMVZONSA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCC[C@H](CCP(C)(C)=O)NCC 2207436379 KJTJNGJPNACCNX-QGZVFWFLSA-N 301.455 5.284 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@H](O)c1sccc1Cl 2207439982 UXJALERJWWUDSL-CABCVRRESA-N 315.910 5.069 30 10 DKEE C=CCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2225667207 GZMFWDYCRBNMEK-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE CCCCCCCn1c(S)nc2ccc(F)c(Cl)c21 2227429187 IWFSRYBHZCQFOO-UHFFFAOYSA-N 300.830 5.088 30 10 DKEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)s1 2234290585 YZJNSYQMXJTTRY-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE C=C(C)CCCC[C@@](C)(N)c1ccc(C)c(Br)c1 2259213900 ZPTXVVMOFJEHKO-MRXNPFEDSA-N 310.279 5.068 30 10 DKEE C=CC[C@H](NCCC)c1cc(Br)cc(C(C)(C)C)c1 2273079613 GOKWAPWOVLQWHQ-INIZCTEOSA-N 324.306 5.363 30 10 DKEE CCCCCCCCC[S@](=N)(=O)CC1(C(F)(F)F)CC1 2281262378 BSXUSYLZZJUVDN-FQEVSTJZSA-N 313.429 5.126 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cscc1C(F)F 2287407884 BFGQXNSWCBHHKT-OAHLLOKOSA-N 301.446 5.863 30 10 DKEE O=C(C=Cc1ccccc1Cl)c1cc(Cl)ccc1Cl 2294300054 NSPVYYOXLHKNCE-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc(Cl)ccc1F 2295597517 WISSLDKHDXLKKF-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE O=C1C(=Cc2ccc3ccccc3c2)CSc2ccccc21 2297562378 SNJOBXKJBZNHTE-UHFFFAOYSA-N 302.398 5.212 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2323759372 RFEHTDVUVGAKGF-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)Cc1ccc(Cl)c(Cl)c1C 2344465233 MQGJEFNPQOKDAL-HOCLYGCPSA-N 301.257 5.198 30 10 DKEE CCCN[C@@H](C#Cc1cccs1)c1cc2sccc2s1 2363705852 GOOOSIVHYTXWLR-ZDUSSCGKSA-N 317.504 5.117 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1c(Cl)ccc(F)c1F 2370481149 BKJXUAAHQUQDLD-HZPDHXFCSA-N 301.808 5.261 30 10 DKEE C=C[C@H](N(Sc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)C 34533131 RXKPBSGALBPHJT-HNNXBMFYSA-N 321.486 5.532 30 10 DKEE N#Cc1ccc(Nc2cccc(Cl)c2F)cc1C(F)(F)F 37306435 RHPCRARLAYXUIU-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE Cc1ccc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)cc1C 37344162 LHYGLIGCTZBILO-ZDUSSCGKSA-N 318.203 5.100 30 10 DKEE CCCOc1ccc(OCCCCCCCCCS)cc1 97799755 WTNYVAWBDMBXJS-UHFFFAOYSA-N 310.503 5.515 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccc(Cl)cc1Cl 109712925 GRIZFJJILMBZMV-OAHLLOKOSA-N 303.273 5.647 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 110354787 KLTKTUPWOZJSSY-JJRVBVJISA-N 321.917 6.177 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(Br)s1 114419518 VUFYTEUYXGAKPD-LBPRGKRZSA-N 318.324 5.651 30 10 DKEE CCCCCCCCNc1ccc(Br)c(F)c1 115071822 PWQZWVQLCKYEAD-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE CSc1cccc(N[C@@H](c2cccs2)C(C)C)c1C#N 136641345 ICGOYHRTVAABEN-MRXNPFEDSA-N 302.468 5.151 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Br)ccc1C 159152103 ASIIKKSUVUGSSM-MRXNPFEDSA-N 312.295 5.508 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(C(C)(C)C)s1 166202649 BGXFMQDWSIURSD-MRXNPFEDSA-N 310.547 6.610 30 10 DKEE Cc1cc([C@@H](CC#N)C2CC2)cc(NC(=O)OC(C)(C)C)c1C 260348791 QAQBWKLTNZUNGI-INIZCTEOSA-N 314.429 5.058 30 10 DKEE Cc1ccc(C2(C#N)CCCCC2)cc1NC(=O)OC(C)(C)C 260390731 SPIWYXFSWXQMED-UHFFFAOYSA-N 314.429 5.068 30 10 DKEE CC(C)Sc1ccc([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 378887370 NUDVJOUFVJJJSM-JKSUJKDBSA-N 318.291 5.137 30 10 DKEE N#Cc1cc(Cl)ccc1N[C@@H]1CCc2sc(Cl)cc21 695715287 ZAIBGPAFBRNFPX-GFCCVEGCSA-N 309.221 5.026 30 10 DKEE C=CCCC(C)(C)NCc1c(Cl)ccc(Cl)c1Cl 717910773 LMRXJEIMIHHJBR-UHFFFAOYSA-N 306.664 5.481 30 10 DKEE CCCCCCCCCCNC(=O)CSc1ccccc1 1866088538 HPCPZGFWQJGRCB-UHFFFAOYSA-N 307.503 5.036 30 10 DKEE CCCCCCCCC[C@]1(N)C[C@H](C)N(Cc2ccccc2)C1 1920174084 GMORTUSZRLUEOG-FPOVZHCZSA-N 316.533 5.119 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCCC12CCC2 1921635175 DOBIOCKSQNXRBS-KRWDZBQOSA-N 318.258 5.164 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCC1CCCCC1)NCC 1922071513 LJUNHCMQIRLFAF-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE CCCCCCCC[C@H](N)c1scc(C)c1Br 1950855643 UEOILJVJVORAMW-LBPRGKRZSA-N 318.324 5.569 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cccc(Br)c1 2040530483 RCDXYGOHEULISO-BBRMVZONSA-N 310.279 5.092 30 10 DKEE C=C(Br)CCNc1ccccc1-c1ccccc1 2045041166 OWZUGONBCHRUPW-UHFFFAOYSA-N 302.215 5.064 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045724147 JTDGXVQYWOVIHQ-OTYXRUKQSA-N 306.664 5.510 30 10 DKEE C=CCCCCOc1cc(Br)cc(C(F)(F)F)c1 2059124389 UPDRPNOBWAAIMV-UHFFFAOYSA-N 323.152 5.203 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(Br)c(C)c1 2071996523 GJSBLVXJRJEZHT-MRXNPFEDSA-N 313.279 5.326 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(Br)co1 2086259165 MDZMMASQZNSXGN-CQSZACIVSA-N 315.251 5.382 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2107875292 JMLFTKVUEBRPMO-BONVTDFDSA-N 320.691 5.900 30 10 DKEE C#C[C@@H](N[C@H](C)c1cc(Cl)sc1Cl)C1CCCCC1 2138969251 CSZHHYMFKZHZFP-ZWNOBZJWSA-N 316.297 5.288 30 10 DKEE C=C(C)CC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2139130128 BCBCSDFPWUYSRM-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=C([C@H](NCCC)c1csc(C(F)(F)F)c1)C(C)(C)C 2152941396 GXIYAWLCGGDMDM-ZDUSSCGKSA-N 305.409 5.410 30 10 DKEE O=C(C=C1CCCC1)c1ccc(-c2ccccc2Cl)s1 2177050771 PPDLBGHMJXGEOP-UHFFFAOYSA-N 302.826 5.752 30 10 DKEE C=CC1(NCc2cc(-c3cccs3)cs2)CCCCC1 2178137291 JFNQLFMOBFXHLD-UHFFFAOYSA-N 303.496 5.455 30 10 DKEE C=CC1(Nc2c([N+](=O)[O-])ccc(Cl)c2Cl)CCCCC1 2178137970 RHFKCNDHZCSKSS-UHFFFAOYSA-N 315.200 5.202 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1cc(Cl)cc(Cl)c1 2237998752 SJRHMRUBWHLMSJ-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c(CNC)s1 2239508267 TVIQAQKJTVGHPY-UHFFFAOYSA-N 318.914 5.035 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccc(Cl)c(Cl)c1F 2240654870 WGWNTWLGYGVIAP-GFCCVEGCSA-N 320.279 6.684 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1 2244631327 KDHLCYWURNXZOA-OAQYLSRUSA-N 309.453 5.402 30 10 DKEE C=C(C)CCCC[C@@](N)(CC)c1ccc(Br)cc1 2259198113 CDBWIFMNRVTZFO-INIZCTEOSA-N 310.279 5.150 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1cscc1Cl 2276741512 ZZZBIXBXHHMNBT-OAHLLOKOSA-N 303.899 5.169 30 10 DKEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1cscc1Cl 2284086827 WGFNPRCOKNJJQF-INIZCTEOSA-N 309.906 5.438 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1cccc(Cl)c1Cl 2293267638 AVGUIFKJXFCDJL-OAHLLOKOSA-N 316.272 5.146 30 10 DKEE O=C1C(=Cc2ccc(C(F)(F)F)cc2)CC[C@H]2CCCC[C@H]12 2297452562 BXTGKOZOKNKUSL-CJNGLKHVSA-N 308.343 5.258 30 10 DKEE C=CCC(CC=C)SCc1ccc(Br)c(F)c1 2298918924 ZXGZOCZRBUGRHF-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H](C)c1cccc(OC2CC2)c1 2303236583 AVHUYNIZJBTASW-SFHVURJKSA-N 321.464 5.367 30 10 DKEE CCCCCCCCCCNC(=O)C(C)=Cc1ccccc1 2321198996 YEINJDQGSYVELF-UHFFFAOYSA-N 301.474 5.347 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)c(C(=O)O)c(Cl)c1 2340779713 XXORQIWJHTWRCU-UHFFFAOYSA-N 317.237 5.305 30 10 DKEE C=CCC(CC=C)N[C@@H](Cc1cccs1)c1cccs1 2360213135 PGFIDYMHDAQSEO-INIZCTEOSA-N 303.496 5.204 30 10 DKEE C=CC[C@@H](C)Sc1c([C@H](C)NCCC)ccc(Cl)c1F 2360376053 DGQJPPMTIIKAKH-NEPJUHHUSA-N 315.885 5.596 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)c(C(F)F)s1 2371318041 IYNRXFQBRWYZDH-LBPRGKRZSA-N 323.880 6.350 30 10 DKEE CCCCCCCCCCCn1c(CC)nc2ccccc21 50861277 UJOBNEBCTWWKLJ-UHFFFAOYSA-N 300.490 6.130 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cc(Br)ccc2F)C1 87972985 DVBUJWUXSGUXQL-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE CC(C)(CCC#N)CNc1ccccc1SC1CCCC1 162966153 LFNTVNWGKNMYMM-UHFFFAOYSA-N 302.487 5.463 30 10 DKEE CCCCCCCCCCCCC(=O)c1sccc1OC 165106672 IUSYFZIVWRADAO-UHFFFAOYSA-N 310.503 6.250 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(Cl)c(Cl)c1 307873358 DRNIOGCFPSXEFM-INIZCTEOSA-N 303.273 5.952 30 10 DKEE CC[C@H](C)[C@H](C)[C@H](C#N)Sc1ccccc1Br 319871544 VXXVWRVDRWXAEC-MJVIPROJSA-N 312.276 5.116 30 10 DKEE CCCCCCCCC[C@H](O)c1coc(Br)c1 383273169 WAGBYAKAXVAPNN-ZDUSSCGKSA-N 303.240 5.216 30 10 DKEE CCCCCCCCCC[C@@H](O)CCOCc1ccccc1 395575892 UZVPCOMEEZPZFP-HXUWFJFHSA-N 306.490 5.485 30 10 DKEE N#Cc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)c1Cl 514260834 DQXGOEHHWCFXEG-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(F)c(Cl)c1F 689604824 FTJUGILCZIJTHS-CQSZACIVSA-N 303.824 5.759 30 10 DKEE N#C[C@@H](C(=O)c1cc2cscc2s1)c1cccc(Cl)c1 694329288 GXYQLMLOFMOYGN-GFCCVEGCSA-N 317.822 5.106 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)c2ccsc2Cl)C1 711171375 GVIWBGSBSDUSQJ-GFCCVEGCSA-N 311.878 5.181 30 10 DKEE N#Cc1ncc(Cl)cc1-c1c(Cl)ccc(Cl)c1Cl 1848373777 ANWROZQSLURQLP-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCCCCCCCNC(=O)c1cc2c(ccc3ccccc32)o1 1859664617 LXHAFOBZGQIAHU-UHFFFAOYSA-N 323.436 5.676 30 10 DKEE CC(C)(C)c1csc(NC(=O)Sc2ccccc2)c1C#N 1860403031 MWAIYRGVGOKAGJ-UHFFFAOYSA-N 316.451 5.241 30 10 DKEE C=C1CCC(C[C@H](O)c2ccc(C)c(Br)c2C)CC1 1886404217 PHRCZFFRMAJXCZ-INIZCTEOSA-N 323.274 5.236 30 10 DKEE CCC[C@]1(C)CSC(=Nc2ccc(Cl)c(Cl)c2F)N1 1893169302 GPTPOXAPNDDOBO-CYBMUJFWSA-N 321.248 5.015 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc(Cl)sc1Cl 1919872842 UFUVKYIBHHBLPS-OAHLLOKOSA-N 323.329 6.403 30 10 DKEE C=CCC[C@@H](C)c1c(Br)cccc1Br 1955244876 UNPSUSUCYBFQHK-SECBINFHSA-N 318.052 5.281 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1cccc(OCc2ccccc2)c1 1975928032 OQIWAVLQWBNZOR-UTKZUKDTSA-N 309.453 5.128 30 10 DKEE CC#CCCCC[C@@H](NC)c1cccc(OCc2ccccc2)c1 2019497199 CMBIUOHRJYCUIO-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccccc1Br 2050509725 CJKHKOOSBVEFEB-INIZCTEOSA-N 310.279 5.236 30 10 DKEE CCCCCC#CCNc1c(C)cc(Br)cc1C 2083410482 JXLBJQLQGAWZKX-UHFFFAOYSA-N 308.263 5.062 30 10 DKEE C=CCCCCCCCC[C@H](O)c1ccc(Br)o1 2086262507 WRZWTWWFYWXAKA-ZDUSSCGKSA-N 315.251 5.382 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1ccc(C)c(Br)c1 2141904672 DLUFLXSBXLEHAU-QGZVFWFLSA-N 324.306 5.458 30 10 DKEE C#CCCCCCC(=O)c1ccc(SC(F)(F)F)cc1 2163976465 XITSHCDFSLXUBS-UHFFFAOYSA-N 300.345 5.065 30 10 DKEE C#CCCCC[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2173491372 QZSJFDSLXBSDHN-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1ncc(Cl)s1 2229655011 CNNPTZLDCRRDFN-CYBMUJFWSA-N 302.915 5.717 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1sc(Cl)cc1Br 2244969579 VEEYKACEVZGZJZ-KWQFWETISA-N 322.699 5.027 30 10 DKEE CCCCCCCCC[C@H](C)NCC1(Br)CC1 2252954321 BASRSRYZENMCRS-AWEZNQCLSA-N 304.316 5.033 30 10 DKEE CC(C)c1cc(Br)cc(C(=O)C2=CCCCCC2)c1 2265944481 HBPQEQIPOOWTHN-UHFFFAOYSA-N 321.258 5.646 30 10 DKEE CCCCCCCCC=CCCCCCCCC(=O)N(C)C 2295103082 GAXDEROCNMZYCS-UHFFFAOYSA-N 309.538 6.112 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(C)c(Br)cc1C 2344339881 MSCPWFZMMQJXBL-IRXDYDNUSA-N 324.306 5.319 30 10 DKEE C[C@@H]1CCC[C@@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2368178216 ZDZDEDIBGZMMGE-NEPJUHHUSA-N 300.311 5.140 30 10 DKEE C=CCCCCCCC[C@H](NC)c1ncc(C(F)F)s1 2369605865 VHFONJQZHBGALC-LBPRGKRZSA-N 302.434 5.258 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cccc(Cl)c1C(F)(F)F 2370481270 CCJLWVCAUOELRJ-KGLIPLIRSA-N 305.771 5.351 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Cl)c(C(F)F)s1 2371346953 BITSQXYRVNCHKA-OAHLLOKOSA-N 324.864 6.297 30 10 DKEE CCCCCC#CC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2377332503 PVGWLBJKGAAAGU-MRXNPFEDSA-N 316.247 5.367 30 10 DKEE N#C[C@@H](CCOc1ccccc1F)c1cccc2ccccc12 57686232 NDPZYKMSQLJYNO-MRXNPFEDSA-N 305.352 5.055 30 10 DKEE N#Cc1c(/N=C/c2ccc3ccccc3c2)sc2c1CCC2 59459882 MCSHYVQUYGVZSV-CIAFOILYSA-N 302.402 5.012 30 10 DKEE Oc1ccc(/C=N/c2ccc(/N=N\c3ccccc3)cc2)c(O)c1 100488635 FGWAFVXSDJQNPJ-JQYOOHNSSA-N 317.348 5.264 30 10 DKEE CCOc1ccccc1/C=C\C(=O)c1oc2ccc(F)cc2c1C 102836483 NZXAXURQYMZRJZ-NTMALXAHSA-N 324.351 5.175 30 10 DKEE CCCCCCCn1c([C@H](N)CCCC)nc2ccccc21 104066997 FRRWXKLHIYJVRP-MRXNPFEDSA-N 301.478 5.197 30 10 DKEE CCCCCCCCNc1ccc(Cl)c(C(F)(F)F)c1 109770764 HDLHWICYFVQGHQ-UHFFFAOYSA-N 307.787 6.131 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1CSc2ccccc21 139396779 ITCDFONTYNBCRQ-MSOLQXFVSA-N 305.531 5.605 30 10 DKEE CCCCCCCCC[C@H](O)c1c(Cl)cnn1C(C)C 158898436 QUOBYHBIFVYPFZ-HNNXBMFYSA-N 300.874 5.292 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1c(Cl)cccc1Cl 158912084 MFXDLJDTIDXNJU-INIZCTEOSA-N 300.273 5.116 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 226910684 IKBBIMDKUDFHDE-FUHIMQAGSA-N 321.395 5.217 30 10 DKEE CCCCCCCCC[C@@]1(O)CCCN(Cc2ccccc2)C1 303443925 YIFDQDPMBGBHFN-OAQYLSRUSA-N 317.517 5.154 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Cl)cc(F)c1F 709204314 OZKCWSLMJKMEMY-OAHLLOKOSA-N 301.808 5.405 30 10 DKEE N#CC[C@H](c1ccccc1)N(Cc1ccccc1)CC1CCCC1 1946747129 WBGIAPRLOJDLCW-JOCHJYFZSA-N 318.464 5.334 30 10 DKEE N#C[C@@]1(Cc2ccc(Br)cc2Cl)CCC12CCC2 2047957214 XQOXMNQXKRYJJL-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1snc(Cl)c1Cl 2048317402 KIZHAYXIBGACAD-ONGXEEELSA-N 307.290 5.093 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(C)nc1Br 2061205085 PAAJTZDMCVLYSK-GFCCVEGCSA-N 313.283 5.313 30 10 DKEE C=CCCCC[C@H](NCCC)c1cccc(Cl)c1Cl 2123086715 VOSNQBVFQKCUOC-HNNXBMFYSA-N 300.273 5.781 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1cc2sccc2s1 2140590288 SPIUSZOHPCNQNR-NSHDSACASA-N 304.827 5.293 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccc(Br)cc1 2142439471 AWFFDNLJMWKXHW-KRWDZBQOSA-N 324.306 5.756 30 10 DKEE CC#CCCC[C@@H](NCCC)c1cc2sc(C)cc2s1 2194058400 GNNPLSKGCVNTRV-CQSZACIVSA-N 305.512 5.506 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1ccc(SC)s1 2207442231 PLNBFYNPAJTMGG-CQSZACIVSA-N 312.548 5.281 30 10 DKEE C=CCCCCCCCOc1cc(Br)ccc1F 2220086651 FUTGEEUUZQHFHZ-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE CC(C)(C)C#C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2233919931 BGABGLCAXGUAKS-CQSZACIVSA-N 304.842 5.151 30 10 DKEE CCC(CC)(CC)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235753757 MMGVRTASKAQDTK-GFCCVEGCSA-N 312.240 5.386 30 10 DKEE Cc1cccc(Oc2cc(Cl)ccc2C#N)c1Br 2263767199 UYKWFBHPNIFCGK-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CO[C@H](CSCCCCCCCCCS)CC(C)(C)C 2287236436 ZLXPWTUTBLWSQP-INIZCTEOSA-N 320.608 5.831 30 10 DKEE CN(CCCCCCCS)C[C@@H]1CCCCCC1(F)F 2294770924 PRHSUUQELHAKBH-HNNXBMFYSA-N 307.494 5.014 30 10 DKEE C=C([C@@H](NCCC)c1ccc(C(F)(F)F)s1)C(C)(C)C 2295258372 JCAPMZXXQUAMBE-CYBMUJFWSA-N 305.409 5.410 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cc(Br)cs1 2304035303 LCNPOYPQZLFXSV-CYBMUJFWSA-N 316.308 5.154 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1cc(C)ccc1C 2322617326 YJTBWDYWWCVCJH-UHFFFAOYSA-N 316.400 5.361 30 10 DKEE CCCCCCC[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2335360009 ALCSNBFAYQGOKI-CQSZACIVSA-N 306.252 5.754 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(C(F)(F)F)s1 2370499693 ANZSVXUEHBIQQY-ZIAGYGMSSA-N 305.409 5.410 30 10 DKEE Cc1ccc(C)c([C@@H](C#N)Cc2c(Cl)cccc2Cl)c1 57724724 PCYDNHJEANJVSP-CYBMUJFWSA-N 304.220 5.460 30 10 DKEE Clc1ccc(/N=C/c2cccn2-c2ccccc2)c(Cl)c1 59303390 IKLBWDAYAJSGDJ-UDWIEESQSA-N 315.203 5.535 30 10 DKEE CCCCCCCOc1ccc([C@@H](CC)NCC2CC2)cc1 100047126 SMNYOGLGRQUHAP-HXUWFJFHSA-N 303.490 5.487 30 10 DKEE Cc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c(C)c1 108862422 FTZODRRTPJCCJE-HJWRWDBZSA-N 304.311 5.218 30 10 DKEE O=C(/C=C\Oc1ccc(Cl)cc1)c1cccc2ccccc12 210071748 PTGZWWFDIOIXPH-SEYXRHQNSA-N 308.764 5.269 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 226707976 NLYKBTGKQORCRM-JTDSTZFVSA-N 306.796 5.038 30 10 DKEE CC(=NN=C(C)c1cc(C)c(C)cc1C)c1cc(C)c(C)cc1C 252626718 REISYDLTSZBSOQ-UHFFFAOYSA-N 320.480 5.770 30 10 DKEE ON=C1CCC=CCCC=CCC[C@H]1Sc1ccccc1O 254808234 NKNDZZMNQQYGEJ-QGZVFWFLSA-N 317.454 5.150 30 10 DKEE CCCCCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1 406750018 IIVGNAKNAZQTQN-KRWDZBQOSA-N 320.477 5.394 30 10 DKEE Fc1cccc(-c2ccc(C(F)(F)F)cc2OC(F)F)c1F 514255971 JHAQVXATCNFKKU-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE N#CCc1c[nH]c2cc(-c3cccc(C(F)(F)F)c3)cc(F)c12 514263784 KYLCZCDDBVQQKA-UHFFFAOYSA-N 318.273 5.059 30 10 DKEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2cc(Cl)ccc21 692192627 YNQAKEKHTNFUAP-SMDDNHRTSA-N 306.862 5.286 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc2cscc2s1 694408535 ZJKKBDLZVIXTNJ-HNNXBMFYSA-N 310.528 6.527 30 10 DKEE CCC(CC)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698418339 JJXLUKQGNLKERW-KRWDZBQOSA-N 316.445 5.065 30 10 DKEE CC[C@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698419366 MWAUMTHYJJDXAJ-HNAYVOBHSA-N 316.445 5.065 30 10 DKEE CCCCCCCC[C@@H](CCCOCc1ccccc1)NC 719128441 NHPRBKQBUGBICR-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE CCCCCCCCCCNC(=O)CCc1cccc(Cl)c1 1866092920 LWAGFNUKLSOKHN-UHFFFAOYSA-N 323.908 5.530 30 10 DKEE CC1(C)CCC[C@@](C)(Nc2cc(Br)ccc2C#N)C1 1877822017 DMSPZZSZRPXFBX-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCNCCc1ccsc1Cl 1883059939 BEUDAMXTRKEYMN-UHFFFAOYSA-N 301.927 5.674 30 10 DKEE C=C1CCC(C[C@@H](O)c2ccc(C)c(Br)c2C)CC1 1886404219 PHRCZFFRMAJXCZ-MRXNPFEDSA-N 323.274 5.236 30 10 DKEE CCCCCCCN(C)CCc1cc(Cl)cc(Cl)c1 1887028102 BYAUUTCWQIBUEZ-UHFFFAOYSA-N 302.289 5.438 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](O)c1ccc(Cl)o1 1918942739 VBWKMYDWSNXKHY-MRXNPFEDSA-N 300.826 5.066 30 10 DKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C#N)CCCCCC1CC1 1936425685 BOOPWRUGAOAZCT-IBGZPJMESA-N 320.477 5.030 30 10 DKEE C=CC1(C[C@H](N)c2cscc2OCc2ccccc2)CCC1 1960781125 QHKSALIYHJATFP-KRWDZBQOSA-N 313.466 5.073 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1CCC(C)(C)CC1 1975997095 HQCYDXUURSDGHN-IBGZPJMESA-N 322.493 5.131 30 10 DKEE C=CCCCCC[C@H](NC)c1sc(Br)cc1C 2000341968 LEIXPEKIAJFANT-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1cc(Cl)c(Cl)s1 2037456460 OETNHUADRZTTBV-JTQLQIEISA-N 317.628 5.385 30 10 DKEE CCCCCCCCC[C@H](O)c1c(Cl)cncc1Cl 2093393994 USEZVNURGYWKBD-AWEZNQCLSA-N 304.261 5.563 30 10 DKEE C=CCCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2141912235 XAMJRZWQLUILBC-CYBMUJFWSA-N 320.691 6.173 30 10 DKEE CCCC(CS)(CCC)COCCCCC(F)(F)F 2230040943 FOVUFCMFEOAAOU-UHFFFAOYSA-N 300.430 5.252 30 10 DKEE C[C@H](Nc1cc(F)cc(C#N)c1)c1cc(Cl)cc(Cl)c1 2238004099 PHERAXSRJNEWIQ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(C)CCCCCc1cc(Cl)ccc1Br 2244650658 LGVFVHWBFKSIMV-UHFFFAOYSA-N 301.655 5.782 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Br)cs1 2250157016 RGNZOMWCVSYRJD-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(C)c(Br)c1C 2259198271 HMKWTWAMIDHPBR-HNNXBMFYSA-N 310.279 5.202 30 10 DKEE CC(C)(C)C#CC=CCn1ccc2c(Br)cccc21 2268743333 SSFQRIJDNSLFQK-UHFFFAOYSA-N 316.242 5.010 30 10 DKEE O=C1C(=Cc2ccc(C(F)(F)F)cc2)CCCc2ccccc21 2297562994 WCARSTXMLBPBTN-UHFFFAOYSA-N 316.322 5.308 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1csc(C)c1Br 2303640473 WSTLBQQYGODYLN-HZMBPMFUSA-N 316.308 5.072 30 10 DKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCCC)cc2)cc1 2323536404 SDLJZUSHWQMNDS-UHFFFAOYSA-N 322.448 5.714 30 10 DKEE Cc1ccccc1C=C1Oc2cc(OCCC(C)C)ccc2C1=O 2324635726 CTSNSAHBYQOUBN-UHFFFAOYSA-N 322.404 5.036 30 10 DKEE C#CCCCCCCN[C@@H]1CCSc2ccc(Cl)cc21 2364148758 LZNYODOLWLPLIV-MRXNPFEDSA-N 307.890 5.050 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1ccc(Cl)c(Cl)c1C 2364222220 DSRZNMHALZJDEC-SJCJKPOMSA-N 314.300 5.425 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2364399793 SLDRZZAFIPEOBO-MRXNPFEDSA-N 316.316 6.313 30 10 DKEE C=CCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807585 KHBGMUZVDMEHRA-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(Cl)cc1Cl)NCC 2370483006 QKSHIGZLRIUWKT-DLBZAZTESA-N 314.300 5.506 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)cc1 37344137 UOTFVJLDKJVBJA-CYBMUJFWSA-N 318.203 5.046 30 10 DKEE Cc1ccc(OCC[C@H](C#N)c2cccc3ccccc23)cc1 57686188 LJFGSYKOPYUZLA-GOSISDBHSA-N 301.389 5.225 30 10 DKEE CCSc1ccc(C)cc1C(=O)/C=C/c1cccc(OC)c1 83193175 MSOZLCQXEXJBBW-MDZDMXLPSA-N 312.434 5.012 30 10 DKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1c[nH]c2ccccc12 83194259 ULOVTDGOZYAKJL-ZRDIBKRKSA-N 317.432 5.670 30 10 DKEE N#CC1(c2ccc(Cl)c(Cl)c2)CC2(CCCCCC2)C1 86543311 IKIRFUNQKHCMNN-UHFFFAOYSA-N 308.252 5.889 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc2cccc(Br)c2o1 97283360 KDSQFZUYORMHDP-AWEZNQCLSA-N 322.246 5.202 30 10 DKEE CC(C)[C@@H]1CC[C@@H](C)/C(=C\c2ccc(Br)cc2)C1=O 100479713 XXWIKUUTIWHVPA-GJWHOYOLSA-N 321.258 5.104 30 10 DKEE CCCCCCCCO[C@@H](CNCC)c1cccc(Cl)c1 110070337 VMAQEMYCQLGGDJ-SFHVURJKSA-N 311.897 5.368 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2cccc(Cl)c2)C1 110265547 VRGWNYUDHWRVFQ-GARXJVFOSA-N 304.865 5.051 30 10 DKEE CCCCCCCC[C@@H](CN)c1ccccc1Br 118865496 ZFEIENIETUZGDY-AWEZNQCLSA-N 312.295 5.242 30 10 DKEE CCCCCCCC[C@@H](O)CCCCCOCc1ccccc1 140248322 LLDREJIKMBWFPC-OAQYLSRUSA-N 320.517 5.875 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)c1cncs1 147720763 OAWKPOVSDCMEDH-KRWDZBQOSA-N 310.551 6.105 30 10 DKEE Oc1c(Cl)cc(Cl)cc1C=Nc1cccc2ccccc12 252463174 ZKKWAVSRHDMSER-UHFFFAOYSA-N 316.187 5.603 30 10 DKEE Oc1ccc(Cl)cc1N=Cc1sc2ccccc2c1Cl 254792011 AWZCZZCNLMDIIW-UHFFFAOYSA-N 322.216 5.664 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(Cl)cc(Cl)c2)C1 381016527 VFAYERVKOOBVQL-GPCCPHFNSA-N 300.254 5.414 30 10 DKEE CCCCCCCCC[S@](=O)CCCOc1cccc(C)c1 586379441 UBAREJKDZBZVNQ-QFIPXVFZSA-N 324.530 5.263 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccccc2)cc1 698942511 VDZMZFMMKXKQAR-SFHVURJKSA-N 322.408 5.001 30 10 DKEE CCCCCCC[C@@H](NCC)c1c(F)ccc(F)c1Cl 705461121 IRUXRTWFPWLKRZ-CQSZACIVSA-N 303.824 5.629 30 10 DKEE CCCCCCCCCN1Cc2ccc(Br)cc2C1 707915499 HHYYLCDQIDLBBI-UHFFFAOYSA-N 324.306 5.515 30 10 DKEE N#CCc1ccc2c(C(F)F)csc2c1SC(F)(F)F 725297790 YAIFKDCILPKTIA-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE Fc1c(SC(F)(F)F)ccc2cc(C(F)(F)F)sc12 725305083 LYXRUDJWDBUZSU-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CCCCCCCCCCNC(=O)c1cccc(Cl)c1C 1866123471 KSOMAJNWCALDEQ-UHFFFAOYSA-N 309.881 5.519 30 10 DKEE Cc1ccc(N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1 1873497079 IODGNSDRQFANPX-UDWIEESQSA-N 310.784 5.354 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1ccc(OCc2ccccc2)cc1 1900971846 GPOVRHPPQBHLMD-OAQYLSRUSA-N 307.437 5.034 30 10 DKEE C=CCC(CC=C)C(=O)c1cccc(OCc2ccccc2)c1 1901009289 NLGQLDKZNULKTL-UHFFFAOYSA-N 306.405 5.217 30 10 DKEE C=CC[C@@H](CC)N[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1935997143 DDNSJLRDRWLEAO-GOEBONIOSA-N 318.461 5.039 30 10 DKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)c1ccccc1 1951302005 JMQRGBTUMPNDIR-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE C=C(COCc1ccccc1)[C@@H](O)CCCCCCCCCC 1978675112 AEAPAFLGUUNPKD-NRFANRHFSA-N 318.501 5.651 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@@H](CCC)CC[C@@H]1C#N 1978877982 UILJOQLPIBMJQQ-CEWLAPEOSA-N 310.485 5.173 30 10 DKEE CCc1cc(Br)c(C(=O)C2=CC[C@H](C)CC2)s1 2010607553 BCCLKZPLVCOABP-VIFPVBQESA-N 313.260 5.002 30 10 DKEE N#C[C@]1(Cc2cccc(Cl)c2Br)CCCC12CC2 2053366782 MOTVMVINWADEDY-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE Cc1cccc([C@@H](C)n2nc(C3CCCCC3)cc2C#N)c1C 2070112910 VJXHYJKWZHUQCL-MRXNPFEDSA-N 307.441 5.029 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccc(CC)cc1 2070122843 ADCNFHCCZAMJQJ-INIZCTEOSA-N 306.453 5.084 30 10 DKEE C=C(C[C@@H](NCCC)c1cccc(Br)c1)C(C)(C)C 2113412202 BDACKNKBWYKJTB-MRXNPFEDSA-N 324.306 5.482 30 10 DKEE CCC1(C)CCC(Nc2ccc(Br)c(C#N)c2)CC1 2114865800 OIGDWRCEYURUGJ-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)c2)c2ccsc2S1 2152744121 LIFFLAMILOUHPJ-OTYXRUKQSA-N 320.870 5.311 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(F)c(Cl)cc1F 2158319912 HKPZRZSAOVYAJE-BDJLRTHQSA-N 301.808 5.261 30 10 DKEE C#CCCCCC[C@H](NCCC)c1c(Cl)cncc1Cl 2164235923 WJNFLEZLBXMKFM-HNNXBMFYSA-N 313.272 5.013 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(SC(F)(F)F)cc1 2164261796 ABKFMOHYOPTBIL-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE CCCCCCCC[C@@H](NCC)c1csc(C(F)F)c1 2164298399 VJIPXQWTNQWVHF-CQSZACIVSA-N 303.462 6.087 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(-c2cccs2)s1 2205924851 IWQFZHSNAQJFBZ-CQSZACIVSA-N 307.528 6.098 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(-c2cccs2)s1 2206886273 QITDOYCVLBCFTE-AWEZNQCLSA-N 305.512 6.003 30 10 DKEE C=CCCCCCCCCC(=O)c1nn(C)c(Cl)c1Cl 2207374036 OFSYOELBPPACEQ-UHFFFAOYSA-N 317.260 5.216 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1 2207433960 DFXVRIWOTNOFRI-KRWDZBQOSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCC[C@@H](CCOCc1ccccc1)NCC 2211145409 KGSOSIUWADVLJP-NRFANRHFSA-N 317.517 5.488 30 10 DKEE CC[C@](C)(C#N)Cc1c(Br)sc2ccccc12 2213049940 MTZXCTDPMWMBPO-AWEZNQCLSA-N 308.244 5.146 30 10 DKEE C=C([C@@H](Cc1cc(Cl)ccc1Cl)NCC)C(C)(C)C 2225679997 WCFZRLZPTOTDND-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1scc(C)c1Cl 2235527295 UDPLOGJIMIUCPU-OAHLLOKOSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCNc1ccc(F)c(F)c1Br 2256176544 UJKAFOWVSWQUQG-UHFFFAOYSA-N 318.205 5.276 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(C)c(Br)c(C)c1 2259196144 FCNTVLVVUQRXOD-OAHLLOKOSA-N 310.279 5.202 30 10 DKEE CC#CCC[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967480 PKWKOHFLOLAZSG-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE C=C([C@H](OCCCN)c1cc(Cl)c(Cl)s1)C(C)(C)C 2277152369 GNGSFNMTDYUDPH-LBPRGKRZSA-N 322.301 5.064 30 10 DKEE COc1cc(NCC=CC#CC(C)(C)C)c(Cl)cc1Cl 2284185573 RIYDSZSFGVKZLW-UHFFFAOYSA-N 312.240 5.020 30 10 DKEE C=CCCC[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2295004403 REEOWOHKMHINDM-GFCCVEGCSA-N 305.409 5.472 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1cccc(OCc2ccccc2)c1 2301068567 MTUGJQLXOWTMMD-JOCHJYFZSA-N 321.464 5.295 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(Br)c1Cl 2304041347 NENZRWUXYJXAPR-KBPBESRZSA-N 316.670 5.095 30 10 DKEE C[C@H]1CC[C@H](CSc2cc(Br)ccc2C#N)CC1 2313842028 HPVKTDFXMHIBTK-HAQNSBGRSA-N 324.287 5.239 30 10 DKEE N#CC[C@H]1CCC[C@H](c2c(Cl)ccc(Cl)c2Cl)O1 2317110816 ISJGVIWXFYROHX-LDYMZIIASA-N 304.604 5.171 30 10 DKEE CCCC(CS)(CCC)CN1CCCC(F)(F)C1(C)C 2362189247 BYRBEKZGUKIKEX-UHFFFAOYSA-N 307.494 5.013 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)CCCCC(F)(F)C(F)(F)F 2370489724 FESCNFNYTFINHB-VXGBXAGGSA-N 301.343 5.064 30 10 DKEE Cc1ccc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)cc1C 37155453 JLSVFLACVCLHHH-SOLBZPMBSA-N 301.499 5.750 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 50039236 GXVZCZWIHYKUFI-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE CC(C)c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 100033296 USIJFYOJHIPZGD-XQNSMLJCSA-N 315.416 6.353 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(O[C@@H](C)CC)cc1 100048475 RVQSWYSZWMSYSN-RXVVDRJESA-N 319.533 6.265 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1O[C@@H](C)CC 100048566 BMSUMUCDSNKDOB-ROUUACIJSA-N 305.506 5.875 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(Cl)s1 103971367 XGQQBVWKKOJMLQ-NSHDSACASA-N 309.887 5.853 30 10 DKEE CCCCCCCCCCCCOC(=O)c1sccc1N 109895745 USEFBAHGYUAYFN-UHFFFAOYSA-N 311.491 5.408 30 10 DKEE C[C@H](c1ccc(Cl)cc1)N(C)c1cccc(Cl)c1C#N 110258421 MDMBZMKNNJWKPS-LLVKDONJSA-N 305.208 5.062 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)c1cccc(Cl)c1C#N 110258478 XXWRBOMSITYCPY-LLVKDONJSA-N 305.208 5.062 30 10 DKEE C[C@@H](c1cccc(Cl)c1)N(C)c1cc(Cl)ccc1C#N 110258562 RENLDLXYKJJCPA-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCCC[C@H](O)Cc1c(F)cccc1Cl 112887734 FCUXNNDZFUPUIY-AWEZNQCLSA-N 300.845 5.523 30 10 DKEE CCCCCCCCCCCC[C@@H](CCC(F)(F)F)NC 122547213 ISCMGRKOOMVCFD-INIZCTEOSA-N 309.460 6.228 30 10 DKEE Cc1ccc(Oc2cc(Br)ccc2C#N)c(Cl)c1 123494256 KBOKDHRNVLDCES-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC[C@@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(Cl)cc1 134722836 MEXBWIYAFUWPPU-IAQYHMDHSA-N 304.846 5.075 30 10 DKEE CCCCCCCCCCCCCCCOC(=O)COC 140239375 UCVVZCMBRPQANS-UHFFFAOYSA-N 300.483 5.267 30 10 DKEE in-vitro CCCN[C@@H](C)c1ccc(-c2ccc(C#N)s2)cc1Cl 167298304 PVJGRDHPMSSSPE-NSHDSACASA-N 304.846 5.001 30 10 DKEE CCOc1ccc(/C=N/c2ccc(CCC[C@H](C)CC)cc2)cc1 205816857 FQGVYYNRVYYUKL-KIJZHVTOSA-N 323.480 6.205 30 10 DKEE CCCCCCCCCCc1c(C)[nH]c2c(C)cccc2c1=O 206142898 ATQSCUZKTVHDLM-UHFFFAOYSA-N 313.485 5.828 30 10 DKEE CCCCCCCCCC[C@@H](O)c1csc(C(C)(C)C)n1 229279229 WNYQMNZMNFVRNI-MRXNPFEDSA-N 311.535 6.005 30 10 DKEE CCCCCCCC(=O)c1ccc(C(F)(F)F)nc1Cl 232937125 RLUKRGCSAKWDSI-UHFFFAOYSA-N 307.743 5.297 30 10 DKEE CC(CC(C)=Nc1c(C)cccc1C)=Nc1c(C)cccc1C 252595862 CEMJTVILRPHFPF-UHFFFAOYSA-N 306.453 6.195 30 10 DKEE C[C@@H]1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1 253390291 AEJUOGPJFWDBOL-FXUPPKSJSA-N 300.448 5.276 30 10 DKEE ON=C1CCCCCCCCCC[C@H]1n1cnc2ccccc21 254556519 GQYSIHBPUVRNGW-LJQANCHMSA-N 313.445 5.322 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCC[C@@H](C)C2)cc1Br 314292132 XYCPVRSMFJZTJZ-WBMJQRKESA-N 306.247 5.020 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cc2Cl)C1 322547419 USHMJINBBCMIIS-JRPNMDOOSA-N 314.281 5.804 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1ccc(Cl)c(Cl)c1 387660929 NFRZZEXEXYSEDY-INIZCTEOSA-N 316.272 5.017 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 710652720 DRTGNDZXPQBHDV-GFCCVEGCSA-N 312.162 5.152 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1cccc(Cl)c1 1857938504 ZJWPGPYSJDRQIC-KGENOOAVSA-N 309.796 5.434 30 10 DKEE C=CCC[C@H](C)Nc1ccc(Cl)c(Br)c1Cl 1900313312 UDAAAHKXRFSGKQ-QMMMGPOBSA-N 323.061 5.523 30 10 DKEE C=CC1(Cc2cc(Cl)cc(Br)c2F)CCC1 1900373023 AKGQVNCZXOPYHQ-UHFFFAOYSA-N 303.602 5.140 30 10 DKEE C=CC1(C[C@H](N)c2cccc(OCc3ccccc3)c2)CCC1 1980027467 OVJSAUQDGXMKJD-FQEVSTJZSA-N 307.437 5.012 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(C)c(Br)c1 2043821469 QLLHCWCYQMZGJG-MRXNPFEDSA-N 312.295 5.292 30 10 DKEE Cc1cccc(C)c1[C@H](C)n1nc(C2CCCCC2)cc1C#N 2070117841 PGKUMWPVUFHYMA-INIZCTEOSA-N 307.441 5.029 30 10 DKEE C=C([C@@H](NCCC)c1ncc(Cl)cc1Cl)C(C)(C)C 2096621436 NMUJWQZTWRHLDF-CYBMUJFWSA-N 301.261 5.031 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Cl)cc1Cl 2102112975 WMOMJOGOKQSPHV-BLLLJJGKSA-N 300.273 5.636 30 10 DKEE N#CC1(CNc2c(Cl)cc(F)cc2Cl)CCCCC1 2109989521 QEPRSWVLKSJBLL-UHFFFAOYSA-N 301.192 5.018 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Cl)cc2Cl)CC1 2157121583 WVCXSOBEMKUBTI-QGZVFWFLSA-N 310.268 6.036 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(Cl)c(Cl)c3F)C[C@@H](C1)C2 2197903493 WJOFNAZHZSYWSK-FOSCPWQOSA-N 314.231 5.679 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 2206892713 UGZOQMQVPJDJJY-MRXNPFEDSA-N 318.263 5.833 30 10 DKEE C=CCCCCCCNc1ccc(Cl)cc1C(F)(F)F 2206898268 GIXGMRVUAIVITA-UHFFFAOYSA-N 305.771 5.907 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(C)cc1Br 2227289484 UZNDXKPTNNUCBK-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE Cc1cc(Nc2cc(Cl)c(F)cc2C#N)c(F)cc1Cl 2234748182 DMXJLFKDRADWLJ-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CCCCCCCCC[C@H](O)c1nc(C(F)(F)F)cs1 2234851864 DTRVVFRHHAFZBD-NSHDSACASA-N 309.397 5.336 30 10 DKEE CCC#CC[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265966566 DKJULSVBDLOZQA-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE N#Cc1cccc(Br)c1NCCCCCCC1CC1 2269700590 YKMYXXJBDPPDFT-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CCOc1ccccc1C=CC(=O)c1ccc2ccccc2c1 2322312528 UORNCUAATCXIRA-UHFFFAOYSA-N 314.384 5.301 30 10 DKEE CCC(=NOCCCc1ccccc1)c1ccc(C(C)C)cc1 2330251393 DYILOMULQZWKLQ-UHFFFAOYSA-N 309.453 5.574 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)sc1CNC(C)C 2335244129 DGQWLVHCZNJNNI-UHFFFAOYSA-N 315.935 5.512 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(C)c(Br)c1 2344336110 GMLPMEVDWFILGH-INIZCTEOSA-N 324.306 5.401 30 10 DKEE CCCN[C@@H](C#Cc1cccs1)c1ccc(Cl)cc1Cl 2363706347 LQSAPNUCRJLYFL-INIZCTEOSA-N 324.276 5.147 30 10 DKEE Cc1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)c(C)c1 37346249 IBBIKOLJVXXWAX-HNNXBMFYSA-N 318.203 5.100 30 10 DKEE C=C(C)COc1ccc2ccccc2c1CNCc1ccccc1 66115530 ISUMBGRLMRYQKZ-UHFFFAOYSA-N 317.432 5.085 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426758 PVCLUVJIHYRAPI-SGMGOOAPSA-N 308.878 5.182 30 10 DKEE CC(C)(C)[C@H]1CCC[C@](C#N)(Nc2ccc(Cl)cc2)CC1 86959619 PDRTVIJOGSICMZ-KSSFIOAISA-N 304.865 5.641 30 10 DKEE SCCCCCCSc1ccc(Br)cc1 87096714 HNJFWXSBQVDWMH-UHFFFAOYSA-N 305.306 5.031 30 10 DKEE CC[C@H](C)c1ccccc1OCC1(CS)CCCCCC1 94583190 PIXXMBFCBZCANN-INIZCTEOSA-N 306.515 5.849 30 10 DKEE N#Cc1ccc(SCc2ccc(SC(F)F)cc2)cc1 109541085 TVMKXDJQAAVVDS-UHFFFAOYSA-N 307.390 5.165 30 10 DKEE CCCCCCC[C@@H](CNC)c1ccccc1Br 118663374 IEJBRDPAKQBTNH-AWEZNQCLSA-N 312.295 5.113 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(C)ccc1Br 125700680 JPIDLNRYVHHBKT-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1C#N)c1cc2c(s1)CCCC2 129378767 LAYISSSPSYUDAL-NSHDSACASA-N 316.857 5.325 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(F)c(Cl)cc1F 158993177 VOWUZGUDWLOFMG-MRXNPFEDSA-N 303.824 5.629 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(F)cc1Br 159103532 RPLICYORUUCDOV-HNNXBMFYSA-N 316.258 5.339 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(Br)c(C)c1 159123236 LLJULGMDXCXQIF-MRXNPFEDSA-N 312.295 5.508 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(C)ccc1Br 167703448 GFEALUVIVDUMQT-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C#C[C@@H](CCC)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 229908419 NBCSKYWRKZJXDD-ZJUUUORDSA-N 304.648 5.099 30 10 DKEE CC[C@H](Nc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 234039744 LEALRGKRAFXPBC-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE C=CCCC[C@@H](C)N[C@H](CC)c1cccc(Br)c1 398146136 BTTDUAMXVOAVDS-CZUORRHYSA-N 310.279 5.235 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)cc1 406849978 XFSBHVMTWJQMKR-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CCCCCCCCCCNC(=O)CCCOc1ccccc1 1861876891 XNKWRQDDLOAQRI-UHFFFAOYSA-N 319.489 5.103 30 10 DKEE N#Cc1cc(Cl)cc(OCc2cc(Cl)cc(Cl)c2)c1 1893166538 WAOKYMYTPKFEFM-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)c1cccc(Cl)c1 1917905570 IZDQLTYQIAJKCP-FQEVSTJZSA-N 315.910 5.886 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(Br)cs1 1920164852 WJMSKINKJRHJRT-CQSZACIVSA-N 318.324 5.435 30 10 DKEE CCCCCCC[C@@H](O)C1(C)CCN(Cc2ccccc2)CC1 1939418388 AQRKLLFAEWZJRI-HXUWFJFHSA-N 317.517 5.010 30 10 DKEE C=C([C@@H](N)c1cc(Cl)c(C)cc1Br)C(C)(C)C 1947440463 VNZRGTQARWAIHV-CYBMUJFWSA-N 316.670 5.013 30 10 DKEE CN(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCCCCC2)CC1 1986906787 LALRVTMSTIAQAQ-UHFFFAOYSA-N 320.477 5.030 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc2c(c1)CCCC2 1990881130 JMMKDNWDQADWKL-UHFFFAOYSA-N 305.465 5.144 30 10 DKEE C=CCCCCCCNCc1cc(C)c(Br)s1 2023697525 GQOKSHUSMMHNQG-UHFFFAOYSA-N 316.308 5.045 30 10 DKEE Oc1ccc2oc3c(c2c1C=NC1CCCCCC1)CCCC3 2053505972 YHRQKZGZFFFNJA-UHFFFAOYSA-N 311.425 5.159 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1ccccc1Br 2085917513 QEMBUAPWFDJNHE-MRXNPFEDSA-N 311.263 5.183 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1c(C)cccc1Br 2102112602 UCOKIKPIDHZESW-RHSMWYFYSA-N 324.306 5.401 30 10 DKEE CCCCCCCCNc1cc(Cl)c(F)c(Cl)c1F 2135964407 XFFBINJNYRRYNM-UHFFFAOYSA-N 310.215 6.044 30 10 DKEE C=CCC(C)(C)OC(=O)c1sc2cc(F)ccc2c1Cl 2187253574 VMIPOWKCUBAODX-UHFFFAOYSA-N 312.793 5.205 30 10 DKEE C=CC1(CN[C@@H](C)c2cccc(Cl)c2Cl)CCCCC1 2189519397 WNBAEOJUYPDFHM-ZDUSSCGKSA-N 312.284 5.781 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Cl)cc(C(F)(F)F)c1 2200837835 RHPYPHDPFMVPHA-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1OC 2203433854 SZZNYAZGELHFQL-AWEZNQCLSA-N 319.272 5.786 30 10 DKEE C=CCCCCCCC[C@H](O)c1cscc1Br 2214614326 XZHATSSCBJPAJP-AWEZNQCLSA-N 317.292 5.461 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(Br)cc1N 2227284597 IEWWMQFCYXEEQV-UHFFFAOYSA-N 324.262 5.131 30 10 DKEE CCCCCCCC[C@]1(C)Nc2cc(Cl)cc(Cl)c2O1 2240557282 WNJSNDPQZPKTLI-MRXNPFEDSA-N 316.272 6.265 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cccc(C(C)(C)C)c1 2245439685 HLNPJHBKBCHPCJ-UHFFFAOYSA-N 307.481 5.562 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2270993771 ZGZHQMRTIBBIGR-MRXNPFEDSA-N 300.273 5.699 30 10 DKEE CCCCCCC[C@@H]1CCC[C@@H](C(F)(F)C(F)(F)F)N1 2286755172 KTDHYBPUJZMULK-NEPJUHHUSA-N 301.343 5.055 30 10 DKEE C=C([C@H](OCCCN)c1ccc(Cl)c(Cl)c1)C(C)(C)C 2294253071 XUFLFNFROONMGQ-HNNXBMFYSA-N 316.272 5.002 30 10 DKEE CC(C)c1ccc(C(=O)C=CNc2cccc(Cl)c2F)cc1 2296875914 LOZGEZBLKQANNI-UHFFFAOYSA-N 317.791 5.411 30 10 DKEE C=CCC(CC=C)SCc1ccc(F)c(Br)c1 2298918397 ZEUYIPNKOIEPDV-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1scc(Br)c1C 2304040469 GMCZLQWEJNLNSS-CYBMUJFWSA-N 316.308 5.072 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ccccc1Br 2344342940 MIGNQCCDCYQRNP-IRXDYDNUSA-N 324.306 5.482 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(F)c(Cl)cc1Cl 2349860328 SYSJAYZIJNMDKC-HNNXBMFYSA-N 304.236 5.659 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCCC)c1cc(F)cc(Cl)c1 2360209104 YEAAUFIOOQWPKL-WBMJQRKESA-N 315.885 5.218 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1ccc(-c2cccs2)s1 2364083400 LJNGKXMWZAKIAI-KRWDZBQOSA-N 303.496 5.506 30 10 DKEE CCCCCCCCCCCCCCC[C@H]1CCC[C@H](N)C1 100306311 PFHBAWRUQBDPAQ-SFTDATJTSA-N 309.582 6.985 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(F)cc1F 109901037 XSRXBYFFDOWTGK-GFCCVEGCSA-N 305.393 5.416 30 10 DKEE CCCCCCCO[C@H](CNCCC)c1ccccc1Cl 110067896 GKQNLDXYAJUITN-GOSISDBHSA-N 311.897 5.368 30 10 DKEE CC(C)(C#N)CCCCn1ccc2c(Cl)cc(Cl)cc21 232527963 JTZXFNNXZOWFNB-UHFFFAOYSA-N 309.240 5.668 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(Cl)cc1Cl 233608508 UHFUZYQOLSMVJQ-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE N#CC1(c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC1 687773003 UWAJXOZYEIRUAJ-UHFFFAOYSA-N 315.414 5.509 30 10 DKEE CC(C)=C(CSc1cccc(C)c1)B1OC(C)(C)C(C)(C)O1 1901632578 LDLBVSKYAXKWAT-UHFFFAOYSA-N 318.291 5.055 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(Br)ccc1C 2040531284 WZLULWPBHRQQIP-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1cc(Cl)c(Cl)s1 2045992564 MBVMQDABQOZCFN-AAEUAGOBSA-N 306.258 5.198 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Br)cc1 2085842502 RLFUKNSXZMUCIV-MRXNPFEDSA-N 310.279 5.366 30 10 DKEE Cc1cccc(CC2(C=O)CCCCCCC2)c1Br 2087879398 IZBRNIKFLGKJDK-UHFFFAOYSA-N 323.274 5.230 30 10 DKEE CCCCCCCCCCCCS[C@H](C)[C@@H](C)C(=O)O 2145195679 YKCSGXHNGYGGRC-HZPDHXFCSA-N 302.524 5.750 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1ccc(Cl)c(Cl)c1 2148586075 GXURCYIYJQHBSQ-CVEARBPZSA-N 318.288 5.105 30 10 DKEE SCCCCCCCCCN1CCC[C@H]1c1cccs1 2169971330 XKDOAMAWKDHIOC-INIZCTEOSA-N 311.560 5.546 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)c(F)cc1F 2179366987 KAHMCIJWXVJGSG-INIZCTEOSA-N 303.824 5.759 30 10 DKEE Cc1cc(Nc2cc(Cl)c(F)cc2C#N)c(C)cc1Cl 2184421442 WCHVIRZGQNGOCQ-UHFFFAOYSA-N 309.171 5.365 30 10 DKEE C=CCCCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1 2206900303 SCVPDHPUONDOQR-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H](O)c1cscc1Cl 2207433752 AMCZFSFREUPPKV-HOTGVXAUSA-N 315.910 5.069 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1cc(Cl)cs1 2207450507 UZSPAFBXPBZMLD-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCCN(C)c1ccc(Br)cc1 2220097606 SFKLELUMXUWRIN-UHFFFAOYSA-N 310.279 5.412 30 10 DKEE CCCC#C[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2233783796 XGEWQKRNQNXKBT-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CCCCCOC[C@@H](NCC)c1ccc(Cl)cc1Cl 2234040005 DACUJHSFCLYRKE-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE C=C(CC)C[C@@H](NCC)c1sc(Br)c(C)c1C 2247223069 IDAREXXVBJZFGH-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=C(C)CCCC[C@H](O)c1sc(C)c(C)c1Br 2250151835 JSVMBJVRWZAXIC-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE C=C(C)CCCC[C@H](N)c1c(C)sc(C)c1Br 2250162578 ZZLYYECDQGQGRM-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE Cc1ccc(OCCCCCCCS)c(Br)c1 2252620344 FDKPUJMNTAVFEA-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE CCCCCCSc1ccc(C#N)c(Br)c1F 2252960748 WUPRWKSMCQUVPU-UHFFFAOYSA-N 316.239 5.132 30 10 DKEE C=CCCCCCCCSc1cc(Cl)sc1CO 2259942775 JCISPKGSWLUSQL-UHFFFAOYSA-N 304.908 5.513 30 10 DKEE C[C@H]1CC([C@H](C#N)c2ccc(Br)c(F)c2)C[C@H](C)C1 2271530945 XBTIUGZAMWUEMY-JTNHKYCSSA-N 324.237 5.268 30 10 DKEE C=CCCCS[C@@H]1CCCCCCC(F)(F)[C@@H]1NCC 2287069245 PWIJGPMJMNQFOU-HUUCEWRRSA-N 305.478 5.022 30 10 DKEE CCCCCCCCOCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2301858376 GHAXLZKECZGFNR-UHFFFAOYSA-N 324.314 5.331 30 10 DKEE C=C(C)CCCC[C@H](NC)c1csc(C)c1Br 2303637249 OESPRZSSEXJTPD-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CCCCc1ccc(C(=O)C=Cc2ccc(O)c(Cl)c2)cc1 2325790664 LXQYLUPJIDHOAK-UHFFFAOYSA-N 314.812 5.284 30 10 DKEE CC(C)c1ccc(C(=NOCc2ccc(F)cc2)C2CC2)cc1 2330303401 QLGIJGZKBQIQLU-UHFFFAOYSA-N 311.400 5.280 30 10 DKEE C=C(CC)C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340804480 GTSYMRILYCZFEI-AWEZNQCLSA-N 304.236 5.530 30 10 DKEE C=CC[C@@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341123566 WYGOTBRDUKNYHQ-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=C(C)C[C@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2349899401 XWNHEOOYTZFPSX-GFCCVEGCSA-N 304.236 5.009 30 10 DKEE CC(C)(C#N)c1ccnc(Sc2cc(Cl)ccc2Cl)c1 2363646684 XSIYQLAIRISHDI-UHFFFAOYSA-N 323.248 5.341 30 10 DKEE C#CCCCCCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 2364149445 SSGAUKQAHLIPHH-LBPRGKRZSA-N 316.247 5.367 30 10 DKEE C=C[C@@H](C)C[C@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2366841933 JLLYWHPYTLYZLL-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE SCCCCCCCCCOCC1CCCCCCC1 2368744122 CXXSVYWHJRIDRF-UHFFFAOYSA-N 300.552 6.024 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Cl)cc1C(F)(F)F 2370618612 OPSYNWCPJQQZAT-ZIAGYGMSSA-N 306.755 5.385 30 10 DKEE CC(C)(C)c1cc(/C=C\C(=O)c2ccccc2)cc(C(C)(C)C)c1 33752284 UYUZSHDRJWFQML-SEYXRHQNSA-N 320.476 6.178 30 10 DKEE Clc1cc(Cl)cc(/N=C2/NC3(CCCCC3)CS2)c1 53097625 GMBNNKVUUHARKI-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE CCCCCCC[C@H](Cc1ccc(Cl)cc1Cl)NC 103933917 YJYRZMFOFAJBDK-OAHLLOKOSA-N 302.289 5.484 30 10 DKEE CCCC#CCCc1cc(OCCC)c(OCCC)cc1F 107489376 HVFSSHKVHVBANU-UHFFFAOYSA-N 306.421 5.139 30 10 DKEE CCCCCCCCSc1cccc([C@H](C)NCCC)c1 113917330 OBNKESALAKBLGC-KRWDZBQOSA-N 307.547 6.200 30 10 DKEE CCCCCCC[C@H](Cc1cccc(F)c1Cl)NCCC 122243705 MZGQMKMOCDBRFS-MRXNPFEDSA-N 313.888 5.750 30 10 DKEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC1(CS)CCCCCC1)C2 127082587 BRUHATQMLOAOTQ-JZXOWHBKSA-N 310.547 5.488 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1snnc1CC 143465365 ZHUDSLMGNPWJOM-INIZCTEOSA-N 311.539 5.282 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1cc(Cl)ccc1OC 161966879 AGZRRNFSSQPESY-QGZVFWFLSA-N 311.897 5.359 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(C(F)(F)F)ccc1F 164696056 SQGLOFKXRRJFDW-HNNXBMFYSA-N 303.343 5.242 30 10 DKEE C=CC[C@@H](C)/C=C\N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 213465345 OGGFNNGFVRVXCP-SEWDUPMJSA-N 317.429 5.163 30 10 DKEE C=CC[C@H]1CCC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C 221053661 ZFYFRNMMJJEPEC-DLBZAZTESA-N 301.430 5.093 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Br)ccc1C#N 232933247 UHGGUXJHMZEWRC-CYBMUJFWSA-N 323.278 5.482 30 10 DKEE C=CCC(C)(C)CN[C@H](C)c1cc(F)c(Cl)cc1Cl 311700529 LXCCNBDCPXXICI-SNVBAGLBSA-N 304.236 5.385 30 10 DKEE C=CCCC[C@H](NCC)c1ccccc1OCc1ccccc1 382020320 XRRDOGCMYNYFTI-FQEVSTJZSA-N 309.453 5.273 30 10 DKEE CC(C)(C)[C@H](C#N)CNc1cc(Cl)c(Cl)c(Cl)c1 404242154 GLVFUPFBFKQEJC-MRVPVSSYSA-N 305.636 5.245 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(F)c(Cl)c1F 689604802 FTJUGILCZIJTHS-AWEZNQCLSA-N 303.824 5.759 30 10 DKEE Cc1ccc(-c2ccc(C#CC(F)(F)C(F)(F)F)s2)s1 1088689626 WVFXUTDBCZWFEU-UHFFFAOYSA-N 322.323 5.334 30 10 DKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 1874719093 AMFOCKGPGYQOKM-YCRREMRBSA-N 300.785 5.065 30 10 DKEE N#CC1(Cc2cc(Cl)cc(Cl)c2)CCC(F)(F)CC1 1893175392 GQEHAZIXTYBDNI-UHFFFAOYSA-N 304.167 5.255 30 10 DKEE C=C(Br)CCOCc1ccc(Cl)c(Cl)c1C 1901224403 LRMYMRFVLYNSPQ-UHFFFAOYSA-N 324.045 5.117 30 10 DKEE C=C(COCc1ccccc1)C1(O)CCC(C(C)(C)CC)CC1 1922115845 KWMFCGTZWFIJFP-UHFFFAOYSA-N 316.485 5.117 30 10 DKEE CCCCCCCCCNC1(CCOCc2ccccc2)CC1 1937178835 DESSHERJHLHOKV-UHFFFAOYSA-N 317.517 5.466 30 10 DKEE CCCCCCCC[C@H](NCCC)C(F)(F)Br 2026317252 UOUOVVJPLZNFGX-LBPRGKRZSA-N 314.258 5.093 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](CC)c1ccc(Br)cc1 2035363557 KVMGCPSIACSEDO-CJNGLKHVSA-N 310.279 5.235 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](CC)c1ccc(C)cc1C 2070156533 GAGICUTVAQQJPF-QFIPXVFZSA-N 314.432 5.148 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ncc(Cl)cc1Cl 2102109887 BYEJEGATBPJOHP-RISCZKNCSA-N 301.261 5.031 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(C(F)F)cs1 2161345259 KLDGXMFWSIDDBY-ZDUSSCGKSA-N 304.450 5.331 30 10 DKEE C=CCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2179681668 MUPWJPUBNOYKDX-OAHLLOKOSA-N 314.300 5.651 30 10 DKEE CCCCCC#CC[C@H](NCC)c1ccc(Cl)cc1Cl 2203787208 JXJBGZJSJXJOQP-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1cc2sccc2s1 2205544133 RAZUGLCDGHUSQR-WBMJQRKESA-N 311.516 5.074 30 10 DKEE CCCCCC#CC[C@H](N)c1ccc(-c2cccs2)s1 2205867898 YCACVDNSIOCGJN-AWEZNQCLSA-N 303.496 5.450 30 10 DKEE C=CCCCCCC[C@H](NCC)[C@H]1SCCS[C@@H]1CC 2206898763 IZOHVEUYJINCPT-GVDBMIGSSA-N 315.592 5.118 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1cc2cscc2s1 2206899857 NRTNFHGTVSQSRI-MRXNPFEDSA-N 308.468 5.092 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)c(Cl)c1 2224389958 AJEUFELVYHGWQR-CQSZACIVSA-N 322.707 6.268 30 10 DKEE CCC[C@@H](CS)CSc1nc(-c2ccccc2)cs1 2225898824 VCEKTOMLLPMTBR-LBPRGKRZSA-N 309.525 5.248 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1)c1cccc(Cl)c1Cl 2232424227 RIFKNLOOMGUXMM-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(F)c(Cl)cc1F 2235526286 JKZRUXTVAMJARQ-INIZCTEOSA-N 301.808 5.535 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)Cc2cccc(Cl)c2Cl)CC1 2235754099 PMTPKLYUKHOFEO-LBPRGKRZSA-N 311.252 5.488 30 10 DKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)c1cc(Cl)cs1 2239458337 ZPWGQBGTWZGJJS-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE CCCCCCCCC[C@@](C)(N)CCCOCc1ccccc1 2246061138 PFFBSYJQHHBVNC-OAQYLSRUSA-N 319.533 5.842 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccc(Br)cc1C 2259237357 MNHKWEZXDHAXGJ-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1c(F)cccc1Br 2260961259 FRFHBIQPPNEQEL-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE CC(C)c1cc(Br)cc(C(=O)C2=CC[C@@H](C)CC2)c1 2265965813 TYCFVPUJRXONGE-GFCCVEGCSA-N 321.258 5.502 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(Cl)c(OC)cc1Cl 2266788769 GVHXWDDXRZORTC-CQSZACIVSA-N 303.229 5.172 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2273981533 CLSHIPKLENGFOL-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE CCC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 2330246110 ADQSLWUSBNJNRD-UHFFFAOYSA-N 309.453 5.623 30 10 DKEE C=C[C@@](N)(c1c(C)c(C)c(Br)c(C)c1C)C(C)(C)C 2346044329 GUDRFMIFBFKHTE-QGZVFWFLSA-N 324.306 5.069 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1ccsc1C(F)(F)F 2364082954 HYJUXGIHJBIRML-ZDUSSCGKSA-N 303.393 5.186 30 10 DKEE C=C1CCC(CN(C)Cc2cc(F)c(Cl)cc2Cl)CC1 2377625983 WQJQRZAINHRQJV-UHFFFAOYSA-N 316.247 5.311 30 10 DKEE O=C1/C(=C/c2cccs2)[C@@H](c2ccccc2)c2cccc(F)c21 5279846 CRPNBNMNMPHDMA-QIPRVMPFSA-N 320.388 5.299 30 10 DKEE Cc1ccc(C)c(/N=C/c2cccc(OCc3ccccc3)c2)c1 8368264 SHYPEBWHXGFDMV-HZHRSRAPSA-N 315.416 5.633 30 10 DKEE CC(C)c1ccc([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@H]32)cc1 20697748 KPGTYSGPBBTJDK-KNKQGSTJSA-N 314.432 5.508 30 10 DKEE C#Cc1cccc(N[C@@H](Cc2cccs2)c2cccs2)c1 37185289 BUIXXYUZZFEETL-KRWDZBQOSA-N 309.459 5.187 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1cc(Cl)cc(Cl)c1 37938344 NECOIYWEFGYCDW-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE Fc1cccc(Cl)c1/C=N/Nc1cc(Cl)ccc1Cl 59166813 KOXABXQPYBYHMN-CNHKJKLMSA-N 317.578 5.232 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cc1 83204905 HFVPHLUNRJDTGF-VGOFMYFVSA-N 324.420 5.159 30 10 DKEE CN(Cc1cccc(Cl)c1)CC1(CS)CCCCCC1 94580248 PJZHJTOIQFKFNL-UHFFFAOYSA-N 311.922 5.042 30 10 DKEE CCCCCCCCNCc1ccccc1OCCCCCC 100048929 JYKMELJWGBWFFX-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE CCCCCCCCCCn1cc2ccc(C(=O)O)cc2c1 104680821 OPUYNCCFALXSRG-UHFFFAOYSA-N 301.430 5.480 30 10 DKEE CCCCCCCCC[C@H](Cc1cccc(Cl)c1)NCC 112890499 DSDZWJCIUHQUKX-LJQANCHMSA-N 309.925 6.001 30 10 DKEE COC(=O)c1ccc(C#CCCCCCCc2ccccc2)cc1 118819523 IOOWSLRITYUPKE-UHFFFAOYSA-N 320.432 5.018 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Br)c(C)c1 158127403 KEJQJGJMTQIODW-MRXNPFEDSA-N 312.295 5.379 30 10 DKEE Cc1cc(Oc2cccc(Cl)c2C#N)ccc1Br 161505039 VHXBHPJEOPOQBM-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Cl)cc(Br)c1 233162130 ODGYGMPJFSNXJF-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C[C@@]12CCCC[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)CC#N 253621856 JPDIISCNKYBMAY-SUZJGXHKSA-N 315.501 5.064 30 10 DKEE N#C[C@H](Nc1cccc(Br)c1)C1CCCCCCC1 311270637 AREOHTXIIAIFJR-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCCCCCCCC[C@@H](Cc1sccc1Cl)NCC 312886617 VQWUJWQYGDYRMZ-HNNXBMFYSA-N 315.954 6.063 30 10 DKEE CCCCCCCCC[C@@H](NC)c1coc(Br)c1 378928005 UMEFGOBBUUORCD-CQSZACIVSA-N 316.283 5.443 30 10 DKEE C=CCCCCCC(=O)c1cc(F)c(F)cc1Br 380651292 YKJMMXAOUDUNKB-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE CCc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 606208318 UQYOXDJGQWAELB-ATVHPVEESA-N 312.412 5.812 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1Nc1nc(Cl)c(Cl)cc1Cl 692234547 JWUXMVZGCBLLBZ-SKDRFNHKSA-N 319.663 5.589 30 10 DKEE C[C@H]1CC([C@H](C#N)c2cccc(Br)c2)C[C@H](C)C1 719361567 OTBUXIWSQGNZEN-XHBSWPGZSA-N 306.247 5.129 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc(C)ccc2Br)CC1 724598822 FRNYLMJNBGIKHV-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CCCCCCCCC(=O)Nc1nnc(C2CCCCC2)s1 1866090478 QMFGBRMGKPBMQY-UHFFFAOYSA-N 323.506 5.275 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874597966 MSGYVAQIOOUQCU-MDWZMJQESA-N 320.432 5.661 30 10 DKEE C=CCC[C@H](C)N(C)CCSc1cc(Cl)ccc1Cl 1884130820 MHJOBTWMESCWND-LBPRGKRZSA-N 318.313 5.372 30 10 DKEE CCCCCCCNCc1cccc(SC(F)(F)F)c1 1912880177 HGOJUPRMLLFUOG-UHFFFAOYSA-N 305.409 5.359 30 10 DKEE CCCCCCCC[C@]1(N)CCc2c(Br)cccc21 1920443696 HRQLIVODGBASRH-KRWDZBQOSA-N 324.306 5.300 30 10 DKEE C[C@@](O)(c1ccc(Cl)cc1Cl)C1(C#N)CCCCCC1 1921086755 NRBULUQDIDTBDT-OAHLLOKOSA-N 312.240 5.065 30 10 DKEE C=CCCCCCCCCCOCCCNCc1ccccc1 1995328488 RXQRNKUCDWRQGL-UHFFFAOYSA-N 317.517 5.490 30 10 DKEE C=CCCCCCCNc1ccc(Cl)c(Br)c1 2026015884 XTZOJYKNTDMYEK-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE N#CC1(Sc2cccc(Br)c2)CC(CC2CC2)C1 2050057783 SXSPVJNQSYEKAH-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE CCCCCCCCCC(=O)c1cnccc1Br 2057531770 BYMFHDXDTWPKHF-UHFFFAOYSA-N 312.251 5.168 30 10 DKEE CCC1CCC(C=O)(Cc2cccc(Br)c2C)CC1 2087381530 TYMOCKPMPKOEQM-UHFFFAOYSA-N 323.274 5.086 30 10 DKEE CC1(CCNc2ccc(C#N)c(Br)c2)CCCCC1 2094204472 GCOAFLJDYZIJAV-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2ccccc2Br)CC1 2125218638 UJYFUQFRTPVFCH-ZDUSSCGKSA-N 321.258 5.404 30 10 DKEE CCCCCCC[C@@H](C)NCc1cscc1C(F)(F)F 2151832216 YNLJSDALSSTPRT-GFCCVEGCSA-N 307.425 5.606 30 10 DKEE CCCCCCCCCCN[C@H]1CC[C@H](P(C)(C)=O)C1 2160799478 AYFLASCZAVTFTP-IRXDYDNUSA-N 301.455 5.261 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1ncc(Cl)s1 2164221202 NHLHWKIIMNRLBR-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE O=C[C@]1(Cc2cc(Cl)ccc2Cl)CCCCC12CCC2 2173679469 ZQNZAGUAWXXYFB-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE N#C[C@]1(Cc2ccsc2C(F)(F)F)CCCC(F)(F)C1 2184839266 CSUKSPMJXKSDND-NSHDSACASA-N 309.303 5.029 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(F)cc1Cl 2204262530 FDRDSYHXWGCKHH-INIZCTEOSA-N 321.263 6.307 30 10 DKEE C=CCC(C)(C)NCc1c(Br)sc2ccccc12 2217909634 JVUJUGVXOFDLEX-UHFFFAOYSA-N 324.287 5.108 30 10 DKEE CCCC(CS)(CCC)COc1cc(Cl)cc(OC)c1 2233996697 HFROYWHKBAUZBH-UHFFFAOYSA-N 316.894 5.244 30 10 DKEE C=C(COCC[C@@H](C)CCCC(C)C)B1OC(C)(C)C(C)(C)O1 2248814604 CUVSTNYOBXNGFR-INIZCTEOSA-N 324.314 5.043 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(Cl)c(OC)cc1Cl 2281532728 SHJCGKDORYOUKC-OAHLLOKOSA-N 317.256 5.562 30 10 DKEE CCN[C@H](CC=CC#CC(C)(C)C)c1cc(C)c(Cl)s1 2284103188 NRZZBESXJQABBB-CQSZACIVSA-N 309.906 5.356 30 10 DKEE CN(CC=CC#CC(C)(C)C)Cc1cc2cscc2s1 2284178471 MIALRVUCIJOZPY-UHFFFAOYSA-N 303.496 5.000 30 10 DKEE CCCCCCC[C@H](OCCN)c1cccc(Cl)c1Cl 2293667406 OREKIZKHBZDHTG-HNNXBMFYSA-N 318.288 5.370 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1ccccc1OCc1ccccc1 2301065346 CNZUFBAHCNHPPM-QFIPXVFZSA-N 321.464 5.295 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(O)ccc1Br 2321049929 RTNRLPNCGPGRPM-LBPRGKRZSA-N 314.267 5.316 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322681206 XKDIYUYEYNMNQO-UHFFFAOYSA-N 322.448 5.669 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1c(Cl)ccc(Cl)c1OC 2344461211 YHKOVWXECRPQSE-CABCVRRESA-N 303.229 5.028 30 10 DKEE CC(C)CCOc1ccc(/C=C2\CCc3ccccc3C2=O)cc1 3362592 LZACCZSESHVZAC-XDJHFCHBSA-N 320.432 5.324 30 10 DKEE CC(C)c1ccc([C@@H](C#N)C(=O)c2ccc(Cl)s2)cc1 51172142 OEKPFZCWYHFFFE-CYBMUJFWSA-N 303.814 5.015 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Sc1cccc(Br)c1 55307769 IELDFHQZZILYQW-BXUZGUMPSA-N 310.260 5.014 30 10 DKEE CCCCCCCCCCCCCCCC[C@H](CC)C(=O)O 100306455 OHIOERKSFVRABL-IBGZPJMESA-N 312.538 6.969 30 10 DKEE O=C(/C=C(/Nc1cccc2ccccc12)C(F)F)c1ccccc1 103997973 KJMKUZNZWIGHKD-QGOAFFKASA-N 323.342 5.284 30 10 DKEE CCCCCCCCOc1ccc(CNC(C)C)cc1Cl 110095899 WVHLVQQREYQKIC-UHFFFAOYSA-N 311.897 5.577 30 10 DKEE Cc1cc(Br)ccc1Nc1ccc(C#N)c(Cl)c1 110251748 XLSAZBXLKSNUPP-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@@H](NC)c1c(F)cc(F)cc1F 115856323 NFQFZIWCZVDIRO-MRXNPFEDSA-N 301.396 5.505 30 10 DKEE C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)s1 134679004 MAJIQYIXBXTQDX-GTNSWQLSSA-N 316.857 5.075 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1 157927360 XEKFZGOGHDXKEQ-INIZCTEOSA-N 302.289 6.134 30 10 DKEE CCCCCCCCOCc1ccc(O)c2nc(C)ccc12 205166909 LFVZCNJLIDUKBW-UHFFFAOYSA-N 301.430 5.126 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cn2)C1 227472978 RZLXAHMCSQLYSE-NFAWXSAZSA-N 322.905 5.572 30 10 DKEE O=C(c1ccccc1)c1ccccc1N=Cc1c[nH]c2ccccc12 252461085 KJEQWBYLLJNZAJ-UHFFFAOYSA-N 324.383 5.150 30 10 DKEE CCc1ccccc1N=C(Oc1ccc(F)cc1)c1ccccc1 254572487 GYGZPCLGWMFQCB-UHFFFAOYSA-N 319.379 5.545 30 10 DKEE N#Cc1ccc(Sc2cc(Cl)cc(Cl)c2)c(Cl)c1 302628872 CJKSIPFWJSVANY-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)cc1 406859753 RQEUXCSQCWESIK-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CC(C)(C)C[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698455590 DSAIPTYIRFBSGG-LJQANCHMSA-N 322.493 5.275 30 10 DKEE Cc1cccc(C#N)c1Oc1cc(Cl)ccc1Br 708118843 ISHVEHBUROKVPE-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCC[C@@H](N)c1sncc1Br 712239383 NDMAEORLLQXNPW-GFCCVEGCSA-N 319.312 5.046 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 715733084 NBLBMSQAKWTHMM-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CC/C(=N\OCc1ccccc1Cl)c1ccc(SC)cc1 821227775 XQFRXWUASUYPFH-HTXNQAPBSA-N 319.857 5.393 30 10 DKEE C=CCN(C(=O)c1ccc(F)cc1)C1CCC(C(C)(C)C)CC1 1860017347 FCEOVQBJAOQOJA-UHFFFAOYSA-N 317.448 5.059 30 10 DKEE CCCCCCCCCCOC[C@H](C)NCc1ccccc1 1914603647 HNHWAJQMNAMROV-IBGZPJMESA-N 305.506 5.322 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc(Cl)sc1Cl 1919872841 UFUVKYIBHHBLPS-HNNXBMFYSA-N 323.329 6.403 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(C)cc(C)c1 1922092878 XATDRDZAPRMNFN-QFIPXVFZSA-N 323.480 5.117 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCC[C@H](C)C1 1980285036 CUMGNTMFWJQFCV-YIOZNXECSA-N 322.493 5.131 30 10 DKEE C#CC(C)(C)C[C@@H](NCCC)c1scc(Cl)c1Cl 2048690265 OFQSHTIYHBJCSP-LLVKDONJSA-N 304.286 5.145 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2ccc(C)c(Br)c2)C1 2125729148 PAMUZULNTFORNY-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE CC#CCCC[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2194059522 PIRBHUVQLFYAGY-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE CC#CCCCCC(=O)c1ccc(C(F)(F)F)cc1Cl 2196211164 PEVPEFLXDGNYRR-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE C=C(c1ccccc1)[C@H](NCCC)c1ccc(SC)s1 2197142649 SOYQPXGWGNRWAY-KRWDZBQOSA-N 303.496 5.224 30 10 DKEE C=CCCCCCCCCC(=O)c1cc2sccc2s1 2207434153 DUDUWUSDSUDSON-UHFFFAOYSA-N 306.496 6.452 30 10 DKEE C=CCCN(CCC1CC(OC(C)(C)C)C1)Cc1ccccc1 2210217670 YUDVIYUGPOSVPV-UHFFFAOYSA-N 315.501 5.049 30 10 DKEE C=CC[C@H](C)[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2225676515 ZITOVQSBVRSHHV-LRDDRELGSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@H](N)c1cnc(C(F)(F)F)s1 2235512857 GNHKTHUUKDTWBT-NSHDSACASA-N 306.397 5.078 30 10 DKEE C[C@H](CC(=O)[C@@H](C#N)c1cccc(Cl)c1Cl)C(C)(C)C 2235756215 IOPHQCWPBHOXMA-PWSUYJOCSA-N 312.240 5.242 30 10 DKEE N#Cc1c(Cl)cccc1SCCCCCCCC1CC1 2239336209 IMPIPRKSJIZWOD-UHFFFAOYSA-N 307.890 6.054 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)cc(F)c1Cl 2239711851 RKTXHRWFPRHQFO-HNNXBMFYSA-N 320.279 6.273 30 10 DKEE CCCCCCCC[C@H](NC)c1cocc1Br 2249421121 CIJPWQADZVEIJW-AWEZNQCLSA-N 302.256 5.053 30 10 DKEE C=C(C)CCCC[C@H](OCCCN)c1cc(C)c(Cl)s1 2292779389 OEDPUZRNYIMRFD-AWEZNQCLSA-N 315.910 5.253 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1cc2sccc2s1 2295578564 AAAHIWCCEQPKFK-QGZVFWFLSA-N 309.544 6.277 30 10 DKEE C=C1CC([C@@H](NCCC)c2cc(Cl)c(C(F)F)s2)C1 2345150196 VZMGJJSEXBMRMF-GFCCVEGCSA-N 305.821 5.346 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc2sc(C)cc2s1 2364094873 HRDZLLZSWYELNS-QGZVFWFLSA-N 305.512 5.690 30 10 DKEE CCCCCCCC[C@](C)(O)c1csc(C(C)(C)F)n1 2367727360 PPIVISWEYBEYMD-INIZCTEOSA-N 301.471 5.306 30 10 DKEE CCOc1ccc(C[C@H](C#N)c2cccc3ccccc23)cc1 57755424 MTIPSCVKVFNISR-GOSISDBHSA-N 301.389 5.088 30 10 DKEE CCCCCCCCSC1(Cc2ccccc2)CCCCC1 100000777 XYHDMWFPPLEWQL-UHFFFAOYSA-N 318.570 7.026 30 10 DKEE CCCCCCCCCNCc1ccc(Br)s1 105839679 FHUPVBLJJFGNFB-UHFFFAOYSA-N 318.324 5.351 30 10 DKEE C[C@H](CC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)(C)C 111650610 MKBIWYQSKJEVMU-ZYHUDNBSSA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@H](C)Nc1c(Cl)ccc2nsnc12 115878586 BZXFZJMFYVKLOE-NSHDSACASA-N 311.882 5.506 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(F)c(Cl)cc1F 158212260 PEPJXLWATMUZBQ-QGZVFWFLSA-N 317.851 6.019 30 10 DKEE CCCCCCC[C@@]1(C)C[C@H](NC)c2cc(Cl)ccc2O1 229189539 WFKSLBRHCBPZGH-WMZOPIPTSA-N 309.881 5.502 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 233164323 ZEBPQLNCNMBICZ-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE CN(C)c1ccc(/C=N\[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 254310358 UJOMJJHNDJDJKO-CQKYCZQVSA-N 322.496 5.231 30 10 DKEE Cc1cc(C2(C#N)CCCCC2)cc(C)c1OCc1ccccc1 260593859 NAPQPUHVBFRGHP-UHFFFAOYSA-N 319.448 5.608 30 10 DKEE CC[C@H]1CCCCC[C@@]1(C#N)Nc1ccccc1Br 691072750 DCIXGQATXGPFTG-BBRMVZONSA-N 321.262 5.114 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695045880 RJQHWRZBNGEROE-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C1(C)CCCCCC1 698403823 AIWNGCJYYYOBRV-HZPDHXFCSA-N 322.493 5.275 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CC1CCCCC1 698419996 RTWABZQZMDAZAK-HNAYVOBHSA-N 322.493 5.275 30 10 DKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@H](C#N)C(C)(C)C 698855683 GPLSMNUJOOQYJM-CQSZACIVSA-N 322.836 5.020 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1F)c1ccc(F)c(C)c1 821225727 OVCNPQHZYXWRIR-HEHNFIMWSA-N 323.770 5.258 30 10 DKEE N#C[C@H](Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 1088696582 VKRSDJDZZOLHMX-NSHDSACASA-N 316.735 5.097 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1cc(Cl)c(Cl)s1)C1CC1 1887463058 DHSICFGGJAPPMK-WCQYABFASA-N 316.297 5.145 30 10 DKEE C=C([C@H](NCCC)c1cccc(Cl)c1Cl)[Si](C)(C)C 1922870468 UDBAHQZCTDSROR-HNNXBMFYSA-N 316.348 5.468 30 10 DKEE C=C([C@H](NCCC)c1cscc1C(F)F)[Si](C)(C)C 1922961856 DTNHGLVDYLKNNP-ZDUSSCGKSA-N 303.494 5.160 30 10 DKEE C=CC1(Cc2ccc(Cl)c(Br)c2F)CCC1 1980011183 WQRAKAAHUVXYPP-UHFFFAOYSA-N 303.602 5.140 30 10 DKEE C=CCCCCCC[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 1995169080 MFXGOCUQCOQQGF-IBGZPJMESA-N 320.477 5.054 30 10 DKEE C=CC1(CC(=O)C2CC3(CC(OCc4ccccc4)C3)C2)CCC1 2002623013 PFWVOLCCOKQXFD-UHFFFAOYSA-N 324.464 5.078 30 10 DKEE CCCCCCCC[C@@H](NC)c1snc(Cl)c1Cl 2048324527 KVHPAOJMCKPRAL-SNVBAGLBSA-N 309.306 5.461 30 10 DKEE C=CCCCCC[C@@H](N)c1c(F)cc(C)cc1Br 2053180120 YYRRTXGCHVROHR-CQSZACIVSA-N 314.242 5.033 30 10 DKEE C[Si](C)(C)C#CCC(=O)c1c(Cl)ccc(Cl)c1Cl 2067278429 LRGBDJYYZZWYHR-UHFFFAOYSA-N 319.691 5.100 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1occc1Br 2086261270 JFYYWAOXEIXQTL-CQSZACIVSA-N 315.251 5.382 30 10 DKEE CCCCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2107827314 UKJXCHCLTOMYEF-ZDUSSCGKSA-N 322.707 6.268 30 10 DKEE C[C@@H]1CCCC[C@]1(C#N)Cc1csc(-c2cccs2)n1 2144694658 LVZLPELQJKQVAR-MLGOLLRUSA-N 302.468 5.134 30 10 DKEE C=CC1(C[C@@H](Cc2ccc(Cl)cc2Cl)NCC)CCC1 2168023736 OEIMXZBLCMFXGD-OAHLLOKOSA-N 312.284 5.260 30 10 DKEE O=C[C@@]1(Cc2c(Cl)cccc2Cl)CCCCC12CCC2 2173676663 PKWPZRCVMZDVDV-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE C#Cc1cccc(N(CC)Cc2ccc(Cl)cc2Cl)c1 2179344386 MXZONLHAMSALRZ-UHFFFAOYSA-N 304.220 5.001 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Cl)c(F)cc1F 2179678864 OLHHMJOMAFTOMS-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CC#CCCCC[C@H](NCC)c1cc(C(F)(F)F)cs1 2196177000 KXQRPLULBGBNGC-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C#CC[C@H](C)C[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2196855093 BRGJSDIKAJIXQO-SWLSCSKDSA-N 303.858 5.118 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)c(C)cc1Cl 2201358709 UQTLJQABXZWCLZ-KRWDZBQOSA-N 316.316 6.313 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cc(F)c(Cl)cc1Cl 2206988301 CFLKDASMOUQVBD-INIZCTEOSA-N 319.247 5.867 30 10 DKEE CCCCCCCC[C@](C)(N)Cc1cc(Cl)ccc1Cl 2240611770 LRDIRNOIUNCSSU-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(Cl)cc(Cl)c1 2284096166 QUNLYBYWTDSCLE-INIZCTEOSA-N 310.268 5.250 30 10 DKEE C=CCCCCCCCCC(=O)c1csc(Cl)c1OC 2284320313 OMPTTWLCLNLPCZ-UHFFFAOYSA-N 314.878 5.900 30 10 DKEE C=CCCCCCCCS[C@@H](c1ccc(C)s1)[C@H](C)N 2287097759 ZKBLKDIPIRVJJS-DOTOQJQBSA-N 311.560 5.705 30 10 DKEE C=CCCCCCCCSC[C@@H](NCC)c1cncs1 2287188933 HUSLRCPYTWRKDB-OAHLLOKOSA-N 312.548 5.054 30 10 DKEE C=CC[C@H](C)S[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 2313694351 DXGDHQAIZSMHFD-UWVGGRQHSA-N 303.254 5.262 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1c(Cl)cccc1Cl)NC 2344348652 MPPRANMEHTWTFB-JKSUJKDBSA-N 300.273 5.116 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H]1C[C@H](C)S[C@H](C)C1 2365720639 NJXSMUGDYNZBHH-MUJYYYPQSA-N 317.608 5.107 30 10 DKEE CCCOC(=O)c1ccc(/N=C/c2ccc(C(C)C)cc2)cc1 59514056 PSEJUCHRJKZRFW-KGENOOAVSA-N 309.409 5.127 30 10 DKEE N#Cc1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 100041555 DVEKRFWBAHGMLG-BUVRLJJBSA-N 306.368 5.615 30 10 DKEE CCCCCCCO[C@@H](CNCCC)c1cccc(Cl)c1 110067849 CXNZHAJGWUTLCC-SFHVURJKSA-N 311.897 5.368 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(Br)cc1F 124709864 NZEZPADWWRQGQL-OAHLLOKOSA-N 316.258 5.339 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc2cccc(Cl)c2o1 130791473 NKNSMNGQJQJXQJ-MRXNPFEDSA-N 307.865 6.097 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1c(F)cccc1Cl 157824663 QDGIWGQTGBTVJP-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(C)cc1Br 159117346 XPGSTPSKGNSQRZ-INIZCTEOSA-N 312.295 5.508 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccc(Cl)c(C)c1 162339829 XPPUEJLHFGBAFT-IBGZPJMESA-N 309.925 6.440 30 10 DKEE CCCCCCCCCCCCCC[C@H]1SC(N)=NC1=O 196145251 YIRNNSRYVBZJSD-OAHLLOKOSA-N 312.523 5.034 30 10 DKEE CCCCCCCCCCNCc1c(Cl)cccc1OC 228746258 WMJDSWCRMVNVAQ-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(Cl)cc1Br 233548683 KZAQMYFGURBLGN-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=CCCCCC[C@@H](NC)c1cccc(OCc2ccccc2)c1 382735211 IQYFYXFRNSHRFW-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE Clc1cccc(Cl)c1N=C1NC2(CCCC2)CCS1 687318918 QMCGGOAAIDMQJT-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](C(C)(C)C)CC1 698971057 XXKAWSZLUKMRBG-KXBFYZLASA-N 322.493 5.132 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1csc(C(F)(F)F)c1 705524315 LPJALQJPUISEDX-LLVKDONJSA-N 316.735 5.097 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1c(Cl)cccc1C(F)(F)F 715722231 QMQYCNWWOUXRDV-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C=C1CCC(C[C@@H](O)c2cc(C)c(Br)c(C)c2)CC1 724556369 NAECZAYQMDBKLB-MRXNPFEDSA-N 323.274 5.236 30 10 DKEE CC[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871421684 SKVPLPSLHKDYLQ-VCRXTVNUSA-N 322.404 5.097 30 10 DKEE CCCCCCCCC[C@](C)(C(=O)O)N(C)Cc1ccccc1 1904141678 VWVXQZVWZWRWKL-HXUWFJFHSA-N 319.489 5.102 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(CC)cc1Br 1948983485 XXSVJFPUUGTFSP-CYBMUJFWSA-N 316.308 5.209 30 10 DKEE C=CCC[C@H](C)Oc1cc(C(F)(F)F)ccc1Br 2040520396 YRQWHOWSFMSANO-VIFPVBQESA-N 323.152 5.201 30 10 DKEE C=CCCCCC[C@](O)(CC)c1ccc(Br)cc1 2075726208 YMUGVZYLSBBKOY-MRXNPFEDSA-N 311.263 5.183 30 10 DKEE CC(C)c1ccc(-n2nc(C(C)(C)C)c(C#N)c2C(F)F)cc1 2079110837 FGIHNAGEOOQFEN-UHFFFAOYSA-N 317.383 5.102 30 10 DKEE N#Cc1sc(-c2cc(C(F)(F)F)ccc2F)cc1Cl 2080388808 WLWWTCGZOLQKJS-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE CCCCCC#CCNc1cc(C)c(Br)c(C)c1 2083412376 XQCZOYHUHHREEC-UHFFFAOYSA-N 308.263 5.062 30 10 DKEE C=CC1(C[C@@H](NCCC)c2c(Cl)cccc2Cl)CCC1 2168027221 BXDRZVHESIDYPN-OAHLLOKOSA-N 312.284 5.781 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OC[C@@H](CS)CC1CC1 2169172946 IECBTMHIEXUCKG-AWEZNQCLSA-N 312.906 5.497 30 10 DKEE CCCCCCCCCCCCN=[S@@](C)(=O)C(C)(C)C 2195925043 ZPMAFKFMWWTAKZ-FQEVSTJZSA-N 303.556 5.804 30 10 DKEE CCCCCC#CC[C@](C)(O)c1cc(F)c(Cl)cc1Cl 2203782045 RBDHOERQQOKQQY-INIZCTEOSA-N 317.231 5.314 30 10 DKEE CCCCCCCN(C)Cc1sc(C)cc1Br 2215985603 XRZHWLSOOLLTQI-UHFFFAOYSA-N 318.324 5.221 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1cc(Cl)ccc1Cl)NCC 2225679179 NLXWOPOUKILQPV-WBMJQRKESA-N 300.273 5.116 30 10 DKEE C=CC1(Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)CCCCC1 2234275540 VVBUBIBEXZQJLH-UHFFFAOYSA-N 315.200 5.202 30 10 DKEE CCCCCCCCOC[C@H](N)c1cc(Cl)cc(Cl)c1 2238008913 GRUBILYZAARQRF-INIZCTEOSA-N 318.288 5.370 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)c(C)c(Cl)c1 2240639990 LPEMVEKHQRDSDU-CYBMUJFWSA-N 316.316 6.853 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc(C)c(Cl)s1 2277229853 RFXCAHIUBXOWGI-CYBMUJFWSA-N 303.899 5.087 30 10 DKEE CCCCCCCC[C@](C)(O)c1cnc(C(C)(F)F)s1 2289323988 SWGUPBXQGLBLEV-AWEZNQCLSA-N 305.434 5.213 30 10 DKEE CSCC1(C[C@]2(C#N)CCCCC2(C)C)CC(F)(F)C1 2289669425 FZNQAFMXJPEDGC-HNNXBMFYSA-N 301.446 5.265 30 10 DKEE CCCCC#CC[C@H](NCC)c1ccc(C(F)(F)F)s1 2295260215 GHZIKSJIQPJBJB-LBPRGKRZSA-N 303.393 5.001 30 10 DKEE Fc1cc(COCCCCCCS)c(Cl)cc1Cl 2325243322 CETVDMZPUVUSJT-UHFFFAOYSA-N 311.249 5.139 30 10 DKEE CCC(=NOCc1cccc2ccccc12)c1ccc(Cl)cc1 2330251994 LYJOAJPUZMRRHD-UHFFFAOYSA-N 323.823 5.824 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1c(Cl)ccc(Cl)c1OC 2344461214 YHKOVWXECRPQSE-LSDHHAIUSA-N 303.229 5.028 30 10 DKEE C=CCC(CC=C)Sc1cc(C)c(CNCC(C)C)s1 2360372239 ROQOREUVRJCKFC-UHFFFAOYSA-N 309.544 5.415 30 10 DKEE C=C([C@H](CCc1cc(Cl)cc(Cl)c1)NCC)C(C)(C)C 2366818796 NSMSMBBFMUIECC-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2370521270 IEQCEUPKCOSMCX-ABAIWWIYSA-N 316.272 5.255 30 10 DKEE CCCCCCCCC/C(=N/O)c1ccc(OCCC)cc1O 100166356 FZMBEQQNEZPYBB-ZZEZOPTASA-N 321.461 5.500 30 10 DKEE CCCCCCCC/C=C\CCCCCCCCC(=O)OCC 100168501 AGINKADZMKGAEZ-QXMHVHEDSA-N 324.549 6.977 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\C(=O)O 100781152 JFQBNOIJWROZGE-MRMWVWCVSA-N 304.474 5.596 30 10 DKEE endogenous,in-man CCCCCCCCCCCC[C@H]1CSC[C@H]1NCCC 134625699 NTSZDGAIYGKISE-RBUKOAKNSA-N 313.595 6.029 30 10 DKEE CCCCCCCCCCCCNC(=O)OCc1ccccc1 137207968 AVDCMKYYRVGQAZ-UHFFFAOYSA-N 319.489 5.834 30 10 DKEE CCCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCC 167064072 AXFIAQFSCYBPFY-INIZCTEOSA-N 316.316 5.875 30 10 DKEE COc1ccc(/C=N/c2ccccc2/N=N/c2ccccc2)cc1 220531106 YSCAQDMOTPCCEH-OLVHUCRGSA-N 315.376 5.861 30 10 DKEE CCCCCCCCCCCCC(=O)c1csc(CN)n1 226569582 KIAPRTFVMQMILG-UHFFFAOYSA-N 310.507 5.096 30 10 DKEE CCCCCCCC[C@@H](O)Cc1sccc1Br 229324768 ZOTOXCJUQSFTEE-GFCCVEGCSA-N 319.308 5.165 30 10 DKEE CCCCCCC[C@H](NC)c1cccc(Br)c1F 232927938 PRRHQVALRPAXJC-AWEZNQCLSA-N 316.258 5.209 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1c(Cl)cccc1Cl 233164083 UWGQZRAHFISADA-MRXNPFEDSA-N 314.300 6.171 30 10 DKEE CC(C)(C)c1ccc(O)c(N=C/C=C\c2ccc([N+](=O)[O-])cc2)c1 252621997 NMCSXHZHGHKSNX-JUGRMXGOSA-N 324.380 5.014 30 10 DKEE Cc1ccc(C=Nc2ccccc2N=Cc2ccc(C)s2)s1 254352141 ZFBFCMIJPAPZAK-UHFFFAOYSA-N 324.474 5.928 30 10 DKEE Cc1cc(/C(=N/OCc2cccc(Cl)c2)C2CC2)ccc1F 821234237 VESVOADFVQPYAQ-DYTRJAOYSA-N 317.791 5.118 30 10 DKEE CC(C)(C)c1ccc(C#Cc2cccc(Cl)c2Cl)cc1 1614826422 RDZGAEWWJSAWHJ-UHFFFAOYSA-N 303.232 5.691 30 10 DKEE CCCOc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1 1874578245 DFDHNCGFECYBEC-CSKARUKUSA-N 300.785 5.025 30 10 DKEE C=CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 1874593130 TWMKOXMQVDGQFZ-JLHYYAGUSA-N 318.416 5.026 30 10 DKEE C[Si](C)(C)C#CCNc1ccc(SC2CCCC2)cc1 1917000742 TVWKKZKOTAASPD-UHFFFAOYSA-N 303.547 5.014 30 10 DKEE CCCCCCC[C@H](O)c1cscc1OCc1ccccc1 1934838371 HPVIBTSOLUZPBV-SFHVURJKSA-N 318.482 5.721 30 10 DKEE CCCCCCCN(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 1981346141 GRTQISXZBFUQCM-WOJBJXKFSA-N 317.517 5.273 30 10 DKEE CCCCC#CCC(=O)c1ccccc1OCc1ccccc1 1994217044 PQSBOURXQRRLKI-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE C=CCCC[C@@H](NC)c1cc(Cl)c(C)c(Br)c1 2002241633 DYXMPFMBLRKCSK-CQSZACIVSA-N 316.670 5.028 30 10 DKEE C=CC1(CNc2c(Cl)cc(F)cc2Br)CCC1 2002638845 KJGPSEAREPAINN-UHFFFAOYSA-N 318.617 5.010 30 10 DKEE CCc1ccc(C#N)c(N(Cc2ccccc2)CC2CCCC2)c1 2015030944 CIEQZKUTCGVPEM-UHFFFAOYSA-N 318.464 5.317 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cscc1Br 2026017666 QVWQKTDYMYLMDK-CQSZACIVSA-N 317.292 5.245 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1ccc(Cl)c(Cl)c1 2108213812 PGCWYCQGJDGGPH-LSDHHAIUSA-N 300.229 5.137 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cccc(SC(F)(F)F)c1 2164220078 IOVRJENAKOZCTF-CYBMUJFWSA-N 323.811 5.482 30 10 DKEE CCCCCCCCN1CCO[C@@H](c2ccc(Cl)s2)C1 2195486856 IEKMDOULAGNFQH-CQSZACIVSA-N 315.910 5.135 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(-c2cccs2)s1 2205871192 IMJMDXOHIQQVPM-CQSZACIVSA-N 307.528 6.227 30 10 DKEE C=CCCCC[C@@H](NCC)c1scc(Br)c1C 2213771951 RTBBATNWXAVYTQ-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CCCCCCC[C@H](NN)c1cc(Cl)cc(Cl)c1Cl 2227338222 XWPJNEYBPWCELV-ZDUSSCGKSA-N 323.695 5.512 30 10 DKEE C=CCCCCCCC[C@]1(O)CCC[C@@H](P(C)(C)=O)C1 2235520257 XMOYLFYIEAWNJM-SJORKVTESA-N 300.423 5.200 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1NCCC 2244499869 AEBLUHYZXRAGKJ-UHFFFAOYSA-N 308.469 5.087 30 10 DKEE CC(C)CCCCCCNc1c(Br)cccc1C#N 2269693871 PVWRBPZQGHYPFZ-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE N#Cc1cc(Cl)ccc1SCC1(C(F)(F)F)CCC1 2274596153 BTBXHLMTSXPXPW-UHFFFAOYSA-N 305.752 5.036 30 10 DKEE C=CCCCCCCCSc1ccc(Cl)cc1C(=N)N 2287063123 NADVHSWPIFBPJE-UHFFFAOYSA-N 310.894 5.243 30 10 DKEE CCCCCCCC[C@](C)(O)[C@H](NC)c1cc(Cl)cs1 2290438331 CBQAETCZWYZRLK-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C[C@H]1CCCCC1=NOCC(=O)c1ccc(-c2ccccc2)cc1 2329917676 RSHGCPRPGZHSKA-INIZCTEOSA-N 321.420 5.119 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2335103991 TZKNLPLNLYQXHL-YMTOWFKASA-N 322.276 5.091 30 10 DKEE C#CCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366806501 UIFDPMSZDBMBNZ-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(F)c(Cl)c(F)c1 2370522717 SHGKZZINWMUITR-CVEARBPZSA-N 301.808 5.261 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1c(Cl)ccc(Cl)c1OC 2370540354 NENAEFOPXYICPT-HZPDHXFCSA-N 316.272 5.255 30 10 DKEE O=C1/C(=C\c2ccc(-c3ccccc3)cc2)CCc2ccccc21 3320783 JVAMMZBJUMLXEZ-PGMHBOJBSA-N 310.396 5.566 30 10 DKEE Cc1ccc(C)c(S[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1 37155829 HFZATPNLDKJTEB-RYRKJORJSA-N 301.499 5.750 30 10 DKEE C#Cc1cccc(N[C@@H](c2ccco2)c2ccc(Cl)s2)c1 37185224 RILCZPMCTREEAR-KRWDZBQOSA-N 313.809 5.177 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2cc(Cl)ccc2Cl)cc1C 61681860 RFSRKDMCEMHQAP-HNNXBMFYSA-N 318.203 5.100 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2ccc(Cl)s2)CC1 91883363 WFCCUGODMBEYJL-WMEQCIOUSA-N 311.878 5.181 30 10 DKEE SCC1(COc2ccc(Cl)cc2Cl)CCCCC1 94582985 AXEVBLZPUKECDP-UHFFFAOYSA-N 305.270 5.253 30 10 DKEE CCCCCCCCCCCCNc1ccc(C)c(Cl)c1 110154066 JTCCOMXAYBEHHS-UHFFFAOYSA-N 309.925 6.981 30 10 DKEE CCCCCCCCCCNc1cccc(Br)n1 124886825 JGGSBKHNKORODN-UHFFFAOYSA-N 313.283 5.397 30 10 DKEE CCCCCCCCCC[S@](=O)c1ccc(N)c(Cl)c1 166412988 NRWCNFIYLLERNE-HXUWFJFHSA-N 315.910 5.171 30 10 DKEE Cc1cccc(N[C@H](C)c2ccc(Cl)c(Cl)c2)c1C#N 235251584 FTGBGQIYXTVYBH-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCC[C@H](C)NCCCCOCc1ccccc1 390565760 PIKKLPSNQCOHAP-IBGZPJMESA-N 305.506 5.322 30 10 DKEE N#Cc1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1Cl 514260835 FNOLIPXWIAJUSJ-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(F)c(Cl)c1F 689642794 GNRGCAIHCCISAK-CQSZACIVSA-N 304.808 5.792 30 10 DKEE CCCCCC[C@H](C)Nc1ccc(Br)c(C#N)c1 690187034 TZMACSHPRCDSPM-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE C=CC[C@@H](C)C(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 715703385 HBEQXUWUJOLWLV-LLVKDONJSA-N 323.820 5.082 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1ccc(OCc2ccccc2)cc1 715725625 ZSMUNLLKLGIWJQ-UTKZUKDTSA-N 309.453 5.128 30 10 DKEE CCCCCCCCCOc1ccc(NC(=O)CCC)cc1 1860136258 GSKQJPYHQWMONP-UHFFFAOYSA-N 305.462 5.555 30 10 DKEE CCCC1CCC(C#N)([C@](C)(O)c2csc(Cl)c2)CC1 1921096337 XARQLPKOQZCQRS-DSSZZKGTSA-N 311.878 5.109 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccc(Cl)cc2)s1)[Si](C)(C)C 1922990422 RTOVAEDDNQUHPB-INIZCTEOSA-N 322.933 5.536 30 10 DKEE Cc1csc(C(=O)C2=CCCCCCC2)c1Br 1950854816 GOXWTQILEIFCBP-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE C=C1CCC(C[C@@H](NC)c2scc(Cl)c2Cl)CC1 2035097862 QAGVKAACWPKUSF-GFCCVEGCSA-N 304.286 5.452 30 10 DKEE CC(=Cc1cccc(Cl)c1Cl)C(=O)c1ccc(F)cc1 2040457609 PEWKGOOVAGSPEW-UHFFFAOYSA-N 309.167 5.419 30 10 DKEE CC[C@H]1CC=C(C(=O)c2ccc(C)c(Br)c2)CC1 2061198066 ZDPJEBPDFHULJM-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE C=C1CC[C@H]2[C@@](C)(CC[C@H]3C[C@]32C)[C@@H]1CCC(C)=CC(=O)O 2069385985 PCLDEDSUWNZZDJ-SQIBXOBRSA-N 302.458 5.206 30 10 DKEE CC1(C)CCCC[C@]1(C)Nc1ccc(C#N)c(Br)c1 2103595991 XGCVLLOKCSDGDJ-INIZCTEOSA-N 321.262 5.092 30 10 DKEE CCN[C@@H](CC#CC1CC1)c1c(Cl)ccc(Cl)c1Cl 2107877456 CQMMJMUSRXGYGW-ZDUSSCGKSA-N 316.659 5.101 30 10 DKEE N#Cc1cc(F)c(Cl)cc1SC1CCC(F)(F)CC1 2127967903 DSQVWEORRUSSFF-UHFFFAOYSA-N 305.752 5.021 30 10 DKEE N#C[C@@]1(Cc2cccc(Cl)c2Cl)CCCC(F)(F)C1 2128424401 QBWRDNJORGVYCQ-CYBMUJFWSA-N 304.167 5.255 30 10 DKEE SC[C@@H](COc1ccc(Cl)c2ccccc12)C1CCC1 2145983472 VQAWBPQJFUUMSX-CYBMUJFWSA-N 306.858 5.218 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(C(F)(F)F)c(Cl)c1 2146762669 JSRYDVVAKXWNDX-CQSZACIVSA-N 308.771 5.753 30 10 DKEE C=C1CCC(CNc2c([N+](=O)[O-])ccc(Cl)c2Cl)CC1 2159705948 UUQNZDUSKNGOEJ-UHFFFAOYSA-N 315.200 5.060 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 2173290826 RSOUIPAUICLGRK-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C=CCCCCCCCCC[C@@]1(N)CCCC2(CC1)OCCO2 2207433372 YWKXENDYALSVSU-LJQANCHMSA-N 323.521 5.088 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cscc1Br 2214604367 XVPQZODBNOQTSC-CQSZACIVSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCCC(=O)c1c(Cl)cncc1Cl 2227290306 ZULPTFMQXNMNTR-UHFFFAOYSA-N 300.229 5.488 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2227316320 NUIZZPITPOUTKZ-HZMBPMFUSA-N 320.691 5.900 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Cl)cc(F)c1Cl 2231189555 SMKFZMZGNOGNMQ-YGRLFVJLSA-N 304.236 5.385 30 10 DKEE CCCCCCCC[C@H](NC)c1csc(Cl)c1OC 2268939697 UQKWSNSXYAAZFW-ZDUSSCGKSA-N 303.899 5.421 30 10 DKEE CC1(C)CCCC[C@@]1(C)Nc1c(Br)cccc1C#N 2269733022 DYLBHKHFNLGQGA-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CC[C@H](Nc1c(Br)cccc1C#N)C1CCCCC1 2269737178 FWRCKEUAGWKJFB-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@H](NCC)c1csc(Cl)c1OC 2284273483 NFDZBSUTFSVMTK-AWEZNQCLSA-N 317.926 5.811 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2287469957 LPVXWOOPBNZULJ-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE C=CCC(CC=C)N(C)[C@@H](C)c1cscc1Br 2301019976 SPGBOCZRETVQSK-NSHDSACASA-N 314.292 5.024 30 10 DKEE C=CC1(CCCc2ccc(OC)cc2Br)CCC1 2317249544 JFKVENQEKMCBEH-UHFFFAOYSA-N 309.247 5.137 30 10 DKEE C[C@H]1C[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)CCS1 2349797520 QPAWIDPWDWCXNG-LKFCYVNXSA-N 318.244 5.100 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1ccc(OC(C)C)c(C)c1C 83193554 KHZLSOVEJZCDBE-VQHVLOKHSA-N 314.450 5.357 30 10 DKEE CC(C)(C#N)CCCNc1cc(C(F)(F)F)ccc1Cl 87596937 RIPSSIPZMUKOGI-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE CCCCCCCN[C@@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 95851518 AMMMRCOMMBKDSH-QFBILLFUSA-N 323.546 5.169 30 10 DKEE CCCCCCCOc1ccc(CNc2ccc(F)cc2)cc1 100025155 FFMAKGMXRZHPRS-UHFFFAOYSA-N 315.432 5.787 30 10 DKEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1 105975368 NGVYETHCGJDQSP-RBUKOAKNSA-N 301.474 5.047 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(Cl)cc(Cl)cc1Cl 109769385 VFCBDHWILPMBAD-LLVKDONJSA-N 322.707 6.808 30 10 DKEE CC(C)c1cc(Br)cc2c(C(C)(C)C)c(C#N)oc12 136481788 PEFZNETUDNSMEQ-UHFFFAOYSA-N 320.230 5.488 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1ccncc1Cl 139499914 KFAKQCGXEQGFMH-GOSISDBHSA-N 310.913 5.916 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccccc1C(F)(F)F 158968539 NEMQWWWJYKAOIW-MRXNPFEDSA-N 301.396 5.717 30 10 DKEE N#Cc1ccc(CSc2ccc3ccccc3c2)c(Cl)c1 163428641 ZWJNLTCRZQILCA-UHFFFAOYSA-N 309.821 5.657 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)cc(C(F)(F)F)c1 169011951 SXOGQHRIDXSYQI-GFCCVEGCSA-N 321.814 6.520 30 10 DKEE C=CCN(CC=C)C(=O)NC1CCCCCCCCCCC1 242857398 GDFQCOVYNDFQBM-UHFFFAOYSA-N 306.494 5.043 30 10 DKEE N#Cc1c(N)c(-c2ccccc2)cc(-c2ccccc2)c1Cl 247648619 LPSJUAHHISVYON-UHFFFAOYSA-N 304.780 5.128 30 10 DKEE CCCCCCCCCCCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250824721 MWUFUOPEYKSIEN-LWYYNNOASA-N 321.549 5.848 30 10 DKEE C=CCSc1ccc(C(=O)CC)c(OCc2ccccc2)c1 261079900 ZLUVCTHJMFUGSD-UHFFFAOYSA-N 312.434 5.136 30 10 DKEE Fc1ccc(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 514260630 AIFIIZNJRGDHIH-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCCCCCCNc1ccc(N(C)C(=O)OC(C)(C)C)cc1 702317529 WCWIDNGSUSQGAC-UHFFFAOYSA-N 320.477 5.440 30 10 DKEE CCOc1ccc2c(c1)S/C(=C\C=Nc1ccccc1)N2CC 1088686894 TYELLANAQHHYNM-VUCFFFMQSA-N 324.449 5.261 30 10 DKEE N#Cc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl 1848372881 MSNSWKJAMULVGT-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ccc(F)c(Cl)c1 1919612712 FJMPGCRHGJCKDR-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccccc2Cl)s1)C(F)(F)F 1919676801 LMCKWRZMSCMHQL-CYBMUJFWSA-N 318.747 5.220 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@@H](C)C(C)(C)O 1980747631 KFBOOQGCSJPDNZ-IBGZPJMESA-N 319.533 5.399 30 10 DKEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(Br)cc1Cl 2002056913 KFSBLXMVIMSKIN-MNOVXSKESA-N 316.670 5.108 30 10 DKEE SC[C@@H](CSc1ccc(Cl)cc1Cl)CC1CC1 2003367616 MPOAUBNJTLPSIE-JTQLQIEISA-N 307.311 5.432 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(Br)ccc1Cl 2009483127 YCRNGKOZKBLJFW-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C=CCCCC[C@@](C)(N)c1ccc(Br)cc1Cl 2009488685 BZULEKLEKJKYRT-CQSZACIVSA-N 316.670 5.023 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccccc1Br 2040530533 RHRSLBZWOXYTSP-CZUORRHYSA-N 310.279 5.092 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1ccc(Br)cc1F 2085282160 AKPOVXBRWYFFRE-OSMZGAPFSA-N 310.210 5.022 30 10 DKEE C=CCC[C@H](C)C[C@H](NCCC)c1cccc(Br)c1 2113417626 KBVWCUQHVZTNKG-YOEHRIQHSA-N 324.306 5.482 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 2164481113 BAAKWXURNCAJFL-JKSUJKDBSA-N 314.256 5.311 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cc(C)c(Cl)s1 2165334453 DPUJSQXRCSHRCQ-CQSZACIVSA-N 316.942 5.745 30 10 DKEE C=CC1(C[C@@H](NCCC)c2c(Cl)cncc2Cl)CCC1 2168028541 NEGGNSIBKUQKFR-CQSZACIVSA-N 313.272 5.176 30 10 DKEE C=CCSc1ccccc1NCc1cccc(F)c1Cl 2176152096 XMZUSJZTHFCPJB-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1ccc(Cl)cc1Cl 2206889890 DIGJEHYTHIZYSW-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1cc(C)c(Cl)s1 2207429114 GBYSJLTYBJEIOZ-HNNXBMFYSA-N 313.938 6.407 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cc(Cl)c(Cl)s1 2227276774 UDFUIBUFVWVPTQ-LBPRGKRZSA-N 321.317 5.476 30 10 DKEE CCCC(CS)(CCC)CSCCCCCCC1CC1 2239320805 NUFYMNPJILASFZ-UHFFFAOYSA-N 316.620 6.597 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)c(O)c(Cl)c1 2240666910 RDTOFICHNONESY-LBPRGKRZSA-N 318.288 6.250 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(Br)c(Cl)c1 2250168289 ZSDBJZFOZRYPMB-CQSZACIVSA-N 316.670 5.239 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2258562562 NOGLQSYCJJQJHO-AWEZNQCLSA-N 306.664 5.485 30 10 DKEE C=CCCCCCCCSCC(=O)c1ccc(Cl)s1 2271509853 ITNDQWLTPYNTCI-UHFFFAOYSA-N 316.919 5.844 30 10 DKEE C=CCCCCCCCSCC1(CS)CCCCC1 2271597193 RNUDPYDMXBIXAI-UHFFFAOYSA-N 300.577 6.127 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2321103414 ZHQSMJJSUCFTID-XPTSAGLGSA-N 306.664 5.510 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1ccc(Cl)cc1 2322528560 NQHCBTQMIHQZFE-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE CC(=NOC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 2330458372 TWFAGXGFTLAXFF-UHFFFAOYSA-N 319.379 5.356 30 10 DKEE CCCCCCC=CCCCCCCCc1cccc(O)c1O 2333108763 GWOCLAPCXDOJRL-UHFFFAOYSA-N 318.501 6.508 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](CC)c1cccc(Br)c1 2337093276 CMIOZMLOAYCGNF-KBRIMQKVSA-N 322.290 5.235 30 10 DKEE COC1(CSC[C@](C)(CS)C(C)(C)C)CCCCC1 2352097179 KAMODLGALWHOQF-HNNXBMFYSA-N 304.565 5.051 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cscc1C(F)(F)F 2370482718 OMXKIWXKBTVCHD-ZIAGYGMSSA-N 305.409 5.410 30 10 DKEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154020 OJCPJZSQNWJVGW-DVOMOZLQSA-N 307.890 5.787 30 10 DKEE C=CCc1cc(C=O)cc(C(C)C)c1OCCCc1ccccc1 66117799 PCXPZFSVUQPSIB-UHFFFAOYSA-N 322.448 5.363 30 10 DKEE CCCC1CCC(C#N)(Cc2ccc(Cl)c(Cl)c2)CC1 87959636 UCLJHQHOFLSNTG-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE Cc1ccsc1[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 88191267 QIKXNBKFJNDSMI-SNVBAGLBSA-N 310.344 5.120 30 10 DKEE CCCCCCCCOCc1nc(Cl)c2ccsc2n1 88336248 YULYCGFRYUMEPD-UHFFFAOYSA-N 312.866 5.222 30 10 DKEE CCCCCCCOc1ccc(NC(=O)C2CCCCC2)cc1 100155317 LBZFAOSAGHSJOL-UHFFFAOYSA-N 317.473 5.555 30 10 DKEE CCCCCCCCCC[C@@H](O)CC[C@H](O)Cc1ccccc1 100293298 WYVJMQCITBRSFF-RTWAWAEBSA-N 320.517 5.262 30 10 DKEE CCCCCCCCCCCn1c(C2CC2)nc2ccccc21 101262875 NGRCUQIDOOIECB-UHFFFAOYSA-N 312.501 6.445 30 10 DKEE CCCCCCCCCNc1ccc(F)cc1Br 110159667 FSAXMOMVYVTKLX-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE CCCCCCCCCCCCSc1sc(N)nc1C 110324182 NHFJVHIRJNIOCJ-UHFFFAOYSA-N 314.564 6.047 30 10 DKEE CCCCCCCCOc1cc(Br)ccc1Cl 112393983 KKBWEONEADGGPQ-UHFFFAOYSA-N 319.670 5.842 30 10 DKEE CCCCCCCCCCCC[C@H](NCCC)C(F)(F)F 162520089 RDMNJTFRFJRERU-INIZCTEOSA-N 309.460 6.228 30 10 DKEE C#C[C@H](Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 383110291 FDCQOYPKHKZMFT-QFIPXVFZSA-N 313.400 5.052 30 10 DKEE C=CCCCCC[C@@H](NCCC)[C@H](C)OCc1ccccc1 404355852 NZUSWSMOLYTCLB-AZUAARDMSA-N 303.490 5.096 30 10 DKEE CCCCCCCCOC[C@@H](N)c1ccc(Cl)c(Cl)c1 709511266 CLCWXTWKIONVHR-MRXNPFEDSA-N 318.288 5.370 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC[C@H]1CC 710717767 IQODSZUIYJLEOU-FRQCXROJSA-N 322.493 5.275 30 10 DKEE CCCCCCC[C@H](C)Nc1cncc(Br)c1C 722734654 HVZPVHAFYPFVJM-LBPRGKRZSA-N 313.283 5.313 30 10 DKEE C=C1CCC(C[C@@H](NC)c2ccc(C)c(Br)c2)CC1 724549129 LHBNVYMRAMADIM-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE Cc1ccc(C)c(C#Cc2ccc(Cl)cc2Br)c1 1614826821 UJOOKGYKCGAKQZ-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CCCCCCCCNC(=O)C[C@@H](c1ccc(C)cc1)C(C)C 1868193897 UIEVEJQMODWCIZ-HXUWFJFHSA-N 317.517 5.601 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cc(F)ccc1C(F)F 1900672997 XTKCUPCGWIKIMF-UHFFFAOYSA-N 319.370 5.342 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CC)CCCC1 1922070644 BAPARMCUUYTCHB-FQEVSTJZSA-N 315.501 5.098 30 10 DKEE CCCCCCCNC1CC2(C1)CC(OCc1ccccc1)C2 1976684081 ZDINRCVCCVXURC-UHFFFAOYSA-N 315.501 5.074 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CC12CCC(F)(F)CC2 1979100796 FXRGHENSQFEAHM-SFHVURJKSA-N 319.439 5.280 30 10 DKEE C=CCCCCC[C@H](N)c1cc(C)cc(Br)c1F 2028920473 VZVQQWWJEAXMPI-AWEZNQCLSA-N 314.242 5.033 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cc(Cl)sc1Cl 2085847195 MYBMUNAMESAGHQ-AWEZNQCLSA-N 306.302 5.755 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1cccc(Cl)c1Cl 2148590783 VSZZLUPMUMPPBR-HOCLYGCPSA-N 318.288 5.105 30 10 DKEE CCCCCCC[C@H](NCCC)c1ncc(C(F)F)s1 2154772174 DAKOBTVIHHJGPP-LBPRGKRZSA-N 304.450 5.482 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](O)c1cscc1F 2181874928 UDWQHTPVZBXXAC-INIZCTEOSA-N 300.439 5.021 30 10 DKEE CC#CCCCC[C@@H](Cc1c(Cl)cccc1Cl)NCC 2196170074 RREWWAGQBDWZFQ-AWEZNQCLSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCCNc1cc(Cl)c(F)c(Cl)c1 2207408231 HTNFMZKKOBZQHD-UHFFFAOYSA-N 318.263 6.461 30 10 DKEE CCCCCCCCNc1ccc(Br)c(F)c1F 2223447188 MRCLLDQBJAWSQP-UHFFFAOYSA-N 320.221 5.500 30 10 DKEE C=C[C@@H](CCCCC)OC[C@H](NCC)c1ccc(Cl)s1 2239491089 XMTOMZAUENVHLD-KBPBESRZSA-N 315.910 5.204 30 10 DKEE C=C[C@H](CCCCC)OCC(=O)c1cc(Cl)ccc1Cl 2239560542 CNWXBWLIGAINHH-CYBMUJFWSA-N 315.240 5.328 30 10 DKEE CCCN[C@H](C#Cc1cccc(Cl)c1)c1sccc1Cl 2239568476 KYWSPTVYOFXBQG-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE CCCCCCCCc1sc(Br)c(N)c1C 2246060464 LOUNNLZCBZZJCZ-UHFFFAOYSA-N 304.297 5.304 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1csc(Cl)c1OC 2268916289 ZQOGXMJFRXIJRG-DGCLKSJQSA-N 301.883 5.053 30 10 DKEE C=CCCCCCCCSC[C@H](NCC)c1ccsc1 2287191754 JLACDRFWLCKGOV-KRWDZBQOSA-N 311.560 5.659 30 10 DKEE CCCCCCC[C@@H](OCCC(=O)O)c1cscc1Cl 2290874430 YQBLTCNNZKLIQD-CQSZACIVSA-N 318.866 5.294 30 10 DKEE COc1ccc(C(=O)C=Cc2ccc(C)cc2)c(Cl)c1Cl 2295967879 GHBLKHCXSKKTIV-UHFFFAOYSA-N 321.203 5.207 30 10 DKEE C=CCC(CC=C)S[C@@H](C)C(=O)c1ccc(Cl)s1 2313705265 RVGYRINEDDJHQY-JTQLQIEISA-N 300.876 5.227 30 10 DKEE C=CCCC[C@H](N)c1c(C)c(C)c(Br)c(C)c1C 2322461107 OTDJDHHKRSUVDW-AWEZNQCLSA-N 310.279 5.039 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(OC)c(Cl)s1 2340336703 HUKCZICWQRBEPC-GFCCVEGCSA-N 303.899 5.421 30 10 DKEE C=CCC[C@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2349875482 HFVIZEVMGNOSIF-GFCCVEGCSA-N 304.236 5.009 30 10 DKEE C=CCC(CC=C)Oc1c(Cl)cc(CNCC)cc1Cl 2364094959 ILGTWKDLONSSPG-UHFFFAOYSA-N 314.256 5.003 30 10 DKEE CC/C(=N/Nc1nc(-c2ccccc2)cs1)c1ccccc1 33770812 JUFYVAZPIGYCLH-SILNSSARSA-N 307.422 5.036 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)c(F)c2)C1 37156534 YSLNHWKECJNPSO-XHBSWPGZSA-N 309.425 5.411 30 10 DKEE Cc1cccc(N/C=C\C(=O)c2ccc(Cl)cc2Cl)c1C 101412604 ZXPXTCUSJSCYNX-HJWRWDBZSA-N 320.219 5.419 30 10 DKEE CCCCCCCCCCSc1cccc(CNCC)c1 117373030 XVEHWJCSUOLIES-UHFFFAOYSA-N 307.547 6.029 30 10 DKEE CCCCCCCC[C@H](N)c1sccc1Br 128359897 YMZQCNDTUAWMCY-LBPRGKRZSA-N 304.297 5.261 30 10 DKEE CCCCCCCC[C@@H](Cc1csc2ccccc12)NC 132649327 ZQWVIEJMMJFPDU-KRWDZBQOSA-N 303.515 5.782 30 10 DKEE N#Cc1cc(F)ccc1Nc1cc(Cl)cc(C(F)(F)F)c1 169158388 WHJDFJBQLYEMAF-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@@H]21 226687435 QEQWRDZHBSZULR-LVCYWYKZSA-N 317.432 5.386 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2 226890764 KQYZNXPEHLLZFP-CLCXKQKWSA-N 309.434 5.139 30 10 DKEE CCCCCCCCNc1ccc(NC(=O)OC(C)(C)C)cc1 227595040 BCSRCLTXMGBBNI-UHFFFAOYSA-N 320.477 5.806 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Br)c(C)s1 227720489 HERYVTCNNQQMNY-ZDUSSCGKSA-N 318.324 5.440 30 10 DKEE CC(C)(C#N)CCCCn1ccc2c(Br)cccc21 232527932 MSXWNPAQIPUBGM-UHFFFAOYSA-N 319.246 5.124 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)/C(=N\N=C1\C[C@H]3CC[C@@]1(C)C3(C)C)C2 253427026 BKQBIDOFONHMJM-SGICPXMQSA-N 300.490 5.476 30 10 DKEE CCCCCCCn1c(CCS)nc2cc(CC)ccc21 1857801834 IVYBVRNVDMEXMA-UHFFFAOYSA-N 304.503 5.041 30 10 DKEE C=C1CCC(C[C@](O)(CC)c2cccc(Br)c2)CC1 1886406103 WOVNAJPCVNHJQN-QGZVFWFLSA-N 323.274 5.183 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(C(C)=O)c(C)c1C 1901954536 QEGPRGAZCPMLGP-UHFFFAOYSA-N 307.437 5.089 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)c1ccc(F)c(Cl)c1 1917906618 BKZSNRCBUQEUKC-HXUWFJFHSA-N 319.873 5.635 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)cc(F)c1F)[Si](C)(C)C 1922870919 WKOZCULMWXYEIZ-HNNXBMFYSA-N 317.883 5.093 30 10 DKEE CCCCCCC[C@H](O)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 1988153479 VDVNNVUMTCXSOB-UXHICEINSA-N 317.517 5.009 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@H](C)C(C)C 1990793329 GBEZZLLRGKHLAK-OAQYLSRUSA-N 317.561 6.674 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2sccc2Br)C1 2002993454 KXWPNHOBZLFSDC-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE FC(F)c1c(OC(F)(F)F)ccc(C(F)(F)F)c1Cl 2054961341 SAPMTHNTKQHKLW-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCCCC[C@H](NCC)c1c(C)cccc1Br 2059115471 SCFIRNQJLJQFCL-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2081458451 XOINCPDMKISKAX-OTYXRUKQSA-N 306.664 5.510 30 10 DKEE C=CC1(C[C@H](N)c2ccc(SC(F)(F)F)cc2)CCC1 2168028429 MILMPQMKTIIFJW-ZDUSSCGKSA-N 301.377 5.045 30 10 DKEE C#Cc1ccc(N[C@H](CC)c2ccc(Cl)cc2Cl)cc1 2177231638 GYPFTZFAKQVLMO-QGZVFWFLSA-N 304.220 5.538 30 10 DKEE CCCCCC#CC[C@@H](NCCC)c1ccc(SC)s1 2203793413 UYFDWIWCRKTKNM-OAHLLOKOSA-N 309.544 5.485 30 10 DKEE CCCC#CC[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2203831374 CNLHJLLYXXLSMF-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE C=C([C@H](NCC)c1ccc(-c2cccs2)s1)C(C)(C)C 2205874424 ZPQNEAZUENOCET-INIZCTEOSA-N 305.512 5.730 30 10 DKEE CC(C)(C)C#CC(=O)c1ccc(-c2ccccc2Cl)s1 2233870980 NDCHVVGLDNZBEO-UHFFFAOYSA-N 302.826 5.301 30 10 DKEE C=CCCCCCCC[C@](C)(O)c1ccc(Cl)c(Cl)c1 2235537804 FDWJZGUKUGSGFM-KRWDZBQOSA-N 315.284 6.118 30 10 DKEE C=C(C)CCCCNc1ccc(OCc2ccccc2)cc1C 2244638217 UMWCLBRLPLAWSZ-UHFFFAOYSA-N 309.453 5.732 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 2244639682 UANJOEZBUZOKTP-UHFFFAOYSA-N 317.429 5.353 30 10 DKEE C=C(C)CCCCCc1cc(Cl)cc(Br)c1 2244652298 HIHPOIWUWQIIMI-UHFFFAOYSA-N 301.655 5.782 30 10 DKEE CCCCCCCCCNc1cc(Br)cnc1C 2254073379 IBGPDAPATCOFHE-UHFFFAOYSA-N 313.283 5.315 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1c(Cl)cccc1Cl 2289787663 RVLCNKLHLNPGRW-MRXNPFEDSA-N 310.268 5.228 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1cc(Cl)cs1 2290371289 YHZQBTMPNFQWDB-HNNXBMFYSA-N 316.942 5.827 30 10 DKEE CCCCCCCCOCc1cnc(C)cc1Br 2316014012 OCWFWNWOMFTZFT-UHFFFAOYSA-N 314.267 5.030 30 10 DKEE CCCCOc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2324260421 AITZMLQPUXDPKS-UHFFFAOYSA-N 322.404 5.099 30 10 DKEE CCC(=NOCc1ccccc1Cl)c1ccc(C)cc1C 2330259109 JHTMIOINHPMSHH-UHFFFAOYSA-N 301.817 5.288 30 10 DKEE C=C([C@@H](NCC)c1c(Cl)cc(C)cc1Cl)[Si](C)(C)C 2353053721 CORIRFNGJJCUQK-OAHLLOKOSA-N 316.348 5.386 30 10 DKEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2ccc(F)c(Cl)c21 2362301642 APGYKECSOTYAJQ-BXKDBHETSA-N 310.825 5.035 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1sc(Cl)cc1OC 2370526783 XTAKDWQUGIGATA-HOTGVXAUSA-N 315.910 5.443 30 10 DKEE C=C1[C@H](O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/c1ccoc1 15167717 RHCBUXSXDFNUAG-HSSQDTPWSA-N 300.442 5.062 30 10 DKEE biogenic Cc1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)s1 20407482 IXPPMRBNJOKKQP-OMCISZLKSA-N 319.644 5.463 30 10 DKEE CCCCCCCCn1c([C@@H]2CCCO2)nc2ccccc21 102192935 SXATYIPZINWZLP-SFHVURJKSA-N 300.446 5.248 30 10 DKEE CCCCCCCCCOc1ccc(Br)cc1C 110307297 WSOXEDSPUCQKHV-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE C[C@@H](CC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)(C)C 111650602 MKBIWYQSKJEVMU-JQWIXIFHSA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@@]1(C)CCNC[C@H]1c1ccccc1Cl 118868803 IHCIXKPZPOIWNR-HKUYNNGSSA-N 307.909 5.784 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1SCCS[C@H]1CC 157952169 NGJBSGUQUVNBCN-ULQDDVLXSA-N 317.608 5.342 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(Cl)cc2Cl)C1 218321812 VNMIBUGUAUQEGN-RLCCDNCMSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCCN[C@H](C)c1csc(Cl)c1 232914747 LZAFGVNBHNIKHA-CQSZACIVSA-N 301.927 6.193 30 10 DKEE CCCCCCC[C@@H]1C(=O)Nc2c(Cl)cc(Cl)cc21 232928363 SUIMPZIYZYNPED-NSHDSACASA-N 300.229 5.390 30 10 DKEE C=CCCCCC[C@H](Cc1ccccc1Br)NCC 233603218 UZOGZYOKJKEWJK-MRXNPFEDSA-N 324.306 5.106 30 10 DKEE Cc1ccc(C#N)c(Nc2cccc(Cl)c2Br)c1 235847584 ZULHOIKTZYLONU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCNc1nnc(SCc2ccccc2)s1 257628029 CMSRGKZLPYTZLI-UHFFFAOYSA-N 321.515 5.213 30 10 DKEE Cc1c(Cl)cc(Nc2cc(Cl)ccc2C#N)cc1Cl 690246806 HQKJMZACHKPFTQ-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C[C@H](CC1CCCCC1)Nc1cc(Br)cc(C#N)c1 709864543 GWBOKCPXJIOWRO-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CC(C)(C)c1ccc(CON=C2CCC(C(C)(C)C)CC2)cc1 1860464278 TWHGBKWPCNHNBI-UHFFFAOYSA-N 315.501 6.093 30 10 DKEE CCCCCCCCC(=O)Nc1cc(C(C)=O)ccc1Cl 1866090266 VHXPPGDWBDGXLI-UHFFFAOYSA-N 309.837 5.232 30 10 DKEE C=CCOc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)cc1 1874579267 FTHDXBWLXKGUNT-CSKARUKUSA-N 312.796 5.109 30 10 DKEE CCCCCCC[C@]1(O)C[C@H](C(C)C)N(Cc2ccccc2)C1 1919646267 DIECJMRHGKEPIB-RTWAWAEBSA-N 317.517 5.009 30 10 DKEE CCCC[C@](C)(C=O)Cc1cccc(Br)c1Cl 2001880982 OBIXMAZSACYBIJ-AWEZNQCLSA-N 317.654 5.040 30 10 DKEE CCCCC#CC[C@](C)(N)c1ccc(OCc2ccccc2)cc1 2024374595 ZXLUYJSXPSJDCX-QFIPXVFZSA-N 321.464 5.023 30 10 DKEE CCCCCCCC[C@H](NC)c1snc(Cl)c1Cl 2048324526 KVHPAOJMCKPRAL-JTQLQIEISA-N 309.306 5.461 30 10 DKEE C=CCCCCCCCCOc1ccccc1Br 2086279853 YDUDREVVWDFHMY-UHFFFAOYSA-N 311.263 5.745 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2scc(Cl)c2Cl)CC1 2096221567 NQZAMTSETIVJDO-CYBMUJFWSA-N 318.313 5.842 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C=O)CCCC(C)(C)C1 2112218237 SSUCBMDWKBINNW-SUMWQHHRSA-N 323.274 5.338 30 10 DKEE C=CC1(CNc2nc(Cl)c(Cl)cc2Cl)CCCCC1 2133071685 FNACBJSHVJRPAK-UHFFFAOYSA-N 319.663 5.590 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(Cl)cc1Cl 2136612340 YWHQMMCRJJFGSQ-UHFFFAOYSA-N 321.675 6.580 30 10 DKEE CCCCCCCCCCCCNCc1sccc1Cl 2146178501 IYGDMBCUKZCJMW-UHFFFAOYSA-N 315.954 6.412 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1 2146758571 AURTUNZXLVIWLM-CQSZACIVSA-N 305.771 5.495 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc(Cl)sc1C 2154493201 OLMMOBFRZGTXES-INIZCTEOSA-N 315.954 6.501 30 10 DKEE CCC#CC[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2174095657 MKKLMMMDEQBZBP-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1OC 2204248942 SVKNZOOPTNCHPY-AWEZNQCLSA-N 318.288 5.623 30 10 DKEE CCCCCCCCCOCc1coc(Br)c1 2216955037 OXHDCUYFNDVZAK-UHFFFAOYSA-N 303.240 5.309 30 10 DKEE C=CCCCCCCCN(C)Cc1cc(C(F)F)cs1 2235528993 PWTKZILGFQZOMJ-UHFFFAOYSA-N 301.446 5.644 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2269338615 CNKBRKWRUWGJOG-INIZCTEOSA-N 300.273 5.699 30 10 DKEE C=CCCCCCCCSc1ncnc(Cl)c1C(C)C 2287068065 JOBWOGQWMWHDID-UHFFFAOYSA-N 312.910 5.872 30 10 DKEE CCCCCCCCCCNc1cc(C)c(Cl)cc1Cl 2294711403 SEXFQWWRLZRNBE-UHFFFAOYSA-N 316.316 6.854 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1csc(C)c1Br 2303639791 SPZRAHSNROEQRG-HZMBPMFUSA-N 316.308 5.072 30 10 DKEE CC1(C)CC(CS)(COc2c(Cl)cccc2Cl)C1 2321741844 SAXPXLBKSSFIAK-UHFFFAOYSA-N 305.270 5.108 30 10 DKEE Cc1ccccc1CON=C(c1ccc2c(c1)CCCC2)C1CC1 2330306400 DLQWJQMQCKEPKW-UHFFFAOYSA-N 319.448 5.205 30 10 DKEE CC(C)(C)c1ccc(C(=NOCc2ccccc2)C2CC2)cc1 2330322972 HBVYFGXHQJHGED-UHFFFAOYSA-N 307.437 5.315 30 10 DKEE CCCCCC#CCC(=O)c1cc(F)c(Cl)cc1Cl 2349924024 VYOHPZSDKAKOAY-UHFFFAOYSA-N 301.188 5.289 30 10 DKEE O=C1/C(=C\c2ccccc2Cl)CCc2c1[nH]c1ccccc21 35146497 DALXSXCSROZEHO-QBFSEMIESA-N 307.780 5.034 30 10 DKEE CCCCCCCCNc1cccc(OC[C@H]2CCCO2)c1 100039600 JQZXUYAAAIPQNE-LJQANCHMSA-N 305.462 5.017 30 10 DKEE CCCCCCCCO[C@@H](c1ccc(Cl)s1)[C@H](C)N 109988683 YGISDMBMXBYXOE-SWLSCSKDSA-N 303.899 5.167 30 10 DKEE CC[C@H](C)Oc1cccc(Nc2cc(Cl)ccc2C#N)c1 110258119 FOXWKTUTKYWAIW-LBPRGKRZSA-N 300.789 5.133 30 10 DKEE CCCCCCCCCCC[C@H](O)c1sccc1Cl 126887969 REMCSKVFXVHYDM-HNNXBMFYSA-N 302.911 6.356 30 10 DKEE N#Cc1cc(N[C@@H]2CCCc3sc(Cl)cc32)ccc1Cl 127665445 GWUKAXHVBXVYBU-CYBMUJFWSA-N 323.248 5.416 30 10 DKEE Cc1cc(Cl)c(NC[C@@H](C#N)c2ccccc2)cc1Cl 128196520 GGERGEVXKODKBR-CYBMUJFWSA-N 305.208 5.021 30 10 DKEE CCCCCCCCCC[C@H](O)[C@H]1SCCS[C@H]1C 135714366 OMIDKVQJJDTTPL-JYJNAYRXSA-N 304.565 5.115 30 10 DKEE C=CCSc1ccccc1N[C@H](C)Cc1cccc(F)c1 157251611 SQQCLSFNXIYNRR-CQSZACIVSA-N 301.430 5.147 30 10 DKEE C[C@H](F)C#Cc1ccc(C#Cc2cc3ccccc3s2)s1 221658637 AHDZDYPVZGNKNS-ZDUSSCGKSA-N 310.418 5.072 30 10 DKEE N#Cc1ccc(OCc2cccc(Cl)c2Cl)c(Cl)c1 228814387 NVLGHDOWPAQWHF-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(F)c(F)cc1Cl 231298625 CWZKMOPLGIUHFH-MRXNPFEDSA-N 303.824 5.629 30 10 DKEE CCCCCCCC(=O)CC(=O)c1cc(Cl)sc1Cl 232920550 BBHNRGVPCIZWQM-UHFFFAOYSA-N 321.269 5.557 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 686692868 HYMSPMAWCZHGGJ-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)C1(C)CCCC1 698468863 NGZCQZKKQUGEGM-INIZCTEOSA-N 320.477 5.029 30 10 DKEE C=C1CCC(C[C@H](N)c2cccc(OCc3ccccc3)c2)CC1 724601852 GPFXZCBJUBLVBW-QFIPXVFZSA-N 321.464 5.402 30 10 DKEE CC(C)c1cc(NC(=O)c2ccccc2CC#N)cc(C(C)C)c1 1866214981 ULTLECFDVYRKAS-UHFFFAOYSA-N 320.436 5.252 30 10 DKEE CCCCCCCCNC(=O)C[C@@H](C)c1cccc(Cl)c1 1868191500 AJKUWEOTTUKMNE-OAHLLOKOSA-N 309.881 5.310 30 10 DKEE C=CCC(CC=C)[C@H](O)c1cccc(OCc2ccccc2)c1 1900978865 SNIZHMZUAXVMBY-NRFANRHFSA-N 308.421 5.067 30 10 DKEE CCC[C@@H](C#N)[C@H](O)c1ccc(-c2ccccc2Cl)s1 1921046093 QVTKYUYUISJNRR-ZBEGNZNMSA-N 305.830 5.042 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCCCCCCC)NCC 1922081387 XBCASJLNIRIGNV-NRFANRHFSA-N 317.517 5.488 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)c1ccc(Cl)cc1C#N 1932044800 GVRFGXJAXCQUKI-UHFFFAOYSA-N 312.844 5.264 30 10 DKEE CCCCCCC[C@@H](O)c1cscc1OCc1ccccc1 1934838370 HPVIBTSOLUZPBV-GOSISDBHSA-N 318.482 5.721 30 10 DKEE N#Cc1cc(F)cc(CN(Cc2ccccc2)C2CCCCC2)c1 1946852717 WJZBVQWQLGEYBH-UHFFFAOYSA-N 322.427 5.032 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)C(C)(C)C 1975570883 MDGHEVWGQHQKSV-LJQANCHMSA-N 322.493 5.275 30 10 DKEE CCCCCCC[C@H](O)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 1988153478 VDVNNVUMTCXSOB-PMACEKPBSA-N 317.517 5.009 30 10 DKEE SC[C@@H](CSc1cc(Cl)ccc1Cl)CC1CC1 2003368806 XGZRVWXETKVHSX-JTQLQIEISA-N 307.311 5.432 30 10 DKEE C=C1CC(C[C@@H](NCC)c2ccccc2OCc2ccccc2)C1 2011092201 UWGLZGFLNXCYFR-OAQYLSRUSA-N 321.464 5.273 30 10 DKEE C=C(F)C[C@H](NCCC)c1cc(Cl)cc(Br)c1 2011353089 CFGXCJLWYHDZCG-ZDUSSCGKSA-N 320.633 5.017 30 10 DKEE CCCCCC#CC[C@@H](N)c1ccc(OCc2ccccc2)cc1 2024370938 RICRINDUXKSFHQ-JOCHJYFZSA-N 321.464 5.239 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(C)c(Br)c1C 2045806401 PNDNGDRTORDYMB-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE C=CCCCCCC(=O)c1c(F)cc(C)cc1Br 2053184935 ZHJAZEWLJVOJBO-UHFFFAOYSA-N 313.210 5.216 30 10 DKEE CCc1cc(C(F)F)c(OC(F)(F)F)cc1C(F)(F)F 2060359624 PUSQDJWVOFGFNK-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CCCCCCCOc1cc(C)cc(Br)c1C 2085850757 YYTCBBUSZKLJRK-UHFFFAOYSA-N 311.263 5.581 30 10 DKEE C[C@H]1CCCC[C@]1(C#N)Cc1csc(-c2cccs2)n1 2144694656 LVZLPELQJKQVAR-BLLLJJGKSA-N 302.468 5.134 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(F)cc(C(F)(F)F)c1 2164264132 OPQUUEOSNWEBJO-CYBMUJFWSA-N 309.734 5.028 30 10 DKEE CC#CCCCC[C@H](NCCC)c1ncc(Cl)cc1Cl 2196170050 RNADDKZNROHQNH-HNNXBMFYSA-N 313.272 5.013 30 10 DKEE C=CCCCCCCCCC[C@@H](NN)c1cscc1Cl 2207433738 ACDZZKODNDFQQZ-MRXNPFEDSA-N 314.926 5.603 30 10 DKEE CCCCCCC[C@@H](N)c1c(C)sc(Br)c1C 2213609255 NDKAPEKTYPVUJD-GFCCVEGCSA-N 318.324 5.488 30 10 DKEE C=CCCCCNCc1c(Br)sc2ccccc12 2217904941 IQFRDNHEOYIKSK-UHFFFAOYSA-N 324.287 5.110 30 10 DKEE CNc1cccc(C#Cc2cc(Cl)cc(Cl)c2Cl)c1 2227320534 XYRQSINGIZTITK-UHFFFAOYSA-N 310.611 5.088 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(Cl)cc(Cl)c1 2238011852 GMFZQIHGPZKFRZ-XNJGSVPQSA-N 312.284 5.779 30 10 DKEE C=C(C)CN(CCCCCCCCCCN)Cc1ccccc1 2243883049 BJKAPAORCFHJLO-UHFFFAOYSA-N 316.533 5.144 30 10 DKEE CCCCCCCCCC(=O)c1cocc1Br 2249417161 BKFLRTBUTRHFEK-UHFFFAOYSA-N 301.224 5.366 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCC2(C(F)(F)F)CCC2)C1 2290348357 RDWUMPCBDGNCKT-UPJWGTAASA-N 305.409 5.171 30 10 DKEE C=CCCCCCCC[C@@H](OCCN)c1ccsc1Cl 2293777551 YZKJKYJGHDDTHD-OAHLLOKOSA-N 315.910 5.335 30 10 DKEE O=C(C=Cc1sccc1Oc1ccccc1)c1cccs1 2295149786 SVOPFTFJXVYQCT-UHFFFAOYSA-N 312.415 5.498 30 10 DKEE CCCCCC=CC=C1C=CC(=O)[C@H]1CCCCCCC(=O)O 2297721731 LDOCIRJMPUHXRM-SFHVURJKSA-N 318.457 5.230 30 10 DKEE Cc1c(COC[C@@H](CS)CC(C)C)ccc(Cl)c1Cl 2353833906 JDXVMXCMEQGFMV-LBPRGKRZSA-N 321.313 5.411 30 10 DKEE CCCCCCCC[C@H](NN)c1c(Cl)cc(F)cc1Cl 2360399344 DKXUQDXFJJFENH-AWEZNQCLSA-N 321.267 5.388 30 10 DKEE Cc1ccc(F)c([C@H](C#N)Nc2ccccc2Cl)c1Cl 2360544870 FAOCGAZOMKBERB-ZDUSSCGKSA-N 309.171 5.118 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1cccc(C)c1)[C@@H]1CC=C[C@@H]21 20716736 XLEMSSFYSAUHKR-DBXWQHBBSA-N 317.432 5.386 30 10 DKEE CC(C)(C)c1ccc(-c2nc3ccc(Cl)cn3c2CC#N)cc1 33506984 LCPUMJKDGKPSQG-UHFFFAOYSA-N 323.827 5.018 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(C(=O)OC)ccc1Cl 59451555 VPYRHYSXRSBYCQ-CYBMUJFWSA-N 311.853 5.288 30 10 DKEE CCCCCC[C@@H](C)Oc1ccc(Br)cc1C#N 82110799 IADAGJVLAYTUJP-GFCCVEGCSA-N 310.235 5.058 30 10 DKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(Cl)cc2)cc1Cl 83194204 HGZBPUMXCSWIFY-VMPITWQZSA-N 305.204 5.506 30 10 DKEE CCC1(CC)CC(C#N)(Sc2ccccc2Br)C1 90246250 WRASUGSDFJRFEM-UHFFFAOYSA-N 324.287 5.404 30 10 DKEE CCC1CCC(C#N)(Cc2cc(F)cc(Br)c2)CC1 94004400 CEBKPRLJSQUNQO-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CCCCCCCCOc1ccc2ccccc2c1CNCC 100047024 BZUFCKVIYDNZTO-UHFFFAOYSA-N 313.485 5.689 30 10 DKEE CCCCCCCCCn1c(CC(C)(C)C)nc2ccccc21 101263528 UPFPPRNDRRDBDY-UHFFFAOYSA-N 314.517 6.376 30 10 DKEE CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C(C)=O 102096594 VWKJKBFZSVVPNV-NBVRZTHBSA-N 321.445 5.012 30 10 DKEE CCCCCCC[C@@](C)(C#N)Nc1cccc(Br)c1 110028807 DUVXMPUAXFPAAM-INIZCTEOSA-N 323.278 5.504 30 10 DKEE CCCCCCC[C@H](N)c1sc(C)cc1Br 114542058 LJIRQDHREQRRFV-LBPRGKRZSA-N 304.297 5.179 30 10 DKEE CCCCCCCCCCNC[C@@H]1CSc2ccccc21 129335502 UKTSYJKYCBCVAV-QGZVFWFLSA-N 305.531 5.606 30 10 DKEE C=C(CNc1ccc(Br)cc1CC)c1ccccc1 134369723 MXHXWOQDKWVIDT-UHFFFAOYSA-N 316.242 5.137 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc2sccc2s1 158950545 TZRADVRCGWNQHD-OAHLLOKOSA-N 323.571 6.754 30 10 DKEE Cc1ccc(Sc2ccc(C#N)c(Br)c2)c(C)c1 228252997 IMKBPKRQLJPQIQ-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE Cc1ccc(Cl)c(Nc2cccc(Br)c2C#N)c1 232244907 CQXXLIVZPFVMQE-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cccc(N=C2c3ccccc3-c3nc4ccccc4cc32)c1 254735011 RIWIROAVIOSGAU-UHFFFAOYSA-N 320.395 5.693 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1c(F)cccc1Cl 313716949 VLVXPJMYKXNGLT-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCCCn1ccc(Br)n1 379037342 AKROIZZNYNGRQQ-UHFFFAOYSA-N 315.299 5.567 30 10 DKEE N#C[C@@H](CSc1ccccc1Br)C1CCCCC1 397312231 OITITAMCGJYANX-ZDUSSCGKSA-N 324.287 5.261 30 10 DKEE C[C@@H](CC1CCCCC1)Nc1ccc(Br)c(C#N)c1 690201459 QTPPEPCEWPKQPT-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CC[C@@](C#N)(C1CCC1)N(C(=O)OC(C)(C)C)C1CCCCC1 698455485 CLLSNGOEVWVVFZ-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=C(Cl)C[C@H](Cc1ccc(Cl)cc1Cl)NCCC 710592967 VADDUUDWXXLAHL-CYBMUJFWSA-N 306.664 5.047 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccc(Cl)cc2Cl)cc1 725415217 DCILAXGJWTVQSO-UHFFFAOYSA-N 303.232 5.691 30 10 DKEE C=C(COCc1ccccc1)[C@H](NC)c1cccc(C(C)(C)C)c1 1922087149 WNEUEWZDRCRDLS-NRFANRHFSA-N 323.480 5.018 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)sc1Cl)[Si](C)(C)C 1922869647 PLPAZEXWBTYANK-GFCCVEGCSA-N 322.377 5.529 30 10 DKEE CCCCCCCCN(C)Cc1ccsc1Br 2019951932 MKNMSYWCWXEXAW-UHFFFAOYSA-N 318.324 5.303 30 10 DKEE CCCCCC#CCNc1cccc(Cl)c1Br 2024348285 ABHOULNRDISWSQ-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE C#Cc1ccc(F)c(-c2cccc(OCc3ccccc3)c2)c1 2049392661 MTXRSNHTGMZGFE-UHFFFAOYSA-N 302.348 5.053 30 10 DKEE C=CCCCCCCNc1cc(C)c(Br)cc1C 2085846356 FQQAJTKYXGGLNX-UHFFFAOYSA-N 310.279 5.614 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2cccc(Br)c2C)C1 2087379700 DLSQXVBETBHIMW-PBHICJAKSA-N 323.274 5.086 30 10 DKEE C=CCCCCCCCCNc1ccc(Br)cc1C 2142445007 ALAUEMXPIRGEFE-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE CCCCCCC[C@H](O)[C@H](NCCC)c1cscc1Cl 2148347390 ULKCWRUVHWVUCI-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE C=C([C@H](NCCC)c1ccsc1C(F)(F)F)[Si](C)(C)C 2157627066 NQNCAWPUBAXUMB-LBPRGKRZSA-N 321.484 5.241 30 10 DKEE CC(C)(C)N(CCCCCCCCCS)CC(F)(F)F 2170210875 JGFNHVFWQYXGCE-UHFFFAOYSA-N 313.473 5.310 30 10 DKEE C=CCCCCCCCC[S@@](=N)(=O)c1ccc(Cl)cc1 2207374345 BCTMWNWNSYUEPF-HXUWFJFHSA-N 313.894 5.662 30 10 DKEE C=CCCCCCCC[C@H](NC)c1coc(Br)c1 2220082368 CGRAGAMATRGRFF-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=C[C@@H](CCCCC)OCc1cc(Br)ccc1C 2223288849 NMIILKKCKUXQAE-INIZCTEOSA-N 311.263 5.409 30 10 DKEE C=CCCCCCCCC(=O)Cc1cccc(Br)c1 2227281071 QBIAVCJESPXGBT-UHFFFAOYSA-N 323.274 5.477 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cc(Cl)ccc1Cl 2235535073 LVDWDOJKFRZYHI-INIZCTEOSA-N 315.288 5.415 30 10 DKEE C=CCCCCCCCSc1ccc(Cl)c(C(=O)O)c1 2235542983 YDNPYNZKVFKGRS-UHFFFAOYSA-N 312.862 5.657 30 10 DKEE N#Cc1cc(F)c(SCC2CC(C(F)(F)F)C2)cc1Cl 2287313107 JEXXCOGEDUTIDG-UHFFFAOYSA-N 323.742 5.031 30 10 DKEE CCCCCCCC[C@H](OCCN)c1ccc(SC)s1 2294567483 HDWNMFXFMSZREL-AWEZNQCLSA-N 315.548 5.237 30 10 DKEE C=CCCCCC[C@H](NCC)c1nc(C(C)(F)F)cs1 2296194780 JNEUASDVKSZHAO-LBPRGKRZSA-N 302.434 5.042 30 10 DKEE C=CCCCCCCCn1cc(C(C)C)nc1Br 2321476275 SXWKZBXDBIIHPN-UHFFFAOYSA-N 313.283 5.296 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2325243155 BRQJGNZBQIYLNU-CYBMUJFWSA-N 310.627 5.316 30 10 DKEE CCC(=NOCCCc1ccccc1)c1ccc(C(C)(C)C)cc1 2330263360 KJGWDGYCUNIWCT-UHFFFAOYSA-N 323.480 5.748 30 10 DKEE CCC1(CC)CSC(=Nc2cc(C3CC3)ccc2Cl)N1 2363453272 XLDYCIBVVMDUBO-UHFFFAOYSA-N 308.878 5.100 30 10 DKEE N#Cc1cccc(CSc2nc3cc(Cl)ccc3s2)c1 5780459 SWVQMGLMRVNTPH-UHFFFAOYSA-N 316.838 5.114 30 10 DKEE C=CCc1ccccc1Oc1ccc(CNc2ccccn2)cc1 19778563 DOPCRLGXZULCFD-UHFFFAOYSA-N 316.404 5.215 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccccc1OC(F)(F)F 59089823 FYJRKLDDGFGBEQ-CYBMUJFWSA-N 303.368 5.746 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426783 JIAUDNAHEVBEBI-GZBFAFLISA-N 322.905 5.572 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1c(Cl)cc(Cl)cc1Cl 103998997 QYSQUCVPUYYKHN-RNCFNFMXSA-N 317.647 5.531 30 10 DKEE CCCCCCCCCCCCN/C=C\C(=O)C(F)(F)F 105929793 IAUTXWLOHVNBPF-OWBHPGMISA-N 307.400 5.142 30 10 DKEE COc1ccccc1S[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 217535075 QUSKROJXGAELCL-CPUCHLNUSA-N 303.471 5.142 30 10 DKEE CCCCCCCCOC(=O)c1cc(Cl)nc(C(C)C)c1 228483153 ALFDAVLFXRXCJQ-UHFFFAOYSA-N 311.853 5.376 30 10 DKEE CCCCCCCCCNc1cc(C)cc(Br)c1 232068177 SRIISHDLPCAUHQ-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE CCCCCCCC[C@H](NC)C(C(F)(F)F)C(F)(F)F 232954652 GPHKQRHLFKUGHP-JTQLQIEISA-N 307.322 5.066 30 10 DKEE CC[C@@H]1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1 245312304 TVRQQLBTOYAMMD-SWGFEDQBSA-N 314.475 5.666 30 10 DKEE aggregator C=CCCCCCCN[C@H](C)c1c(Cl)cccc1Cl 401023401 SSAKLVFJDMOZAE-CYBMUJFWSA-N 300.273 5.781 30 10 DKEE CN(Cc1cc2cscc2s1)c1ccc(C#N)c(Cl)c1 703236182 GTSIZTICCZCRHH-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE CCCCCCCCC[C@H](N)CCCOCc1ccccc1 719131261 XXXBMNPNAWEGNS-FQEVSTJZSA-N 305.506 5.451 30 10 DKEE CC/C(=N\OCc1ccccc1Cl)c1ccc(C)cc1C 821219237 JHTMIOINHPMSHH-CZIZESTLSA-N 301.817 5.288 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1Cl 1874625313 XBRYFLGVHSLZFO-YCRREMRBSA-N 318.775 5.164 30 10 DKEE CC(C)=C(CSC1CC2(CCC2)C1)B1OC(C)(C)C(C)(C)O1 1901703964 QPWOPXNLJMMSPV-UHFFFAOYSA-N 322.323 5.020 30 10 DKEE C#CCCCCC[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1919699204 YKOQIPOIAPRVFJ-QFIPXVFZSA-N 322.448 5.057 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)C1CCCC1 1938420555 LEVIZDNNSXHCRM-ZBFHGGJFSA-N 322.493 5.131 30 10 DKEE CC[C@H](c1cccc(C)c1)n1nc(C2CCCCC2)cc1C#N 2070110636 IVIRFPDUZAPEDM-HXUWFJFHSA-N 307.441 5.110 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(Cl)sc1C 2098162528 QOHFXGJGFIYITN-AWEZNQCLSA-N 302.915 5.355 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2ccsc2C(F)(F)F)C1 2168521530 YXQFTQUFWKAPBI-CQSZACIVSA-N 304.377 5.095 30 10 DKEE CC1(C)CCCC[C@@]1(C=O)Cc1cscc1C(F)(F)F 2173657010 XIINCUQYBUQICO-AWEZNQCLSA-N 304.377 5.095 30 10 DKEE C=C([C@H](NCCC)C(F)(F)C1CCCCC1)[Si](C)(C)C 2185222531 ARTIDPCOMMNUHW-HNNXBMFYSA-N 303.513 5.004 30 10 DKEE CCCCCCCCCCCCN=[S@@](=O)(CC)C(C)C 2195924928 YFMGUOLYVNBBSM-HXUWFJFHSA-N 303.556 5.804 30 10 DKEE Cc1ccc(N[C@H](C)c2cccc(Cl)c2Cl)cc1C#N 2199337721 HIDFIJRBBLASJG-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=CCCCCCCCCC(=O)c1cc(Cl)ccc1Cl 2207414343 OCNKNXMKZKPWOY-UHFFFAOYSA-N 313.268 6.483 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1ccc(Cl)s1 2207453276 LCGQCURPWMHUFY-CZUORRHYSA-N 317.926 5.164 30 10 DKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)c1cc(Cl)sc1C 2239474851 ZHWUAOJCOCYUCN-HNNXBMFYSA-N 324.276 5.066 30 10 DKEE C=C(C)CCCCC(=O)c1sc(C)cc1Br 2244657172 VIQWZDHJAOBEGL-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=CCCSc1ccc(F)c(Cl)c1CN[C@H](C)CC 2271496993 CUHQJEPBLRTOSA-LLVKDONJSA-N 301.858 5.035 30 10 DKEE C=C(C)CCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 2271784491 SZEDCQRIWRBSII-OAHLLOKOSA-N 304.236 5.443 30 10 DKEE C=CCCCCC[C@@H](OCCCN)c1cc(Cl)sc1C 2294043797 DDNGYIGGELGUSM-OAHLLOKOSA-N 315.910 5.253 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ncc(Cl)cc1F 2295595790 CNWMOYKOQVILIQ-INIZCTEOSA-N 301.833 5.222 30 10 DKEE CCCOc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1 2295968025 VESZXENTMHRJCC-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Br)cc1Cl 2304024612 MGSCNGYALYWCBV-ZIAGYGMSSA-N 316.670 5.095 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2321225214 OQZZXZGTNKTSRO-KBPBESRZSA-N 307.648 5.673 30 10 DKEE C=CCC(CC=C)SC[C@H](N)c1cc(Cl)cc(Cl)c1 2335204790 WZLORGAFKFJPAN-HNNXBMFYSA-N 316.297 5.247 30 10 DKEE C#CCCCCCCN[C@H](CC)c1cccc(Br)c1 2338815461 ZBFBGWYHEIMRCQ-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(OC)c(Cl)s1 2365816920 SUMRKRRADLRMDI-ZDUSSCGKSA-N 317.926 5.811 30 10 DKEE C=C1C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2008916 NIKHGUQULKYIGE-MCHXDPIISA-N 302.458 5.040 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21 14548839 WLVSSHGKUXNWSB-MUKKUYKPSA-N 309.434 5.139 30 10 DKEE N#C[C@H](CCOc1ccccc1F)c1cccc2ccccc12 57686230 NDPZYKMSQLJYNO-INIZCTEOSA-N 305.352 5.055 30 10 DKEE C=CCSc1ccccc1N[C@H](c1cccs1)C(C)C 109900824 ZGXDAMFGRVSQOK-KRWDZBQOSA-N 303.496 5.835 30 10 DKEE Cc1cc(Nc2ccc(Cl)cc2C#N)ccc1Br 110252099 MHZRPRQQSCORKK-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccc(Cl)nc1 156214663 OCWSEPAQRXRSPD-QGZVFWFLSA-N 311.897 6.079 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2[nH]ccc2c1 387931179 REGISTPEVBMHAN-UHFFFAOYSA-N 300.446 5.038 30 10 DKEE CCCCCCCNCc1cc(Br)ccc1Cl 703756880 NVYVMSAKQFKVMD-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE CCCCCCCCC[C@]1(N)CCN(Cc2ccccc2)[C@@H]1C 705155576 OUHWJDQFJCDZKA-CTNGQTDRSA-N 316.533 5.119 30 10 DKEE Cc1cc(C)cc(C#Cc2cc(Cl)ccc2Br)c1 1614824889 FNUVJMURMLGHLI-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CC(C)(C)c1ccc(C(=O)ON=C2CCCCCCC2)cc1 1860820727 DJAAJZLRIFWUKJ-UHFFFAOYSA-N 301.430 5.241 30 10 DKEE CCCCCCCCCCNC(=O)c1cc2ccccc2cn1 1866232160 KAKYAUPQUQLXRE-UHFFFAOYSA-N 312.457 5.105 30 10 DKEE C=C([C@H](NCCC)c1csc(C(F)(F)F)c1)[Si](C)(C)C 1922962536 KPGGBTKVQZOBKU-ZDUSSCGKSA-N 321.484 5.241 30 10 DKEE C=CCC[C@H](C)Nc1cc(Br)c(Cl)cc1F 1980397771 AVPUCZCEQHFEHD-QMMMGPOBSA-N 306.606 5.008 30 10 DKEE C#CCCCC[C@H](NCCC)c1scc(Cl)c1Cl 2053231745 OUUZDFWMCQZQPK-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C=CC[C@](C)(Nc1nc(Cl)c(Cl)cc1Cl)C(F)F 2061765830 PVCCDUJKTCNRPF-NSHDSACASA-N 315.578 5.054 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2102112242 RBEYXMQCYBDCTD-WBMJQRKESA-N 300.273 5.636 30 10 DKEE CCC#CC[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2117451909 GGCGLEYHZFDBLL-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE C=CCC[C@H](C)Oc1c(Cl)cc(Cl)cc1CNCCC 2158325799 ZELCCOSSCKYOLY-LBPRGKRZSA-N 316.272 5.227 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2163367993 GEDNMEMODJBSEG-SECBINFHSA-N 306.711 5.024 30 10 DKEE C=CC[C@@H](C)[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164166497 UOLOVIPVLUFJIA-PXAZEXFGSA-N 305.874 5.541 30 10 DKEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1ccc(Cl)c(Cl)c1 2164481112 BAAKWXURNCAJFL-HZPDHXFCSA-N 314.256 5.311 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(OC)c(Cl)c1Cl 2203430704 NDIXIXANMYMCFW-CYBMUJFWSA-N 319.272 5.786 30 10 DKEE CCCC#CC[C@@H](NCCC)c1cscc1C(F)(F)F 2203787423 MRFUBKQEZLKFPR-CQSZACIVSA-N 303.393 5.001 30 10 DKEE C=CCCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2203938985 CQSBFPHMBDMRKM-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE CCCCCCC[C@@](C)(O)C(=O)c1c(Cl)cccc1Cl 2205708075 CFGAYFIGRBPHDS-MRXNPFEDSA-N 317.256 5.288 30 10 DKEE C=CCCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 2206900821 WTXDGCCWBBHMPW-HNNXBMFYSA-N 314.300 5.651 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1cc(Cl)cc(Cl)c1 2231497921 WMVDNDXLNXCSRP-OLZOCXBDSA-N 300.273 5.116 30 10 DKEE C=CCCC(C)(C)NCc1ccc(Cl)c(C(F)(F)F)c1 2236299004 MTCDUINDUOQQTH-UHFFFAOYSA-N 305.771 5.193 30 10 DKEE C=C[C@H](CC)OC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2239489095 FUZHZOHVQASLPI-HZPDHXFCSA-N 316.272 5.015 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(C)c(Br)c1 2271792404 USESLAGYEOGCRH-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1C 2279048661 XHSARKDIAOYEDO-QGZVFWFLSA-N 316.316 6.442 30 10 DKEE C=C(C)CCCC[C@H](OCCC(=O)O)c1cscc1Cl 2292731828 SGHJDDINLOHAIY-AWEZNQCLSA-N 316.850 5.070 30 10 DKEE C=CCC[C@H](C)[C@@H](OCCCN)c1cccc(Cl)c1Cl 2293908830 DNZWFQNKIKZVEZ-BLLLJJGKSA-N 316.272 5.002 30 10 DKEE CCCCCCCCCC[C@H](CCSC)OCCCN 2294559363 LZVAUDGAPOBVCC-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE CCCCCCC[C@@H]1CCC(=Cc2ccc(SC)cc2)C1=O 2297563099 XHUOHCWQWJSYPL-QGZVFWFLSA-N 316.510 6.132 30 10 DKEE CCC(=NOCc1ccc(Cl)c(Cl)c1)c1ccccc1 2330245730 GDAUXRPRVNCYDN-UHFFFAOYSA-N 308.208 5.324 30 10 DKEE C=CC[C@H](C)Sc1c([C@@H](C)NCC)ccc(Cl)c1F 2335246691 YFNWYASWZLKGBS-WDEREUQCSA-N 301.858 5.206 30 10 DKEE C=CCC(C)(C)[C@@H](N)c1cc(Br)cc(C(C)(C)C)c1 2344337422 QJSMBYMNEUIIFA-HNNXBMFYSA-N 324.306 5.349 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H]1CCSc2ccc(Cl)cc21 2362210607 KZOZBWTTWUAPFW-MAZHCROVSA-N 307.890 5.211 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 2366414366 KYSSSDRNQKQDQB-JTQLQIEISA-N 315.215 5.698 30 10 DKEE C=CCCCCCCCCNCc1cc(Cl)cc(Cl)c1 2366931661 GPRQIDAXGTXZQL-UHFFFAOYSA-N 314.300 6.000 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1Cl)c1ccc(OCC#N)cc1 37188088 DYMHZKRBOZQOFY-LLVKDONJSA-N 321.207 5.069 30 10 DKEE C[C@H](Nc1ccccc1SC(F)F)c1cccc(C#N)c1 37197828 ZYZKLGUKNCLRSV-NSHDSACASA-N 304.365 5.046 30 10 DKEE N#C[C@H](C(=O)CCC1CCCCC1)c1ccc(Cl)cc1Cl 37346223 BDBGGFURDPYJGN-HNNXBMFYSA-N 324.251 5.530 30 10 DKEE C=CCSc1ccccc1NC(=O)c1cc(Cl)ccc1F 40419540 JJIAXATVVRVJKI-UHFFFAOYSA-N 321.804 5.010 30 10 DKEE Cc1ccc([C@H](C#N)CCOc2ccc3ccccc3c2)cc1 57685009 DJTBDXRENJCPQF-FQEVSTJZSA-N 301.389 5.225 30 10 DKEE Cc1ccccc1[C@H](C#N)CCOc1cccc2ccccc12 57686750 QKKNTHNLRMHRIA-SFHVURJKSA-N 301.389 5.225 30 10 DKEE CCCCCCCCCCC[C@@H]1C[C@H]1CCCCC(=O)OC 100056077 RBKVUWMZDIQOTG-RTBURBONSA-N 310.522 6.277 30 10 DKEE CCCCCCCCCc1ccnc(NCc2ccccc2)n1 113466701 PTQTVIHVFVBLOC-UHFFFAOYSA-N 311.473 5.382 30 10 DKEE CCCCCCCCCC(=O)CSc1ccccc1Cl 116823430 DKHBKCREPHNJMS-UHFFFAOYSA-N 312.906 6.142 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccc(Cl)cn1 129581275 FVPCPXCPMGPODE-SFHVURJKSA-N 311.897 6.079 30 10 DKEE CCCCCCCCOc1c(Cl)cccc1CNC1CC1 135860264 LJJSKVXGBWUBQN-UHFFFAOYSA-N 309.881 5.331 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H]1CSc2ccccc21 139673019 KDOOEDKTAMEUNJ-ZWKOTPCHSA-N 305.531 5.605 30 10 DKEE Cc1cc(C#N)ccc1N[C@@H](C)c1ccc(Cl)cc1Cl 203441860 MGARQVMPCDZJRM-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@H](NCCC)[C@@H]1SCCS[C@@H]1C 228134360 PITIRQQUIGICPF-IXDOHACOSA-N 317.608 5.342 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2cc(Cl)ccc2Cl)CC1 232908705 OSQVFIDQSJIHIX-AJQRCPHMSA-N 312.240 5.137 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Cl)cc(Br)c1 236315635 FXFVXPNPWROAEW-CQSZACIVSA-N 316.670 5.239 30 10 DKEE CCCCCCCc1nc(C(C)C)n(Cc2ccccc2)c1N 303032090 WPLGFILDOZMZIC-UHFFFAOYSA-N 313.489 5.150 30 10 DKEE CCCCCCCCc1nc2c(Br)cccc2[nH]1 310855551 SOPQMNIVYYQRNH-UHFFFAOYSA-N 309.251 5.228 30 10 DKEE CCCCCCC[C@H](O)c1ccccc1OCc1ccccc1 390782691 UAPVJOJDGDKZNT-FQEVSTJZSA-N 312.453 5.660 30 10 DKEE CCCCCCCCCNCc1csc(Br)c1 397262245 IXISSVVVCAGNOF-UHFFFAOYSA-N 318.324 5.351 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cccc(Cl)c1Cl 686697115 NAEBETQHPILIGS-INIZCTEOSA-N 312.284 5.618 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1c(Cl)cccc1C(F)(F)F 695856763 AEGZQWBRUJUTSB-SECBINFHSA-N 304.743 5.099 30 10 DKEE C=C1CCC(CNC(c2cccs2)c2cccs2)CC1 724446838 MADVOZXHIOIEQL-UHFFFAOYSA-N 303.496 5.235 30 10 DKEE CCCCCCCCCCCCSC(=N)N(CC)CC 1920057521 NGQUZWXORLCGOZ-UHFFFAOYSA-N 300.556 5.917 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(Cl)c(F)c1F 1923352448 UWDROWIACYACNK-CQSZACIVSA-N 303.824 5.629 30 10 DKEE CCCCCCC[C@H](C)Nc1cscc1Br 1926848238 KTSBBTNDVJTUAI-NSHDSACASA-N 304.297 5.672 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(Br)c(Cl)s1 1984518981 JWGQWANSWPBABL-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(OCc2ccccc2)cc1 1996470711 OIICUZJROQVMJU-AVRDEDQJSA-N 323.480 5.519 30 10 DKEE C=C(COCc1ccccc1)C[C@H](NCCC)c1ccc(C)cc1 2003626394 JKLNFWOWIZXXGO-QFIPXVFZSA-N 323.480 5.199 30 10 DKEE C=C[C@H](N[C@@H](C)c1ccc(OCc2ccccc2)cc1)C1CCC1 2020962334 VHCPLYCMOARZBV-JTSKRJEESA-N 321.464 5.271 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCCC[C@@H]2C)c1Br 2027611308 PWQPUHSMOOVQBW-BBRMVZONSA-N 306.247 5.020 30 10 DKEE Cc1ccc(N=CC=C2N(C)c3ccccc3C2(C)C)c(Cl)c1 2040466844 OHTQFOLRCAQXLU-UHFFFAOYSA-N 324.855 5.662 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1Cl 2081451095 GTBLJVPWFNAQOX-CQSZACIVSA-N 309.664 6.041 30 10 DKEE C=C1CCC(n2c(S)nc3ccc(Cl)c(Cl)c32)CC1 2103437893 GYZCRRSKOXOMKZ-UHFFFAOYSA-N 313.253 5.303 30 10 DKEE Cc1cccc(C[C@]2(C=O)CCCC(C)(C)C2)c1Br 2112215753 WRJZBHRZPYRZIC-QGZVFWFLSA-N 323.274 5.086 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(F)cc(Br)c2)C1 2112241034 ZKTHJQINSVJCSF-INIZCTEOSA-N 324.237 5.241 30 10 DKEE C=CCCCCC[C@@H](N)c1cccc(SC(F)(F)F)c1 2154636968 PKRMSDHRPJOWOC-CQSZACIVSA-N 303.393 5.435 30 10 DKEE CC(C)Sc1ccccc1Nc1ccc(C#N)cc1Cl 2158456805 HAGDAVUUGALCEX-UHFFFAOYSA-N 302.830 5.456 30 10 DKEE C=CCCCCC[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2200839376 OGKJOAKTLIPGFL-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2227316329 NUIZZPITPOUTKZ-YGRLFVJLSA-N 320.691 5.900 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1cc(Cl)ccc1Cl 2235523999 LNNSFONERMIHRS-QGZVFWFLSA-N 314.300 6.084 30 10 DKEE CCCCCCCCCCCCNC1CSCCSC1 2237077139 PJDHRELXDLSRFN-UHFFFAOYSA-N 317.608 5.346 30 10 DKEE Cc1cccc(N[C@H](C)c2cc(Cl)cc(Cl)c2)c1C#N 2237998728 SGICFWQSDYYZRN-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1cc(Cl)cc(Cl)c1 2240622253 RAOLNOXDMHINIQ-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cocc1Br 2258115415 XFLXYPJKZFASEE-OAHLLOKOSA-N 316.283 5.443 30 10 DKEE C=CCCCCCCCSc1ccc([C@@H](C)O)cc1Cl 2287182413 ONCYUUJRHZNMBH-CQSZACIVSA-N 312.906 6.012 30 10 DKEE CCCCCCCCC[C@H](C)NCc1cc(C)c(Cl)s1 2295678376 HSMQBGWYIIYLNI-HNNXBMFYSA-N 315.954 6.329 30 10 DKEE Cc1cccc(NC=CC(=O)c2ccc(C(C)(C)C)cc2)c1C 2297681090 NOAOCFBIYXUFOP-UHFFFAOYSA-N 307.437 5.409 30 10 DKEE C=CCCCCCCNCc1cc(F)c(Cl)cc1Cl 2349792805 GZNXEPIFXZWVMD-UHFFFAOYSA-N 304.236 5.359 30 10 DKEE CC1(C)CCCC[C@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2377418398 VAJHDAMDTHUXRZ-MRXNPFEDSA-N 317.231 5.461 30 10 DKEE C=C(C)COc1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@@H]21 20753040 DRIZJZGZPHJSTL-NBQZKYEYSA-N 323.461 5.530 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 37344001 QGAIECKDLWFYAL-VXGBXAGGSA-N 312.240 5.386 30 10 DKEE Cc1ccc(C(=O)/C=C\c2cc(Br)cs2)cc1C 96766807 WKJBRHOTVYOKRK-WAYWQWQTSA-N 321.239 5.024 30 10 DKEE CCCCCCCC[C@@H](N)Cc1cccc(Br)c1 109719516 NDKPCQOUHCRMGD-MRXNPFEDSA-N 312.295 5.070 30 10 DKEE CCCCCCCCCCCCNc1cccc(SC)c1 110154047 PGXBORCZPNURCM-UHFFFAOYSA-N 307.547 6.741 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(F)c(Br)c1 126449360 XBZZFBBXMFREPM-OAHLLOKOSA-N 316.258 5.209 30 10 DKEE CCCCCCCCCCN[C@@H](C)c1ccc(F)cc1Cl 129216867 PKLBDMZKNXUOCA-HNNXBMFYSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCCCC[C@H](CCSC)NCC 143499342 AKNYKJLEFQFGBF-GOSISDBHSA-N 301.584 6.029 30 10 DKEE CCCCCCCCCOc1ccc(-c2ncc[nH]2)c(Cl)c1 169964116 MKBQUEXKGZRCMO-UHFFFAOYSA-N 320.864 5.860 30 10 DKEE C(=NN(Cc1ccccc1)Cc1ccccc1)C1CCCCC1 261080418 BPNKIHDRZOCGOV-UHFFFAOYSA-N 306.453 5.255 30 10 DKEE CCN[C@H](CC#CC(C)(C)C)c1cc(Cl)sc1Cl 305898603 WLAJNQUXWFYISD-LLVKDONJSA-N 304.286 5.145 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(C(F)(F)F)s1 395052513 OFRBZNTVWIFJAX-LBPRGKRZSA-N 307.425 5.778 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Br)oc1C 396486996 BRIVWLHMZOIBHF-CQSZACIVSA-N 316.283 5.491 30 10 DKEE C=C1C[C@H]2CC(NCc3c(Cl)cccc3Cl)C[C@@H](C1)C2 697295360 HEHICKZJILVMKG-PBWFPOADSA-N 310.268 5.218 30 10 DKEE CCC[C@@H]1CCC[C@@](C#N)(N(CCC)C(=O)OC(C)(C)C)CC1 698965237 OXHXWRMZVMVASB-VQIMIIECSA-N 322.493 5.276 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 715723616 SUNVUVIYIVEYRW-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE CCCCCCCC[C@H](N)c1oc(Br)cc1C 716116844 IMVPKVMWMQNSMI-LBPRGKRZSA-N 302.256 5.101 30 10 DKEE Fc1ccc2sc(SC(F)(F)F)c(C(F)(F)F)c2c1 725305185 RJNKFAXTBGQNEV-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CCSc1ccc(/C(=N/OCc2ccccc2)C2CC2)cc1 821233802 CMHBEWZSZKFEQX-FMQUCBEESA-N 311.450 5.130 30 10 DKEE N#Cc1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1 1848368082 JVVUEXDIZLOZHM-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCCCCCCSc1nc(-c2ccc(CC)cc2)cs1 1860796038 APTWCSIEPYAMFR-UHFFFAOYSA-N 319.539 6.435 30 10 DKEE C=C1CCC(C[S@@](=N)(=O)c2cc(Cl)ccc2Cl)CC1 1879721874 XOPRFYVIKIDBBD-LJQANCHMSA-N 318.269 5.145 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@@H]1C[C@H]1C1CCCCCC1 1897646393 BDHKVXRPSXYIRB-VXKWHMMOSA-N 311.513 5.671 30 10 DKEE CCCCCCCC(=O)[C@](C)(O)c1cc(Cl)sc1Cl 1919408448 MMJJIWJLMMXFOM-CQSZACIVSA-N 323.285 5.192 30 10 DKEE CCCCCC#CCOc1cc(Br)ccc1Cl 2024414101 VUHKQRQWBXMDNN-UHFFFAOYSA-N 315.638 5.065 30 10 DKEE N#CC1(Sc2ccc(Br)cc2)CC(C2CCC2)C1 2029297384 XPWAIZPXBJGVEJ-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE C=C(C)CC[C@H](C)NC1CC(c2ccc(Br)cc2)C1 2096544667 IGSTYTDHRBOOGH-KTAKPFMOSA-N 322.290 5.030 30 10 DKEE C=CCCCC[C@@H](Cc1cccc(Br)c1)NCCC 2123079115 AREZWSVOGLLJFJ-KRWDZBQOSA-N 324.306 5.106 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc(Cl)sc1Cl 2142432560 SPTKJFJTZQTVCW-ZDUSSCGKSA-N 320.329 6.362 30 10 DKEE CCCCCCCCNc1c([N+](=O)[O-])ccc(Cl)c1Cl 2159733941 JURYURRJMVNFCS-UHFFFAOYSA-N 319.232 5.674 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1ccc(Cl)cc1Cl 2173630922 ZBYZGSCDSBLYER-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE CC(C)[C@H](Nc1cc(Cl)c(F)cc1C#N)c1cccs1 2184457771 ILFZPRBNLUKGPP-HNNXBMFYSA-N 308.809 5.221 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cc2cscc2s1 2203818042 CNSSXMFLLVWNCJ-OAHLLOKOSA-N 305.512 5.587 30 10 DKEE CC#CCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203968691 BNISTUGSKWKPHO-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCCCCCC[C@](O)(CC)c1ccc(Cl)c(Cl)c1 2206989866 LDFZETBFOPRKFE-QGZVFWFLSA-N 315.284 6.118 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(F)cc1OC 2207368301 LGAQDTTZTYOJAR-OAHLLOKOSA-N 301.833 5.109 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H](O)c1cc(Cl)cs1 2207436418 KQIPDOSHXVNZFG-GOEBONIOSA-N 315.910 5.069 30 10 DKEE CCCCCCCCCCCCOCC/C=C/Br 2223233339 HOBWKDADMKWGFN-SDNWHVSQSA-N 319.327 6.223 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1Cl)c1cc(F)cc(Cl)c1 2238007745 VISWCPYSOSCAPQ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(CC)COc1c(Cl)cc(Cl)cc1CN[C@H](C)CC 2240215674 SFTWSFNAQFGHJW-GFCCVEGCSA-N 316.272 5.227 30 10 DKEE C=C(CC)C[C@H](NCC)c1scc(Br)c1Cl 2242663420 VSGGGMNDCUXCKC-JTQLQIEISA-N 322.699 5.171 30 10 DKEE CCCCCCCCC[C@]1(C)C(=O)CCN1Cc1ccccc1 2246068262 YZJMHNQWGAHJGL-OAQYLSRUSA-N 315.501 5.361 30 10 DKEE C=CCCCCCCCSCC(=O)c1ccc(CC)s1 2287096401 KLQMTJDVNLYYQD-UHFFFAOYSA-N 310.528 5.753 30 10 DKEE C=CCCCCCCCSC[C@H](NCC)c1nccs1 2287194967 WAESNAOQHCZGMK-HNNXBMFYSA-N 312.548 5.054 30 10 DKEE CC(C)c1ccc(C(=O)C=CNc2ccc(Cl)cc2F)cc1 2296875773 FKWQOIHNPLUGSU-UHFFFAOYSA-N 317.791 5.411 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cscc1Br 2304062641 NTQXVZMQAOKJAN-KGLIPLIRSA-N 316.308 5.154 30 10 DKEE CCOc1ccc2c(c1C)OC(=Cc1ccc(C(C)C)cc1)C2=O 2322274327 HVHMZOWRAVLBEV-UHFFFAOYSA-N 322.404 5.133 30 10 DKEE CCCCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1C 2339050416 PVYIICXBMVJWNS-CQSZACIVSA-N 303.277 5.167 30 10 DKEE CC(C)(C)[C@](C)(CS)COCc1cccc(Cl)c1Cl 2352176422 NGCAVLHFPZJKKO-HNNXBMFYSA-N 321.313 5.492 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)CC(F)(F)F 2360199306 WCNGDNYPDKUEKN-HXUWFJFHSA-N 315.445 5.516 30 10 DKEE FC(F)(F)Cc1ccc(OCCCCCCCS)cc1 2361946100 QEAJWSRLJIYDSF-UHFFFAOYSA-N 306.393 5.051 30 10 DKEE Cc1c(C(=O)CC=CC#CC(C)(C)C)ccc(Cl)c1Cl 2364433823 AVFBAVSQOQPZHD-UHFFFAOYSA-N 309.236 5.480 30 10 DKEE CCc1cccc(C)c1-n1c(C)cc(/C=N/C2CCCCC2)c1C 59104513 PNZJKGQRDZBZQN-HZHRSRAPSA-N 322.496 5.717 30 10 DKEE CCCc1nc(CSC2CCCCC2)sc1CS 82427851 NTVFMHZAESXOQB-UHFFFAOYSA-N 301.546 5.091 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2cccs2)c(C)c1C 83193468 QBSHRAWZTJPMRF-CMDGGOBGSA-N 314.450 5.358 30 10 DKEE COc1cccc(/C=C/C(=O)c2ccc(C)c3ccccc23)c1 83204431 BHOLPPUCERURIH-ACCUITESSA-N 302.373 5.053 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccc(F)cc1Cl 109744511 DHROXKHBOZAAJL-GOSISDBHSA-N 313.888 6.270 30 10 DKEE CCCCCC(CCCCC)Nc1cc(Cl)ccc1C#N 109788164 TYCGCXOBEYJQOV-UHFFFAOYSA-N 306.881 6.153 30 10 DKEE Cc1ccc(C#N)cc1NCc1sc2ccccc2c1Cl 109945122 KYEDIQSPOKMXCW-UHFFFAOYSA-N 312.825 5.347 30 10 DKEE CCCCCCCCCC(=O)[C@H](C#N)c1cccc(Cl)c1 115858025 MKUNROJKYSWSDS-QGZVFWFLSA-N 305.849 5.657 30 10 DKEE CCCCCCCCCC[C@@H](Cc1cccc(Cl)c1)NN 125378314 CBZKDNAOITVOML-SFHVURJKSA-N 310.913 5.245 30 10 DKEE CCCCCCCCC[C@@H](O)c1ncccc1Br 140103252 IXNQQTPTKJMICO-CQSZACIVSA-N 314.267 5.018 30 10 DKEE CCCCCCCCNCc1cc(-c2ccccc2)cs1 159152770 ZRFJROWXYOYCMD-UHFFFAOYSA-N 301.499 5.865 30 10 DKEE Cc1cccc(C#N)c1Nc1ccc(Cl)c(Br)c1 221083838 QFMPKYVFVFLCDO-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCNc1cc(Br)c(F)cc1F 228173150 PNNSOQZWGJXRCD-UHFFFAOYSA-N 320.221 5.500 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)cc2c1OCC2 228476414 VPLNZQRTBDZYDI-QGZVFWFLSA-N 309.881 5.286 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc(Cl)n1 228821354 WYCJHIQZTPBFEO-UHFFFAOYSA-N 310.869 5.594 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1cccc(OCc2ccccc2)c1 310132098 YHCMLZVGDLNIAW-NQIIRXRSSA-N 320.436 5.150 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(Cl)cc(Cl)c2)C1 382184623 MKPZLAQMCBQGRE-HFAKWTLXSA-N 314.281 5.804 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Cl)c(C)c1F 383961401 CEIRRWHRLDWCHI-MRXNPFEDSA-N 300.845 5.962 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1csc(Cl)c1 393510053 SLTCFRGFCNOUPW-INIZCTEOSA-N 315.954 6.192 30 10 DKEE CCCCCCCCCC[C@@H](O)CCNCc1ccccc1 696369977 GAFAIXYEGBJLGL-HXUWFJFHSA-N 305.506 5.058 30 10 DKEE CCCCCCCN[C@@H](c1ccco1)c1ccc(Cl)s1 703738048 BVAXNRVNXRIZDX-INIZCTEOSA-N 311.878 5.644 30 10 DKEE C=CCCC(C)(C)CN[C@@H](CC)c1ccc(Br)cc1 704037952 CTEFBLYAFMYAOK-INIZCTEOSA-N 324.306 5.482 30 10 DKEE CCCCCCCCNC(=O)c1ccc(-c2ccccc2)nc1C 1859779866 GLQLWMWJMOEUAO-UHFFFAOYSA-N 324.468 5.147 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874593240 ZKXBHRHYLCLLHS-JLHYYAGUSA-N 316.400 5.525 30 10 DKEE CCCCc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 1874719180 LXQYLUPJIDHOAK-YRNVUSSQSA-N 314.812 5.284 30 10 DKEE CCCCC[C@H](CC)N(C)c1cc(Br)ccc1C#N 1879294060 CXWRQZUKKGMFER-HNNXBMFYSA-N 323.278 5.116 30 10 DKEE CCC[C@@H](CS)CSCc1ccccc1Br 1902032240 JFMCGKTXCOVMIU-NSHDSACASA-N 319.333 5.028 30 10 DKEE C=CCC[C@@H](O)c1ccc(-c2ccc(Br)cc2)s1 1919664806 QONOMSGGUIXIGX-CYBMUJFWSA-N 323.255 5.177 30 10 DKEE C=C(COCc1ccccc1)C(=O)[C@H](c1ccccc1)[C@H](C)CC 1922076785 ICZWWDLJPRWSFT-UTKZUKDTSA-N 322.448 5.158 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 1947381025 IMLHDOQKWYJDAM-RBUKOAKNSA-N 323.480 5.661 30 10 DKEE CCC1(CC)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1984397412 JLWHTISLUQITTE-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE CC(C)=CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1988794877 NLMKGNIZJSALAW-IBGZPJMESA-N 320.477 5.195 30 10 DKEE C=CCCCCCCCC[C@@H](O)CCCOCc1ccccc1 1995328042 NOLAHKZDWSJECM-OAQYLSRUSA-N 318.501 5.651 30 10 DKEE FC(F)c1cc(Cl)c(C(F)(F)F)cc1OC(F)(F)F 2054949325 MCEKBHJKJUGTNU-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCCCCCCCCNCc1ccc(Br)o1 2086260613 BEVZBBJBFCXVOS-UHFFFAOYSA-N 314.267 5.048 30 10 DKEE CN[C@@H](CC#CC(C)(C)C)c1c(Cl)ccc(Cl)c1Cl 2107826240 JVKLACDSRBDPDK-LBPRGKRZSA-N 318.675 5.347 30 10 DKEE C=CCC[C@@H](C)N[C@@H](c1cccs1)c1ccc(Cl)s1 2110808083 PKBXQYGMUXPZPC-ABAIWWIYSA-N 311.903 5.497 30 10 DKEE C[C@H]1CCCC[C@]1(C#N)Cc1csc(-c2ccsc2)n1 2144694338 HLSVAJOHXOEXGM-BLLLJJGKSA-N 302.468 5.134 30 10 DKEE C=CC1(C[C@H](NCC)c2csc(C(F)(F)F)c2)CCC1 2168023479 MELCPCUHQCNPES-LBPRGKRZSA-N 303.393 5.164 30 10 DKEE C=CC1(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)CCCC1 2189519846 ZTFJYBNWRIHRPY-LLVKDONJSA-N 316.247 5.530 30 10 DKEE N#CCN(Cc1c(Cl)cccc1Cl)C1CCCCCC1 2195573732 ZEDXYNSRWDWXIO-UHFFFAOYSA-N 311.256 5.042 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](N)c1c(Cl)cccc1Cl 2207449172 MKMPKCVMUSEORQ-ZBFHGGJFSA-N 318.288 5.105 30 10 DKEE C=CCCCCCCC[C@H](NN)c1ccc(Cl)cc1Cl 2235527895 ZYYOSDSAPOIHCR-INIZCTEOSA-N 315.288 5.415 30 10 DKEE CCCCCCCCCCCCNC[C@]1(Cl)CC1(C)C 2237980105 WTIOVQBCARAOIW-GOSISDBHSA-N 301.946 5.904 30 10 DKEE Cc1cc(Br)ccc1SC[C@@H](C#N)C(C)(C)C 2248635199 GJLLBSGNOLNUCB-LLVKDONJSA-N 312.276 5.036 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cccc(C)c1Br 2259196762 OPHWMADJXXXPAL-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE CCCCCCCC(=O)Cc1c(F)cccc1Br 2260851955 AUNVDNKEBVGBGB-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c([C@@H](C)O)s1 2271590377 LDSILCISXPPHJW-LLVKDONJSA-N 319.923 5.469 30 10 DKEE CC(C=NNc1ccc([N+](=O)[O-])cc1)=Cc1ccc(C(C)C)cc1 2297318711 GWCRHJDMHHYKNQ-UHFFFAOYSA-N 323.396 5.219 30 10 DKEE C=CCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1 2297448160 QDRUPYCXOVTHOR-UHFFFAOYSA-N 323.392 5.500 30 10 DKEE CCCCCC=CC=C1C=CC(=O)[C@@H]1CCCCCCC(=O)O 2297721730 LDOCIRJMPUHXRM-GOSISDBHSA-N 318.457 5.230 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Cl)c(C)c1Cl 2340155195 DOEGXUXYLMCXHK-GFCCVEGCSA-N 302.289 6.463 30 10 DKEE CCCCCCCCOCc1cc(CNC(C)C)sc1C 123149754 DEIGMNZYDTZPEU-UHFFFAOYSA-N 311.535 5.432 30 10 DKEE CCCCCCCC[C@H](Cc1ccncc1Cl)NCCC 123608922 BJPISVWWDADUIZ-QGZVFWFLSA-N 310.913 5.396 30 10 DKEE CCCCCCCCC(=O)Cc1cc(Cl)ccc1Cl 165814351 PGDNENOHYFAZBL-UHFFFAOYSA-N 301.257 5.856 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 233124663 BJHBIGMYYNHUPG-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE CC(C)c1ccc(N=Cc2ccccc2O)c(Br)c1 254844685 NVDPWTJYBMQAEK-UHFFFAOYSA-N 318.214 5.029 30 10 DKEE Cc1cc([C@H](CC#N)C2CC2)cc(NC(=O)OC(C)(C)C)c1C 260348801 QAQBWKLTNZUNGI-MRXNPFEDSA-N 314.429 5.058 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CS[C@H](C)[C@H](C)S1 300109142 PBHNWZLWVJPHQA-UGUYLWEFSA-N 304.565 5.114 30 10 DKEE CCCCCCCCCCCC[C@@]1(O)CC[C@@H](C)SC1 689400042 GLCPBIFEPKVIQE-QZTJIDSGSA-N 300.552 5.944 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1ccc(Cl)cc1Cl 704005709 MUCLWCAVMULNFF-GFCCVEGCSA-N 300.273 5.636 30 10 DKEE CC/C(=N\OCc1cc(Cl)ccc1F)c1ccc(C)c(C)c1 821218433 QNMABWIQJHIEGL-DYTRJAOYSA-N 319.807 5.427 30 10 DKEE C[C@H](CC(C)(C)C#N)N(Cc1ccccc1)[C@H](C)C(C)(C)C 1931998611 NCWOSAGPFPLZOZ-IAGOWNOFSA-N 300.490 5.252 30 10 DKEE CCCCCCCC[C@H](NC)C1CC(OCc2ccccc2)C1 1976716406 XOZLKCRYCARENK-CBNMVNINSA-N 317.517 5.320 30 10 DKEE C=C([C@H](NCC)c1sc(C)cc1Br)C(C)(C)C 2000370366 BWOSASJZHOAZTH-LBPRGKRZSA-N 316.308 5.072 30 10 DKEE C=CCCCCC[C@H](O)c1cccc(Cl)c1Br 2019769125 QCZXSYBIRFJJNH-ZDUSSCGKSA-N 317.654 5.272 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cccc(C)c1Br 2046001955 HOGSBAPHLLYVMA-MRXNPFEDSA-N 308.263 5.410 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Br)ccc1C(F)(F)F 2048238007 KGFMUXMJFMAYHS-SECBINFHSA-N 322.168 5.235 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC12CC2 2053368082 YGPBBLNBUWLOES-WBMJQRKESA-N 304.231 5.027 30 10 DKEE N#Cc1ccc(OCc2cc(Cl)sc2Cl)c(Cl)c1 2074830633 ATNMCEBVIXSYEN-UHFFFAOYSA-N 318.612 5.159 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](CC)c1ccc(Cl)cc1Cl 2096547204 UYIJQXADEXSWOF-BLLLJJGKSA-N 300.273 5.779 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2099887301 FNTMBLYDKZUWAG-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE CCCCCCCCCCCCN[C@H](C)CSCCC 2144726335 JAGDQEBNMCYDHI-GOSISDBHSA-N 301.584 6.029 30 10 DKEE C=C1CCC(C[C@@H](NC)c2ccsc2C(F)(F)F)CC1 2157627077 NVSKAAKBCMQXMK-CYBMUJFWSA-N 303.393 5.164 30 10 DKEE C=CCCCCCCCCNCc1c(Cl)cccc1Cl 2207435021 HKANMODOSNHSKS-UHFFFAOYSA-N 314.300 6.000 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1NC(C)C 2244455580 KXKQEQIQSZTYRJ-UHFFFAOYSA-N 308.469 5.085 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2c(F)cccc2Br)C1 2273936786 NGLRSOXFXQODHS-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCCC(C)(F)F)C1 2283694381 AANHJSAKBOJVLB-MCIONIFRSA-N 303.462 5.510 30 10 DKEE CO[C@H](CSCC1(CS)CCCCCC1)CC(C)(C)C 2287311893 DPELRNKLQQKHGZ-HNNXBMFYSA-N 318.592 5.441 30 10 DKEE CSc1cccc(SCC2(C(F)(F)F)CCC2)c1C#N 2290377817 RZJLNHVGIKEWQO-UHFFFAOYSA-N 317.401 5.105 30 10 DKEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2cc(F)c(Cl)cc21 2362314703 PSDPIWFMMGDMFO-NOZJJQNGSA-N 310.825 5.035 30 10 DKEE Cc1c([C@@H](O)C2(C#N)CCCCCC2)ccc(Cl)c1Cl 2366012901 SASPWNXNASQBSI-OAHLLOKOSA-N 312.240 5.199 30 10 DKEE C=CCCC[C@H](OCCCN)c1ccc(Cl)c(Cl)c1C 2366101863 WRXMURDEGOUEQO-HNNXBMFYSA-N 316.272 5.065 30 10 DKEE C=CCC(=C)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 36462093 LTZWGGKLOAXUOR-RDJZCZTQSA-N 301.430 5.021 30 10 DKEE N#CCc1ccc(NC(c2cccs2)c2cccs2)cc1 37301971 WSTYVQNFRZVGTM-UHFFFAOYSA-N 310.447 5.077 30 10 DKEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 38882169 QVYPEKCVWOZGPT-FNORWQNLSA-N 311.595 5.543 30 10 DKEE N#Cc1cc2ccccc2nc1Nc1cc(Cl)cc(Cl)c1 71389702 BKVQROVZJOKKMA-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(OC(F)(F)F)cc1 115652894 BSIOIAIPZZXWDR-OAHLLOKOSA-N 304.352 5.369 30 10 DKEE CCCCCCCCCCCCS[C@H](C(=O)O)C(C)C 125968343 IADYQLBZFCAKJD-INIZCTEOSA-N 302.524 5.750 30 10 DKEE CCCCCCCCNc1ncc(C(F)(F)F)cc1Cl 159385842 DQTKBRJHFWNPPH-UHFFFAOYSA-N 308.775 5.526 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1ccc(CC)s1 168818703 VYEIPJKYJRZUNM-KRWDZBQOSA-N 310.547 6.135 30 10 DKEE N#Cc1c(Sc2ccccc2)nc(-c2ccccc2)oc1=S 207243165 CLKGVIFOGMAXMZ-UHFFFAOYSA-N 322.414 5.094 30 10 DKEE CCCCCCCCC[C@H](O)c1nc(Br)cs1 232940273 SNFKSPYSZREQRL-NSHDSACASA-N 320.296 5.080 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 390821430 YSJPNVNKEBLCIL-NRFANRHFSA-N 309.453 5.273 30 10 DKEE CC(C)(C)C[C@H]1CSC(=Nc2ccc(Cl)c(Cl)c2)N1 393445407 RYHSJAMCPBGNSO-JTQLQIEISA-N 317.285 5.122 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1F)c1c(Cl)cccc1Cl 400904022 OMNQWENPEOWHSK-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCC1(O)CC(OCc2ccccc2)C1 716168959 XLMBQFACLWTORE-UHFFFAOYSA-N 304.474 5.237 30 10 DKEE SCC1(CN(Cc2ccccc2)CC2CCCC2)CCCC1 1931882316 RUNDVCZOGPYTKR-UHFFFAOYSA-N 317.542 5.169 30 10 DKEE CCCCCCCCCCCCNC=CC(=O)C(F)(F)F 2040464280 IAUTXWLOHVNBPF-UHFFFAOYSA-N 307.400 5.142 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(Br)c(C)c1 2085914393 AAQWFQCQVKNDNN-INIZCTEOSA-N 311.263 5.318 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1ccc(Cl)c(Cl)c1 2141999392 MXNACRYBPGOCIM-MRXNPFEDSA-N 301.257 5.728 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1cscc1Cl 2142403994 HRLMDQRQOFCJNA-INIZCTEOSA-N 300.895 6.132 30 10 DKEE CCCCCCCCC[C@@H](C[C@@H](C)P(C)(C)=O)NCC 2192519702 OWHAJDPULRLIDT-SJORKVTESA-N 303.471 5.507 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(F)c(Cl)c1F 2200729631 BNADPBFEZDNMON-JTQLQIEISA-N 324.242 6.433 30 10 DKEE C=CCCCCCC[C@H](NCC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 2206899113 KINLHTFGLBFIAR-YVSFHVDLSA-N 315.592 5.117 30 10 DKEE CC#CCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2234030161 XNLLWJUEQQRUPG-INIZCTEOSA-N 312.284 5.098 30 10 DKEE N#C[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCC2(CCCC2)C1 2234060010 XMMWLAODIZDEBE-DOMZBBRYSA-N 308.252 5.961 30 10 DKEE N#Cc1cc(F)c(SCCCCCCC2CC2)cc1Cl 2239553206 VZDGJKKJSHRFNV-UHFFFAOYSA-N 311.853 5.803 30 10 DKEE C=CCCC[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2254741940 OWOVAAPXKSJKCK-MRXNPFEDSA-N 310.279 5.189 30 10 DKEE CC[C@@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)CC1 2269699377 HMZRKLBNRGMKMD-TZMCWYRMSA-N 321.262 5.092 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1sc(C(F)(F)F)cc1C 2294988881 ZHVKBIAQNCVKRZ-GWCFXTLKSA-N 305.409 5.328 30 10 DKEE CCOc1c(C)cc(C)cc1C(=O)C=Cc1ccc(Cl)cc1 2295968053 XVZVRAKQGCNLAB-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE CCC(=O)C=Cc1ccc(-c2ccc(Br)cc2C)o1 2296515188 GKWHYMXUWZHJMU-UHFFFAOYSA-N 319.198 5.010 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1sc(C)c(Br)c1C 2304086149 MQCNUTYONCXBQU-AWEZNQCLSA-N 315.276 5.303 30 10 DKEE C=CCC(CC=C)Sc1ccc(CNCCC)c(Cl)c1 2360368635 PENIJDCFHYONAP-UHFFFAOYSA-N 309.906 5.453 30 10 DKEE C[C@@H](Nc1ccccc1C#N)c1c(Cl)ccc(F)c1Cl 35790283 UMGLPRWALCOMFF-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCOc1ccccc1CNc1cc(Cl)cc(Cl)c1 37199536 IDGYRVNMPJWCKD-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1c(Cl)cccc1Cl)O2 39842668 IWJOUMOWXLDQCX-PXNMLYILSA-N 319.187 5.226 30 10 DKEE CCCCC1CCC(c2nc3ccccc3n2C[C@H](C)C#N)CC1 57800778 WRQPMVWTEPXZCF-WWDZGPRUSA-N 323.484 5.660 30 10 DKEE CCCCCCCCCOc1ccc(Cl)cc1C[C@@H](C)N 109763776 BCEBAPHWOVVXQX-OAHLLOKOSA-N 311.897 5.359 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1C[C@@H](N)CC 112904585 NDYZJMVUDISGDN-KRWDZBQOSA-N 311.897 5.359 30 10 DKEE CCCCCCCC[C@@H](CSc1ccc(Cl)cc1)NC 116836217 KZCFGKGVTGUVKJ-INIZCTEOSA-N 313.938 5.771 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc2sccc2s1 122259980 OACROFCNLBGORK-ZDUSSCGKSA-N 310.532 5.608 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1sccc1Cl 126838178 DJKCFYCSPFCHBE-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE CCCCCCCCCCSCC1(CC(=O)OC)CC1 232936453 HKXNGXQPBJHAGX-UHFFFAOYSA-N 300.508 5.204 30 10 DKEE CC(C)(C#N)CCCCNc1ccccc1OCc1ccccc1 310431904 NLDTVJOLOZETIE-UHFFFAOYSA-N 322.452 5.398 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)cc(Br)c1 715772838 KFEGHKWJRGGCEN-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE CSc1cc2scc(SC(F)(F)F)c2cc1CC#N 725318466 LRSITAACONXUID-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCSc1ccc(/C(CC)=N/OCc2ccccc2C)cc1 821227401 RHDVYIHFXRXFBV-FMQUCBEESA-N 313.466 5.438 30 10 DKEE CCCCCCCCC[C@@]1(N)C[C@@H](C)N(Cc2ccccc2)C1 1920174086 GMORTUSZRLUEOG-TZIWHRDSSA-N 316.533 5.119 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](N)c1cccc(Cl)c1Cl 1920353243 GBGSTVRCQNKWGY-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](NCC)c1ccsc1Cl 1921139530 KKDVLWQXZIMVPM-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1ccsc1Br 1978650630 ASAOCOUGCWBGOA-ZDUSSCGKSA-N 300.265 5.163 30 10 DKEE C=CCC[C@H](C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 1979641038 FODGKZYGSQQXNS-ZWKOTPCHSA-N 309.453 5.271 30 10 DKEE C=CCCCCCCCCC(=O)CCCOCc1ccccc1 1995321940 GKHHSCGUGWNMIJ-UHFFFAOYSA-N 316.485 5.859 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(C)sc1Br 1996471621 VGTGFGRCYAWBSU-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE C=CCCC[C@@H](NCCC)c1sc(C)cc1Br 2000450694 SZSKJIGYNHGBDP-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=C(C)C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC(C)C)cc1 2081084696 RVFQMJLYILQSHG-KRWDZBQOSA-N 319.445 5.006 30 10 DKEE C=CCCCCCCNc1c(C)cc(C)cc1Br 2085849130 HYKUXUKYIJFNAG-UHFFFAOYSA-N 310.279 5.614 30 10 DKEE CCCCCCC[C@H](NCCC)c1snc(Cl)c1Cl 2110890060 XCMLQIVGJJCUNG-NSHDSACASA-N 323.333 5.851 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146759980 SNUBLKPNTMYPGJ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCC#CC[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2174094711 AWZJMKRRHNUZQY-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCc1ccc(C#N)c(Nc2cc(F)c(Cl)cc2Cl)c1 2203821876 CERSEUUQQZMJGB-UHFFFAOYSA-N 309.171 5.310 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(-c2cccs2)s1 2205939422 XRQMRAIXNDNLGB-AWEZNQCLSA-N 305.512 5.874 30 10 DKEE C=CCCCCCCC[C@H](N)c1csc(Br)c1 2214612491 CQHUHWNQQFCSBP-ZDUSSCGKSA-N 316.308 5.427 30 10 DKEE C=CCCCCCCC[C@H](C[C@@H](C)P(C)(C)=O)NCC 2235537888 FSMFWNKHALPRHO-IAGOWNOFSA-N 301.455 5.283 30 10 DKEE C[C@H](CC(=O)[C@H](C#N)c1cccc(Cl)c1Cl)C(C)(C)C 2235756217 IOPHQCWPBHOXMA-ZYHUDNBSSA-N 312.240 5.242 30 10 DKEE CCCCCCCC[C@@]1(C)Nc2cc(Cl)cc(Cl)c2O1 2240557281 WNJSNDPQZPKTLI-INIZCTEOSA-N 316.272 6.265 30 10 DKEE C=C(C)CCCC[C@](N)(CC)c1cccc(Br)c1 2259189090 ZKINLMSTUMISPX-MRXNPFEDSA-N 310.279 5.150 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(CO)cc1Cl 2278805979 JRZZUNWUDAWJTG-UHFFFAOYSA-N 303.229 5.001 30 10 DKEE C=CCCCCCCCSCC1(CS)CCCCCC1 2287191108 GVDZBZRJYLXFEA-UHFFFAOYSA-N 314.604 6.517 30 10 DKEE CCCCCCCCC[C@](C)(CSCC)OCCCN 2293457750 DADONRJGMUUIEX-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2321103413 ZHQSMJJSUCFTID-OTYXRUKQSA-N 306.664 5.510 30 10 DKEE CC(C)(C)[C@](C)(CS)COc1cccc(Cl)c1Cl 2327101030 WJPUUKIKIQENLQ-AWEZNQCLSA-N 307.286 5.354 30 10 DKEE CCCCCCCC[C@H](NC)c1c(Cl)sc(Cl)c1C 2336096849 SRUZMJRQEROSIY-LBPRGKRZSA-N 322.345 6.374 30 10 DKEE C=CC[C@@H](C)Sc1ccc([C@@H](C)NC)c(C(F)(F)F)c1 2360370445 DYQGYERAJSKUQG-GHMZBOCLSA-N 303.393 5.043 30 10 DKEE C=CCC(CC=C)Sc1c(C)sc(CNCCC)c1C 2360377043 UZHNTCFTGNQVHJ-UHFFFAOYSA-N 309.544 5.477 30 10 DKEE CCCCCCC[C@H](O)C(=O)c1c(Cl)cc(F)cc1Cl 2360487729 XKFOOITZAUTJSU-ZDUSSCGKSA-N 321.219 5.037 30 10 DKEE C=CC[C@H]1CCC[C@H]1NCc1sc2ccccc2c1Cl 2362221295 YHEILDQAZOGNTJ-GXTWGEPZSA-N 305.874 5.389 30 10 DKEE CC1CCC2(CC1)CS/C(=N\c1ccccc1C(C)C)N2 53098925 MJMUVHKXJGRUIS-UHFFFAOYSA-N 302.487 5.083 30 10 DKEE SCCCCCCCCCOCc1ccccc1Cl 97799696 IVJZVKPYSBOFTB-UHFFFAOYSA-N 300.895 5.517 30 10 DKEE C=C(Cl)COc1c([C@@H](C)NC(C)C)ccc2ccccc12 110094196 IKFJGHCIXUGFSJ-CQSZACIVSA-N 303.833 5.030 30 10 DKEE N#C[C@H](C(=O)CC1CCCCCC1)c1ccc(Cl)cc1Cl 162026968 KANYUVVUWPXTMD-HNNXBMFYSA-N 324.251 5.530 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Br)ccc1C 167678042 IXKMWPHAOGMNSV-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CC(C)(C#N)CCCCn1ccc2ccc(Br)cc21 232528072 CHOBHAZMJQYSIA-UHFFFAOYSA-N 319.246 5.124 30 10 DKEE C=C(C)CC[C@H](NCCC)c1c(C)cccc1Br 386902612 ZCIHMXCVTOFAHU-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)c(F)c1F 396629827 JCZFVONWRKAEEJ-UHFFFAOYSA-N 304.808 6.138 30 10 DKEE CCCC1([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)CCC1 686133992 TZIHIYBNKNQDGM-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE Cc1ccc(/C(=N/OCCCc2ccccc2)C2CC2)c(C)c1 821229073 KRERBXAMPVGHLD-QURGRASLSA-N 307.437 5.067 30 10 DKEE CC(C)(C)C1CCC([C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 1895771201 WTTICPUVFGLJJD-SSHXOBKSSA-N 306.299 5.321 30 10 DKEE CCCCCCC[C@]1(O)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 1896567899 GDWFACFEQGOKOJ-TUFLPTIASA-N 316.485 5.093 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccc(Cl)cc1Cl 1920488872 ITLFUBGSWZCIFX-MRXNPFEDSA-N 302.289 5.918 30 10 DKEE CC(C)C(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1938416114 LCARCPFUQZWDCS-INIZCTEOSA-N 322.493 5.131 30 10 DKEE C=C([C@@H](NCC)c1scc(C)c1Br)C(C)(C)C 1950858393 HRWRLPUEFSQWDK-GFCCVEGCSA-N 316.308 5.072 30 10 DKEE C=CCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 1978877793 RKDMLZBHAPEYHB-HSALFYBXSA-N 310.485 5.029 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(Br)c(C)s1 2000304004 WJVFVXIIJCNHLF-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cccc(Cl)c1Br 2000381996 KCNXVCWNVYBCJT-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=C([C@H](O)c1cc(Cl)c(C)c(Br)c1)C(C)(C)C 2002244291 MAPMSTSFSMEHRQ-ZDUSSCGKSA-N 317.654 5.047 30 10 DKEE CCN[C@H](CC#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2038530613 NCAVCEYMZKTXKZ-LLVKDONJSA-N 304.286 5.145 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)sc1C)[Si](C)(C)C 2045770340 OKZPOGPGPCOCDN-AWEZNQCLSA-N 301.959 5.184 30 10 DKEE C=C(C)CCC[C@@H](NCCC)c1ccccc1Br 2050515633 OEXGJRDHVUEIDP-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE FC(F)c1c(C(F)(F)F)ccc(OC(F)(F)F)c1Cl 2054960189 YAGYNMIVFTWQHO-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1ccc(C)cc1C 2070124902 IYWZJCBESDYQNM-JOCHJYFZSA-N 320.480 5.528 30 10 DKEE C=CCCCC[C@H](Cc1ccc(Cl)cc1Cl)NCC 2123081090 STOCBBXGVLHBRG-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE CCCCCC#CCC[C@@H](NC)c1ccccc1Br 2138993761 LHVYYLQXAHPBTF-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(F)ccc(Cl)c1F 2154607664 YIHFJENYFDPWHR-CQSZACIVSA-N 303.824 5.759 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 2158329456 WSLOSNAILXAZAE-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C=C([C@H](N)c1ccc(-c2ccccc2Cl)s1)[Si](C)(C)C 2164001739 FUHCRVIPXQJYBU-INIZCTEOSA-N 321.949 5.502 30 10 DKEE C=C(C)CC[C@@H](C)NCc1ccc(C(F)(F)F)c(Cl)c1 2164692702 YQYHPKIVSFOZTH-LLVKDONJSA-N 305.771 5.193 30 10 DKEE FC(F)(F)CN(CCCCCCCCCS)C1CCC1 2170201950 QNMUDOVAUGWCOV-UHFFFAOYSA-N 311.457 5.064 30 10 DKEE C=CCC(C)(C)OC[C@H](NCC)c1c(Cl)cccc1Cl 2187285013 ZGCLIVMVTZKANY-AWEZNQCLSA-N 316.272 5.015 30 10 DKEE CCCCCCCCCCN(C)Cc1cc(C)c(Cl)s1 2195670493 MUOGGBSABMQMMR-UHFFFAOYSA-N 315.954 6.282 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc3sccc3s2)C1 2205529419 MCIRPUYRSKXONL-XFBWCDHKSA-N 305.468 5.106 30 10 DKEE N#Cc1c(Br)cccc1NCCCCCCC1CC1 2225811284 LMVJGIUSYIIILV-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE N[C@@H](CCCC(F)(F)C(F)(F)F)c1cscc1C(F)F 2240436735 PCMINYMOZASEQH-QMMMGPOBSA-N 323.277 5.053 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccc(Cl)c(Cl)c1F 2240654871 WGWNTWLGYGVIAP-LBPRGKRZSA-N 320.279 6.684 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Br)cnc1C 2254008369 RYKZAWOGBCTFHA-GFCCVEGCSA-N 313.283 5.313 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1ccc(Br)cc1 2271791945 PYSJLMPUPLGEBI-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1c(Cl)cncc1Cl 2271792588 VWSHDDKAASOAMF-CQSZACIVSA-N 301.261 5.176 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cccc(Br)c1 2271834641 IEWHWDOCQRSZJW-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE CCCN[C@@H](C#CC1CCCCC1)c1cc(C)c(Cl)s1 2289771925 CBNFKLQQSCFXES-HNNXBMFYSA-N 309.906 5.334 30 10 DKEE C=CCCCCC[C@H](OCCC(=O)O)c1ccsc1Cl 2291443143 NCWKCXZDPKZJNL-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE CCCCCCC[C@@](C)(CSC(C)(C)C)OCCCN 2293649064 OZRODGMFVFZMMZ-KRWDZBQOSA-N 303.556 5.003 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1ccc(Cl)c(Cl)c1 2294420316 SIKATWWZCJVTNS-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(C(F)(F)F)s1 2295003403 HOMQHGDEFQBFCY-GFCCVEGCSA-N 305.409 5.554 30 10 DKEE CCOc1ccc(C(=O)C=Cc2c(Cl)cccc2Cl)cc1 2297330158 XJTXSCILVDCVLC-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(C)c(Br)c1 2321116071 IDVFCXNXPQNWPB-HOTGVXAUSA-N 310.279 5.010 30 10 DKEE CC(C)CC1CC(C#N)(Sc2cccc(Br)c2)C1 2328545140 VGTNWILDEAWJAD-UHFFFAOYSA-N 324.287 5.260 30 10 DKEE N#Cc1cc(Br)cc(NCCCC2=CCCCC2)c1 2340965976 CMNLFOFMWCJTOR-UHFFFAOYSA-N 319.246 5.013 30 10 DKEE C=CCCCCC[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2341109246 CIYNGRFEWQZNDV-MRXNPFEDSA-N 300.273 5.390 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)ccc1[C@@H](C)NCC 2360372482 UDIBWXZQGSKXQM-CYBMUJFWSA-N 309.906 5.623 30 10 DKEE O[C@@H](CC#CC1CCCCC1)c1cc(F)c(Cl)cc1Cl 2377439283 KIUAVFDYUWJLRJ-INIZCTEOSA-N 315.215 5.140 30 10 DKEE CC(C)(C)c1cc(Cl)c(O)c(/N=C/C=C/c2ccccc2)c1 1924023 GBFJPLUKYFIKAV-WDECGGBJSA-N 313.828 5.759 30 10 DKEE N#Cc1ccccc1N[C@@H](c1ccco1)c1ccc(Cl)s1 37203057 QLMIIYJPFWWWGL-INIZCTEOSA-N 314.797 5.068 30 10 DKEE C=CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1 55161254 OXPUOKDPOMJNKA-UHFFFAOYSA-N 310.525 7.041 30 10 DKEE N#Cc1c(/N=C/c2ccc3ccccc3c2)sc2c1CCCC2 59459996 PAKABQSKKDHEGK-LPYMAVHISA-N 316.429 5.402 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2cccc(Cl)c2Cl)cc1C 61681854 QQIORYLIBLHYMI-AWEZNQCLSA-N 318.203 5.100 30 10 DKEE C=CCc1cc(C(C)(C)C)cc(C=O)c1OCCc1ccccc1 66117760 ANLIYIBCRANGBP-UHFFFAOYSA-N 322.448 5.147 30 10 DKEE CCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCC2 109097949 YYFONILWBZMFOA-UHFFFAOYSA-N 318.486 5.188 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)ccc1Cl 115062248 UOCMADYDGDXIOD-UHFFFAOYSA-N 301.257 6.317 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cccc(Cl)c1Cl 115652185 XIDSWTJFZHAAHL-MRXNPFEDSA-N 317.300 6.558 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(SC(F)(F)F)cc1 115652848 XNOHHMSTQNFXHE-HNNXBMFYSA-N 320.420 6.083 30 10 DKEE CCCCCCCCC[C@@H](CNCC)c1ccccc1Cl 118863834 LOCOKKFOYNLMNX-KRWDZBQOSA-N 309.925 6.174 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CSCCS1 122622071 KSTPRMHXDYLZNH-SJORKVTESA-N 318.592 5.507 30 10 DKEE Cc1c(Cl)cccc1Nc1cccc(Br)c1C#N 168449589 FNRSVKHHGSVOJQ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2 250877505 RDFUTLUEYRFDJM-JTDSTZFVSA-N 323.461 5.448 30 10 DKEE CCCCCCCCCOCC(C)(C)CNCc1ccccc1 303523655 PYPHMJKMLCUUEA-UHFFFAOYSA-N 319.533 5.570 30 10 DKEE CCCCCCC[C@H](O)c1c(Cl)cccc1Br 310248761 WUWLGAUPURUSRK-ZDUSSCGKSA-N 319.670 5.496 30 10 DKEE N#C[C@@H](CC1CCCCCC1)Nc1ccc(Br)cc1 394533870 MONAYJSKYVSZGI-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE N#C[C@H](CNc1ccccc1OCc1ccccc1)C1CCCC1 397204197 RQAWNJWVZJTFAN-LJQANCHMSA-N 320.436 5.007 30 10 DKEE Clc1ccc(C#Cc2ccc(Cl)c(Cl)c2)c(Cl)c1 1614731421 XCUFMIBGOFAPQC-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE CCCCCCCC[C@H](NCCC)c1nc(Cl)cs1 1887973535 WZOUTQRPFKAOOL-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE CCCCCCCC[S@](=N)(=O)c1cc(Cl)cc(Cl)c1 1917876716 SVXGLBNALFPIKK-IBGZPJMESA-N 322.301 5.760 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cc(C)ccc1C 1922093007 YMSYTUBGBSTIJD-QFIPXVFZSA-N 323.480 5.117 30 10 DKEE C=C(COCc1ccccc1)[C@@H](C[C@H](CC)C(C)(C)C)NCC 1922116487 QSPBVWGBBAWWFG-VQTJNVASSA-N 317.517 5.200 30 10 DKEE CC[C@@](C#N)(C1CCCCC1)N(C(=O)OC(C)(C)C)C1CCC1 1975999454 WSJJRRZAYWXCHP-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1sc(Br)cc1C 1978574766 GVVDQXSHQCCVIR-SNVBAGLBSA-N 322.699 5.002 30 10 DKEE C=C1CCC(C[C@]2(O)CCCC[C@@H]2OCc2ccccc2)CC1 1991157001 DCDCUPLLCMQXCI-LEWJYISDSA-N 314.469 5.013 30 10 DKEE C=CCCCCCCN[C@H]1C[C@H](OCc2ccccc2)C1(C)C 1995171408 OZXHOPOUUNINCE-PMACEKPBSA-N 315.501 5.096 30 10 DKEE C=CCCCC[C@H](NC)c1sc(CC)cc1Br 2009488386 YYYYNJVYNZEBRM-ZDUSSCGKSA-N 316.308 5.080 30 10 DKEE C=C(C)[C@H](NC)c1ccc(-c2cccc(Br)c2)s1 2045745574 CUMWZQPJOGUSKS-HNNXBMFYSA-N 322.271 5.014 30 10 DKEE CCC(C#N)(CC)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2045987584 BTXVBHZZPVJMEC-GFCCVEGCSA-N 306.620 5.010 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(Br)cc1 2050513111 MHOLGPALQVAYBT-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=C(C)CCC[C@H](NCCC)c1ccccc1Br 2050515632 OEXGJRDHVUEIDP-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=CC[C@@](C)(NCc1cc(Cl)c(Cl)s1)C(F)(F)F 2061763411 NDMBREAYWYUZTO-SNVBAGLBSA-N 318.191 5.042 30 10 DKEE C=C(CC)C[C@@H](N)c1ccc(-c2ccc(Br)cc2)o1 2107771952 YUAFXALFYZAZDK-CQSZACIVSA-N 320.230 5.065 30 10 DKEE CCCCCC#CCC[C@H](NC)c1ccccc1Br 2138993760 LHVYYLQXAHPBTF-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1nc(Cl)cs1 2141908317 MROPPZATGCVSCD-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1c(Cl)cccc1Cl 2147013549 NKAQUJGWBKEKSE-INIZCTEOSA-N 317.256 5.347 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc2sc(C)cc2s1 2158325933 ZZOUUVPTJNBAFG-YVEFUNNKSA-N 307.528 5.914 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1cc(Cl)ns1 2167195732 IVIBXOSUQIYFSD-AWEZNQCLSA-N 317.926 6.141 30 10 DKEE C=CC1(C[C@H](N)c2ccc(SC(F)(F)F)cc2)CCC1 2168031070 MILMPQMKTIIFJW-ZDUSSCGKSA-N 301.377 5.045 30 10 DKEE C#Cc1cccc(N(CC)Cc2cccc(Cl)c2Cl)c1 2179343446 DRCMKYDLDMJBEI-UHFFFAOYSA-N 304.220 5.001 30 10 DKEE C=CCCCC[C@H](NC)c1sc(C)c(C)c1Br 2215908684 LECXTRXHFDGCHP-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1cc(Cl)ccc1Cl)NCC 2225679177 NLXWOPOUKILQPV-LRDDRELGSA-N 300.273 5.116 30 10 DKEE C=C1CC([C@H](NCCC)c2ccc(Br)cc2CC)C1 2229184444 FEYGZCBNKYVCST-KRWDZBQOSA-N 322.290 5.018 30 10 DKEE C[C@H](Nc1ccc(F)c(C#N)c1)c1cc(Cl)cc(Cl)c1 2237995365 DDYALBCPONMHAB-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(C)CCCC[C@H](Cc1ccc(Cl)cc1Cl)NC 2271781324 NKXHMKAOKRGMNC-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE C=CCCCC[C@H](OCCCN)c1ccc(Cl)c(Cl)c1 2294420315 SIKATWWZCJVTNS-INIZCTEOSA-N 316.272 5.146 30 10 DKEE CCCCCCCCC[C@@](C)(O)C(=O)c1ccc(Cl)s1 2295595958 GBHCOWURYOEFPO-MRXNPFEDSA-N 316.894 5.476 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccc(Cl)cc2Cl)cc1C 2296876401 RGDOMSBXZFTVSA-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE CC(C)(C)[C@](C)(CS)COc1ccc(Cl)c(Cl)c1 2327164635 BSZWMCQZFIUATC-AWEZNQCLSA-N 307.286 5.354 30 10 DKEE CCCCCCC[C@H](NC)c1cc(F)c(Cl)c(Cl)c1 2352383187 LSMGCLVHRIPAKV-AWEZNQCLSA-N 306.252 5.754 30 10 DKEE C=CCC(CC=C)Sc1ccc(C[C@@H](N)CC)c(Cl)c1 2360206719 AUOSHWCVWSWTKJ-AWEZNQCLSA-N 309.906 5.233 30 10 DKEE C=C(C)COc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 20758168 NDFLBHLWJXWLDO-DBXWQHBBSA-N 317.432 5.468 30 10 DKEE Cc1cc(Oc2ccc(C(F)(F)F)cc2C#N)ccc1Cl 37334106 NNJUCCQUVDELMC-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE Cc1cc(OC[C@@H](CS)c2ccccc2)cc(C)c1Cl 94584459 ADCZFOOAOCZJQT-HNNXBMFYSA-N 306.858 5.049 30 10 DKEE CCCCCCCC1CCC(CCC2CCC(CC)CC2)CC1 100297203 YOVLTLZTIWGHLH-UHFFFAOYSA-N 320.605 8.150 30 10 DKEE CCCCCCCCCCNC(=O)/C=C/c1ccc(Cl)cc1 108832879 JUJDCIFAGNGULD-NTCAYCPXSA-N 321.892 5.610 30 10 DKEE CCCCCCC[C@H](NC(C)C)c1nc2c(s1)CCCC2 109690989 MIIYUKQLAMJLQM-INIZCTEOSA-N 308.535 5.422 30 10 DKEE CCCCCCCOc1c(Cl)cc(Cl)cc1C[C@H](C)N 110518741 PDDLSCIEBAWODZ-LBPRGKRZSA-N 318.288 5.232 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1 115062764 YTNJFZIWGSTAEU-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc2cc(Cl)ccc2o1 129299811 DUNDUUUHXNFWEH-MRXNPFEDSA-N 307.865 6.227 30 10 DKEE C=C(Br)CNCCCCCCCCCCCC 161427982 CYNOZZBPFYYQAO-UHFFFAOYSA-N 304.316 5.406 30 10 DKEE C=CCC[C@@H](NCCC)c1cccc(Br)c1Cl 167812494 QRUGRPHBFUFTDC-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE CCCCCCC[C@H](NCC)[C@H]1CCC[C@@H](C(F)(F)F)C1 232311884 CQTSWSUYQLVVEW-XHSDSOJGSA-N 307.444 5.694 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1cc(Cl)ccc1Cl 236060554 BPCHITVAWCEKAR-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 308057806 SIMUAOGXGWNMJN-RYUDHWBXSA-N 312.240 5.242 30 10 DKEE N#Cc1cc(Cl)nc(Sc2ccc(Cl)cc2Cl)c1 322539230 FGVHDNQCDCTNAG-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(Br)cc1Cl 393794952 OKNQPFOQTYFMKX-CMPLNLGQSA-N 316.670 5.108 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cccc(NC(=O)OC(C)(C)C)c1 407481019 MCAIYMMMRHJDRO-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CC(C)(C)C1=C/C(=C\C=C2C=CC(=O)C=C2)OC(C(C)(C)C)=C1 585660580 HYVYRCYFTPPHMT-LDADJPATSA-N 310.437 5.425 30 10 DKEE C[C@H](CC1CCCCC1)Nc1cc(Br)ccc1C#N 689809610 QWMHHOCUIGERMP-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccc(Cl)c(Cl)c1 704422101 FXRCUVNLFGBHMI-INIZCTEOSA-N 302.289 5.918 30 10 DKEE C=CCCCCC[C@@H](O)c1c(Cl)cccc1C(F)(F)F 712620763 XDBMDDBWBYIDGP-CYBMUJFWSA-N 306.755 5.529 30 10 DKEE CCCCCCCC[C@@H](O)C[C@@H](C)COCc1ccccc1 719444742 YHLBVYRIKBOHNV-UYAOXDASSA-N 306.490 5.341 30 10 DKEE CCCOc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)cc1 1874579507 RVPUXHZIGVUEAA-CSKARUKUSA-N 314.812 5.333 30 10 DKEE CCCCCCCC[S@](=N)(=O)c1cc(Cl)ccc1Cl 1917927375 OCVJLLKATIDEQO-IBGZPJMESA-N 322.301 5.760 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(C)CCCCC1 1922056461 XYALBOWWKYGKSE-HXUWFJFHSA-N 315.501 5.098 30 10 DKEE C=CC1(CC(=O)c2c(C)sc(C)c2Br)CCC1 2002620873 SEABQDHBSGTJCA-UHFFFAOYSA-N 313.260 5.057 30 10 DKEE CC[C@@](C#N)(Cc1ccc(Cl)c(Br)c1)C(C)C 2012417169 QPEGQUFPOLAUHC-AWEZNQCLSA-N 314.654 5.221 30 10 DKEE CCCCCCC[C@@]1(C)Nc2cc(Br)ccc2O1 2027857443 JTQRXLPRUCRLIQ-HNNXBMFYSA-N 312.251 5.330 30 10 DKEE C=CCC[C@@H](C)n1c(S)nc2ccc(Cl)c(Cl)c21 2048237937 JKRNGUYRRXABDY-MRVPVSSYSA-N 301.242 5.159 30 10 DKEE CCCCCCCCCN(C)Cc1ccc(Br)o1 2050719698 GNXXJWLMPBHXMP-UHFFFAOYSA-N 316.283 5.225 30 10 DKEE C=C[C@H](C)C[C@H](Cc1c(Cl)cccc1Cl)NCCC 2116655799 KCUARLBGKNJRIW-QWHCGFSZSA-N 300.273 5.116 30 10 DKEE CCSc1cccc(SC2CCC(F)(F)CC2)c1C#N 2144851446 AYVKEMYZRCTSST-UHFFFAOYSA-N 313.438 5.340 30 10 DKEE CN(CCCCCCCCCS)CC(F)(F)CC1CC1 2150345365 JORTUTPKKWJHAZ-UHFFFAOYSA-N 307.494 5.014 30 10 DKEE Cc1ccc(N[C@H]2CCCc3sc(Cl)cc32)cc1C#N 2199340716 LUUPVAUSOJWDGX-AWEZNQCLSA-N 302.830 5.071 30 10 DKEE C=CCCCCCCCCOc1nc(Br)cs1 2213519453 HGTGJHWFJSZGEF-UHFFFAOYSA-N 318.280 5.201 30 10 DKEE C=CCCCCCCCC(=O)c1csnc1Br 2214615864 SNKSTUBXXYPTEJ-UHFFFAOYSA-N 316.264 5.005 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl 2232422732 DOVVWSXFZKBWQL-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1ncc(Cl)s1 2237920320 APUSUDHSWMZYPN-ZDUSSCGKSA-N 317.930 5.222 30 10 DKEE C=C(CC)COc1c(Cl)cc(Cl)cc1CN[C@@H](C)CC 2240215675 SFTWSFNAQFGHJW-LBPRGKRZSA-N 316.272 5.227 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281534981 BADOPEYDFBBURL-NHYWBVRUSA-N 314.256 5.009 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@@H](N)CC=CC#CC(C)(C)C 2286498445 JDRZQLQXYKBNDA-INIZCTEOSA-N 310.268 5.297 30 10 DKEE C=CCC(CC=C)OCc1cccc(Cl)c1Br 2298827891 CYCGNZUSHGCYSQ-UHFFFAOYSA-N 315.638 5.140 30 10 DKEE CCC(=NOCCOc1ccc(C(C)C)cc1)c1ccccc1 2330246123 CFXXLJPGBLNEHH-UHFFFAOYSA-N 311.425 5.020 30 10 DKEE CCCCCCC=CCCCCCCCCCC(=O)OCC 2333269855 XZMSLYSQJNCDQH-UHFFFAOYSA-N 310.522 6.587 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Br)cc1CC 2344378487 GVUNHPGWPLHEHF-GUYCJALGSA-N 324.306 5.264 30 10 DKEE C=CCC(CC=C)[C@@H](CSc1ccc(Cl)cc1)NCC 2364086619 MSUJQVVKACOHBT-QGZVFWFLSA-N 309.906 5.179 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2370483413 TYKOCGFVANTHSL-JKSUJKDBSA-N 318.263 5.776 30 10 DKEE C=CC[C@@H](O)[C@@](CC=C)(c1ccccc1)c1ccc(Cl)cc1 6317518 PYLWLXGQIJJCNM-UXHICEINSA-N 312.840 5.139 30 10 DKEE Cc1cc(C)c([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)c(C)c1 14457675 GXXJBJRRCBHLIQ-JUXOCIIHSA-N 314.432 5.310 30 10 DKEE CCCCCCCCNc1cccc(-c2csc(C)n2)c1 59451528 LGRGZUYLTMRTRE-UHFFFAOYSA-N 302.487 5.891 30 10 DKEE CN(Cc1ccc(Cl)cc1)CC1(CS)CCCCCC1 94581331 BUJCAQDPEYJHKG-UHFFFAOYSA-N 311.922 5.042 30 10 DKEE CCCCCCCCCCCCCCC[C@@H]1OC[C@@H](CO)O1 100035315 SMZVDXMAZDUWPE-RTBURBONSA-N 314.510 5.202 30 10 DKEE CCCCCCCOc1ccc([C@@H](C)NCCC)c(Cl)c1 112735241 CROPDWUJXXPQGS-OAHLLOKOSA-N 311.897 5.750 30 10 DKEE CCCc1ccc(Oc2cc(Br)ccc2C#N)cc1 123494003 ASKURJWGBBVKGN-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Cl)c2ccccc12 127318532 RSZPVTXTSSHFPR-IBGZPJMESA-N 304.861 6.277 30 10 DKEE C=C1CC[C@@H]2C[C@H]1[C@H](c1ccc(C)cc1)O[C@@]2(C)CC=C(C)C 136546542 WKGNFUTUIDWFSK-CZYKHXBRSA-N 310.481 6.154 30 10 DKEE C=CCCCCCC/C=C/C=C\[C@H](C)NC(=O)OC(C)(C)C 212383522 UXKALWRJRKKTTH-AVCRFOEUSA-N 307.478 5.539 30 10 DKEE CCCCCCCCNc1nc(NC)c(Cl)cc1Cl 226607985 SIYWTWVHZLLGPS-UHFFFAOYSA-N 304.265 5.203 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccccc1Br 233546132 YLTAPNDFTIZSNF-INIZCTEOSA-N 310.279 5.236 30 10 DKEE Cc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 254835344 HIGUNDFMCVHYBH-UHFFFAOYSA-N 301.389 5.325 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 306553356 BFAGPDSYSXGBQW-FCHUYYIVSA-N 318.464 5.161 30 10 DKEE N#Cc1ccc(Cl)cc1Sc1cc(Cl)cc(Cl)c1 311023690 VLNVMIBVWKIWQK-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE Cc1cc(Cl)c(N=C2N[C@@H](C(C)(C)C)CS2)cc1Cl 393993674 VWRQLEJBQPXPFO-GFCCVEGCSA-N 317.285 5.040 30 10 DKEE CCCCCCCCCCCC[C@@H](O)COCc1ccccc1 395515766 WVVOHJKLCMEYHO-OAQYLSRUSA-N 320.517 5.875 30 10 DKEE C=C(C)CCOC[C@H](NCCC)c1ccc(Cl)cc1Cl 709520661 VDUDQXRXZBFNRV-INIZCTEOSA-N 316.272 5.017 30 10 DKEE Cc1ccccc1NN=Cc1cccc(Oc2ccccc2)c1 1084355631 RBVSNNMDMQDOBG-UHFFFAOYSA-N 302.377 5.233 30 10 DKEE CCCCCCCCCCn1c(C)cc(OCCCC)cc1=O 1860785506 VYNDVTXQZDFIJB-UHFFFAOYSA-N 321.505 5.476 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C1(CO)CCC1 1915641860 RCJZYDSISMTUFE-UHFFFAOYSA-N 317.517 5.154 30 10 DKEE CC[C@](C#N)(Cc1cc(Cl)cc(Br)c1)C(C)C 2012417482 UBZHBODVYDWGJQ-CQSZACIVSA-N 314.654 5.221 30 10 DKEE C#Cc1cc(C(C)C)nn1[C@@H](CC)c1ccccc1C(F)(F)F 2070094017 DQSDKQDHKRPSQI-KRWDZBQOSA-N 320.358 5.006 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(C)ccc1Br 2102111696 OFQZERIVDJCRHQ-RHSMWYFYSA-N 324.306 5.401 30 10 DKEE CCCCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1OC 2139382373 RQRBTUHMZWWHOZ-CYBMUJFWSA-N 305.245 5.396 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1F 2151939682 FKOQVSKUQDXUAY-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1c(F)ccc(Cl)c1F 2164212795 QSHQRQJIOZRKOI-BZNIZROVSA-N 301.808 5.261 30 10 DKEE CCCCCCCCCC[C@@H](N)c1nccc(Cl)c1F 2164491891 JHBJGMPHDQVIFL-CQSZACIVSA-N 300.849 5.405 30 10 DKEE CC1(C)CCCC[C@@]1(C=O)Cc1cc(C(F)(F)F)cs1 2173655652 NMYLMFOLJAHNHR-AWEZNQCLSA-N 304.377 5.095 30 10 DKEE C=CC1(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCCCC1 2178140102 ODIZNZMVNXMSRN-UHFFFAOYSA-N 315.200 5.202 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cc3sccc3s2)CC1 2181638428 JFNVCGDZLOFCMN-GFCCVEGCSA-N 304.480 5.918 30 10 DKEE C=CCCCCCCCCOc1cccc(Br)n1 2218648570 MRJHEYDPJIUXDY-UHFFFAOYSA-N 312.251 5.140 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2228029017 YZIQZKQEFDLNHR-GFCCVEGCSA-N 312.162 5.152 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)ccc1Cl 2231924241 PWBPSNUXPSRGHU-ZDUSSCGKSA-N 302.289 6.544 30 10 DKEE C=CCCCCCCCC(=O)Cc1ccc(Cl)c(Cl)c1 2235526725 NYNKHBDOUZZDHF-UHFFFAOYSA-N 313.268 6.022 30 10 DKEE C=CCC[C@H](C)c1cc(Br)cc(OC(F)(F)F)c1 2260198791 SXXVHQJTRCIWFK-VIFPVBQESA-N 323.152 5.417 30 10 DKEE CCCCCCCCC[C@@H](C)NCCc1ccc(Cl)s1 2295670516 GMYCONLUMHJORR-OAHLLOKOSA-N 315.954 6.063 30 10 DKEE C=CCC(CC=C)C(=O)c1cc(C)c(Br)c(C)c1 2316675948 FUQCNNGDJLKBDF-UHFFFAOYSA-N 307.231 5.017 30 10 DKEE C=CC1(Cc2c(C)c(C)c(Br)c(C)c2C)CCC1 2322453358 JLDQESWSPIHZLI-UHFFFAOYSA-N 307.275 5.582 30 10 DKEE C=CCC(CC=C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2364079778 FUAWJNXEBNALNM-QGZVFWFLSA-N 312.284 5.282 30 10 DKEE CCCC1CCC(C2CCC(Br)(C#N)CC2)CC1 5308117 ZOMGUVBQQWEHHB-UHFFFAOYSA-N 312.295 5.440 30 10 DKEE CCN(CC)c1ccc(/C=N/c2ccc3ccccc3c2)cc1 39212222 IAXJDLBYKGWARD-CJLVFECKSA-N 302.421 5.437 30 10 DKEE CCCCCCC[C@@H](C)Nc1cccc(OC(F)(F)F)c1 59089996 QCBMRMHVWKYEEW-CYBMUJFWSA-N 303.368 5.746 30 10 DKEE C(=C/c1ccccc1)\C(/C=C/c1ccccc1)=NNc1ccccc1 59514071 ADLATSFXARVWCP-YWNVXTCZSA-N 324.427 5.881 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 83194127 JKECQEYZPNBGAT-NTEUORMPSA-N 320.432 5.250 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OCCCCCCS 94584400 JQLJXFBWBYVWLO-UHFFFAOYSA-N 300.895 5.641 30 10 DKEE Fc1ccc(SCC2(CS)CCCCCC2)c(F)c1 94588921 DLXMPCIJXHXBKC-UHFFFAOYSA-N 302.455 5.327 30 10 DKEE CCCC(CS)(CCC)CSc1ccc([N+](=O)[O-])cc1 94588958 JNFWYMJTLYTLIX-UHFFFAOYSA-N 313.488 5.203 30 10 DKEE CCCCCCCCCC(=O)c1cccc(C(F)(F)F)c1 109708349 PIVVLIKVGVSYEU-UHFFFAOYSA-N 300.364 6.029 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(Br)o1 114873548 UWNMRQIOPASUHT-CYBMUJFWSA-N 317.267 5.606 30 10 DKEE CCCCCCCCC(=O)c1cc(Br)sc1C 115220480 UKZVXFFAXDVTCG-UHFFFAOYSA-N 317.292 5.752 30 10 DKEE CCCCCCCCCCCCO[C@@H]1C=CC(=O)[C@@H](CCC)O1 137028980 LALSNNOSDGXQEX-UXHICEINSA-N 324.505 5.574 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Cl)ccc1Cl 233607467 JZKDTVSLYJCPMP-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE O=[N+]([O-])c1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 252460634 GYZVQGLUUUNHAT-UHFFFAOYSA-N 317.348 5.089 30 10 DKEE CC(C)C1CCC(C=O)(CCCOCc2ccccc2)CC1 317437985 IRBHPWQGJAORQZ-UHFFFAOYSA-N 302.458 5.015 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)cc2Cl)C1 322547421 USHMJINBBCMIIS-ZETOZRRWSA-N 314.281 5.804 30 10 DKEE CC(C)C[C@@H](C)[C@H](C#N)Sc1ccccc1Br 380070072 QARCTJATGCFIRV-RISCZKNCSA-N 312.276 5.116 30 10 DKEE CCCCCCCCC[C@H](O)c1ncsc1Br 698554815 XPCJHNSUSBLUMG-NSHDSACASA-N 320.296 5.080 30 10 DKEE Fc1cccc(C#Cc2cc(C(F)(F)F)ccc2Cl)c1F 1614826703 MMMCVGXVLFBDNX-UHFFFAOYSA-N 316.656 5.037 30 10 DKEE CCCCCCCCC(=O)N1CCC(c2ccccc2F)CC1 1866357115 IMANXQYRUZMXCJ-UHFFFAOYSA-N 319.464 5.282 30 10 DKEE CC(C)[C@@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1901677491 OIWOPEIMRTYHIB-DNVCBOLYSA-N 316.445 5.002 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1ccc(OCc2ccccc2)cc1 1975926394 LEARDYGUEXHFMM-LAUBAEHRSA-N 309.453 5.128 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(Br)c(C)s1 2000304003 WJVFVXIIJCNHLF-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE N#Cc1ccc(Cl)c(NCc2cc(Cl)c(Cl)s2)c1 2037473315 RNJANCZMGGARJL-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE FC(F)c1c(C(F)(F)F)ccc(Cl)c1OC(F)(F)F 2054963125 SZCRMFOHOWKYQA-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(Br)ccc1C 2059111434 KLKUXFQIGMAAEH-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](C)c1ccccc1C1CC1 2070166230 ZCNDWRORSNXUOD-INIZCTEOSA-N 312.416 5.018 30 10 DKEE CCCCCC#CC[C@](C)(N)c1cc(Cl)sc1Cl 2083440317 RNMFNMSQSLIGHB-AWEZNQCLSA-N 304.286 5.203 30 10 DKEE Cc1ccc(C(=O)C2=CCCCCCC2)c(C)c1Br 2107742499 MZZKXOUSYNYYAB-UHFFFAOYSA-N 321.258 5.529 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc(Cl)ns1 2110891497 OTINZGFDMIWAFS-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H](O)c1ccsc1Cl 2148600622 LMDVOMAAGQRJTC-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc(OC(F)(F)F)c(Cl)c1 2163367994 GEDNMEMODJBSEG-VIFPVBQESA-N 306.711 5.024 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(F)c(Cl)c1F 2164166336 SFTWWIABLWHADR-CQSZACIVSA-N 301.808 5.405 30 10 DKEE Cc1ccc(CNc2c(C)cc(Cl)cc2Cl)cc1C#N 2201073084 YEJWPYHPFUKHDF-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CCCCCCCC[C@H](NN)c1c(Cl)ccc(Cl)c1F 2204412878 RSGOSFKFKZEVOC-ZDUSSCGKSA-N 321.267 5.388 30 10 DKEE CCCCCCC[C@](C)(O)C(=O)c1c(Cl)cccc1Cl 2205708072 CFGAYFIGRBPHDS-INIZCTEOSA-N 317.256 5.288 30 10 DKEE C=CCCCCCCCCC(=O)c1sc(OC)nc1Cl 2207375866 CTTVMXCUHSROPD-UHFFFAOYSA-N 315.866 5.295 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1cc(C)c(Cl)s1 2207434557 GBYSJLTYBJEIOZ-HNNXBMFYSA-N 313.938 6.407 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1csc(Cl)c1 2207451460 XNFZCNMZULZFMV-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCCOC[C@H](NCc1ccccc1)C(C)C 2211145003 ICWKEJQQAQSPPG-NRFANRHFSA-N 317.517 5.344 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Cl)cc1Cl 2227283949 PMHGFCOPOBMTHF-MRXNPFEDSA-N 300.273 5.910 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c([C@H](C)O)s1 2239487576 RLUDZFQBLZZGCW-LBPRGKRZSA-N 319.898 5.369 30 10 DKEE CCN[C@@H](C#Cc1cccc(Cl)c1)c1cc(C)c(Cl)s1 2239562405 NCBNFWYVLXHHPP-AWEZNQCLSA-N 324.276 5.066 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(C)c(Cl)cc1F 2240619421 GTRZJCWLSKSXRS-KRWDZBQOSA-N 300.845 5.746 30 10 DKEE C=CCCC[C@@H](NCC)c1scc(Br)c1Cl 2242656576 OIZQPELISIRGJK-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(C)c(Br)o1 2259196921 QYIBGOZNKPXADN-ZDUSSCGKSA-N 314.267 5.138 30 10 DKEE C=CCCCCCCCSc1c(Cl)cc(N)cc1Cl 2271585171 LDCQMZWRKKCRKN-UHFFFAOYSA-N 318.313 6.194 30 10 DKEE C#CC[C@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286474501 RKHKYSXQOFCDRD-SJCJKPOMSA-N 312.284 5.392 30 10 DKEE CCCCCCCCC[C@](C)(O)C(=O)c1cc(Cl)cs1 2295597034 QGCLMLVHPMIMIA-INIZCTEOSA-N 316.894 5.476 30 10 DKEE CCCCCCCCC[C@@H](C)NCCSCC(F)(F)F 2295685494 YAHQACQHOUCSAB-CQSZACIVSA-N 313.473 5.401 30 10 DKEE CC(C)c1ccc(C=CC(=O)c2nc3ccccc3s2)cc1 2297476535 DAKVMFSKZCZQGA-UHFFFAOYSA-N 307.418 5.316 30 10 DKEE Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(Cl)c(Cl)c1)O2 2314519196 CVOZFIWYYHVRJA-UHFFFAOYSA-N 319.187 5.226 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccccc1Br 2321098273 INUOVVBTVBGAJQ-HZPDHXFCSA-N 310.279 5.092 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1ccc(Br)cc1C 2321105737 RYBJOYGESVPGCV-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2339006549 GVPSTKJEUQDWFB-ZBEGNZNMSA-N 300.273 5.555 30 10 DKEE O=C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCCSC1 2341148727 WERFISNLHVYSAY-OAHLLOKOSA-N 317.281 5.028 30 10 DKEE N#CCCCCCOCCCc1cc(Cl)cc(Cl)c1 2341220414 RBGSLIKKTMPHHX-UHFFFAOYSA-N 300.229 5.027 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(Cl)ccc1Cl 2344343553 OTKYDPCPPCHJED-CVEARBPZSA-N 300.273 5.636 30 10 DKEE C[C@H]1CCC[C@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2349905599 DKNUZSCGYQFLOX-ZUZCIYMTSA-N 303.204 5.070 30 10 DKEE C[C@@H]1CCCC[C@@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2349905850 GYSAKKCPDRKHIL-BMIGLBTASA-N 303.204 5.070 30 10 DKEE C=CC[C@H](CNC1CCC1)Cc1ccc(Cl)c(Cl)c1C 2364222428 HUHPJULEEOQHQW-ZDUSSCGKSA-N 312.284 5.179 30 10 DKEE C=C1CC(C[C@@H](CCc2cc(Cl)cc(Cl)c2)NCC)C1 2366808320 VJUFDOJXRKOQJO-QGZVFWFLSA-N 312.284 5.260 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1c(Cl)ccc(Cl)c1F 2370488697 YJIOCMOYJRCXFU-CVEARBPZSA-N 318.263 5.776 30 10 DKEE O[C@H](CC#CC1CCCCC1)c1cc(F)c(Cl)cc1Cl 2377439284 KIUAVFDYUWJLRJ-MRXNPFEDSA-N 315.215 5.140 30 10 DKEE C=CCN(CCNc1cccc2ccccc12)C1CCCCC1 1664967 SHZGDOLYYSIFCR-UHFFFAOYSA-N 308.469 5.072 30 10 DKEE C=CCOc1ccc2ccccc2c1CN[C@H]1CCC[C@@H](C)C1 66117350 SRXLZTZSYUOBAW-AEFFLSMTSA-N 309.453 5.073 30 10 DKEE CCCC[C@@H](CC)[C@H](O)C#Cc1ccc(Oc2ccccc2)cc1 95633818 MYBRFJOSSRAOHK-DENIHFKCSA-N 322.448 5.408 30 10 DKEE CCCCCCCC[C@H](Cc1ccccc1Cl)NCCC 109732729 MTYQEXFCJSQZBS-GOSISDBHSA-N 309.925 6.001 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccc(Cl)c(C)c1 162339953 XPPUEJLHFGBAFT-LJQANCHMSA-N 309.925 6.440 30 10 DKEE COc1ccc(/N=C/C=C(c2ccccc2)c2ccccc2)cc1 196206419 WNBYLPAVRHSLOD-HAVVHWLPSA-N 313.400 5.529 30 10 DKEE Cc1ccsc1/C=C\C(=O)c1ccc(-c2ccccc2)cc1 212547358 LQIVBKISBGGESP-QXMHVHEDSA-N 304.414 5.620 30 10 DKEE Cc1cccc(C#N)c1Oc1cc(Br)ccc1Cl 221149881 FRFRSWZRMNTVPU-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCC(=O)Nc1ccc(N=Cc2ccc(C(C)C)cc2)cc1 252460127 BXCGSESLEFRMAW-UHFFFAOYSA-N 308.425 5.299 30 10 DKEE Cc1cc(C#N)cc(N[C@H](C)c2cc(Cl)sc2Cl)c1 308120321 GIBGNEUMZCJKAO-SECBINFHSA-N 311.237 5.408 30 10 DKEE C[C@@H](CN(C)CCCCCCCCCS)CC(F)(F)F 402511813 JHBZFDQBZRDTFB-CQSZACIVSA-N 313.473 5.167 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC12CCCCC2 698396911 HXFIFMUBGSDHFM-IBGZPJMESA-N 320.477 5.029 30 10 DKEE FC(F)c1csc2c(C(F)(F)F)ccc(C(F)(F)F)c12 725324895 YUCSBJLHVYUWPJ-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE Oc1ccc2ccccc2c1C=Nc1c(O)ccc2ccccc12 1088705317 FYYUWYMUVXQFKN-UHFFFAOYSA-N 313.356 5.155 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](N)c1ccc(Cl)cc1Cl 1920346921 LETSMHUSUGNHAN-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE C=C([C@@H](NC)c1cc(C(F)(F)F)ccc1Cl)[Si](C)(C)C 1923038579 CDWDYLSFZCEGAA-CYBMUJFWSA-N 321.846 5.053 30 10 DKEE C=CCCCCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1F 1984510678 NKLNTYRUSLZZQK-UHFFFAOYSA-N 321.392 5.102 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc(Br)c(Cl)c1F 2000296798 XSZIJUOUINDKJH-QMMMGPOBSA-N 319.601 5.027 30 10 DKEE C=CCCCCC(=O)c1ccc(Cl)c(Br)c1F 2009489302 ITPNFDVRYMEDHC-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE C=CCCC[C@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2103488796 INGFWSIYVRKZDR-VIFPVBQESA-N 303.189 5.058 30 10 DKEE FC(F)(F)c1cccc(SC[C@@H](CS)CC2CC2)c1 2112864762 VDUINAXEBORBKZ-LLVKDONJSA-N 306.418 5.144 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2138636296 ZYKWIYUKGZDNLW-CYBMUJFWSA-N 302.245 5.009 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CC(C)(C)SC 2154628094 BCNJWSLFDNRJKE-QGZVFWFLSA-N 301.584 6.156 30 10 DKEE CCCSc1ccccc1N=C1NC(CC)(CC)CS1 2158458328 DRRZJHOTVUSUPK-UHFFFAOYSA-N 308.516 5.071 30 10 DKEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1cccc(Cl)c1 2184459744 IENFBPOYEUERON-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCN[C@@H](C)c1cc(Cl)cc(Cl)c1 2229667870 MQIBGXRBWKUWBN-ZDUSSCGKSA-N 302.289 6.005 30 10 DKEE Cc1cc(Cl)cc(OCCCCCCCCCS)c1 2231285029 PLAVMJSDYCBBKL-UHFFFAOYSA-N 300.895 5.688 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1cccc(Cl)c1Cl 2231540511 YRDBXYPTXADOMU-WBMJQRKESA-N 300.273 5.116 30 10 DKEE Cc1cccc(N[C@@H](C)c2cc(Cl)cc(Cl)c2)c1C#N 2237998729 SGICFWQSDYYZRN-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CCC[C@H](C)C(=O)c1cc(Br)c(F)cc1Cl 2249414002 OUDCYUQEOMWVIO-QMMMGPOBSA-N 319.601 5.027 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2269338616 CNKBRKWRUWGJOG-MRXNPFEDSA-N 300.273 5.699 30 10 DKEE COc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2293039559 MNESAXRIWTZNSF-UHFFFAOYSA-N 314.384 5.258 30 10 DKEE CCCCCOc1ccc(C(=O)C=Cc2cccs2)cc1 2295967842 BWXKZRKYTWVXJL-UHFFFAOYSA-N 300.423 5.213 30 10 DKEE C=CCCC[C@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2364006924 LNQFQPSEAVZVST-OAHLLOKOSA-N 314.300 5.569 30 10 DKEE Cc1c(CN(CCC#N)CC(C)(C)C)ccc(Cl)c1Cl 2364021932 KVRJLZNZUONKDC-UHFFFAOYSA-N 313.272 5.064 30 10 DKEE Cc1c([C@@H](C#N)NC2CCCCCC2)ccc(Cl)c1Cl 2366021178 CEKGZMXVYYMFHQ-OAHLLOKOSA-N 311.256 5.179 30 10 DKEE C/C(=C/c1cccc(Cl)c1Cl)C(=O)c1ccc(F)cc1 8554077 PEWKGOOVAGSPEW-KTKRTIGZSA-N 309.167 5.419 30 10 DKEE N#Cc1cnc2ccccc2c1Nc1ccc(Cl)cc1Cl 13862195 GXGCJOVOUDBDDY-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCCNc1ccc(OC)c(OC(F)F)c1 59462173 CXRRUEZVZSZCIB-UHFFFAOYSA-N 301.377 5.069 30 10 DKEE O=C(c1ccccc1)c1ccc(/N=C/c2ccccc2Cl)cc1 59518577 CSBDMFCWYBTDGV-HYARGMPZSA-N 319.791 5.322 30 10 DKEE N/C(=N\c1cc(Cl)c(Cl)cc1Cl)C1CCCCC1 62988622 NTJFNWMGYHSWNF-UHFFFAOYSA-N 305.636 5.216 30 10 DKEE CCCCCC[C@](C)(O)C#Cc1ccc(Oc2ccccc2)cc1 95633839 FHJRIOGZGBUZDY-QFIPXVFZSA-N 322.448 5.552 30 10 DKEE SCCCCCCCCCOc1cc(Cl)ccc1Cl 97799640 NKPIFDNKSXGECW-UHFFFAOYSA-N 321.313 6.033 30 10 DKEE CCCCCCCCCn1cc(CNC)c2cc(F)ccc21 107019953 PEQLLHWEVCJZTC-UHFFFAOYSA-N 304.453 5.250 30 10 DKEE CCCCCCCCCCNc1cccc(C(F)(F)F)c1 110154658 STBAXYIWPGWUAV-UHFFFAOYSA-N 301.396 6.258 30 10 DKEE CCCCCCCC[C@H](O)c1cc(C)c(Br)s1 126162068 MWCSICXFNONYLL-LBPRGKRZSA-N 319.308 5.603 30 10 DKEE CCCCCCCCC[C@@H](O)C(C(F)(F)F)C(F)(F)F 232941499 HFLREQHJWYVOHZ-SNVBAGLBSA-N 308.306 5.229 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)ccc1Br 232960659 XCTXIPNZMZNRNJ-AWEZNQCLSA-N 318.686 5.463 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1cccc(Cl)c1Cl 235516734 XZRXKZHIFJADPA-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CCCCCC[C@H](O)c1cc(Cl)cc(Br)c1 236537323 ZNYAMMVIPBPIEQ-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE C[C@@H]1CCC[C@@](C#N)([C@H](C)c2ccc(Br)cc2)C1 310805227 ZJIKWJRJMSQMGS-XJKCOSOUSA-N 306.247 5.273 30 10 DKEE Cc1cccc(C#N)c1Oc1ccc(Br)c(Cl)c1 313512465 UDNBTQHTZDTKLY-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Br)oc1C 396466250 LOTFKJGYBGDAAM-CYBMUJFWSA-N 303.240 5.135 30 10 DKEE Cc1c(Cl)cc(Nc2ccc(Cl)cc2C#N)cc1Cl 690247505 ODAHUZAXEMWHEZ-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCC(C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCCCC1 698868556 QKYUAEGPKBBLLT-UHFFFAOYSA-N 308.466 5.029 30 10 DKEE CCCCCCCN[C@@H](CC)c1ccc(Cl)cc1Cl 703709794 ZNECLYFVHOTNDT-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CCCCCCCN[C@@H](C)c1cc(Br)ccc1F 703772064 RPBMBMLYJOBSTI-LBPRGKRZSA-N 316.258 5.209 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)CC1(CS)CC(C)(C)C1 1892895391 DEBOOODUDBOUGL-INIZCTEOSA-N 305.531 5.023 30 10 DKEE CC(=O)C(C)=Cc1ccc(-c2cccc(Br)c2)s1 1911532279 KQHHLRYHYWCAKP-UHFFFAOYSA-N 321.239 5.170 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)c1c(C)cccc1C 1922061110 WLABWPMKMAJJIX-QFIPXVFZSA-N 323.480 5.117 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C1CCCC1 1990793342 GJBXPHRKDJONAM-UHFFFAOYSA-N 315.545 6.572 30 10 DKEE C=CCCCCCCCCNCCCN(C)Cc1ccccc1 1995329268 ZDQJVMHMVFHGRS-UHFFFAOYSA-N 316.533 5.015 30 10 DKEE C=C(CC)C[C@@H](NCC)c1c(Cl)cccc1Br 2000327373 QPWAEQYZPOEFAV-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=CCC[C@H](N)c1ccc(-c2ccc(Br)cc2)s1 2045616563 AWMGHAMXVHZZFA-ZDUSSCGKSA-N 322.271 5.144 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)cc2Br)CCCC12CC2 2053369756 BDIMDASEYIQBDX-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cccc(C)c2Br)CC1 2061177088 FUWCNWWZIGRULX-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE N#C[C@H](c1ccc(Br)cc1)[C@H]1CCC2(CCCC2)C1 2098997255 DKBGHAUDJOJOCG-GOEBONIOSA-N 318.258 5.417 30 10 DKEE C=CCCCCCC[S@@](=N)(=O)c1c(Cl)cccc1Cl 2141922812 JKCQHOGBZZGXAD-LJQANCHMSA-N 320.285 5.536 30 10 DKEE C=CC[C@@H](C)[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164169185 SHVPIRBUCMUJGJ-PXAZEXFGSA-N 305.874 5.541 30 10 DKEE C[C@@]1(P(C)(C)=O)CCCN1CCCCCCCCCS 2181600818 GMDHUNUGKKKILR-MRXNPFEDSA-N 319.495 5.082 30 10 DKEE CC1(C)CCC[C@@H](COCCCCCCCCCS)O1 2185573801 GGUWBMZXKDQPNK-INIZCTEOSA-N 302.524 5.011 30 10 DKEE C=CCCCCCCCC[C@@H](C[C@@H](C)P(C)(C)=O)NC 2207439422 WMSUMMPVPCDPLF-SJORKVTESA-N 301.455 5.283 30 10 DKEE C=CC[C@@H](C=C)OCc1c(Br)sc2ccccc12 2217956110 HZWAZKHKUJFDRD-LLVKDONJSA-N 323.255 5.311 30 10 DKEE CC(C)(C)C#CC=CCc1ccc(Cl)cc1Br 2248458590 ODYIPQJOKAZEAU-UHFFFAOYSA-N 311.650 5.251 30 10 DKEE CCCCCCCCC[C@@H](C)NCC/C=C/Br 2252957777 RCSAQLVKSKXESQ-NRMKIYEFSA-N 304.316 5.404 30 10 DKEE C=C(F)C[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2254717027 JLHIGQVQWRPTTE-HNNXBMFYSA-N 314.242 5.096 30 10 DKEE C=C(C)CCCC[C@@](O)(CC)c1cccc(Br)c1 2259209875 QCBSIHSWIUDAJM-INIZCTEOSA-N 311.263 5.183 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cccc(C)c1Br 2271783984 AHNSLFVKBAYNNV-INIZCTEOSA-N 324.306 5.545 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2323395651 RQRHYKKGEHJPBG-UHFFFAOYSA-N 314.384 5.301 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)c(F)cc1CNC(C)C 2337272511 JXDSZZJWRMFVKO-LLVKDONJSA-N 301.858 5.034 30 10 DKEE C=C(Br)CCOC[C@H](c1ccccc1)C1CCCC1 2342597313 XZSVBQLWJZVNCZ-QGZVFWFLSA-N 323.274 5.276 30 10 DKEE C=C(C)CCCCN[C@H](C)c1ccc(Cl)c(C)c1Cl 2353018043 HHGMQXPALJTQGC-CYBMUJFWSA-N 300.273 5.699 30 10 DKEE C=CCC(CC=C)Oc1cc(Cl)sc1CN[C@H](C)CC 2360214284 GZHDVGVHDWKDQU-GFCCVEGCSA-N 313.894 5.189 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)/C(=N/C(=O)c1cccc3ccccc13)C2 6394783 NJAUAVBOKXJGQK-OWHUTSCVSA-N 305.421 5.267 30 10 DKEE CC(C)c1ccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)cc1 14462606 KPGTYSGPBBTJDK-JQVVWYNYSA-N 314.432 5.508 30 10 DKEE CC(C)(C#N)c1ccc(NCc2c(Cl)cccc2Cl)cc1 36922239 IBKBCIOGYHOGGK-UHFFFAOYSA-N 319.235 5.407 30 10 DKEE CC[C@H](C)c1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1 59248175 ZKDLPQWKZKRDLR-WXUSHSQQSA-N 304.437 5.751 30 10 DKEE Clc1ccc(Cl)c(/N=C2/N[C@H](c3ccccc3)CS2)c1 63001157 JGSKBWXMQLORQC-AWEZNQCLSA-N 323.248 5.059 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCC[C@H](C(C)C)CC1 86944000 ZTIVFGHHBXDAAC-DLBZAZTESA-N 303.515 5.982 30 10 DKEE Cc1cc(C#N)cc(C)c1OCc1ccc(Cl)cc1Cl 88154466 VRBYQHGOHBATKQ-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C[C@H]1C[C@H](OCCCCCCCCCS)CC(C)(C)C1 97799733 PGNNINBFWVGYFD-IRXDYDNUSA-N 300.552 5.878 30 10 DKEE CCCCCCCCCn1c([C@@H](C)O)nc2cc(C)c(C)cc21 102247500 QQFXKXZDMXQRDM-QGZVFWFLSA-N 316.489 5.457 30 10 DKEE CCCCCCCCCOc1ccc(C(=O)OC)cc1OCC 104742241 CCMKEPCIRUPPNW-UHFFFAOYSA-N 322.445 5.001 30 10 DKEE CC(C)(C#N)CCCN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 180067406 XTOIRYQYVYBZDU-INIZCTEOSA-N 324.390 5.076 30 10 DKEE N#Cc1cc(NCc2cc(Cl)ccc2Cl)ccc1Cl 236054630 FEUOTHQWNMBWDG-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1Cl 313691227 QZXAXBBFKIFMMK-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(OC)cc1N 322219163 WPPLXJGZRNJNGQ-UHFFFAOYSA-N 320.477 5.137 30 10 DKEE CCC(C)(C)C1CCC(/N=C(/O)C[C@H]2CCCCN=C2O)CC1 328789223 PVXXRUICSFOCMC-QQFBHYJXSA-N 322.493 5.085 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)cc1Cl 379908177 MWETXORLEKMNJN-INIZCTEOSA-N 312.284 5.474 30 10 DKEE CCCCCCCCCNc1cc(F)cc(Br)c1 387257331 KZAHBDIUHYNGSE-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE C=CC[C@H](CC)N[C@H](C)c1cc2cc(Br)ccc2o1 393773771 VWJRSIZZCGFNFY-RISCZKNCSA-N 322.246 5.201 30 10 DKEE C[C@@H](CC1CCCCC1)Nc1cc(Br)ccc1C#N 689809612 QWMHHOCUIGERMP-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CCOc1ccc(/C(CC)=N/OCc2ccccc2Cl)cc1 821221372 UKXMUPSUYFGLMV-CZIZESTLSA-N 317.816 5.070 30 10 DKEE CCSc1ccc(/C(CC)=N/OCc2ccc(C#N)cc2)cc1 821227499 UHKVWPGHDNIXDG-XUTLUUPISA-N 324.449 5.001 30 10 DKEE Oc1ccc(C=Nc2cc(Cl)c(Cl)cc2Cl)cc1 1084268750 AHBCGKKMAAAXOL-UHFFFAOYSA-N 300.572 5.103 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1c(F)cccc1Cl 1892438946 HTOWSUBIUYUSOY-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=CCCCCCCCCSC(=N)NCc1ccccc1 1906906884 ACTZBUBTTUECHO-UHFFFAOYSA-N 304.503 5.361 30 10 DKEE CC1(C)OB(C=CC(c2ccccc2)c2ccccc2)OC1(C)C 1911712305 PTXGQKBKCHXSEM-UHFFFAOYSA-N 320.241 5.006 30 10 DKEE Cc1cc(C#N)ccc1N(Cc1ccccc1)Cc1cccs1 1915431392 FZIPYMJNCGVKDX-UHFFFAOYSA-N 318.445 5.135 30 10 DKEE CCCCCCC[C@@](C)(O)C(=O)c1ccc(Cl)c(Cl)c1 1919407190 IMONSHOVBCSVFJ-MRXNPFEDSA-N 317.256 5.288 30 10 DKEE CCCCCCCCCC(=O)[C@@](C)(O)c1ccc(Cl)s1 1919421373 DVZTXAQDZXSCIB-MRXNPFEDSA-N 316.894 5.319 30 10 DKEE CCCCCCCC[C@]1(N)C[C@@H](CC)N(Cc2ccccc2)C1 1920208564 UVNLUPZVTUACQE-RTWAWAEBSA-N 316.533 5.119 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(C#N)c(F)c1)C(C)(C)C 1946839954 SQTPMKKLZGLJDI-MRXNPFEDSA-N 324.443 5.134 30 10 DKEE C#C[C@@H](c1ccccc1)N(Cc1ccccc1)CC1CCCC1 1990746795 CCDCLABFFBSDJK-QFIPXVFZSA-N 303.449 5.053 30 10 DKEE CCCC[C@@](C)(C#N)Cc1cc(Cl)ccc1Br 2000511930 FTSBGABRNXXSOP-CQSZACIVSA-N 314.654 5.365 30 10 DKEE O=C(C=Cc1ccc(O)cc1)c1ccc(-c2cccs2)cc1 2040499652 MDJICDIQRGZGNK-UHFFFAOYSA-N 306.386 5.017 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1cccc(SC)c1 2070123736 PEEJPLMIYRWBKC-OAHLLOKOSA-N 324.493 5.243 30 10 DKEE CCCCCCCCCCOC1(C)CCC2(CC1)OCCO2 2105131114 BPHQCHWNGOANFU-UHFFFAOYSA-N 312.494 5.220 30 10 DKEE C=CCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2123081089 STOCBBXGVLHBRG-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE CCCCCCCCC(=O)c1c(Cl)ccc(Cl)c1F 2139555536 PLXQMVGJIQHWHA-UHFFFAOYSA-N 305.220 6.066 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1cc2cscc2s1 2149864406 KIHPOCQEHVLWER-HNNXBMFYSA-N 303.496 5.197 30 10 DKEE CCCCCCC[C@H](O)[C@@H](NCCC)c1csc(Cl)c1 2154424693 WXUAMOJTXVBRCT-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE CCCSc1ccccc1Nc1cc(Cl)ccc1C#N 2158459869 NGIBTWPGIOCWSW-UHFFFAOYSA-N 302.830 5.457 30 10 DKEE Cc1cc(CN(C)CC2(CS)CCCCCC2)sc1C 2159462546 WWHWJZVOLMXGHZ-UHFFFAOYSA-N 311.560 5.067 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(C(F)F)cs1 2161267799 CJDPKBGPGVZRAY-AWEZNQCLSA-N 303.462 6.087 30 10 DKEE C=C([C@H](NC)c1cccc(SC(F)(F)F)c1)C(C)(C)C 2164082254 CNSXJBMRFSFEKM-ZDUSSCGKSA-N 303.393 5.161 30 10 DKEE C=CC1(CN[C@@H](C)c2ccc(Cl)cc2Cl)CCCCC1 2189519343 VTNKWRQUCNNLSU-ZDUSSCGKSA-N 312.284 5.781 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cc3sccc3s2)C1 2205528563 BAJVRVWCNZLHAB-GDBMZVCRSA-N 305.468 5.106 30 10 DKEE C=CCCCCCC(=O)c1sc(C)c(C)c1Br 2215935329 ZMEAONNAGMRISZ-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE C=C(CC)C[C@H](Cc1cccc(Cl)c1Cl)NCCC 2227507944 LKLIPHAQHXOVPK-CQSZACIVSA-N 300.273 5.260 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(F)c(C)cc1Cl 2232453676 YXSICTMGDHRKDV-QGZVFWFLSA-N 300.845 5.962 30 10 DKEE CSc1cccc(Nc2cc(C)c(Cl)cc2F)c1C#N 2234750347 NQLMFUIOXJSVGE-UHFFFAOYSA-N 306.793 5.125 30 10 DKEE CCCCCCCCC[C@@H](NN)c1c(Cl)cncc1Cl 2235984967 XJDMSCWADQQJBP-CQSZACIVSA-N 318.292 5.034 30 10 DKEE C=CC[C@@H](C)OC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2238019564 YHWRWSAXGZFVST-MLGOLLRUSA-N 316.272 5.015 30 10 DKEE CCCCCCCC[C@](C)(O)c1csc(C(F)(F)F)n1 2240627836 JLLNCXQOWXUCRA-ZDUSSCGKSA-N 309.397 5.120 30 10 DKEE CCCCCCCCC[C@H](C)N[C@@H](C)COCc1ccccc1 2246064325 UVCWSOZZIPKEQF-PMACEKPBSA-N 319.533 5.711 30 10 DKEE C=CCCCC[C@@H](NC)c1sc(Br)c(C)c1C 2247235893 STZUOJDYUXBFTQ-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCCCC[C@@H](C)NCC1(Br)CCC1 2263712670 QHOAFTCSIJPPHG-OAHLLOKOSA-N 318.343 5.423 30 10 DKEE CC(C)(C)C#CC=CCn1ccc2cccc(Br)c21 2268758468 HIGREWSPVGPFFV-UHFFFAOYSA-N 316.242 5.010 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)C#Cc1ccc(Cl)cc1 2286514831 NACOOVKQBJWGHD-UHFFFAOYSA-N 323.606 5.190 30 10 DKEE CCc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2294300159 YVFRTOCVSCAYKR-UHFFFAOYSA-N 305.204 5.452 30 10 DKEE CCCCCCCCC[C@H](C)NCC(CC)(CC)SC 2295683938 GVASMTCZLOKOSZ-KRWDZBQOSA-N 301.584 6.027 30 10 DKEE C=CCC(CC=C)S[C@@H](c1ccc(Cl)s1)[C@H](C)N 2313528691 GSMJZFUJPZLIFR-IINYFYTJSA-N 301.908 5.044 30 10 DKEE CC(C)CC(CC(C)C)Oc1cccc(Br)c1C#N 2335227865 FSCVEMRFOJYUJG-UHFFFAOYSA-N 324.262 5.160 30 10 DKEE CC[C@H]1CC[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2349797448 PVOFNIVKRCITFV-BONVTDFDSA-N 300.204 5.395 30 10 DKEE C=C(C)C[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2349899402 XWNHEOOYTZFPSX-LBPRGKRZSA-N 304.236 5.009 30 10 DKEE CCCCCCC[C@@](C)(O)c1c(Cl)cc(C)cc1Cl 2352845634 ISUQELNYXLFPED-MRXNPFEDSA-N 303.273 5.870 30 10 DKEE C=C[C@](C)(CCCc1cc(Cl)cc(Cl)c1)C(=O)OCC 2366824191 QCSGUJCLTNSSSW-MRXNPFEDSA-N 315.240 5.072 30 10 DKEE C=CCCC[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2366841664 HSHCBFJUULVSNR-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CC[C@H]1C1CCCC1 247588 IJIZPDDJBJFYIT-UKYUDJEDSA-N 308.343 5.258 30 10 DKEE CCCCCCCCCNC(=O)c1ccc(Cl)cc1Cl 3155147 VGSOFPZKZKHXRP-UHFFFAOYSA-N 316.272 5.474 30 10 DKEE Cc1cc(C)c([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)c(C)c1 14457659 FOSHDZGXHUQFSB-SVMVAKDDSA-N 314.432 5.310 30 10 DKEE N#C[C@H](CCCOc1cccc2ccccc12)c1ccccc1 57684550 IZBPGWAMQILUSS-IBGZPJMESA-N 301.389 5.306 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(SC)cc2)cc1 83192795 CZJRCVKHHNMNNW-AWNIVKPZSA-N 312.434 5.093 30 10 DKEE CCCCCCCCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 108875213 MPIRCBPZWMVITN-PDRSHUBSSA-N 319.533 5.458 30 10 DKEE CCCCCCCCOCc1ccc(F)cc1Br 109975800 ZAEBAWLBRCHJKU-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE N#Cc1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl 110353993 ZCMIALWUKWCJHM-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CCCCCCCSc1cc(Br)ccc1N 123223586 ADFRHAOTPGDLHF-UHFFFAOYSA-N 302.281 5.094 30 10 DKEE Cc1ccc(-c2ncc(C#Cc3ccc(Cl)cc3)s2)s1 196640297 CHKFOEFRSOPVRD-UHFFFAOYSA-N 315.850 5.233 30 10 DKEE CCCCCCCCOC(=O)c1cc(Cl)nc(CCC)c1 228483159 DQWDCYWLDGDAAD-UHFFFAOYSA-N 311.853 5.205 30 10 DKEE Cc1ccc(C)c(Sc2ccc(Br)cc2C#N)c1 229238765 TWLKWHRIIBIAEP-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(F)c(F)cc1Cl 231293830 KMSSPPHXJJJDBN-INIZCTEOSA-N 303.824 5.759 30 10 DKEE CCCC1CCC(C=O)(Cc2cccc(Br)c2)CC1 317088199 DISGKJBOTLRTBJ-UHFFFAOYSA-N 323.274 5.167 30 10 DKEE C[C@H](c1ccc(Br)cc1)C1(C#N)CCCCCCC1 388670241 PXMDILQKZIGYIS-CQSZACIVSA-N 320.274 5.807 30 10 DKEE C=CC[C@H](CC)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 393785909 XSJGZSVWBONOMV-ZJUUUORDSA-N 306.664 5.652 30 10 DKEE N#C[C@H](CCC1CCCCC1)Nc1cccc(Br)c1 395178356 CXJMBHSBRVOQKF-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCCCCCCCCC[C@@H](NC)[C@@H](C)OCc1ccccc1 404548552 OBYSGEXPHYAFDS-TZIWHRDSSA-N 319.533 5.711 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@H]1C(C)C 698377373 NJOFYESUGDCTGR-FRQCXROJSA-N 322.493 5.131 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccccc1OCc1ccccc1 715721430 ORNSLHINAUSIMC-XMSQKQJNSA-N 323.480 5.519 30 10 DKEE C=CCCCCCCNCCc1cc(Cl)cc(Cl)c1 722109833 UAKCKWIHLWIZDS-UHFFFAOYSA-N 300.273 5.262 30 10 DKEE Cc1ccc(/C(=N/OCc2ccc(Cl)cc2F)C2CC2)cc1 821226888 MNAZGAOAUGLYNL-UZYVYHOESA-N 317.791 5.118 30 10 DKEE CCC(C)=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1 1772743218 KLRPQPCVVZXSQR-UHFFFAOYSA-N 314.241 5.315 30 10 DKEE N#Cc1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1 1848368147 QEXCHYQSRMPLLR-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCCCCCC[C@@H](C)NCCc1cc(Cl)sc1Cl 1883083489 LCOAETLPDOYGNQ-GFCCVEGCSA-N 322.345 5.936 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cc(Cl)ccc1F 1892439302 OCYIJMHWFWEPQS-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 1892439477 QZMKXWOJBXFKFE-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE CCCCCCCCC[S@](=N)(=O)c1ccc(F)cc1F 1917913976 JEEJPBUNNWVDBI-FQEVSTJZSA-N 303.418 5.121 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(Cl)c(C)cc1F 1925892240 RGNXACXJBVIXAV-INIZCTEOSA-N 300.849 5.043 30 10 DKEE CC(C)[C@@H](CS)CN(Cc1ccccc1)C1CCCCC1 1932028360 CDAWSMLOODNLGA-GOSISDBHSA-N 305.531 5.023 30 10 DKEE C=CCCCCCCNCc1sc(Br)cc1C 1950822104 NRZOSXJXZAEWCQ-UHFFFAOYSA-N 316.308 5.045 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(Cl)cc(Br)c2)CC1 2010610943 ZYBXCRGGHSIYGA-SECBINFHSA-N 313.622 5.032 30 10 DKEE CCCCCC#CC[C@@H](N)c1cccc(OCc2ccccc2)c1 2024369983 KZUMLJPRUVYDKZ-JOCHJYFZSA-N 321.464 5.239 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)sc1Cl)C(C)(C)C 2035420192 QUMLYVRQWRZVAF-GFCCVEGCSA-N 306.302 5.698 30 10 DKEE C=CC1(CNCc2cc(Cl)c(Cl)s2)CCCCC1 2069162798 ADCKZDBKCPEFJA-UHFFFAOYSA-N 304.286 5.281 30 10 DKEE CCCCCCCCC(=O)c1ncc(C)cc1Br 2078757478 BIJBQLMVDRKKIK-UHFFFAOYSA-N 312.251 5.086 30 10 DKEE C=C1CCC(CC[C@H](NC)c2cccc(Br)c2)CC1 2113417637 KFNYXTAIYPTFCY-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE C=CCCCCCCC[C@H](NC)c1ccc(Br)cc1 2141909080 QXAIPEFODPVRDX-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE CCC1CCC(C=O)(Cc2cc(C(F)(F)F)cs2)CC1 2161225523 LNDYLSMUKRCZQG-UHFFFAOYSA-N 304.377 5.095 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1c(Cl)cccc1Cl 2173629852 QRZHPZLMLCVGSW-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1ccc(Cl)cc1 2184459866 JUJKRURTYQNWHV-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCNc1cc(F)c(Cl)cc1Cl 2203756386 RDRBFXSPWIBOMP-UHFFFAOYSA-N 320.279 6.685 30 10 DKEE C=CCCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1 2207414632 OYMHBWVMSOFILB-UHFFFAOYSA-N 313.268 6.483 30 10 DKEE C=CCCCCCCCOc1ccc(Br)c(C)c1 2220087651 JNZIZVMOEGPWQN-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE C=CCCCCCCCN1Cc2ccc(Br)cc2C1 2227273739 SGBQOBJYHCJRCH-UHFFFAOYSA-N 322.290 5.291 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(Cl)cncc1Cl 2227286938 JWMFUNDOIKSJEP-CQSZACIVSA-N 301.261 5.305 30 10 DKEE C=CCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243547161 XYJNEPHZMPSUDE-INIZCTEOSA-N 318.461 5.007 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 2244644493 NJNKLRPLKIARIA-QGZVFWFLSA-N 319.445 5.204 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(Br)cc1Cl 2250189287 PECKNLNRUVVYJX-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE C=CCC[C@@H](C)[C@H](O)c1cc(Br)cc(C(C)C)c1 2254767650 DNJRWYPILGZVIU-WBMJQRKESA-N 311.263 5.208 30 10 DKEE CC(C)(C)c1cc(Br)cc(C2=CCCCCC2=O)c1 2272979267 QJMIKIGGGMMIHE-UHFFFAOYSA-N 321.258 5.273 30 10 DKEE Cc1cc(Cl)c(Cl)cc1NC[C@@H](C#N)C1CCCCC1 2281508815 QIZLENXJIQTINX-CYBMUJFWSA-N 311.256 5.434 30 10 DKEE CCCCCCCC[C@@H](OCC(=O)O)c1ccsc1Cl 2290608673 KSUBCLQLYIYULM-CYBMUJFWSA-N 318.866 5.294 30 10 DKEE Cc1ccc(C(=NOCc2cc(Cl)ccc2F)C2CC2)cc1 2330296678 FTFKHQHDJYTJTM-UHFFFAOYSA-N 317.791 5.118 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCC)c1ccc(Cl)c(Cl)c1 2335103050 GMYDWSHYFJAVQR-ABAIWWIYSA-N 318.313 5.342 30 10 DKEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CN[C@@H](C)CC 2360365772 QBOFVFCFCSZXIE-RYUDHWBXSA-N 315.885 5.424 30 10 DKEE Fc1cc(OCCCCCCCS)cc(C(F)(F)F)c1 2360848020 MGAOWGWUYZPPAM-UHFFFAOYSA-N 310.356 5.104 30 10 DKEE CC(C)Oc1cccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)c1 83194125 SKZUNNCLAGCQNV-JLHYYAGUSA-N 320.432 5.249 30 10 DKEE CC(C)(C)c1ccc(SCCCCCCCCCS)cc1 97800083 LYIZIXPLBZFANH-UHFFFAOYSA-N 324.599 6.737 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(F)cc1F 109313856 IBXWHGUFXZOSGP-UHFFFAOYSA-N 311.416 5.824 30 10 DKEE CCCCCCCCCCCCNCCOCC(F)(F)F 111638749 YOULVZMLNYNCDO-UHFFFAOYSA-N 311.432 5.076 30 10 DKEE CCCCCCCCCCOc1cccc(Br)c1 113069709 ZEWWVTNUXJYURL-UHFFFAOYSA-N 313.279 5.969 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1 115651716 ODMLIQCQYKOMGQ-KRWDZBQOSA-N 317.300 6.558 30 10 DKEE CCCCCCCCCCSc1ccc(CNCC)cc1 123990380 FYVUUNLOEORUCL-UHFFFAOYSA-N 307.547 6.029 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H]1CSc2ccccc21 139397048 ITCDFONTYNBCRQ-ROUUACIJSA-N 305.531 5.605 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(C)cc(Cl)nc1Cl 232933100 JLORHDPAUSOBKB-GFCCVEGCSA-N 303.277 5.858 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 233164182 BJHBIGMYYNHUPG-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE Oc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)c(O)c1 257351461 FGWAFVXSDJQNPJ-UHFFFAOYSA-N 317.348 5.264 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(Br)ccc2C)C1 314180238 MGTNKWOUCUCPJH-YOEHRIQHSA-N 320.274 5.410 30 10 DKEE N#Cc1cccc([C@@H]2CCc3ccccc3N2Cc2ccccc2)c1 616668463 VUPNRGZIVQJIFN-QHCPKHFHSA-N 324.427 5.252 30 10 DKEE CCCCCCCCC[C@H](Cc1ccsc1Cl)NC 687928086 XUSWFAAMWKBKHK-OAHLLOKOSA-N 301.927 5.673 30 10 DKEE CCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698482736 FYJIUMGWIYNREA-YJBOKZPZSA-N 310.482 5.275 30 10 DKEE C=CCCC(C)(C)CNCc1ccc(C)c(Br)c1C 719610683 WGXKNSUUMWUKDS-UHFFFAOYSA-N 324.306 5.148 30 10 DKEE CCCCCC(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911717022 QECFULWMFNUOSV-UHFFFAOYSA-N 317.429 5.196 30 10 DKEE CCCCCCCC[C@H](N)c1cc(C)c(Br)o1 1917588860 WKMNTSMIQAMMKZ-LBPRGKRZSA-N 302.256 5.101 30 10 DKEE Cc1cccc(C=NN(Cc2ccccc2)Cc2ccccc2)c1 1923401996 PXJNGAYNYAAIIR-UHFFFAOYSA-N 314.432 5.031 30 10 DKEE C=C(C)C[C@@H](NCCC)c1c(C)sc(C)c1Br 1948480652 NINTVPOKIPVJRO-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=CCN(Cc1ccccc1)CC1CCC(C(F)(F)F)CC1 1962675708 VNVQIYHCNSHYRB-UHFFFAOYSA-N 311.391 5.043 30 10 DKEE C=C(CC)C[C@H](NCCC)c1sc(C)cc1Br 2000448788 SJRBLMBBZCVHPS-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=C(Br)CCNc1ccc(-c2ccccc2)cc1 2045037315 BVSXYTQTLUISJR-UHFFFAOYSA-N 302.215 5.064 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2096546580 RKSUZAIRRXOZTB-WDEREUQCSA-N 320.691 6.042 30 10 DKEE N#Cc1ccc(Br)cc1NC1CCCCCCCC1 2112433074 CZDVQWKUFFITJR-UHFFFAOYSA-N 321.262 5.236 30 10 DKEE C=C([C@H](CSc1ccc(Cl)cc1)NCCC)C(C)(C)C 2152926400 PXAYOTKIFFTEOP-INIZCTEOSA-N 311.922 5.403 30 10 DKEE CCCCCCCC[C@H](NCC)c1nccc(Cl)c1F 2154329077 IBLUNWGYOLLHIC-AWEZNQCLSA-N 300.849 5.275 30 10 DKEE CCCCCCCCC[C@H](NC)c1sc(OC)nc1Cl 2164065541 RQHKWOVGYHNQRG-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE Cc1nc(Oc2cc(Cl)cc(C#N)c2)sc1C(C)(C)C 2186487232 VGHPFZHLIVMXNB-UHFFFAOYSA-N 306.818 5.066 30 10 DKEE CCCCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2197921638 NZXUUSZBGWUATN-QGZVFWFLSA-N 316.316 5.875 30 10 DKEE Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)cc1C#N 2199334318 AZEKXHOSGBFVJV-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(F)cc1OC 2207370842 JIWZTPLBBSNLKR-UHFFFAOYSA-N 300.801 5.421 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1cc(Cl)cc(Cl)c1 2231497923 WMVDNDXLNXCSRP-STQMWFEESA-N 300.273 5.116 30 10 DKEE N#C[C@H](C(=O)C1CCCCCC1)c1cc(Cl)ccc1Cl 2234053654 LLWCOVZGMXYIOI-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1c(Cl)cccc1Cl 2235531751 CPDGHRNIRLSCJS-QGZVFWFLSA-N 314.300 6.084 30 10 DKEE CCCCCCCCCCO[C@@H](CN)c1ccc(Cl)s1 2239481543 DMGRHLGBHAERGX-AWEZNQCLSA-N 317.926 5.559 30 10 DKEE CCc1cc(Cl)ccc1Nc1cc(Cl)c(C#N)cc1F 2240494621 HIOPLPBGFBUXGF-UHFFFAOYSA-N 309.171 5.310 30 10 DKEE CCc1cc(Cl)ccc1Nc1cccc(SC)c1C#N 2240496223 URXWDTLMAULFCN-UHFFFAOYSA-N 302.830 5.240 30 10 DKEE C=C(C)CCCC[C@@H](N)c1c(Cl)cccc1Br 2250134031 UBRXTNWHQTZMNA-CYBMUJFWSA-N 316.670 5.239 30 10 DKEE CCCCCCCCCC[C@H](N)c1cocc1Br 2258121137 LCXWCULQQAWIGC-HNNXBMFYSA-N 316.283 5.573 30 10 DKEE CC(C)(C#N)CCCCn1ccc2cc(Cl)c(Cl)cc21 2283579282 BFMJFKXBFAQLOI-UHFFFAOYSA-N 309.240 5.668 30 10 DKEE CC#CCCCC[C@H](NCCC)c1csc(Cl)c1OC 2284264792 DPDDOORUUKIPBF-AWEZNQCLSA-N 313.894 5.035 30 10 DKEE C=CCCCCCCCSc1ccc([C@@H](C)O)c(Cl)c1 2287189466 NFVZATYQPQXVOP-CQSZACIVSA-N 312.906 6.012 30 10 DKEE CC(=NOCc1ccccc1F)c1ccc(-c2ccccc2)cc1 2330458465 BPCSZBYKLQQHDS-UHFFFAOYSA-N 319.379 5.434 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)c(Br)c1 2337064813 ZASKFKZVUNYDHT-GRDNDAEWSA-N 322.290 5.153 30 10 DKEE C=CCCCC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2340797787 HVCZJAVMMRSFRF-AWEZNQCLSA-N 304.236 5.530 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340801719 QNKFBQGITVVECJ-YGRLFVJLSA-N 302.220 5.139 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(C(F)F)s1 2345161853 ONJHWBDMPDZTSF-NSHDSACASA-N 310.837 6.123 30 10 DKEE CCCCCCCC[C@@H](NN)c1c(F)ccc(C)c1Cl 2360561983 JJQBDMXPLRKCNV-CQSZACIVSA-N 300.849 5.043 30 10 DKEE CCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1 2005623 UCDCOJNNUVYFKJ-UHFFFAOYSA-N 312.475 5.007 30 10 DKEE endogenous,in-man N#Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 11803720 ZEGUHAPLPDYJMB-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE O=C(/C=C\c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 35375459 COFYPPRPNNDDRN-NVNXTCNLSA-N 302.348 5.389 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1c(Cl)cccc1Cl 37938302 JKHUPEHVSAEELL-ZDUSSCGKSA-N 311.599 5.324 30 10 DKEE CCCCCCCCOc1c(Cl)cc(Cl)cc1C=O 59300133 AHEMJOZOTGSGEB-UHFFFAOYSA-N 303.229 5.545 30 10 DKEE N#Cc1ccc(Cl)cc1N[C@H]1CCCc2sc(Cl)cc21 127637358 FQGMFUOTXCUERN-LBPRGKRZSA-N 323.248 5.416 30 10 DKEE CCCCCCCCCOc1ccc(C(F)(F)F)cc1N 138300403 XKFPQRXPWSINRE-UHFFFAOYSA-N 303.368 5.417 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1cc(Cl)ccc1OC 229258049 OIWDLJFFCCVKGO-QGZVFWFLSA-N 312.881 5.393 30 10 DKEE C=CCCCCCC(=O)c1cc(C)c(Br)s1 235741124 RLXQWLYLGCIBMM-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE Clc1cc(Cl)cc(N=Cc2ccc(Cl)cc2Cl)c1 1084637649 QLECKSFRPLNCGU-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE Clc1cc(Cl)cc(C#Cc2cc(Cl)ccc2Cl)c1 1614827161 NIUFICWVOUXCDA-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1Cl 1874624045 JCGVRIKUIGPKBL-ONNFQVAWSA-N 314.812 5.368 30 10 DKEE CCCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 1995348845 DTJBOZYUNTWSFF-DLBZAZTESA-N 324.509 5.665 30 10 DKEE CCCCC[C@H](CC)Nc1cc(Br)ccc1C#N 2073349799 GLQIPKLYOPKRHN-AWEZNQCLSA-N 309.251 5.092 30 10 DKEE CC[C@H]1CC=C(C(=O)c2ccc(C)c(Br)c2C)CC1 2125217111 QJYORFDGBYTNOD-ZDUSSCGKSA-N 321.258 5.385 30 10 DKEE C=CCCCCCCN1CCCc2ccc(Br)cc21 2141919873 SLDKRGLVKYJRQU-UHFFFAOYSA-N 322.290 5.338 30 10 DKEE CCCCCCCCC(=O)c1cc(-c2cccs2)cs1 2163967702 VXKAZIBJRSYYKQ-UHFFFAOYSA-N 306.496 6.410 30 10 DKEE C#CCCCCC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2173469028 SMQNHFWEBBGLMP-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE O=C(C=C1CCCCC1)c1cccc(SC(F)(F)F)c1 2177041554 DDXXWDXDFSVPMR-UHFFFAOYSA-N 300.345 5.372 30 10 DKEE C=C1CC(C[C@@H](Cc2c(Cl)cccc2Cl)NCCC)C1 2182158379 RDWJYGBOSNXLJE-AWEZNQCLSA-N 312.284 5.260 30 10 DKEE C=CCCCCCCCCC[C@](C)(O)c1csc(Cl)c1 2207410743 RNFOLZMCPHGKKY-KRWDZBQOSA-N 314.922 6.306 30 10 DKEE C=CCCCCCCC[C@H](NC)[C@@H]1SCCS[C@@H]1CC 2235518407 GKMKOTJLZTXHHR-BBWFWOEESA-N 315.592 5.118 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c([C@@H](C)N)s1 2239495090 LQLQXOPXLKGSOS-GFCCVEGCSA-N 318.914 5.336 30 10 DKEE CCCCCCCCCCCOC(=O)c1cnc(Cl)s1 2239509226 CBSSLVHPNAPKOQ-UHFFFAOYSA-N 317.882 5.484 30 10 DKEE O=C(CC#CC1CCCC1)c1ccccc1OCc1ccccc1 2251484214 BYCIWVPOETUCHD-UHFFFAOYSA-N 318.416 5.032 30 10 DKEE C=CCCCCCCCSc1ncc(CNC2CC2)s1 2287062930 LEKNDSFNKGTQFK-UHFFFAOYSA-N 310.532 5.014 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cc(Cl)cc(Br)c1 2304118621 BNHLSZKRBJWALG-KBPBESRZSA-N 317.654 5.128 30 10 DKEE N#CC[C@@H]1CCC[C@H](c2c(Cl)ccc(Cl)c2Cl)O1 2317110813 ISJGVIWXFYROHX-GZMMTYOYSA-N 304.604 5.171 30 10 DKEE C=C1CCC(C[C@H](O)c2c(Cl)cc(F)cc2Cl)CC1 2340801743 QSSXTNUOYJEYMS-AWEZNQCLSA-N 303.204 5.302 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1sc(Cl)cc1OC 2370526784 XTAKDWQUGIGATA-HZPDHXFCSA-N 315.910 5.443 30 10 DKEE CCCCCCCCCCC(=O)c1ccccc1C(=O)OC 3033144 NTWWVDBUEYNOPT-UHFFFAOYSA-N 304.430 5.187 30 10 DKEE C=CCn1c([C@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 40236494 MXLZJEMYIHZPAF-ZDUSSCGKSA-N 312.800 5.016 30 10 DKEE CCc1sc(-c2c(OC)cc(C)c(Cl)c2C)cc1C#N 77097646 FTNSKCZFNPERHG-UHFFFAOYSA-N 305.830 5.128 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1OC 83193414 CYQBBXUALXNRJO-WUXMJOGZSA-N 324.420 5.113 30 10 DKEE CCCCCCCCCCOc1ccc(C(=S)S)cc1 100312269 MKZGPIJHJCDHIX-UHFFFAOYSA-N 310.528 5.811 30 10 DKEE C/C(=C/C(=O)c1ccc(C)cc1)Nc1cccc(C(F)(F)F)c1 104272902 YYCOBDQBCSRHKT-RAXLEYEMSA-N 319.326 5.212 30 10 DKEE CCCCCCCOc1ccc(Cl)cc1CNC(C)(C)C 111890147 YGFGCTVLTNMALK-UHFFFAOYSA-N 311.897 5.577 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Br)o1 114873519 YBUPUECGFUGHLG-LBPRGKRZSA-N 303.240 5.216 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H]1CSCCS1 122622500 KSTPRMHXDYLZNH-IAGOWNOFSA-N 318.592 5.507 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(F)c(F)c1F 157933543 KEMIITVKKMMELU-HNNXBMFYSA-N 301.396 5.505 30 10 DKEE CCCCCCC[C@@H](NC)c1cccc(Br)c1C 158046904 ASSMKISGSZPIBV-MRXNPFEDSA-N 312.295 5.379 30 10 DKEE CCCC[C@@H](CC)C[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 304321635 CENSNXJWGKUFMR-APWZRJJASA-N 322.493 5.134 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(Cl)sc1Cl 692278558 DGKXCANEUNVKBL-JQWIXIFHSA-N 304.286 5.279 30 10 DKEE CCCCCCCCC[C@](C)(N)c1c(Cl)cccc1Cl 704477633 GTIAOZWARFZNGE-KRWDZBQOSA-N 316.316 6.308 30 10 DKEE CCCCCCCOC[C@H](N)c1cc(Cl)cc(Cl)c1F 708937993 XEUAHIZXROKEOQ-AWEZNQCLSA-N 322.251 5.119 30 10 DKEE C=C1CCC(C[C@H](CCOCc2ccccc2)NCCC)CC1 724575166 JZZBMNSNMLCPRS-NRFANRHFSA-N 315.501 5.098 30 10 DKEE C=C1CCC(C[C@H](NCCC)[C@@H](C)OCc2ccccc2)CC1 724616565 MPSZUCGSPASJCX-NQIIRXRSSA-N 315.501 5.096 30 10 DKEE N#CCc1c(C(F)F)sc2c(SC(F)(F)F)cccc12 725297719 WORAQWUDLONIGY-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE O=C[C@]1(Cc2cc(Cl)sc2Cl)CCCCC12CCC2 1883040620 WIDULKQVEPEGQC-OAHLLOKOSA-N 317.281 5.527 30 10 DKEE CC1(CC[C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 1902043646 SEBRNOAQYNNLNE-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE C=CCC[C@H](C)Nc1cccc([C@H](C)NC(=O)OC(C)(C)C)c1 1925132060 UHWIVUXKMSCKEU-GJZGRUSLSA-N 318.461 5.039 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1ccc(Br)c(C)c1 2071980097 SBLFRSFLHKJRMH-LRDDRELGSA-N 310.279 5.010 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cc(Cl)sc2Cl)C1 2074820794 WDEOGAREVBHJQZ-AWEZNQCLSA-N 305.270 5.383 30 10 DKEE C=CCC[C@H](C)N[C@H](CCC)c1ccc(Oc2ccccc2)cc1 2087918899 RUAVHBUMYSOBCN-PGRDOPGGSA-N 323.480 6.264 30 10 DKEE C=CCCC[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164165064 HMVPTSLUASRTTK-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(C(F)(F)F)cc1Cl 2179676264 DVLBNDXZMODNMZ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1ccc(Cl)s1 2207449091 OSJVKRJOBBTISS-HNNXBMFYSA-N 313.938 6.359 30 10 DKEE CCCCCCCCCOCc1cccc(Br)n1 2223239856 GQMKPJUKMAIBNY-UHFFFAOYSA-N 314.267 5.111 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(Cl)cc1Br 2244972325 SCDXEFAIDJILDC-SNVBAGLBSA-N 322.699 5.300 30 10 DKEE C=CCCCSC[C@H](NCCC)c1ccc(F)c(Cl)c1 2287069038 AGKQFVHXCRDQPS-INIZCTEOSA-N 315.885 5.219 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(C)c(Cl)cc1Cl 2294764624 WRONCYJZLROYNO-AWEZNQCLSA-N 316.316 6.853 30 10 DKEE C[C@@H]1CCc2c(sc(N=CC=Cc3ccccc3)c2C#N)C1 2296737727 FGQLBGBXYBWIOX-CQSZACIVSA-N 306.434 5.160 30 10 DKEE CC(=CC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 2297351495 NXPRNNYQKUBDLW-UHFFFAOYSA-N 306.192 5.192 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1F)c1ccc(C)c(C)c1 2330246500 SKVDTOFKZPGEMF-UHFFFAOYSA-N 319.807 5.427 30 10 DKEE N#Cc1cc(NCCCC2=CCCCC2)ccc1Br 2341050271 ZUIMVCLQIYYPRK-UHFFFAOYSA-N 319.246 5.013 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cccc(Cl)c1Cl 2344341763 DZELPRWKASZDSQ-HOTGVXAUSA-N 300.273 5.636 30 10 DKEE CCCCCC#CC[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2366814699 SVNZYRPCTOYEBZ-QGZVFWFLSA-N 312.284 5.227 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)CC1(CS)CC(C)(C)C1 2371131337 LNKVHUNCXFYJKM-ZDUSSCGKSA-N 311.922 5.069 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)s1 43640085 NDMWYYQIKLDALX-LBPRGKRZSA-N 324.232 5.107 30 10 DKEE CCCCCCCO[C@H](C)C(=O)c1ccc(Cl)cc1Cl 59526126 LOLDMSPEQQPRLK-GFCCVEGCSA-N 317.256 5.552 30 10 DKEE Cc1cccn2c(/N=N\c3ccccc3C#N)c(C(C)(C)C)nc12 71581449 AYHHCBHTYXJKAZ-FCQUAONHSA-N 317.396 5.227 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426681 RZLXAHMCSQLYSE-VNHYZAJKSA-N 322.905 5.572 30 10 DKEE Cc1cc(C)c(OC(C)C)c(C(=O)/C=C/c2ccc(F)cc2)c1 83193855 SBZJXXHOZWFIJB-JXMROGBWSA-N 312.384 5.126 30 10 DKEE CCCCCCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 83204816 OXTXMVSPCKXNRX-LFIBNONCSA-N 322.448 5.850 30 10 DKEE O=C(/C=C\c1cccc(Cl)c1)c1ccc(Cl)cc1Cl 90485288 SKCBOPNZFPCHRQ-DAXSKMNVSA-N 311.595 5.543 30 10 DKEE CCCCCCCCOc1ccc(CNCCCC)cc1OC 100047692 RQAWNZXCQOMMRL-UHFFFAOYSA-N 321.505 5.324 30 10 DKEE C=CCc1cc([C@H](C)CC)cc(C=O)c1OCCCCCCC 100132597 IMTDTOJUAMACDO-QGZVFWFLSA-N 316.485 6.090 30 10 DKEE CCCCCCCCCC[C@@H](Cc1ccccc1Cl)NC 109732378 DBAWBLGCAASZMN-SFHVURJKSA-N 309.925 6.001 30 10 DKEE C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)s1 134678967 MAJIQYIXBXTQDX-APPDUMDISA-N 316.857 5.075 30 10 DKEE CCCCCCCCCCC(=O)COc1ccc(Cl)cc1 135629504 KWOVJWWIHNJYJI-UHFFFAOYSA-N 310.865 5.819 30 10 DKEE Cc1cc(NN=Cc2ccc(C(C)(C)C)cc2)c2ccccc2n1 254733878 KVHJWZXYFHJFOE-UHFFFAOYSA-N 317.436 5.287 30 10 DKEE CC(C)C(C)(C)CSc1ccc(C(F)(F)F)cc1C#N 718781987 HVPGSPBRGBWSHM-UHFFFAOYSA-N 301.377 5.351 30 10 DKEE CCCCCCCC[C@@]1(O)CCCC[C@@H]1OCc1ccccc1 1977471541 LAUWVPQXCLPTOO-LEWJYISDSA-N 318.501 5.628 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCCC2(C)C)cc1Br 2032102482 AJWKLGXICRSXDX-MRXNPFEDSA-N 306.247 5.020 30 10 DKEE CC#CCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045724368 LKDGVOPCGVLZQT-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE C=CCCCCCCCCCN1CCC=C(Br)C1 2086281632 YBVVJKJUFZMSGJ-UHFFFAOYSA-N 314.311 5.278 30 10 DKEE CCCCCCCCCC[C@H](N)c1snc(Cl)c1Cl 2110898360 IZJFVUUVUSUGKA-NSHDSACASA-N 323.333 5.981 30 10 DKEE CCCCCCCCCC[C@@H](O)c1snc(Cl)c1Cl 2110901430 JWBIPMMVYFJAKU-LLVKDONJSA-N 324.317 6.014 30 10 DKEE C=C(C[C@@H](NCCC)c1cc(-c2cccs2)cs1)OC 2171011056 RIXBVPZQXMETSW-CQSZACIVSA-N 307.484 5.068 30 10 DKEE C=C1CC(C[C@@H](Cc2ccc(Cl)c(Cl)c2)NCCC)C1 2182159061 ZLOPOBRDMJHOEI-OAHLLOKOSA-N 312.284 5.260 30 10 DKEE CCCC[C@](C)(C#N)[C@H](O)c1ccc(-c2cccs2)s1 2205866004 MZNXKXXUVBGBHU-HZPDHXFCSA-N 305.468 5.230 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1scc(C)c1Cl 2206902680 MCZWBJSBAIQHFC-OAHLLOKOSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCCC[C@H](NC)[C@H]1SCCS[C@H]1C 2207436283 MEYKSPZYUQWRBL-ULQDDVLXSA-N 315.592 5.118 30 10 DKEE CCc1cc(Br)ccc1C(=O)C1=CCCCCC1 2221754098 QENRZLAYSFGRBQ-UHFFFAOYSA-N 307.231 5.085 30 10 DKEE C=CCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@@H](C)S1 2227278519 AAZVDUIBQPBHSC-FMKPAKJESA-N 300.533 5.098 30 10 DKEE CCCCCCCCCCOC(=O)c1cc(S)cs1 2231024579 AEFDDHBORMMLDD-UHFFFAOYSA-N 300.489 5.334 30 10 DKEE C=CCC1(n2c(S)nc3cc(Cl)c(C)cc32)CCCC1 2236879119 JXBWJPKCFGDBOH-UHFFFAOYSA-N 306.862 5.132 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c([C@@H](C)O)s1 2239483467 RLUDZFQBLZZGCW-GFCCVEGCSA-N 319.898 5.369 30 10 DKEE CCN[C@@H](C#Cc1cccc(Cl)c1)c1cc(Cl)sc1C 2239487081 MOUJGIMISZPOGN-HNNXBMFYSA-N 324.276 5.066 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc(Cl)cc(Cl)c1 2293666697 IPGVVNYOSUYVPR-INIZCTEOSA-N 318.288 5.370 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1ccc(Br)c(C)c1 2338738031 JGBDKLGDTQQABC-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1scc(Cl)c1Cl 2338748159 XDAMFXHNPAUGCI-CQSZACIVSA-N 318.313 5.864 30 10 DKEE O=C[C@]1(CCCc2cc(Cl)cc(Cl)c2)C[C@H]2CC[C@H]1C2 2366847693 DFOYMBDELYLNAY-ZQIUZPCESA-N 311.252 5.321 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccsc1C(F)(F)F 2370518346 JZMAWQOTOWBCJT-LBPRGKRZSA-N 305.409 5.410 30 10 DKEE CC(C)(C)c1cc(CS)c2cc(Cl)cc(Cl)c2n1 82467969 BTLKNCXQCDZHMO-UHFFFAOYSA-N 300.254 5.269 30 10 DKEE COc1ccc(Cl)cc1C1(C#N)CC2(CCCCCC2)C1 86543300 BSZZGRABZJRKKW-UHFFFAOYSA-N 303.833 5.244 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(SC(F)(F)F)cc1 115652872 PHRJVLRFGNZSCX-CQSZACIVSA-N 306.393 5.692 30 10 DKEE CCCCCCC[C@H](CSc1cccc(C)c1)NCCC 117422891 RCGPWMDNGMQPAJ-GOSISDBHSA-N 307.547 5.816 30 10 DKEE N#Cc1cc(Nc2c(F)cccc2Cl)ccc1C(F)(F)F 122254970 BYDSXHYSZXWODJ-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#Cc1cc(Cl)nc(Sc2cc(Cl)ccc2Cl)c1 122897408 QEFSELZZVZSJGF-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE CCCCCCCCC[C@@H](NCC)C1CCC(F)(F)CC1 139439583 FMDRHOBZBTUGKA-QGZVFWFLSA-N 303.481 5.931 30 10 DKEE N#Cc1cc(F)cc(Nc2cc(Cl)c(Cl)cc2Cl)c1 227604583 FGJPWIOQFIZHCM-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(Cl)ccc1Br 233557709 UQAIPONDWGOLKF-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(Br)c(C)c1 233607804 SKVCQNCDRGWOPS-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1c(F)cccc1Cl 313568613 VMVRTNACAFUWEZ-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCc1csc(SCC2(CS)CCCCCC2)n1 382973751 RXFHEFVXGOEKSU-UHFFFAOYSA-N 301.546 5.068 30 10 DKEE C=CCC(C)(C)CN[C@@H](c1ccco1)c1ccc(Cl)s1 394243282 PZGPXWSOOCYKLM-HNNXBMFYSA-N 309.862 5.276 30 10 DKEE Fc1ccc(-c2ccccc2OC(F)(F)F)c(C(F)(F)F)c1 514255401 FIFHNXXVBMAPRF-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCCCCCCCC[C@@](C)(N)COCc1ccccc1 707760991 FGLDZVVJLUHFCE-HXUWFJFHSA-N 305.506 5.451 30 10 DKEE CCCCCCCOC[C@@H](N)c1c(Cl)ccc(F)c1Cl 708904337 BABAAZQAYPKEII-CYBMUJFWSA-N 322.251 5.119 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1cscc1Cl 711578421 UHTPIDFWYNODBE-KRWDZBQOSA-N 315.954 6.583 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 715718363 GJYSXKNMBUELPK-XMSQKQJNSA-N 323.480 5.519 30 10 DKEE C=C1CCC(C[C@@H](NC)c2csc(C(F)(F)F)c2)CC1 724590519 UHBZOWBFCLFOBK-CYBMUJFWSA-N 303.393 5.164 30 10 DKEE COc1ccc(Cl)cc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874590042 PYLUMJDNJTWOAV-FNORWQNLSA-N 314.812 5.170 30 10 DKEE CCCCCCCCCNc1ccc(Cl)c(Cl)c1F 1893158395 BLQIHDUIUSCVMH-UHFFFAOYSA-N 306.252 6.295 30 10 DKEE C[C@H]1CC[C@@](C#N)(Cc2sc(Cl)cc2Br)C1 1903682860 KNFWVCPJSXGGMH-UFBFGSQYSA-N 318.667 5.036 30 10 DKEE CCCCCCCC(=O)[C@@](C)(O)c1ccc(Cl)cc1Cl 1919071522 PHIHKOWSQLDIHV-INIZCTEOSA-N 317.256 5.131 30 10 DKEE C=CCCCCC[C@@H](O)c1cscc1OCc1ccccc1 1934839651 QAYFWPCKFNMSSN-GOSISDBHSA-N 316.466 5.497 30 10 DKEE Cc1cc(C#N)ccc1CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1946838655 CALSQIINICNDNF-SFHVURJKSA-N 320.480 5.304 30 10 DKEE C=CCCC[C@H](NCC)c1c(Br)sc(C)c1C 1951109297 ZTXDMFFYYYONDE-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C(CN(CCC(F)(F)F)Cc1ccccc1)c1ccccc1 1990768868 WAMOFHXLOWQEKM-UHFFFAOYSA-N 319.370 5.154 30 10 DKEE C=CCCCCCCCCCC[C@H](O)COCc1ccccc1 1995328915 WIEWCPLBCJGJSW-NRFANRHFSA-N 318.501 5.651 30 10 DKEE C=C([C@H](NCCC)c1cc(C)c(Cl)s1)[Si](C)(C)C 2046764514 SPGZGCYZKQRBDA-ZDUSSCGKSA-N 301.959 5.184 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(Br)co1 2049667224 LYZWXNORVOQRPG-CQSZACIVSA-N 316.283 5.443 30 10 DKEE Cc1cccc(CC2(C#N)CCCCCCC2)c1Br 2087885635 SOMAXHNNXBQCDO-UHFFFAOYSA-N 320.274 5.554 30 10 DKEE CCCC#CC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2138993516 JNSGYXYAMRMQJW-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H](O)c1ccc(Cl)s1 2148601531 OPGJQRUZNYSMOW-CZUORRHYSA-N 317.926 5.164 30 10 DKEE C=C1CCC(C[C@](C)(N)c2cc(Cl)cc(Cl)c2F)CC1 2154683814 YGBOTDKGVISYFA-INIZCTEOSA-N 316.247 5.443 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc2sc(C)cc2s1 2156532103 VLGYWFQKNNJCFZ-CYBMUJFWSA-N 310.532 5.526 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(C(F)F)cs1 2164487071 JCRNOEHTDREJNT-AWEZNQCLSA-N 304.446 6.250 30 10 DKEE Cc1cc2c(s1)CCN(CCCCCCCCCS)C2 2206407630 DOLGBJHYSNYWMI-UHFFFAOYSA-N 311.560 5.075 30 10 DKEE C=CCCCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1C 2207409236 MBLOVOXMTGKFET-NVXWUHKLSA-N 314.560 5.490 30 10 DKEE C=CCCCCCCCCC[C@H](N)[C@@H]1SCCS[C@@H]1C 2207430803 YMUQRSKBENVUSB-IXDOHACOSA-N 315.592 5.248 30 10 DKEE CCCCCCCC[C@@H](C)N[C@H](C)CN(C)Cc1ccccc1 2212666329 DQEQRQJJGIVWFY-WOJBJXKFSA-N 318.549 5.236 30 10 DKEE O[C@@H](CCCC(F)(F)C(F)(F)F)c1cscc1C(F)F 2240402706 CGQSGJBNOKFIDB-QMMMGPOBSA-N 324.261 5.087 30 10 DKEE CC(C)(C)C#CC=CCN(Cc1ccccc1)Cc1cccs1 2243729704 JABFTFXDVPQDHR-UHFFFAOYSA-N 323.505 5.356 30 10 DKEE CCCCCCCCC(=O)c1nccc(Br)c1C 2260028318 HBVSRFHIQONZPP-UHFFFAOYSA-N 312.251 5.086 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(C(F)(F)F)s1 2295005290 ATXSFBAKUCKRIA-FZMZJTMJSA-N 305.409 5.410 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cccc(Cl)c1F 2295588410 GLYOUDFJJJUZMG-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2ccccc2CC)cc1 2296875887 JYGOKZWEBMJTHX-UHFFFAOYSA-N 323.436 5.236 30 10 DKEE Cc1cc(OCCC(C)C)cc2c1C(=O)C(=Cc1ccccc1)O2 2324637658 ZWZQXYODDJOXQD-UHFFFAOYSA-N 322.404 5.036 30 10 DKEE C=CCCC[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352819211 XDZSNSGTLQIYFS-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc3ccccc3c2)c1 283410 DNLDBBUQNXMDAX-YBFXNURJSA-N 310.740 5.152 30 10 DKEE N#C[C@@H](C(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl 36931098 SSMUDVZXTMKGSE-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE N#CC1(c2ccccc2)CC(Nc2cc(Cl)ccc2Cl)C1 86035842 BMMBUJYGUKPQPL-UHFFFAOYSA-N 317.219 5.029 30 10 DKEE CCCCCCCn1c(Cc2cccs2)nc2ccccc21 101906666 LNPOYHRXMFDDOQ-UHFFFAOYSA-N 312.482 5.659 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1ccccc1Cl 109739668 WIWAVCHNPXQMGK-LJQANCHMSA-N 309.925 6.521 30 10 DKEE CCCCCCCO[C@H](CNCCC)c1cccc(Cl)c1 110067851 CXNZHAJGWUTLCC-GOSISDBHSA-N 311.897 5.368 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(Cl)sc1Cl 115062775 ZOMTVFFVLKBWDS-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE CCCCCCCCCC(=O)Cc1nc2ccccc2s1 115858610 PFLKXPCSHLXBRN-UHFFFAOYSA-N 303.471 5.549 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1c(Cl)cnn1C 129699277 KRHCLTULTANEKE-INIZCTEOSA-N 313.917 5.255 30 10 DKEE CCCCCCCCCCC(=O)c1ccc(F)c(F)c1F 165086210 XTEHLFCADZJSPZ-UHFFFAOYSA-N 300.364 5.817 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(C(C)(C)C)s1 165469499 CPJQDZKGIUKRLQ-MRXNPFEDSA-N 309.563 6.447 30 10 DKEE N#C[C@@H](Sc1ccc(Br)cc1)C1CCCCCC1 167874572 PHTUTYJYQQJGAE-OAHLLOKOSA-N 324.287 5.404 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ccoc1Br 232941349 QLWYLJODLVGYPQ-CQSZACIVSA-N 316.283 5.573 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1CS[C@@H](C)[C@H](C)S1 300421318 COTWNNLQWCOFOE-QAETUUGQSA-N 317.608 5.341 30 10 DKEE C=C(CNc1ccc(OCc2ccccc2)cc1)c1ccccc1 310439838 PLQZGVZNBFIBNV-UHFFFAOYSA-N 315.416 5.391 30 10 DKEE N#Cc1cc(Cl)cc(OCc2cccc(Cl)c2Cl)c1 311589611 GIDMAMYVFJASNO-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)[C@H](C)CSC 379920631 AZNJJKZDOAJHDY-QZTJIDSGSA-N 301.584 5.885 30 10 DKEE C(=Nn1c2ccccc2c2ccccc21)c1ccc2ccccc2c1 575179027 MBLNWPJOVJQKOL-UHFFFAOYSA-N 320.395 5.830 30 10 DKEE Cc1ccc(Cl)c(N=C2NC3(CCCCC3)CCS2)c1 687322095 VYGVZQSBUNFAAW-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE Fc1cc(Cl)cc(OCC2(CS)CCCCCC2)c1 703733251 PKNQBGHQLFNNEY-UHFFFAOYSA-N 302.842 5.128 30 10 DKEE CCCCCCC[C@@H](N)c1c(C)ccc(Br)c1F 721179788 QMSKZYIPBMRSTD-CYBMUJFWSA-N 316.258 5.257 30 10 DKEE N#CCc1cc(SC(F)(F)F)cc2scc(Cl)c12 725286127 GALYCCBPQMSDCI-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE CC(C)c1ccc(C=NNc2cccc(Br)c2)cc1 725444383 FDRYZUOPIBSMCZ-UHFFFAOYSA-N 317.230 5.019 30 10 DKEE COc1ccc(-c2csc(N=C/C=C/c3ccccc3)n2)cc1 1084200054 CSKMRFRKVMSVHQ-AJKPIQFMSA-N 320.417 5.234 30 10 DKEE Fc1ccc(C(F)(F)F)c(-c2ccc(OC(F)(F)F)cc2)c1 1848364070 ZCHJSGQZCYRGRS-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCCCCCCNC(=O)CCCc1ccc(Cl)cc1 1859575202 MVDSHNYQLHNWRW-UHFFFAOYSA-N 309.881 5.139 30 10 DKEE CCCCCCCCCCn1cc(OCC(C)C)c(=O)cc1C 1870093876 ZUNZFOIJIBWHTG-UHFFFAOYSA-N 321.505 5.332 30 10 DKEE Cc1ccc(N(Cc2ccccc2)Cc2cccs2)c(C#N)c1 1915431652 GQGLYWNQOGQBTQ-UHFFFAOYSA-N 318.445 5.135 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cscc1OCc1ccccc1 1934837172 CEZWNHMTCKSUES-GOSISDBHSA-N 315.482 5.334 30 10 DKEE C=CCCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 1984514266 ATZXWPCWOHDSAQ-MRXNPFEDSA-N 318.461 5.088 30 10 DKEE C=CCC[C@@H](N)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993580881 QOPATQLSARLSTA-MRXNPFEDSA-N 318.461 5.123 30 10 DKEE C=C(Br)CCOc1ccc(Cl)c2ccccc12 1999697363 BMEIJNCSUJOUJA-UHFFFAOYSA-N 311.606 5.171 30 10 DKEE C=C(C)C[C@@H](N)c1ccc(-c2cccc(Br)c2)s1 2045619133 CHHQMPPNLCLIFS-CYBMUJFWSA-N 322.271 5.144 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1ccsc1Cl 2091006686 KMLWTKPPXUVKIE-CQSZACIVSA-N 302.867 5.145 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 2096542419 MTEOTUNXIOFNGF-QWRGUYRKSA-N 304.236 5.528 30 10 DKEE CCCCCC#CCC(=O)c1ccc(C)c(Br)c1C 2139049905 ZLHPOXSUOJSQIV-UHFFFAOYSA-N 321.258 5.222 30 10 DKEE C=CCCCCCC[C@@H](NN)c1cc(Cl)cc(Cl)c1 2141920004 CFLAQEFGSPXCDE-OAHLLOKOSA-N 301.261 5.024 30 10 DKEE C=C([C@@H](NCCC)c1cc2sc(C)cc2s1)[Si](C)(C)C 2156526761 AYZUCVZVAVEAPT-MRXNPFEDSA-N 323.603 5.746 30 10 DKEE CCCCCCCCCC[C@H](CCSCC)NCCC 2164213308 WAORQFBNLRTYIU-GOSISDBHSA-N 301.584 6.029 30 10 DKEE CC1(CC(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)CCCC1 2168894139 HFMOSQXNWWCQJT-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE C[C@](F)(CNc1c(Cl)cccc1C(F)(F)F)C(F)(F)F 2191841811 LRTAXTNBSKBWQV-VIFPVBQESA-N 323.639 5.061 30 10 DKEE C=CC[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 2195819155 UTORAQSHRFXSDX-ZDUSSCGKSA-N 305.874 5.343 30 10 DKEE N#Cc1cc(F)c(NCc2cc3sccc3s2)cc1Cl 2205532651 NDOWVAJMEGAPRO-UHFFFAOYSA-N 322.817 5.239 30 10 DKEE C=C[C@@H](CCCCC)OCc1cccc(F)c1Br 2223286505 IFKBQGHFIBIWQP-ZDUSSCGKSA-N 315.226 5.240 30 10 DKEE CC[C@H]1CCC[C@](C=O)(CCCC(F)(F)C(F)(F)F)C1 2240470538 WYGMWQZOQFZHDV-RYUDHWBXSA-N 300.311 5.140 30 10 DKEE Cc1c(Br)sc(C(=O)C=C2CCCCC2)c1C 2247221679 LNWMBQCOLXNMKM-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE C=C([C@H](NC)c1cc(Br)cc(C(C)C)c1)C(C)(C)C 2265966186 YSSVFWTUYBOTGC-INIZCTEOSA-N 324.306 5.435 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286474502 RKHKYSXQOFCDRD-SJKOYZFVSA-N 312.284 5.392 30 10 DKEE CC1(CS[C@H]2CCCCC[C@@H]2C#N)CC(C(F)(F)F)C1 2287331715 IEFKURGELZBRLP-ZIHBUVQPSA-N 305.409 5.171 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(-c3ccc(F)cc3)o2)cc1 2293034629 VOSSWBSPKPJPLA-UHFFFAOYSA-N 306.336 5.290 30 10 DKEE CCCCCCCCCC[C@@](C)(OCCN)C1(Cl)CC1 2293503554 BTUYUUHTUGZAMY-MRXNPFEDSA-N 303.918 5.023 30 10 DKEE CCCCCCCC[C@](C)(CSC(C)(C)C)OCCN 2294564586 FYQISQKYOIZKDY-QGZVFWFLSA-N 303.556 5.003 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1sc(Br)c(C)c1C 2304055237 JFTGNYQSOUVHJB-GXTWGEPZSA-N 316.308 5.120 30 10 DKEE O=C(C=Cc1cccc(O)c1)c1ccc(Oc2ccccc2)cc1 2325789009 FQQNZYCNEBHQAX-UHFFFAOYSA-N 316.356 5.081 30 10 DKEE C=CCCCN(CC)CCCc1cc(Cl)cc(Cl)c1 2341127137 HNMHQCBDBYUCDX-UHFFFAOYSA-N 300.273 5.214 30 10 DKEE Cc1c([C@H](O)[C@@]2(C#N)CCCC[C@H]2C)ccc(Cl)c1Cl 2366098531 GZCYFQNFBMTAHG-HPEXNQPKSA-N 312.240 5.055 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2370483009 QKSHIGZLRIUWKT-SJORKVTESA-N 314.300 5.506 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2377428823 HIYGCTJRQIJTAJ-OAHLLOKOSA-N 315.215 5.162 30 10 DKEE CCCOc1ccc(C)cc1C(=O)/C=C/c1cccc(OCC)c1 83205164 IQUJXNDIOREQTN-ZHACJKMWSA-N 324.420 5.079 30 10 DKEE C=C(CC)C[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 97208600 QJJOPRDQJAINLT-CQSZACIVSA-N 300.273 5.260 30 10 DKEE CCCCCCCCCCCCC[C@@H](O)CCCC(=O)O 102183294 YTITYUDOZJUZBE-QGZVFWFLSA-N 300.483 5.303 30 10 DKEE in-vitro N#C[C@H]1CCCCC[C@H]1Nc1cc(Cl)c(Cl)cc1Cl 110155380 NRKMGKKHIMBAHG-NOZJJQNGSA-N 317.647 5.531 30 10 DKEE CCCCCCCCCC[C@@H](CSC(C)C)NCCC 115644736 RWJHTQSJJISTHE-SFHVURJKSA-N 301.584 6.027 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1nc2ccccc2s1 117691581 KBHMGAHMQXLSOU-OAHLLOKOSA-N 305.487 5.340 30 10 DKEE Cc1c(Cl)cccc1Nc1cc(Br)ccc1C#N 123060807 LOOYUGICHUZNAB-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(Cl)c(Nc2cc(Cl)ccc2C#N)cc1Cl 128266386 MRVCEWSYRWUNLE-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CC(C)c1ccc(SCc2ccc(C#N)cc2Cl)cc1 163424345 BUXICZGMJJVKLB-UHFFFAOYSA-N 301.842 5.627 30 10 DKEE CCCCCCCCCC(=O)c1cc2ccc(F)cc2s1 164696272 MGYREJJMXRBZOX-UHFFFAOYSA-N 306.446 6.364 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(C)c(Br)c(C)c1 164787333 HKQLBZJHLYWDSZ-INIZCTEOSA-N 324.306 5.463 30 10 DKEE CCCCCCCCCCC[C@@H](CCCC(F)(F)F)NC 229031820 CIQCWDUNTMRMIW-INIZCTEOSA-N 309.460 6.228 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(C)cc1Br 233608180 IHGMXIMYYSFSHS-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=CCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NC 234426717 BOACKJLZUFRYHK-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE CCCCCCCCNC[C@H](c1cccs1)N1CCCCC1 257671086 ZRQBNUHZLYIOCB-GOSISDBHSA-N 322.562 5.225 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cccc(OCc2ccccc2)c1 305752622 WJBDLBAXMKMOCW-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE CCCCCCCCC[C@@H](O)c1cscc1C(F)(F)F 312822565 LKBBDUMYECJRSM-CQSZACIVSA-N 308.409 5.941 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2cc3cscc3s2)CC1 693993145 IWQUBIQRRGDSBR-AWEZNQCLSA-N 305.468 5.106 30 10 DKEE CC/C(=N\OCc1cccc2ccccc12)c1ccc(C)cc1 821218440 QRELBOVSIPLXED-QURGRASLSA-N 303.405 5.479 30 10 DKEE Fc1cccc(-c2cccc(OC(F)F)c2C(F)(F)F)c1F 1848363128 SYPWPORKWIODPK-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)[C@H]1CCC[C@H]1C#N 1915376859 CTICMRSCAQNXHK-NJAFHUGGSA-N 310.466 5.004 30 10 DKEE CCCCCCC[C@@](C)(N)C[C@@H](C)COCc1ccccc1 1919504654 LKPYMEJOTUTKCC-UYAOXDASSA-N 305.506 5.307 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccccc1C(C)C 1922064589 GDKSGTWPHIJUOQ-JOCHJYFZSA-N 323.480 5.234 30 10 DKEE C=CCCCCC[C@H](O)c1c(C)sc(C)c1Br 1948471552 YOTJRGOOBIWJTC-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE C=C(C)C[C@H](NCCC)c1c(C)sc(C)c1Br 1948480653 NINTVPOKIPVJRO-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(Br)c(C)s1 2009482179 OYIOJDUUCLPFOX-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CCCCCC#CC[C@H](O)c1cccc(OCc2ccccc2)c1 2024338955 RPVPRZUSJCJOMC-QFIPXVFZSA-N 322.448 5.273 30 10 DKEE C=CCCCC[C@H](NCC)c1ccc(Br)c(C)c1 2059113851 DNXLOYJNYSOMDA-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cc(Cl)sc1Cl 2074835027 KPMHBYFHPPURDZ-AWEZNQCLSA-N 302.270 5.708 30 10 DKEE N#Cc1sc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1Cl 2080380917 HSPPEOQXBVTHAO-UHFFFAOYSA-N 323.126 5.007 30 10 DKEE C#CCCC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107948929 LYHKTLNXEBHSIN-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE CCCC[C@@](C)(C#N)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2108209509 ZYOQMJISDJJSLL-KBPBESRZSA-N 320.647 5.400 30 10 DKEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(Cl)cc1F 2151927442 GRMDACFHXFKTHW-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCC[C@H](O)[C@H](NCC)c1cc(Cl)sc1C 2154425515 OLVGXSXTJCDBNI-GOEBONIOSA-N 317.926 5.082 30 10 DKEE CCCCCCCCC[C@H](O)[C@H](NC)c1csc(Cl)c1 2154432311 CEZPXURZVJBKFV-GOEBONIOSA-N 317.926 5.164 30 10 DKEE N#Cc1c(Cl)cccc1Nc1ccccc1SC1CC1 2158412994 KZCGNLKRWIHSDB-UHFFFAOYSA-N 300.814 5.210 30 10 DKEE CCCCCCCCCCN[C@H]1CC[C@@H](P(C)(C)=O)C1 2160799476 AYFLASCZAVTFTP-DLBZAZTESA-N 301.455 5.261 30 10 DKEE C=CCC[C@H](C)[C@H](N)c1ccc(-c2ccccc2Cl)s1 2164005871 GNLABPGHQUROID-SJCJKPOMSA-N 305.874 5.671 30 10 DKEE CCCCCCCCCCN[C@H](C)C(F)(F)C(F)(F)F 2182462915 SUDTZNZHAGSVBX-GFCCVEGCSA-N 303.359 5.303 30 10 DKEE CCCCCCCCCN(C)[C@@H]1CC[C@H](P(C)(C)=O)C1 2195536986 JNOGNGDPVPPFKE-SJORKVTESA-N 301.455 5.213 30 10 DKEE C#CC[C@@H](C)CC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2196824495 XASBFKPRADNQIX-GFCCVEGCSA-N 302.826 5.301 30 10 DKEE C=CC1(C[C@H](N)c2cc(Cl)cc(C(F)(F)F)c2)CCC1 2200837353 CXTHXZOVPPWLGX-ZDUSSCGKSA-N 303.755 5.105 30 10 DKEE CCCC#CC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203968464 AXFQSURSYSSSID-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1cccc(Br)c1 2227274190 JOGITPIDFLXCMH-QGZVFWFLSA-N 324.306 5.540 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2227509245 QZRNZHIQVGOPJJ-IUODEOHRSA-N 300.273 5.116 30 10 DKEE C=C[C@@H](CCCCC)Oc1nc(Cl)nc2sc(C)cc12 2239502154 ILGPUDGNNANWPC-NSHDSACASA-N 310.850 5.167 30 10 DKEE CC(C)(C)C#CC=CCN(CCC(F)(F)F)Cc1ccccc1 2243714618 MMAYNYJLYJRSTG-UHFFFAOYSA-N 323.402 5.047 30 10 DKEE CCC#C[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265969411 NVZLPRLUOBFULY-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE CC(C)(C)C#CC=CCNc1cc(Cl)c(Cl)c(Cl)c1 2268753085 SDCJAWLUBBNXFT-UHFFFAOYSA-N 316.659 5.664 30 10 DKEE C=CCCCCCCCC(=O)c1nccc(Br)c1C 2272803741 ONRRZIFLWWHTBV-UHFFFAOYSA-N 324.262 5.252 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2287464695 BSEZGSWIQLFHLY-KRWDZBQOSA-N 314.300 6.089 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)c(O)c(Cl)c1 2296282996 BEQLPBAZGWJWRX-OAHLLOKOSA-N 318.288 5.840 30 10 DKEE C=CCC(CC=C)Nc1cc(Br)c(Cl)cc1C 2301014401 CADWHRSXACHMAC-UHFFFAOYSA-N 314.654 5.344 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Cl)c(Cl)cc1Cl 2344338994 FLLRLAKWXSMIBJ-CABCVRRESA-N 320.691 5.900 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C(F)(F)F)s1 2362244738 YRDLZSWSCMQKDE-QJPTWQEYSA-N 303.393 5.162 30 10 DKEE C=C1CC(CNC(C)C)(Cc2ccc(Cl)c(Cl)c2C)C1 2364223680 YSLATLQNMFRFJD-UHFFFAOYSA-N 312.284 5.179 30 10 DKEE C[C@H]1CCC[C@](C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2366846067 KJXPUNFIOZTRPR-GUYCJALGSA-N 313.268 5.712 30 10 DKEE C[C@H]1CCC[C@@](C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2366846068 KJXPUNFIOZTRPR-SUMWQHHRSA-N 313.268 5.712 30 10 DKEE CCOc1ccc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 3185183 PXHUEJKVEQLIQW-UAKSEAGPSA-N 320.436 5.099 30 10 DKEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 37346186 UBQHSPRKMQPJFO-SMDDNHRTSA-N 312.240 5.386 30 10 DKEE CCCCCCCCCn1c(C(F)(F)F)nc2ccccc21 102184347 NRXXNLFETVONLT-UHFFFAOYSA-N 312.379 5.806 30 10 DKEE CCCCCCCCCNCc1ccc(C(F)(F)F)cc1 105839603 YIAGXIOWNDCWGR-UHFFFAOYSA-N 301.396 5.546 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1C(F)(F)F 110156098 YQVUMBHXWRGQDN-MFKMUULPSA-N 316.754 5.243 30 10 DKEE CCCCCCCOC(=O)c1cc(Cl)nc2ccccc12 113645629 VIRRWTXINYTJGV-UHFFFAOYSA-N 305.805 5.015 30 10 DKEE CCCCCCC[C@H](NC)c1cc(C(F)(F)F)ccc1F 125032046 SDBHUPOAAGZSID-HNNXBMFYSA-N 305.359 5.466 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccnc(Cl)c1 156200732 JVILQOYATYUNHN-KRWDZBQOSA-N 311.897 6.079 30 10 DKEE CN(Cc1ccc(Cl)s1)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 217940731 HVHNPVWPUAAHKH-NFAWXSAZSA-N 324.921 5.188 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(C)c2)C1 222881355 XGRHXMAZAABOOI-NUJGCVRESA-N 301.499 5.832 30 10 DKEE CC(=NOC(=O)Nc1ccccc1)c1sc2ccccc2c1C 254485127 GHYSSHUTYYSGAR-UHFFFAOYSA-N 324.405 5.182 30 10 DKEE CCCCCCCCNC[C@@H](c1ccccc1)N(CC)CC 257627564 BPNSTNCABGXMQH-FQEVSTJZSA-N 304.522 5.020 30 10 DKEE CCCCCCCC[C@H](NN)c1cscc1C(F)(F)F 383537902 CRFCMLWACOOMET-ZDUSSCGKSA-N 308.413 5.022 30 10 DKEE CCCCCCCCC[S@](=O)Cc1cccc(Cl)c1 526854595 YECYFMAYTIHZMN-IBGZPJMESA-N 300.895 5.339 30 10 DKEE COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(Cl)c1 587902111 KEXSBTSZWLIPAJ-UHFFFAOYSA-N 311.595 5.055 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@H](C)CO 1914199839 MKKGJGUCLOTMGL-LJQANCHMSA-N 305.506 5.010 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)C(CCC)CCC 1922081168 VHDHKUBESNCFNC-NRFANRHFSA-N 317.517 5.344 30 10 DKEE N#Cc1cc(Cl)ccc1N(Cc1ccccc1)C1CCCC1 1932026760 BBXURYXPGZATNX-UHFFFAOYSA-N 310.828 5.161 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Br)cc1)C(C)(C)C 2035436568 YVUWLWZUEMNVNJ-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE CCCCCCCCOC[C@H](NC)c1ccc(Cl)s1 2089269046 LVRHOCMQJIWLEY-ZDUSSCGKSA-N 303.899 5.039 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cc(C(F)(F)F)cs2)C1 2168511295 QJDKWECCMKSMCA-CQSZACIVSA-N 304.377 5.095 30 10 DKEE C=CCCCCCCCCNCc1ccc(Cl)c(Cl)c1 2207451958 ZDQDMNXHRCZWLV-UHFFFAOYSA-N 314.300 6.000 30 10 DKEE CCCCCCCC[C@](C)(CN)N(Cc1ccccc1)C1CC1 2212637264 CKXUAQFERNPDJY-OAQYLSRUSA-N 316.533 5.119 30 10 DKEE C=C([C@H](NCC)c1scc(Br)c1C)C(C)(C)C 2213775813 VSOUPQIWUYSEHF-LBPRGKRZSA-N 316.308 5.072 30 10 DKEE C=CCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1CC 2227280990 PVCADIJLLGPIEQ-CVEARBPZSA-N 300.533 5.099 30 10 DKEE Cc1cc(C)c(CN(C)CCCCCCCCCS)s1 2234256926 VVFPHRPVQOEOAL-UHFFFAOYSA-N 313.576 5.457 30 10 DKEE CC#CCCC[C@H](Cc1cccc(Cl)c1Cl)NCCC 2235755733 FJUUJRFSRXOFTE-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE CCCCCCC[C@@H](N)c1cc(F)cc(Br)c1F 2260013819 MFZGNQBCJVSYST-CYBMUJFWSA-N 320.221 5.088 30 10 DKEE C=CCCCCCCCS[C@@H](c1cccs1)[C@@H](N)CC 2287096779 OUKVNLBRYMVHQW-DOTOQJQBSA-N 311.560 5.786 30 10 DKEE CC(C)c1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2294300088 QRZBTBQLRNCTRX-UHFFFAOYSA-N 319.231 6.013 30 10 DKEE CCC(CC)(CC)COCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2301960091 ZHIGXEYDNRLUSQ-UHFFFAOYSA-N 324.314 5.187 30 10 DKEE C=CCC(C)(C)C(=O)c1cc(Br)cc(C(C)C)c1 2321176995 KDQKKEYWPASPHG-UHFFFAOYSA-N 309.247 5.358 30 10 DKEE C=C1CC([C@H](NCCC)c2cc(Cl)c(C(F)F)s2)C1 2345150197 VZMGJJSEXBMRMF-LBPRGKRZSA-N 305.821 5.346 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1sccc1C)N2 14456039 RDFUTLUEYRFDJM-BXWFABGCSA-N 323.461 5.448 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cc(Cl)c(C)cc2C)cc1 83194212 YEGFAPIKNRSWDJ-JXMROGBWSA-N 314.812 5.252 30 10 DKEE C[C@H](c1cccc(Cl)c1)N(C)c1cc(Cl)ccc1C#N 110258566 RENLDLXYKJJCPA-LLVKDONJSA-N 305.208 5.062 30 10 DKEE C=CC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1 169601479 ZUQKTPOJUNUQPJ-UHFFFAOYSA-N 321.509 7.188 30 10 DKEE C=CCCCCCNc1ccc(Cl)cc1Br 236055114 KOHIMMNQXILZTH-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE N#Cc1ccc(Cl)c(NCc2cc(Cl)sc2Cl)c1 312560789 OLWJBKLQFRQBGX-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CCCCCCCCC[S@@](=O)CCCOc1ccc(C)cc1 526882805 XFFUUZBJYTUSOK-JOCHJYFZSA-N 324.530 5.263 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)c(F)c1F 701655803 GFCQOMZMQGNDSR-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@]1(C#N)CCCCCC1(C)C 719202334 BCVNSGCDPUJVOW-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C[C@H]1C[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 724253078 WVGHSIVUXBVKQQ-ATCWAGBWSA-N 312.240 5.023 30 10 DKEE FC(F)(F)c1ccc(Cl)c(N=Cc2c[nH]c3ccccc23)c1 1772743397 VMGHIZZALNUICM-UHFFFAOYSA-N 322.717 5.591 30 10 DKEE CCCCOc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871399739 UYCXHSDPTBITIK-UYRXBGFRSA-N 322.404 5.099 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1cc(Cl)sc1Cl)C1CC1 1887488523 IFNBGLVDESAATJ-YPMHNXCESA-N 316.297 5.145 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 1951300858 TXUDDFHDDNTVBF-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE C=CCCC(C)(C)CN[C@H]1CCCC[C@H]1OCc1ccccc1 1977459297 CQMYRFUWLGSLPA-VQTJNVASSA-N 315.501 5.096 30 10 DKEE C=CCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 1978877794 RKDMLZBHAPEYHB-SLFFLAALSA-N 310.485 5.029 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@H]1CCCc2ccccc21 1990797182 OESZSSNMMXZAQW-OAQYLSRUSA-N 305.465 5.185 30 10 DKEE CCC#CC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2005837544 FPZQAIQRYJBCLF-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE CC[C@H]1CC=C(C(=O)c2scc(C)c2Br)CC1 2010763845 LNIPCNQSHKOWCW-JTQLQIEISA-N 313.260 5.138 30 10 DKEE CCCCCCC[C@]1(C)Nc2cccc(Br)c2O1 2027920747 QLQTXNNYXLKGCI-OAHLLOKOSA-N 312.251 5.330 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1Cc1cccc(C(C)C)c1 2070133642 DXXPHXWTEYWOHM-UHFFFAOYSA-N 306.453 5.084 30 10 DKEE C=C(C(=O)c1ccc2cc(Br)ccc2c1)C(C)(C)C 2096667328 GPLRDOUCFXPHCM-UHFFFAOYSA-N 317.226 5.387 30 10 DKEE C=C(CNc1ccc(Br)c(C)c1C)c1ccccc1 2098638624 VFRITMVXOWHIJC-UHFFFAOYSA-N 316.242 5.191 30 10 DKEE C#CCCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2107823300 SGCYKOZISBTUAE-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1c(Cl)ccc(Cl)c1F 2139416534 UWZYEOJKWSVAHV-MFKMUULPSA-N 304.236 5.385 30 10 DKEE CCC[C@H](C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C(C)C 2144872967 KRTMKNVLUNYKKM-GXTWGEPZSA-N 312.240 5.242 30 10 DKEE CSc1ccc([C@@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)s1 2157096938 AOEZSYQSCUNQQH-ZBFHGGJFSA-N 309.500 5.004 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)c(F)cc1F 2179364931 HXYNEGBVZFIVGT-INIZCTEOSA-N 303.824 5.629 30 10 DKEE CC#CCCCC[C@@H](NCC)c1csc(C(F)(F)F)c1 2196174678 QBQMTRINHPDJNT-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=C1CCC(C[C@@](O)(CC)c2ccc(Cl)c(Cl)c2)CC1 2196507036 YWAKYAFGXCGNQX-KRWDZBQOSA-N 313.268 5.728 30 10 DKEE CSc1cccc(Nc2c(C)cc(Cl)cc2Cl)c1C#N 2201082269 OFOVONBWOQEYBH-UHFFFAOYSA-N 323.248 5.639 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cc(F)c(Cl)cc1Cl 2206892712 UGZOQMQVPJDJJY-INIZCTEOSA-N 318.263 5.833 30 10 DKEE CCCCCCCCCCCC(=O)c1ncc(Cl)s1 2229592804 QVDDFGUIJSXSTB-UHFFFAOYSA-N 301.883 5.900 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1ncc(Cl)s1 2237972049 FBAZHPNRLQGCCT-CQSZACIVSA-N 316.942 5.978 30 10 DKEE CCCCCCCC[C@](C)(N)c1sc(Cl)cc1OC 2278290091 JJFDCAFQNXVTHU-HNNXBMFYSA-N 303.899 5.335 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1cccc(Cl)c1Cl 2289712289 LYHWHWXLUWUKGS-INIZCTEOSA-N 310.268 5.228 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1)C=Cc1ccc(Cl)cc1 2293038355 KKVCZNHIJHTDFP-UHFFFAOYSA-N 303.188 5.289 30 10 DKEE C=CCCCCOc1c(Cl)cc(CNC(C)C)cc1Cl 2296250973 NAWWYSFOWLBABH-UHFFFAOYSA-N 316.272 5.227 30 10 DKEE C=CC[C@@H](C)S[C@H](C)C(=O)c1ccc(Cl)cc1Cl 2313694350 DXGDHQAIZSMHFD-NXEZZACHSA-N 303.254 5.262 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)cc(F)c1Cl 2344386286 VRYKNAVDHIRNMT-AWEZNQCLSA-N 304.236 5.385 30 10 DKEE OCCCCCCCC#Cc1cc(Cl)cc(Cl)c1Cl 2353041942 NCFUDPNLUXJRGE-UHFFFAOYSA-N 319.659 5.331 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1c(Cl)ccc(F)c1Cl 2362234477 HFBKEROKAWLKHY-GYSYKLTISA-N 316.247 5.528 30 10 DKEE C=CC[C@H]1CCC[C@@H]1NCCCc1cc(Cl)cc(Cl)c1 2366831820 BKMMNRXRJVNDLL-YOEHRIQHSA-N 312.284 5.260 30 10 DKEE CCCCCCCC[C@@H](NC)c1csc(C(C)(C)F)n1 2367796851 KJAFLXSOYRAWEH-CYBMUJFWSA-N 300.487 5.359 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@@H](C)c1ccc(Cl)cc1Cl 37089332 ZITHPXKIEHHQRZ-JTQLQIEISA-N 323.198 5.486 30 10 DKEE CCCCCCCCCCCCSc1ccc(C=O)cc1 78237304 AFNHOPNKRUSAAO-UHFFFAOYSA-N 306.515 6.512 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Nc2cccc(Br)c2)CC1 86914182 GRNNNKSAMQTVAH-BBRMVZONSA-N 321.262 5.114 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCC[C@H](CCC)CC1 86944003 OIRSHDKLQHFHIH-IRXDYDNUSA-N 303.515 6.126 30 10 DKEE CCCCCCCCNc1ccccc1OC[C@@H]1CCCO1 100041401 XCJBCUPDSYCACE-KRWDZBQOSA-N 305.462 5.017 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2 226834098 YZHDEBJQFFZIAQ-ZRCGQRJVSA-N 322.411 5.538 30 10 DKEE Cc1ccc(Cl)cc1Oc1ccc(C#N)c(Br)c1 228202790 PDZYIYMYXFDIHA-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC[C@@H]1CNc2c(Cl)cc(Cl)cc21 232939011 OGZWCFUWSOSIAY-GFCCVEGCSA-N 300.273 6.253 30 10 DKEE Cc1ccc2c(c1)C(=Nc1ccccc1)c1cc3ccccc3nc1-2 254482774 CZDYWVKBJFNKMS-UHFFFAOYSA-N 320.395 5.693 30 10 DKEE N#CC1([C@@H](O)c2cc3cscc3s2)CCCCCCC1 693994593 MRLAVWPTJHRKBU-HNNXBMFYSA-N 305.468 5.250 30 10 DKEE CSc1cccc2c(CC#N)c(SC(F)(F)F)sc12 725318445 KDCFHTRICHZFNA-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCCOc1ccc(C#Cc2ccc(Cl)cc2Cl)cc1 1614827850 HKGSJHPCFMMJBG-UHFFFAOYSA-N 305.204 5.182 30 10 DKEE C=CCCCCC[C@](C)(N)c1ccc(OCc2ccccc2)cc1 1948984318 XXTTVTCPQIYWBO-QFIPXVFZSA-N 323.480 5.576 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC2(CCC2)C1 1976301790 DTSDYCPBZSZCBV-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CC1(C)OB([C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C2CCCCCC2)OC1(C)C 1993064757 RNDMEJCRQWNWRC-QBPKDAKJSA-N 304.283 5.075 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(C)c(Br)s1 1996474656 QQKPFWISRRSQOB-GXFFZTMASA-N 316.308 5.072 30 10 DKEE O=C(C=Cc1cccc(Cl)c1Cl)c1cc2ccccc2o1 2053612231 BWIUSXNWCKEGRE-UHFFFAOYSA-N 317.171 5.636 30 10 DKEE C=C1CCC(C[C@@](C)(N)c2cc(Cl)sc2Cl)CC1 2075818971 CINQRMZTLZFXID-CQSZACIVSA-N 304.286 5.365 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(C)c(Br)cc1C 2081074154 PLNSHCHSPCKVJO-MRXNPFEDSA-N 310.279 5.073 30 10 DKEE C=CCCCCCCNc1cc(Br)ccc1OC 2085850060 RCUIIAXPVMMELE-UHFFFAOYSA-N 312.251 5.006 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccc(Br)c(F)c1 2117025335 QVICMEFCKVDADT-INIZCTEOSA-N 324.237 5.241 30 10 DKEE CC(F)(F)[C@@H]1CCCN(CCCCCCCCCS)C1 2159201184 CMYNOYAJCRRIFY-OAHLLOKOSA-N 307.494 5.014 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cscc2C(F)(F)F)CC1 2181639020 KJAFSRYCGMKDPS-JTQLQIEISA-N 302.361 5.332 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(SC(F)(F)F)cc1 2196482875 UCDQLDZSWULFNM-CQSZACIVSA-N 304.377 5.468 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](N)c1ccc(Cl)cc1Cl 2207459560 WOQWLCZUBIIBHA-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C=CCCC[C@@H](NCC)c1sc(C)c(Br)c1C 2213728241 JMLYUYFKCGWBGY-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCCC[C@](C)(O)C(=O)c1ccc(Cl)s1 2231945813 JZIIZCBCGYIEOP-HNNXBMFYSA-N 302.867 5.086 30 10 DKEE C=C[C@H](CC)OC[C@@H](NCCC)c1c(Cl)cccc1Cl 2239492341 JDUXADQSGDGOBE-IUODEOHRSA-N 316.272 5.015 30 10 DKEE CCCCCCCCCCO[C@H](C)CC(C)(C)C(N)=S 2239504850 UJVYAXAHSJIRNI-OAHLLOKOSA-N 301.540 5.235 30 10 DKEE CCCCCCCC[C@H](C)Nc1c(C)cc(Cl)cc1Cl 2240658851 XRWBBOBXUQZBPA-AWEZNQCLSA-N 316.316 6.853 30 10 DKEE CC1(C)CCCC[C@]1(C)Nc1c(Br)cccc1C#N 2269733019 DYLBHKHFNLGQGA-INIZCTEOSA-N 321.262 5.092 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1csc(Cl)c1OC 2271799599 UZMSQZPDHSZMIN-CYBMUJFWSA-N 301.883 5.197 30 10 DKEE CCCCC#CC[C@H](NCCC)c1csc(Cl)c1OC 2284270501 AFMATKMUFFCQHN-AWEZNQCLSA-N 313.894 5.035 30 10 DKEE C#CC[C@H](C[C@@H](NC)c1cc(Cl)c(Cl)cc1C)C1CC1 2286479011 PITYZWHVSCAVTF-CXAGYDPISA-N 310.268 5.002 30 10 DKEE CCCCCCCCC[C@](C)(O)c1snc(OC)c1Cl 2295602489 BHFZBZSTXZCWTH-HNNXBMFYSA-N 319.898 5.153 30 10 DKEE CC(C)c1ccc(C(=O)C=CNc2cccc(C(C)C)c2)cc1 2296876174 ZUZMTSMUKLPUEU-UHFFFAOYSA-N 307.437 5.742 30 10 DKEE C=CCC(CC=C)Sc1nc(Cl)nc2sc(C)cc12 2335181357 SDKQZJCJKJDVFG-UHFFFAOYSA-N 310.875 5.266 30 10 DKEE Cc1c(Cl)ccc(Nc2ccc(C#N)cc2Cl)c1Cl 2340142271 WXBRRWHNLFXTQJ-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2344469092 RVCCDWQRRAZRNF-HOTGVXAUSA-N 301.257 5.279 30 10 DKEE Cc1cc(CN(C)C[C@@](C)(CS)C(C)(C)C)sc1Cl 2352167549 VAXJVYMPAUMGEF-HNNXBMFYSA-N 319.967 5.124 30 10 DKEE C#CCCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2377325000 ASZOXVOMRIYEKN-MRXNPFEDSA-N 316.247 5.367 30 10 DKEE CCCCCCC[C@H](Cc1cc(F)c(Cl)cc1Cl)NC 2377400278 CILXVAXSTRBVBH-CYBMUJFWSA-N 320.279 5.624 30 10 DKEE COc1cccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)c1 584477 LEGZRLXYZNJIHO-QGMBQPNBSA-N 314.599 5.406 30 10 DKEE O=C(/C=C\c1ccccc1OCc1ccccc1)c1cccs1 33409451 AVFMWTWKEKATEN-SEYXRHQNSA-N 320.413 5.223 30 10 DKEE CC[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 36973345 MVUGWDSNPBQXMF-INIZCTEOSA-N 305.208 5.428 30 10 DKEE N#C[C@@H](CSc1cc(Cl)ccc1Cl)c1ccccc1 80800602 LYOVYBKLMSTAEI-LBPRGKRZSA-N 308.233 5.393 30 10 DKEE SCC1(COc2cc(Cl)ccc2Cl)CCCCC1 94582522 XTGXWXSTLAHTQW-UHFFFAOYSA-N 305.270 5.253 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2ccc(CC)cc2)cc1 103029126 FRIGDLWYZJYTMB-PFONDFGASA-N 323.436 5.236 30 10 DKEE CCCCCCCC[C@H](N)Cc1c(Cl)cccc1Cl 109733007 FJYKRBRTGZVWNE-ZDUSSCGKSA-N 302.289 5.614 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(C)cc(Br)c1 125720116 ZRCNMXZQMAIHHD-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE N#Cc1ccc(Cl)c(N[C@H](c2ccc(Cl)cc2)C2CC2)c1 127778239 XPELSQSOPXUTID-KRWDZBQOSA-N 317.219 5.428 30 10 DKEE CCSc1cccc(Nc2ccc3sccc3c2)c1C#N 136673927 WWWNKYMAGAAKQU-UHFFFAOYSA-N 310.447 5.629 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H]1Cc2ccccc2S1 139565736 UHTDNQNRSJHOON-MJGOQNOKSA-N 305.531 5.432 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cccc(F)c1Cl 162276228 VKGOIKZWGJWGCI-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE CCSc1cccc(N[C@@H](C)c2ccc(Cl)cc2)c1C#N 167583069 LUYLTYNPNDLYDA-LBPRGKRZSA-N 316.857 5.497 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cccc(Br)c1Cl 229756943 NDXPMQHGDMEQNK-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCc1nc(C)n(Cc2ccccc2)c1N 304060321 DFYLQAABSXQOKS-UHFFFAOYSA-N 313.489 5.115 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(F)ccc3Br)C[C@@H](C1)C2 697304302 JSXAWVBDIZVWQX-ONXXMXGDSA-N 324.237 5.135 30 10 DKEE CCCCCCCCCC[C@@H](CCCC)Oc1cccc(O)c1 725412172 NTIHZLXLIGUZKO-HXUWFJFHSA-N 320.517 6.861 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)c(F)c1C 829198224 ZHFYTFKFWIYTDV-UHFFFAOYSA-N 315.226 5.440 30 10 DKEE CCCCCCCCCN(C)Cc1cc(C)c(Cl)s1 1883431970 KCEHMZFBJYVTQQ-UHFFFAOYSA-N 301.927 5.892 30 10 DKEE C=C(COCc1ccccc1)[C@@H](O)CCCCCCCCC 1922113523 XIZRXKVKEJCUPA-FQEVSTJZSA-N 304.474 5.261 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)CCCOCc2ccccc2)CC1 1985308832 ALTMWIKYGZHLKJ-LJQANCHMSA-N 314.469 5.325 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2ccc(Br)s2)CC1 2010784489 ZAPOXJCTUCYWNE-SNVBAGLBSA-N 313.260 5.076 30 10 DKEE C=CCC[C@H](C)Oc1cc(Br)cc(C(F)(F)F)c1 2040517932 BAFWRHUXISBRTH-VIFPVBQESA-N 323.152 5.201 30 10 DKEE CC(C)=CC(=O)c1ccc(-c2ccccc2Br)s1 2045674383 XTWCNWDENFAWSA-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1ccc(Br)c(F)c1 2046001353 ZYPFPLILUJIGTF-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCC12CCC2 2047957363 ZKIPKWHOYOIJAN-LRDDRELGSA-N 304.231 5.027 30 10 DKEE CC#CC[C@H](NCC)c1ccc(-c2ccccc2Cl)s1 2164105031 ODNOGBKJWFQLOZ-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=CC1(C[C@H](O)c2ccc(C(F)(F)F)c(Cl)c2)CCC1 2168028529 NCBKNMZCVJNLAH-ZDUSSCGKSA-N 304.739 5.139 30 10 DKEE CCCCCCCOc1c([C@H](C)NC)ccc(Cl)c1F 2176951249 SISYWRYKGGUVTI-LBPRGKRZSA-N 301.833 5.109 30 10 DKEE C#Cc1ccc(N[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc1 2177231871 JQFURGPDNZSNAD-JTQLQIEISA-N 308.183 5.287 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2ccsc2C(F)(F)F)CC1 2181639182 AQYCKDAFKYMEJR-SNVBAGLBSA-N 302.361 5.332 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 2182514041 WDEOJLSFRATOSF-CYBMUJFWSA-N 309.734 5.273 30 10 DKEE N#C[C@]1(Cc2cscc2C(F)(F)F)CCCC(F)(F)C1 2184840762 HQEXFRSDCIVTND-NSHDSACASA-N 309.303 5.029 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1cc(Cl)ccc1Cl)C1CC1 2196838239 XLLPQEXKEHBDPU-GUYCJALGSA-N 310.268 5.084 30 10 DKEE CCCCC#CC[C@H](NCC)c1csc(C(F)(F)F)c1 2203785835 BFEJKZPSHPXXAF-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCC[C@](C)(N)C(F)(F)C(F)(F)F 2207436346 KHBLIRMHJFRBLM-LBPRGKRZSA-N 301.343 5.208 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2217664846 DZTSQVRIVFHPEP-NOZJJQNGSA-N 306.664 5.510 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cccc(Br)c1Cl 2250131196 HDUUBOAZILKCHG-CYBMUJFWSA-N 316.670 5.239 30 10 DKEE C=C(C)CCCCC(=O)c1cccc(Br)c1Cl 2250142431 QNVGWKSSLUTCIX-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE C=CCCCCCCNc1cc(F)cc(Br)c1C 2259596603 UNWWGWJNLFLVIB-UHFFFAOYSA-N 314.242 5.445 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(N)c1cc(Cl)sc1Cl 2268728356 NIWWKFFJLXEWFV-HNNXBMFYSA-N 316.297 5.225 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281534973 BADOPEYDFBBURL-ABAIWWIYSA-N 314.256 5.009 30 10 DKEE CCCCCCCCC[C@@H](CCCSC)OCCCN 2293462974 IUVOOVOGQLBMQS-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE CCCCCCCCCC[C@H](CCCSC)OCCN 2294563657 VWBJUSCXOMGJHN-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE COc1c(Cl)cc(Cl)cc1C(=O)C=Cc1ccc(C)cc1 2295967844 CAIMEVVKJSUBOW-UHFFFAOYSA-N 321.203 5.207 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@H](C)NC)c(C)c1C 2302224299 DLBMCRHJNOIDIK-IBGZPJMESA-N 322.496 5.167 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1c(C)ccc(Br)c1F 2321176270 AVRFBOVMTKXNQR-HNNXBMFYSA-N 313.210 5.072 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1C 2339012431 BGXSMWLEWDOPKW-HNNXBMFYSA-N 300.273 5.828 30 10 DKEE Cc1cccc(N[C@H](C#N)c2ccc(Cl)c(Cl)c2C)c1 2366090375 SMWDJNFNVTYWKJ-OAHLLOKOSA-N 305.208 5.287 30 10 DKEE N#C[C@@]1(Cc2cc(F)c(Cl)cc2Cl)CCCC12CCC2 2377394326 INFDZVYSFVNMGP-INIZCTEOSA-N 312.215 5.539 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 36930602 PCMRZFZRWZDRMZ-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE C(=N/N(c1ccccc1)c1ccccc1)\c1ccc2cccnc2c1 59147465 FDGKAIANYAJSAP-JJIBRWJFSA-N 323.399 5.407 30 10 DKEE C[C@@H](Nc1c(Cl)cccc1Cl)c1ccc(OCC#N)cc1 88168363 NLAAMKMJVHJVSY-LLVKDONJSA-N 321.207 5.069 30 10 DKEE CCCCCCCCOCc1ccc(Br)s1 109315228 KXNGHQMUOYZLGC-UHFFFAOYSA-N 305.281 5.388 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)cc1C(F)(F)F 110156101 YQVUMBHXWRGQDN-GXFFZTMASA-N 316.754 5.243 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(Br)cc1F 124709603 NZEZPADWWRQGQL-HNNXBMFYSA-N 316.258 5.339 30 10 DKEE CCCCCCCCOC(=O)c1cc(N)cc(Cl)c1Cl 227052211 HJEHYFCMGIBHMY-UHFFFAOYSA-N 318.244 5.093 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H]1SCCS[C@@H]1CC 228161129 JNWQLGHACCUDKI-GVDBMIGSSA-N 317.608 5.342 30 10 DKEE Cc1ccc(Cl)c(N=C2N[C@](C)(C(C)C)CS2)c1Cl 398589965 RZFKOSQTMMQJPM-AWEZNQCLSA-N 317.285 5.040 30 10 DKEE C=CCCC[C@H](NCC)c1ccccc1NC(=O)OC(C)(C)C 406784977 BBRWUNDLMFLFGB-INIZCTEOSA-N 318.461 5.041 30 10 DKEE Cc1c(Cl)cc(N[C@@H](CC#N)c2ccccc2)cc1Cl 690312960 VYHSQSJDENXFKD-INIZCTEOSA-N 305.208 5.369 30 10 DKEE CC[C@@H](C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698858273 MQKNJMJKOSTUNR-RHSMWYFYSA-N 316.445 5.065 30 10 DKEE CCCCCCCCCCCC(=O)NC[C@H](C)c1ccccn1 1865984971 QJLJDGIKRYNPPP-SFHVURJKSA-N 318.505 5.222 30 10 DKEE CCCCCCCCC[C@H](N)c1nc(Br)cs1 1950103298 XLEBHNKRPPALJV-NSHDSACASA-N 319.312 5.046 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)C1COC1 1995318754 HFVBJADTMRIHDV-UHFFFAOYSA-N 315.501 5.194 30 10 DKEE C=CC1(Cn2ccc3cc(OCc4ccccc4)ccc32)CCC1 2002634014 QXFBQWSGANWBGL-UHFFFAOYSA-N 317.432 5.577 30 10 DKEE SC[C@H](CSc1ccc(Cl)cc1Cl)CC1CC1 2003367617 MPOAUBNJTLPSIE-SNVBAGLBSA-N 307.311 5.432 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2cc(Cl)c(Cl)s2)CC1 2098752183 OTHRAFVJRAIXDU-LLVKDONJSA-N 318.269 5.198 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2102109895 BZDNAVCMLZPUDX-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107939025 DYICGOQOQSEILU-ZWNOBZJWSA-N 318.675 5.654 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc(C)ccc2Br)C1 2125735428 JVRPFNXWQSFBIF-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE C=CCC(C)(C)COC[C@@H](NCCC)c1ccc(Cl)s1 2145511521 XBXPVJKCEVOJGP-CYBMUJFWSA-N 315.910 5.061 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cccc(Cl)c2Cl)CC1 2157120730 OZYFYHDURWRQDH-QGZVFWFLSA-N 310.268 6.036 30 10 DKEE CCCCCCCc1sc(Br)c(C(=O)O)c1C 2217309151 BBLSECMGWWHBTL-UHFFFAOYSA-N 319.264 5.030 30 10 DKEE C=CCCCCCCCOc1cc(C)ccc1Br 2220086822 GOCKWDYHGHKHMH-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE CC(C)C(C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C(C)C 2234054610 VGNMSFSFSGKIKJ-ZDUSSCGKSA-N 312.240 5.098 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)C1CC(C(F)F)C1 2241012101 ABNPXFLJIBMXSR-RUZSNYSVSA-N 309.466 5.218 30 10 DKEE C=CCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243547162 XYJNEPHZMPSUDE-MRXNPFEDSA-N 318.461 5.007 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc(Cl)ccc1Cl 2284108678 IBFKTJKNYAYQPS-INIZCTEOSA-N 310.268 5.250 30 10 DKEE CCCCCCCCC[S@](=N)(=O)C[C@H](CC)CCCC 2295795196 MNIRYNUTHIQOLY-XLIONFOSSA-N 303.556 6.000 30 10 DKEE C=CCC(CC=C)Sc1cccc(Cl)c1CNCCC 2360368902 RIVUZLORUYHHQL-UHFFFAOYSA-N 309.906 5.453 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2370491695 QRXRLRXYMLBNFC-NHYWBVRUSA-N 316.272 5.255 30 10 DKEE O=C1/C(=C\c2c(F)cccc2Cl)CCCc2ccccc21 104069 VXDMXCAUDBILGD-QBFSEMIESA-N 300.760 5.082 30 10 DKEE CCCCCCCn1cc(CNC(C)C)c2cc(F)ccc21 107020151 MMKDYSCJNADFHF-UHFFFAOYSA-N 304.453 5.249 30 10 DKEE C=C/C(C)=C\C[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(=O)O 147734065 YGBZFOQXPOGACY-RBBOJWPASA-N 302.458 5.372 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(Br)c(C)c1 159123126 LLJULGMDXCXQIF-INIZCTEOSA-N 312.295 5.508 30 10 DKEE CCCCCCCC[C@H](O)c1cc(F)ccc1Br 168358279 OOAPLMAOOACSDR-HNNXBMFYSA-N 317.242 5.372 30 10 DKEE Cc1cccc(Cl)c1Nc1ccc(C#N)cc1Br 213229789 LCESQJBDLAYBMT-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cccc(Cl)c1Cl 233609351 YICIIPVVJMJAIY-OAHLLOKOSA-N 300.273 5.781 30 10 DKEE C[C@@H](CC1CCCCC1)/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C 329290590 QRCUEDOLYZIURZ-YSVLISHTSA-N 322.493 5.083 30 10 DKEE N#CCCCCCOc1ccc2cc(Br)ccc2c1 385284790 BACLOTJWZDKDAW-UHFFFAOYSA-N 318.214 5.065 30 10 DKEE CCCCCCCC[C@@H](COCc1ccccc1)NCCC 395552463 AFUTZXAZIRTKKZ-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE CC(C)(C)c1cc(-c2cccc(Cl)c2)c(C#N)c(Cl)n1 575434221 UIOIOYAVYZGRQP-UHFFFAOYSA-N 305.208 5.225 30 10 DKEE CC[C@@H]1CCCCC[C@@]1(C#N)Nc1ccccc1Br 691072753 DCIXGQATXGPFTG-CJNGLKHVSA-N 321.262 5.114 30 10 DKEE CCCCCCCCNc1ccc(Br)c(F)c1C 694035351 KHTRBYLLNJFPNL-UHFFFAOYSA-N 316.258 5.669 30 10 DKEE CC(C)c1ccc(C=Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] 1084223560 LKOLPGYRIQABPR-UHFFFAOYSA-N 318.376 5.622 30 10 DKEE Fc1cccc(-c2cccc(C(F)(F)F)c2C(F)F)c1F 1848363153 WJNXJGHNHSLIGG-UHFFFAOYSA-N 308.196 5.588 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1Cl 1874608812 IQHNWWMPXDSMMN-VQHVLOKHSA-N 321.203 5.288 30 10 DKEE CCC(=O)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1875155822 BNSPDBUIMOXJOT-VGOFMYFVSA-N 322.404 5.022 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)CC1(C#N)CCCC1 1915396289 BDCWMNYEKPPLOU-QGZVFWFLSA-N 324.493 5.395 30 10 DKEE C=CCC[C@@H](C)[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 1975929011 RPUAKPHSKHAANG-DYESRHJHSA-N 309.453 5.042 30 10 DKEE C=CCCCCCCC(=O)c1ccccc1OCc1ccccc1 2026020725 BYWHFRMRQSOXBX-UHFFFAOYSA-N 322.448 5.975 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2cc(Cl)sc2Cl)C1 2074818605 DXAUUFZRBXQKNO-HZMBPMFUSA-N 305.270 5.383 30 10 DKEE Cc1cc(C)c([C@H](C)n2nc(C(C)C)c(C#N)c2Cl)cc1C 2079140409 LQVJILPGXAIKJL-AWEZNQCLSA-N 315.848 5.066 30 10 DKEE C=CCCCCCCCCOc1cncc(Br)c1 2086278063 DHUHHZBITCRKIK-UHFFFAOYSA-N 312.251 5.140 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1cc(Cl)ccc1Cl 2108212665 DIBCVVYIDGQBRL-GJZGRUSLSA-N 300.229 5.137 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cccc(Br)c1 2142444431 UGQBDXLOBNYQIW-KRWDZBQOSA-N 324.306 5.756 30 10 DKEE C=CCCCCC[C@H](COc1ccc(Cl)cc1Cl)NC 2152446460 OZCODTXIIMACDD-CQSZACIVSA-N 316.272 5.097 30 10 DKEE CCCCCCCCCC[C@H](N)c1c(Cl)cncc1Cl 2154655649 HUUOISIAHUZHGG-HNNXBMFYSA-N 317.304 5.919 30 10 DKEE C#CCC[C@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2164104551 JYZOBIOEUYCETD-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCCCCCCCN(C)[C@H]1CC[C@H](P(C)(C)=O)C1 2195536985 JNOGNGDPVPPFKE-IRXDYDNUSA-N 301.455 5.213 30 10 DKEE CCCCCCC[C@@H](C)NCc1cnc(C(F)(F)F)s1 2196687297 OUOZSJUJMPNVEV-LLVKDONJSA-N 308.413 5.001 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(-c2cccs2)s1 2206892317 QITDOYCVLBCFTE-AWEZNQCLSA-N 305.512 6.003 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2212372395 MIDMLQORWDCBOM-BHIFYINESA-N 311.513 5.671 30 10 DKEE C=C(Br)CCOCCCCCCCCCCCC 2223232809 CSZAHFPBYLPNLR-UHFFFAOYSA-N 319.327 6.223 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(Cl)cc1C 2264371111 GKVBWOALGHHNLZ-UHFFFAOYSA-N 301.257 6.235 30 10 DKEE C=CCCCCCCCSC[C@H](N)c1ccccc1Cl 2287190464 YQZKONUGZHDMAM-KRWDZBQOSA-N 311.922 5.600 30 10 DKEE Cc1ccc(-c2ccc(C=CC(=O)c3ccc(F)cc3)o2)cc1 2293038990 RHUNIWGGNHKPIY-UHFFFAOYSA-N 306.336 5.290 30 10 DKEE C(=Cc1ccccc1)C=Nc1ccc2oc(-c3ccccc3)nc2c1 2297532372 IMVWCLZUTNURIR-UHFFFAOYSA-N 324.383 5.911 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(C)c(Br)c(C)c1 2321126385 ADLXXJPZLSUIPA-JKSUJKDBSA-N 310.279 5.058 30 10 DKEE Cc1cc(Cl)c(C(=O)C2=CCC(F)(F)CC2)c(Cl)c1 2353124265 AYCKSJKNSVIHCP-UHFFFAOYSA-N 305.151 5.230 30 10 DKEE CS[C@@H]1CCN(CCCCCCCCCS)C2(CC2)C1 2360572742 WCDSNGKZHPYHLE-MRXNPFEDSA-N 315.592 5.007 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc(C(F)(F)F)cs1 2364088502 FKURPOIBCGNXBL-AWEZNQCLSA-N 303.393 5.186 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc2sccc2s1 2365092353 CVEDDQFMMDXRKJ-CHWSQXEVSA-N 303.496 5.053 30 10 DKEE O=C(C#CC1CCCCC1)CCc1cc(Cl)cc(Cl)c1 2366871724 HUFLOHNEJGHYGH-UHFFFAOYSA-N 309.236 5.079 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](n2nc(C)c(Cl)c2C)C1 50586662 IXDMBLSGRSIYCV-RBSFLKMASA-N 307.869 5.071 30 10 DKEE CCCCCCCCCCCC[C@H](c1ccccc1)[N+](C)(C)C 59691952 ZHCJHQVMGJHKTE-JOCHJYFZSA-N 318.569 6.745 30 10 DKEE SCC1(CSc2ccc(Cl)c(Cl)c2)CCCC1 94589588 IGAIDONPYGZFDE-UHFFFAOYSA-N 307.311 5.576 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 110216488 IUQJMNOMLMFARJ-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCCCCCC[C@H](O)CS[C@H](C)CC 115645828 GEEGHKFTLVJSQH-MSOLQXFVSA-N 302.568 6.190 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc2sccc2s1 159046958 XPLMHJICCBWTLA-AWEZNQCLSA-N 309.544 6.364 30 10 DKEE CCCCCCC[C@H](NC)c1cc(F)ccc1C(F)(F)F 164036322 AWVLNJLXTNZAKU-HNNXBMFYSA-N 305.359 5.466 30 10 DKEE Cc1ccc(Nc2ccc(C#N)c(Br)c2)c(Cl)c1 228177157 MSSFHIXNWVJCKD-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCCC(=O)c1ccc(Cl)c(Br)c1 236042726 LVENVIOMAFAVKZ-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE N#C[C@@H](CSc1cccc(Br)c1)C1CCCCC1 397311111 OEAHGWLEZQHEBT-ZDUSSCGKSA-N 324.287 5.261 30 10 DKEE C=C(C)CCC(=O)[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 406002665 ZHJNSBQCUWIDEJ-CQSZACIVSA-N 317.429 5.063 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccccc1OCc1ccccc1 715721419 ORNSLHINAUSIMC-AVRDEDQJSA-N 323.480 5.519 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccccc1OCc1ccccc1 715721422 ORNSLHINAUSIMC-GCJKJVERSA-N 323.480 5.519 30 10 DKEE Clc1ccc(N=Cc2cccc(Cl)c2Cl)cc1Cl 1084232347 OWZLMBYALYZKQY-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE C=CCCN(Cc1ccccc1)c1c(N)ccc(Cl)c1Cl 1886652501 KLPBSAYJKFRTGM-UHFFFAOYSA-N 321.251 5.158 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cccc(Cl)c1Cl 1892438831 FOSNEOIRYFQKNY-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE CC(C)(C)C#CC=CCc1ccc(OCc2ccccc2)cc1 1899882089 HIOJYBLECHXGIZ-UHFFFAOYSA-N 304.433 5.414 30 10 DKEE C=C(C)CCCCc1cc(Cl)cc(Br)c1F 1900366265 CHYGOQNXIQFGPG-UHFFFAOYSA-N 305.618 5.531 30 10 DKEE C=CCC[C@@H](C)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1936491860 YNLCPALKOQGIOC-CABCVRRESA-N 318.461 5.039 30 10 DKEE C=CCC[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2048233102 PIRBFOUJPNRAFS-NXEZZACHSA-N 306.664 5.652 30 10 DKEE C=CCCCCOc1ccc2ccccc2c1Br 2059122582 ASOQGMJTWOELRM-UHFFFAOYSA-N 305.215 5.337 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1ccccc1C1CC1 2070168661 HBOBLMLHXINUBY-OAHLLOKOSA-N 304.437 5.009 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2c(Cl)ccc(C)c2Cl)N1 2090412885 XXJACHMJIPHZEV-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2099889967 HUYIKAZWQBIRKH-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE C=CCCCCCC[C@H](NC)c1c(Cl)cccc1Cl 2141906717 XHVQTRRQQNZIKC-HNNXBMFYSA-N 300.273 5.781 30 10 DKEE CCCC(CS)(CCC)CN(C)C[C@@H](CC)C(C)(F)F 2171927514 IXYHETDIPWPTMD-CQSZACIVSA-N 309.510 5.116 30 10 DKEE C#Cc1ccc(N[C@@H](C)c2cc(Cl)cc(Cl)c2F)cc1 2177239705 UHWRRLMHLZJPTN-JTQLQIEISA-N 308.183 5.287 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cc3cscc3s2)CC1 2181642011 LMFWFOGACIVERC-CYBMUJFWSA-N 304.480 5.918 30 10 DKEE C=CCCCCCC[C@H](NCC)c1ccc(Cl)cc1Cl 2206889889 DIGJEHYTHIZYSW-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C=CCCCCCCCCC[C@H](O)C1(P(C)(C)=O)CC1 2207389990 GHBOIVLLBKYCBV-INIZCTEOSA-N 300.423 5.200 30 10 DKEE C=CCCCCCCCC[C@H](O)[C@H]1SCCS[C@@H]1CC 2207405002 QLGMQHQSZMEADO-GVDBMIGSSA-N 316.576 5.281 30 10 DKEE C=C[C@](N)(c1ccccc1)c1cc(Cl)c(Cl)c(Cl)c1 2224302729 OIYBGMXTDOIECI-HNNXBMFYSA-N 312.627 5.035 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(Cl)c(Cl)c1 2231571601 FKYAXBJKFZACIY-JSGCOSHPSA-N 300.273 5.116 30 10 DKEE CCCN[C@H](CC=CC#CC(C)(C)C)c1cc(Cl)cs1 2284103720 UFJWGYIJQMZLAD-OAHLLOKOSA-N 309.906 5.438 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1C(=N)N 2287064244 YZFRLXKMAQSJGM-UHFFFAOYSA-N 310.894 5.243 30 10 DKEE C=C(C)CCCC[C@](C)(OCCCN)c1ccc(Cl)s1 2292773113 XACTUCBMTKGMRJ-INIZCTEOSA-N 315.910 5.119 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1csc(C)c1Br 2303640477 WSTLBQQYGODYLN-QMTHXVAHSA-N 316.308 5.072 30 10 DKEE C=CCC(CC=C)N[C@H](CC)c1ccc(Br)cc1 2313649874 BNDHTUQCISNUDX-MRXNPFEDSA-N 308.263 5.011 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2321225216 OQZZXZGTNKTSRO-UONOGXRCSA-N 307.648 5.673 30 10 DKEE CCCCCCCOc1ccccc1C=NNc1ccc(C)cc1 2322930231 DSROALOMTVCJKR-UHFFFAOYSA-N 324.468 5.790 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1 2323850906 WTPMLPDFNNDWOE-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Br)cc1CC 2344347754 DWDMEMVIHORDKP-IRXDYDNUSA-N 324.306 5.264 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 2368151164 ZFEBLBOTUXMQOK-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CC(C)c1ccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)cc1 14462634 ZVYGFJIJGLOJOI-QKNQBKEWSA-N 314.432 5.508 30 10 DKEE CCCCn1c(/C=C/C(=O)c2ccc(C)cc2)nc2ccccc21 26462886 VVIAGUGZHBISFM-BUHFOSPRSA-N 318.420 5.041 30 10 DKEE c1ccc2c(c1)N/C(=N\C1CCCCC1)C1(CCCCCC1)N2 46153030 QSFYRPCPOHLAJI-UHFFFAOYSA-N 311.473 5.348 30 10 DKEE CC[C@H](C)Oc1ccccc1-c1cc(C#N)c(C(F)(F)F)o1 77086182 KWNOWAKDQDLVNM-JTQLQIEISA-N 309.287 5.014 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccc(C)c(C)c1 95810852 ZVPBVGLFEPZQCG-UHFFFAOYSA-N 317.517 5.841 30 10 DKEE C[C@H]1O[C@@H]1CCc1c(Cl)c(Cl)cc(Cl)c1Cl 107502820 QASFWKVMWKBXHD-MLUIRONXSA-N 300.012 5.020 30 10 DKEE C=C(Cl)COc1c([C@@H](C)NCCC)ccc2ccccc12 110094180 KWESIVDEYMRKPB-CQSZACIVSA-N 303.833 5.032 30 10 DKEE CC[C@@H](C)Oc1cccc(Nc2cccc(Cl)c2C#N)c1 110258086 WNFDGWGBYPJSBB-GFCCVEGCSA-N 300.789 5.133 30 10 DKEE CCCCCC[C@H](C)Oc1cc(Br)ccc1C#N 123470598 FKDNVTMHMVHQBK-LBPRGKRZSA-N 310.235 5.058 30 10 DKEE CCCCCCCCCC[C@@H](O)[C@H]1Cc2ccccc2S1 135559946 MGLGQNMTXRUJOD-IEBWSBKVSA-N 306.515 5.595 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc2c(s1)CCCC2 159046676 GWMPHITUURXBDG-KRWDZBQOSA-N 307.547 6.028 30 10 DKEE CCCCCCCCN[C@@H](C)c1cc(Cl)ccc1Cl 160786492 UWSKGSSWHWXFEO-ZDUSSCGKSA-N 302.289 6.005 30 10 DKEE CCCCCCCCCCCCCC(=NO)c1ccccc1 254448058 KCOLLAAYRLGNFV-UHFFFAOYSA-N 303.490 6.566 30 10 DKEE CCCC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1 254614473 IDRQMQVVWVAKMJ-UHFFFAOYSA-N 321.449 5.426 30 10 DKEE CCCCCCCC[C@](C)(O)c1c(Cl)cccc1Cl 400953084 QCSIHJXPAVAXHW-INIZCTEOSA-N 303.273 5.952 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc3cscc3s2)C1 693993099 IJVZZFSDBVBTAO-HFBAOOFYSA-N 305.468 5.106 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@](C)(C#N)C1CCCCC1 698891310 MQTYCCVNWNRHRC-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CCCCCCCCC(=O)N[C@@H](C)c1cc(C)ccc1OCC 1866089847 JJKVJUIMMBHPST-KRWDZBQOSA-N 319.489 5.322 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C[C@](C)(O)CC 1915188020 VZRLCPYJBYNQIY-OAQYLSRUSA-N 319.533 5.400 30 10 DKEE C=CCCCC[C@@H](O)c1cccc(NC(=O)OC(C)(C)C)c1C 1984554671 QPVQBZMFIPOFPZ-QGZVFWFLSA-N 319.445 5.122 30 10 DKEE CCc1ccc(C#N)c(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1 2015035959 OTXUOLCTJGJGQS-QGZVFWFLSA-N 320.480 5.562 30 10 DKEE CCCCC#CC[C@](C)(O)c1ccc(OCc2ccccc2)cc1 2024328852 QKMIJRMBEIQRTE-QFIPXVFZSA-N 322.448 5.057 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCC[C@H](C)C2)c1Br 2027611962 WGHFGQXGRGVLCZ-LRDDRELGSA-N 306.247 5.020 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2136615594 VVZJVNSIOYNQDX-HNNXBMFYSA-N 320.691 6.044 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1ncc(Cl)s1 2164168046 IYHZIZICMOJHKY-CQSZACIVSA-N 316.942 5.978 30 10 DKEE CC1(C)CC(CC2(C#N)CCC3(CC2)OCCO3)CC(C)(C)C1 2203201899 CZTGRHANJLWZBF-UHFFFAOYSA-N 319.489 5.056 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(CN[C@@H](C)CC)cc1 2217123016 QULLRKDILYBZSD-IBGZPJMESA-N 322.496 5.157 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1 2229495971 DFKLQFAGWNAYRT-INIZCTEOSA-N 303.273 5.952 30 10 DKEE CCCCCCCCC[C@H](N)c1nc(C(F)(F)F)cs1 2234793038 VSSKTPIGSWSJEO-NSHDSACASA-N 308.413 5.302 30 10 DKEE C=CCCCC[C@H](N)c1cc(Br)cc(C(C)C)c1 2254713921 GMNFKLSKPBOFJH-INIZCTEOSA-N 310.279 5.319 30 10 DKEE C=CC1(C[C@H](NCC)c2cc(Cl)c(Cl)cc2C)CCC1 2286463995 WVVRFRBVDLYAJM-INIZCTEOSA-N 312.284 5.699 30 10 DKEE C=CCCCCCCCSc1sccc1CNC1CC1 2287075996 QAILSJOCUCXZNQ-UHFFFAOYSA-N 309.544 5.619 30 10 DKEE C=CCCCCCCCSc1ccc2scnc2c1N 2287183897 WTHZNFWJAWDILY-UHFFFAOYSA-N 306.500 5.497 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 2287416394 YYTXDXZUMQXCTN-CQSZACIVSA-N 305.771 5.495 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2ccc(C)c(C)c2)cc1 2296875629 ASVFIGLGVCKWPJ-UHFFFAOYSA-N 323.436 5.291 30 10 DKEE Cc1ccc(-c2csc(/C=C/c3cccc(C#N)c3)n2)cc1 14177671 BCKZMDCRNYTTMC-JXMROGBWSA-N 302.402 5.161 30 10 DKEE CCCCN(CCCC)c1ccc2cc(Cl)cnc2c1C#N 39423202 MVTVGUDJRVPJPT-UHFFFAOYSA-N 315.848 5.166 30 10 DKEE Cc1ccc(/C=N/c2ccc(Br)c(Cl)c2)s1 59518244 UMONNLLHRHAVBO-VIZOYTHASA-N 314.635 5.223 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cccc(Br)c1C 125689948 KTWFKLKOESCKHV-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE Cc1cccc(Nc2ccc(C#N)c(Cl)c2)c1Br 131519621 GWKPJYSJIIOQSB-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@H](NC)c1snnc1C(C)(C)C 139512491 LYQRYIXQWNLTNU-AWEZNQCLSA-N 311.539 5.237 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)cc(Br)c1 232925628 CQUWWBUYOTZHBF-CQSZACIVSA-N 319.670 5.496 30 10 DKEE C(=Nc1ccc(Nc2ccccc2)cc1)c1c[nH]c2ccccc12 252462251 RABDWGSNXGVLOI-UHFFFAOYSA-N 311.388 5.662 30 10 DKEE Brc1cccc(C=Nc2cccc3ccccc23)c1 252631087 VHWRINQXVDRSES-UHFFFAOYSA-N 310.194 5.353 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1ccsc1Cl 687927967 DRCOFUWETXTTGK-INIZCTEOSA-N 316.938 6.226 30 10 DKEE CC(C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710723018 BOXSQZTZDIGXTG-QGZVFWFLSA-N 322.836 5.020 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cccc(Cl)c2Cl)CC1 724616385 KUKNOYXBQILNDM-INIZCTEOSA-N 312.284 5.781 30 10 DKEE C#CCSc1nc(-c2ccc(CCCCCC)cc2)cs1 1860817448 PHIZVNSSGVYMNG-UHFFFAOYSA-N 315.507 5.658 30 10 DKEE CCCCCCCCNC(=O)c1ccc2ccn(C(C)C)c2c1 1874052536 AXNWJNVGILGGOO-UHFFFAOYSA-N 314.473 5.313 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N 1915376857 CTICMRSCAQNXHK-KBAYOESNSA-N 310.466 5.004 30 10 DKEE CC[C@](C)(C#N)[C@@H](O)c1ccc(-c2ccccc2Cl)s1 1921043884 AXRCIQBQQPHVQE-JKSUJKDBSA-N 305.830 5.042 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1snc(Cl)c1Cl 2048317399 KIZHAYXIBGACAD-GXSJLCMTSA-N 307.290 5.093 30 10 DKEE C=CCCCC[C@H](NCCC)c1scc(Cl)c1Cl 2059111572 LPXPVBYDXXFIND-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE Cc1c(Nc2ccc(C#N)cc2)ccc(Br)c1Cl 2082802836 UVSHBYZLYWAHOT-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(F)ccc1Br 2085838235 BEBLERKYEOBYDB-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203974789 JJDHUKHELVMXJI-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc(Cl)sc1Cl 2227274905 WBGDJDUQIYIIRP-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C=CCC1(Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)CCCC1 2234282569 NLRQSVFJHZNXMD-UHFFFAOYSA-N 315.200 5.202 30 10 DKEE FC(F)(F)[C@H]1CCC[C@H](OCC2(CS)CCCCC2)C1 2239947183 CXDUFQZJBZUNIF-STQMWFEESA-N 310.425 5.004 30 10 DKEE CCCCCCCC[C@](C)(O)c1csc(C(F)(F)F)c1 2240629770 XRHJMBACSZGFQU-AWEZNQCLSA-N 308.409 5.725 30 10 DKEE C=C(CC)C[C@H](O)c1c(Cl)cc(Br)cc1Cl 2243538480 LUUHTHPCASHMEW-NSHDSACASA-N 324.045 5.146 30 10 DKEE C=C[C@](N)(c1cc(Br)cc(C(C)(C)C)c1)C(C)(C)C 2272999702 VSXPMVJJPCWTEV-KRWDZBQOSA-N 324.306 5.133 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(O)c1cc(Cl)cc(Cl)c1 2284070948 MLMPAGSEYQDTKV-KRWDZBQOSA-N 311.252 5.197 30 10 DKEE C=C(C)CCCC[C@H](Cc1c(Cl)cccc1Cl)NCC 2287414079 NHAOTVJEIGFORB-CQSZACIVSA-N 314.300 5.651 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 2287415301 UNGWEYNADQRHCR-CQSZACIVSA-N 306.755 5.529 30 10 DKEE Cc1cc(C(=NOCc2ccccc2Cl)C2CC2)ccc1F 2330366186 ASPZSTWZOQIHGL-UHFFFAOYSA-N 317.791 5.118 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1c(Cl)cccc1Cl)NC 2344348649 MPPRANMEHTWTFB-CVEARBPZSA-N 300.273 5.116 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1ccc(Br)cc1CC 2344386240 VKNMYCVYQALHKM-MRXNPFEDSA-N 324.306 5.264 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2370618648 ORPPBQTYCQJFOE-ZIAGYGMSSA-N 306.755 5.385 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 14460220 DQTYJLYAOJCRSC-FRQCXROJSA-N 306.796 5.038 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccccc1 33921935 PCXWZSIWRKRVQC-BENRWUELSA-N 308.764 5.496 30 10 DKEE CC[C@H](CS)CN1c2ccccc2Sc2ccccc21 94586511 VEIZSUHOXHVCRE-ZDUSSCGKSA-N 301.480 5.245 30 10 DKEE CCCCCCCc1c(C)c(OC)cc2c1[nH]c1ccccc12 95827669 ABYVCTWTYWFOAJ-UHFFFAOYSA-N 309.453 6.151 30 10 DKEE CCCCCCC[C@@](C)(C#N)Nc1ccc(Br)cc1 103991522 PEPLQPNZEVJQPA-INIZCTEOSA-N 323.278 5.504 30 10 DKEE CCCCCCCCCCCC(=O)NCCc1ccccc1 106384554 VHETUFZJAFEOIC-UHFFFAOYSA-N 303.490 5.266 30 10 DKEE CCCCCCC[C@H](NC(C)C)c1nc(C(C)(C)C)cs1 109690908 BTQXBDLBQMXBKI-HNNXBMFYSA-N 310.551 5.840 30 10 DKEE CCCCCCC[C@@H](CNCCC)Cc1ccccc1Cl 110917522 LZNKHMLQWWWGIV-QGZVFWFLSA-N 309.925 5.859 30 10 DKEE CCCCCCCCC[C@@H](CS[C@H](C)CC)NCCC 115646111 RKXWCVNGAQDRIR-MSOLQXFVSA-N 301.584 6.027 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccc(C)c(Cl)c1 158907147 VCRHTWXDOANSNH-LJQANCHMSA-N 309.925 6.440 30 10 DKEE CCCCCCCCCC[C@H](N)c1c(Cl)cccc1Cl 162286181 WUGDIJWLYGJFPT-INIZCTEOSA-N 316.316 6.524 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C)s1)N2 226653755 QMAYNARSSBVOMW-GUXCAODWSA-N 323.461 5.448 30 10 DKEE C=CCCCCCNc1ccc(Br)c2ccccc12 232475000 DYKOATFQIGKRJF-UHFFFAOYSA-N 318.258 5.761 30 10 DKEE C=CCCCCC[C@H](NCCC)c1ccccc1Br 233124821 AZHWWWRFLRIUFF-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE CCCCCCCCCC(=O)c1ccncc1Br 395979973 VWMKHBYQKYKMCX-UHFFFAOYSA-N 312.251 5.168 30 10 DKEE C[C@H](Nc1ccc(C#N)c(F)c1)c1c(Cl)cccc1Cl 400807998 IMOZZSARIKTVJM-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CN(CCCCC(C)(C)C#N)Cc1cc2cscc2s1 693881443 TWVCBMWQJNYYKY-UHFFFAOYSA-N 306.500 5.115 30 10 DKEE C=CCCSCCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 696059572 OPBKBXCYHRJEIS-JTQLQIEISA-N 322.276 5.092 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)C1(C#N)CCCCCC1 698381722 WWEBWWSOPWCNFQ-UHFFFAOYSA-N 320.477 5.173 30 10 DKEE CC[C@H](C)C[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698481944 BMSFHIZUGXRGJZ-RLFYNMQTSA-N 310.482 5.131 30 10 DKEE CCCCCCCCOC[C@@H](N)c1ccc(Cl)cc1Cl 709555468 MAQLZOIUBWTBFY-MRXNPFEDSA-N 318.288 5.370 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc(C(C)C)cc1 710737599 MBTQEEYZPRHDFP-KRWDZBQOSA-N 316.445 5.022 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)CCC1CCCCC1 710815351 QGSWRMREBONIBH-KRWDZBQOSA-N 322.493 5.132 30 10 DKEE C/C(=C/c1ccccc1Cl)C(=O)/C=C/c1ccccc1Cl 1088725862 HNYMWNNZRYCUHK-MRBUWEIXSA-N 317.215 5.679 30 10 DKEE CN(C)c1ccc(N=Cc2cccc(-c3ccccc3)c2)cc1 1772722085 HSTCBVWHDOGCQJ-UHFFFAOYSA-N 300.405 5.170 30 10 DKEE CCCC[C@@H](C)N(C(=O)c1cccc(C#N)c1)c1ccccc1C 1859999083 YEKYHKZTOMGPLX-QGZVFWFLSA-N 320.436 5.092 30 10 DKEE CCCCCCC[C@](C)(N)Cc1c(Cl)cccc1Cl 1919526322 SBXRNPUBGJNUHN-INIZCTEOSA-N 302.289 5.614 30 10 DKEE C=CCCCCN[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1935999645 OVNQYIZHGIMIHK-OAHLLOKOSA-N 318.461 5.041 30 10 DKEE C=C([C@@H](NCCC)c1sccc1Br)C(C)(C)C 1947437242 PJQIYIXUJHXAQI-GFCCVEGCSA-N 316.308 5.154 30 10 DKEE C=CCN(Cc1ccccc1)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 1962674833 IQBOVXNORPSIQS-IAGOWNOFSA-N 311.391 5.043 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@@](C#N)(CC)C1CCC(C)(C)CC1 1975997221 HYIZBCHUMGPDKX-LJQANCHMSA-N 322.493 5.132 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1sc(Br)cc1C 1978574765 GVVDQXSHQCCVIR-JTQLQIEISA-N 322.699 5.002 30 10 DKEE CCCCCCCC(=O)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 1988172762 YOCFRHCNVVUBHM-LJQANCHMSA-N 315.501 5.217 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccccc1C(C)(C)C 1990890696 GAPUVNKLSGLMFG-UHFFFAOYSA-N 307.481 5.562 30 10 DKEE CCCCCCCCOCc1cccc(Br)c1C 2027197234 IKBMHISIBCTGOY-UHFFFAOYSA-N 313.279 5.635 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ncc(Cl)cc1Cl 2102109888 BYEJEGATBPJOHP-SMDDNHRTSA-N 301.261 5.031 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cc2sccc2s1 2140589524 LUEQMNOMCJZXAZ-LLVKDONJSA-N 304.827 5.293 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1c(Cl)cccc1Cl 2141999918 SMEHUWOMNYJHDQ-MRXNPFEDSA-N 301.257 5.728 30 10 DKEE CCCCCCCOCc1cc2sc(CNC)cc2s1 2156620287 NRJZXVKXECBJCH-UHFFFAOYSA-N 311.516 5.169 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(-c2ccc(Cl)cc2)o1 2164107410 KXJSSGITVWBQSB-AWEZNQCLSA-N 310.224 5.393 30 10 DKEE CCc1ccc(C#N)c(Nc2c(Cl)cc(F)cc2Cl)c1 2188847432 VUBFMXYUKFXOIM-UHFFFAOYSA-N 309.171 5.310 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cc(Cl)c(N)cc1Cl 2209529706 LLEVZBPQLUMFFG-UHFFFAOYSA-N 321.251 5.158 30 10 DKEE CC(C)(C)[C@H](CS)COCc1ccc(Cl)cc1Cl 2223384607 DPXJHBVXFMIFTO-NSHDSACASA-N 307.286 5.102 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(C)c(F)c1Cl 2240619267 DEONWYNXXNWRBO-QGZVFWFLSA-N 300.845 5.746 30 10 DKEE C=CCCCCCCCSCC(=C)I 2241929793 WLUOLLLZOLNERW-UHFFFAOYSA-N 324.271 5.195 30 10 DKEE Cc1cc(Br)ccc1SCC[C@H](C)CCS 2243751283 ULUKKEWVHLXGPO-SNVBAGLBSA-N 319.333 5.196 30 10 DKEE FC1CC(CS)(CSc2ccc(Cl)cc2Cl)C1 2247176742 RKOBXBUCRKFRLO-UHFFFAOYSA-N 311.274 5.134 30 10 DKEE C=CC[C@@H](CC)NCc1cc(Br)cc(C(C)C)c1 2254752903 UWXRWQAEOHVVSJ-MRXNPFEDSA-N 310.279 5.017 30 10 DKEE Cc1c(Br)cccc1CCC=CC#CC(C)(C)C 2256708576 VBUOHIPVIBYAAN-UHFFFAOYSA-N 305.259 5.296 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(Br)c(F)c1C 2259231617 MNNIJMNEQWBQLW-CQSZACIVSA-N 314.242 5.033 30 10 DKEE Cc1cccc(Oc2ccc(Cl)cc2C#N)c1Br 2263765273 AJNCUHISPHMUDX-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCC1CCC(C#N)(Cc2c(F)cccc2Br)CC1 2273934904 AFPRRQBUUAVSBY-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccsc1C(F)(F)F 2287468595 WQUVTMXLSBMINI-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE C=C(C)CCOc1c(Cl)cc(CNCC(C)C)cc1Cl 2296257830 OBCGXRGQEQCYHU-UHFFFAOYSA-N 316.272 5.084 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ccc(Br)cc1 2344338184 XHXIMCFPPYXOHA-IAGOWNOFSA-N 324.306 5.482 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2349888835 QGPHQUFGMPHYFY-OAHLLOKOSA-N 304.236 5.530 30 10 DKEE CC(C)C[C@@H](CS)CSCC1(C)CC(C(F)(F)F)C1 2353843174 OHXUNDJBNPPXHN-HIFPTAJRSA-N 314.482 5.290 30 10 DKEE O=C(/C=C\Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 33385012 GKRVHWMNNURUFH-KTKRTIGZSA-N 309.217 5.482 30 10 DKEE Cc1cc(-c2sc(C#N)c(N)c2-c2cccs2)ccc1F 63058864 YFIJAHKCSXXZRQ-UHFFFAOYSA-N 314.410 5.045 30 10 DKEE CCCCCCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 100419838 OSAOJFROSZAOQN-KRWDZBQOSA-N 303.490 5.075 30 10 DKEE CCCCCCCCCCCN1C(=O)C(=O)c2cc(C)ccc21 100958067 SJLNSDBVALAJSJ-UHFFFAOYSA-N 315.457 5.055 30 10 DKEE CCCCCCCOc1ccc(-c2nc(N)sc2C)cc1 104001039 LZYZQMPLTBCJHT-UHFFFAOYSA-N 304.459 5.050 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1sccc1Cl 126888206 REMCSKVFXVHYDM-OAHLLOKOSA-N 302.911 6.356 30 10 DKEE Cc1cc(Nc2ccc(C(F)(F)F)cc2Cl)ccc1C#N 126896090 YVIPXQUEEPUIQX-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCCCCNCc1cc(F)c(F)c(F)c1 129257592 PKOFIFGZBINDFQ-UHFFFAOYSA-N 301.396 5.334 30 10 DKEE CSc1cccc(Oc2ccccc2C(F)(F)F)c1C#N 136702507 FDPBRPJCZPDCJE-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(Cl)cc1OC 158112624 ONNAJZBHPKKMLS-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE CCCCCCCC[C@H](NC)c1cc2ccc(F)cc2s1 159110139 GDFBLAIMTPUMJD-INIZCTEOSA-N 307.478 6.052 30 10 DKEE CCCCCCCCCn1cc(C=O)c2ccc(Cl)cc21 163940616 HIBUYRJSFQSULS-UHFFFAOYSA-N 305.849 5.858 30 10 DKEE CCCCCCCCOc1c(Cl)cccc1C[C@@H](N)CC 169173127 KOCRYMJYHGKOOH-INIZCTEOSA-N 311.897 5.359 30 10 DKEE CCCCCCCCCCCCCC[C@@H]1SC(N)=NC1=O 196145253 YIRNNSRYVBZJSD-HNNXBMFYSA-N 312.523 5.034 30 10 DKEE CCCCCCCc1ccc(C(=O)/C=C\c2ccccc2)cc1 209522829 IYQXHSFSCRDACY-SDXDJHTJSA-N 306.449 6.096 30 10 DKEE CCc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1 210602643 AMOBYGSDKUFGEV-YFHOEESVSA-N 305.204 5.452 30 10 DKEE C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)c2ccsc2S1 217000039 LNTSLMMEVXTDLB-XPTSAGLGSA-N 320.870 5.311 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(F)c(F)c1Br 231871189 MWSWGRCSVUPUOY-GFCCVEGCSA-N 320.221 5.088 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232262253 YAQXQUMIAUJOLL-OAGGEKHMSA-N 308.428 5.857 30 10 DKEE C=CCCCCC[C@@H](NCC)c1c(Cl)cccc1Cl 233606696 WUZQACHXVLFFGX-OAHLLOKOSA-N 300.273 5.781 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 308054818 LQAYRRYAXYBXGO-FZMZJTMJSA-N 312.240 5.242 30 10 DKEE N#Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(F)c1 310393901 FBJYFQPDVAVNJE-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE C=CCCCCCCN[C@@H](C)c1cc(Cl)ccc1Cl 312062726 JEGJSGLISYJYRJ-ZDUSSCGKSA-N 300.273 5.781 30 10 DKEE N#CCc1ccc(CSc2cc(Cl)cc(Cl)c2)cc1 399254843 ZHBDLQPXWGDYIS-UHFFFAOYSA-N 308.233 5.352 30 10 DKEE CCCCCCCCOc1cc(Cl)cc(Br)c1 698008801 JPKSCJWNFPSIJK-UHFFFAOYSA-N 319.670 5.842 30 10 DKEE CCCCCCCCC(=O)c1oc(C)cc1Br 706402390 SRGCNVLJIAQJSQ-UHFFFAOYSA-N 301.224 5.284 30 10 DKEE CC(C)(C)c1ccc(-c2csc(SCCCC#N)n2)cc1 1860801387 MQFUIGVMTBQUEZ-UHFFFAOYSA-N 316.495 5.503 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2c(c1)CCCC2 1866089212 CXKOOVIZFVAYDP-UHFFFAOYSA-N 315.501 5.436 30 10 DKEE CC=C(C)C(=O)c1ccc(-c2ccc(Br)cc2)s1 2056777823 UDKKNHLXMAWQCM-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE C=C1CCC(C[C@@](C)(N)c2ccc(C)c(Br)c2)CC1 2105803182 ZHYIXPJDCUETNG-QGZVFWFLSA-N 322.290 5.068 30 10 DKEE CCCC[C@](C#N)(CC)CCOc1ccc(Br)cc1 2108206978 OWSXILVBQBQORQ-MRXNPFEDSA-N 324.262 5.328 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1sccc1Cl 2142404627 OFDBHOBEGYCEFF-CQSZACIVSA-N 300.899 5.213 30 10 DKEE C=CCCCCCCCCNc1cc(C)ccc1Br 2142452619 JOPMTRZTEQPEAC-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE CCCSc1ccccc1N=C1N[C@@](C)(CC)CCS1 2158459125 JABGFWMZAMKUIZ-INIZCTEOSA-N 308.516 5.071 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 2168549612 YLNFWTINAOAEQV-GOEBONIOSA-N 312.240 5.137 30 10 DKEE C=CC1(Cn2c(S)nc3ccc(Cl)c(C)c32)CCCC1 2189617801 ZZEVASWCXWJLKT-UHFFFAOYSA-N 306.862 5.033 30 10 DKEE C=CCCCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1 2235518726 JIHKHUMBZLBOET-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1c(Cl)cccc1Cl 2235526165 IKQXCSITTRPZMD-MRXNPFEDSA-N 314.300 6.171 30 10 DKEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1cc(Cl)cc(Cl)c1 2237995364 DDYALBCPONMHAB-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCc1ccc(C#C[C@H](N)c2cc(Cl)sc2Cl)cc1 2239646109 MHHSKNVZVIZNFN-AWEZNQCLSA-N 324.276 5.059 30 10 DKEE C=CCCC[C@@H](CCCC(F)(F)C(F)(F)F)NCCC 2240421002 GZGHIEGVAABEML-LBPRGKRZSA-N 301.343 5.079 30 10 DKEE CCCCCCCC[C@H](C)NCc1ccc(Cl)c(Cl)c1 2240643748 BKSYBQAHFVHWCZ-AWEZNQCLSA-N 316.316 6.222 30 10 DKEE COc1cc(Cl)c(C(=O)C2=CCCCCCC2)cc1Cl 2281565515 MKDUYCHDRRNPJC-UHFFFAOYSA-N 313.224 5.465 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Cl)cc(C(F)(F)F)c1 2287470886 VTAKQMFPWVDUSD-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE CCCCCCC[C@H](O)[C@@H](NCCC)c1cc(Cl)cs1 2290368254 KKJSWLPPKFYFIW-GOEBONIOSA-N 317.926 5.164 30 10 DKEE C=C(C)C[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2341927137 SRKUOGDDWAPPOU-AWEZNQCLSA-N 300.273 5.179 30 10 DKEE C=CCCCCCCCSc1ccc(C)c(Cl)c1CN 2360731366 KYBUBAROTLVZBV-UHFFFAOYSA-N 311.922 5.726 30 10 DKEE C=C1CC(C[C@H](CCc2cc(Cl)cc(Cl)c2)NCC)C1 2366808319 VJUFDOJXRKOQJO-KRWDZBQOSA-N 312.284 5.260 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2370521273 IEQCEUPKCOSMCX-XHDPSFHLSA-N 316.272 5.255 30 10 DKEE Fc1ccc(-c2csc(N/N=C/C=C/c3ccccc3)n2)cc1 1770546 HLGOXGBDTNWXIK-LIJKSJPWSA-N 323.396 5.060 30 10 DKEE N#CC[C@H](Nc1ccccc1SC(F)F)c1ccccc1 55015176 FKLSPGNHXJJCDO-ZDUSSCGKSA-N 304.365 5.068 30 10 DKEE Cc1ccc(C)c(C[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 57759938 CMNMTVOKORBFPB-HNNXBMFYSA-N 304.220 5.460 30 10 DKEE N#CC1(c2ccc(Cl)cc2Cl)CC2(CCCCCC2)C1 86543294 SNCPPGVKYSBOKF-UHFFFAOYSA-N 308.252 5.889 30 10 DKEE O=C(/C=C/C=C\c1cccs1)c1ccc(-c2ccccc2)cc1 103044199 WCTZBWNWOPAPJA-WNEGIOFOSA-N 316.425 5.867 30 10 DKEE CC[C@H](C)Oc1cccc(Nc2cccc(Cl)c2C#N)c1 110258089 WNFDGWGBYPJSBB-LBPRGKRZSA-N 300.789 5.133 30 10 DKEE CCCCCCCCCCCC[C@H](O)CSC1CCCC1 115646537 PQZYTJSZRSTLAB-SFHVURJKSA-N 314.579 6.334 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(F)cc(F)cc1[N+](=O)[O-] 132372431 OHKXZDXGFWKBPH-LLVKDONJSA-N 300.349 5.034 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2ccc(F)c(Cl)c2)CC1 164697472 GAYLIKMDXINULV-PDOTXMHQSA-N 309.812 5.013 30 10 DKEE CC(C)c1cccc(Oc2ccc(C#N)c(Br)c2)c1 228200084 ZMYRJMWQCIEKIL-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE N#C[C@@H](Nc1cccc(Br)c1)C1CCCCCCC1 311270639 AREOHTXIIAIFJR-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CCCCCCC[C@H](NCC)c1coc(Br)c1 393573775 KKNMFFUBQPFZKS-ZDUSSCGKSA-N 302.256 5.053 30 10 DKEE CCCCCCCCC[C@@H](COCc1ccccc1)NCC 395593165 QPLDOTJYMWSAGY-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCCC2)CC1 698963225 HMXZLMREXLOOLD-UHFFFAOYSA-N 320.477 5.030 30 10 DKEE CC[C@@H]1CCCCC[C@]1(C#N)Nc1ccc(Br)cc1 709171510 CYALYZCXFWTYFA-CZUORRHYSA-N 321.262 5.114 30 10 DKEE Fc1cc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1 1848363807 RBWOXWPJOQZSKA-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C#C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CCC1 1878558738 MELYFRWAWRFIKT-ZANVPECISA-N 316.659 5.099 30 10 DKEE C#CC[C@H](COc1ccc(Br)cc1C(C)C)C1CC1 1887075202 ZOCBQXOGMJMOFK-CQSZACIVSA-N 321.258 5.001 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(C)c(Br)o1 1917532186 FKOCPLWVYCFWDK-ZDUSSCGKSA-N 316.283 5.362 30 10 DKEE CCCCCCCCCNc1cscc1Br 1925103860 OFRUTLQIXZMORC-UHFFFAOYSA-N 304.297 5.673 30 10 DKEE N#Cc1ccc(F)cc1CN(Cc1ccccc1)C1CCCCC1 1946866013 WBQWWNZWQQNJEN-UHFFFAOYSA-N 322.427 5.032 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(C)sc1Br 1951019415 OLIWGBZMHRUDPT-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccsc1Br 1995173077 JDKJJPNNOPLNSC-GFCCVEGCSA-N 302.281 5.037 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)s1 1995176645 KJEOSHJDQJSSGF-LLVKDONJSA-N 302.281 5.037 30 10 DKEE CCCN[C@@H](CC#C[Si](C)(C)C)c1scc(C)c1Cl 2130935494 RQDMXVSFBUUUOJ-ZDUSSCGKSA-N 313.970 5.022 30 10 DKEE CCC[C@H](C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C(C)C 2144873457 NXEJKUPTCPFLON-RYUDHWBXSA-N 312.240 5.242 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H](O)c1ccsc1Cl 2148588119 NLLRPVKFHSALSS-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE N#C[C@H](c1c(Cl)cccc1Cl)[C@H]1CCC2(CCCC2)C1 2155221835 DBNFPIRECAGVFI-STQMWFEESA-N 308.252 5.961 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@](C)(O)c2csc(Cl)c2)CC1 2157110280 DYYVXZSCUCKNCP-HZPDHXFCSA-N 311.878 5.109 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 2158329417 WNJMJHMBABAQJW-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(C(F)F)cs1 2161270752 PJAZCBFIQPHSGM-AWEZNQCLSA-N 303.462 6.087 30 10 DKEE C=CCCCC[C@@H](NC)c1c(Cl)cccc1C(F)(F)F 2179679247 GKPBWTOEPKPPRH-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)c(C)cc1Cl 2201365813 YLOOPBXZCIXDRG-KRWDZBQOSA-N 316.316 6.442 30 10 DKEE C=CCCCCCCCNCc1csc(Br)c1 2214623659 TVKBITQRSNPMEH-UHFFFAOYSA-N 316.308 5.127 30 10 DKEE C=CCCCCCCCC(=O)c1nccc(C)c1Br 2227289297 ZHZYNHCYJNFEPC-UHFFFAOYSA-N 324.262 5.252 30 10 DKEE CCCCCCCCCCCCCCOCCCCS 2239504258 YJPDPUFBBUHYGA-UHFFFAOYSA-N 302.568 6.414 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Cl)ccc1Br 2250166766 LRTNCNHGWGKBRE-CQSZACIVSA-N 316.670 5.239 30 10 DKEE CCCCCCCC[C@](C)(N)c1ncc(C(C)(F)F)s1 2279285493 JDWNLXDNJZTPKJ-AWEZNQCLSA-N 304.450 5.179 30 10 DKEE C=CCCCCCCCSc1cc(CNCC)sc1C 2287063504 RCRZSJKCNDYLSU-UHFFFAOYSA-N 311.560 5.785 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H](NC)c1cc(Cl)cs1 2290197637 NRRWICHXBNXHBU-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@H](OCCC(=O)O)c1cscc1Cl 2290874429 YQBLTCNNZKLIQD-AWEZNQCLSA-N 318.866 5.294 30 10 DKEE CCOc1ccc(Cl)cc1C=CC(=O)c1ccc(C)c(C)c1 2322899808 ZJOKONVVYYBQJD-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE CC[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2324718601 ATTJJVYLBAMQHN-OAHLLOKOSA-N 322.404 5.097 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1c(Cl)cccc1Cl)NC 2344348651 MPPRANMEHTWTFB-HZPDHXFCSA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1c(Cl)cccc1Cl 2370480996 ABRPGJUKSQOLAP-IAGOWNOFSA-N 314.300 6.027 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(Cl)c1C(F)(F)F 2370605011 XOVMLELPSBMTTB-ZIAGYGMSSA-N 306.755 5.385 30 10 DKEE Cc1ccccc1/C=C1\CC(C)C/C(=C\c2ccccc2C)C1=O 3895149 VVRXZZNHDYNMMC-NNFYUIBOSA-N 316.444 5.769 30 10 DKEE CCCCCCCCCCCCCCCNC(=O)/C(C)=N/O 105021469 YSDLICRCIZNSMI-LVZFUZTISA-N 312.498 5.044 30 10 DKEE CCCCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NC 109733268 RLUXACCAGCDNQN-AWEZNQCLSA-N 316.316 5.875 30 10 DKEE CCCCCCCCCCCC[C@H](N)Cc1csc(C)n1 109743054 AXQSDSZUWQFKAD-KRWDZBQOSA-N 310.551 5.632 30 10 DKEE CCCCCCCC[C@@H](CO)c1cccc(Br)c1 118660003 NPPLRCXKHOXSBX-HNNXBMFYSA-N 313.279 5.276 30 10 DKEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1cc2c(s1)CCCC2 129538593 DKXVKJSISPKELS-LLVKDONJSA-N 316.857 5.325 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(Cl)cc1F)NCC 134234751 YIHXSAJABWAJEX-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cccc(Br)c1Cl 229740245 SHAYJURPGVWSQF-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C[C@@H](c1ccc(Br)cc1)C1(C=O)CCCCCC1 316765418 OHXCJIIDBLWMAW-ZDUSSCGKSA-N 309.247 5.092 30 10 DKEE CCCCCCCCC[C@@H](O)c1coc(Br)c1 383273166 WAGBYAKAXVAPNN-CYBMUJFWSA-N 303.240 5.216 30 10 DKEE Fc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1 514260659 XDORANFYHQSLLJ-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCCCCC[C@@H](C)Nc1ccc(Br)c(C#N)c1 690187033 TZMACSHPRCDSPM-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE CC1(C)CCC[C@@H](Nc2ccc(Br)c(C#N)c2)CC1 690204652 RPVNJXTVWGCJBA-CYBMUJFWSA-N 321.262 5.092 30 10 DKEE Cc1ccc(Nc2cccc(Br)c2Cl)c(C#N)c1 690861066 AMLZZMIWNVYZDZ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC(C)[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C(C)C 698401172 SLZXXOLZDQECLU-QFBILLFUSA-N 322.493 5.131 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cccc(Br)c2)CC1 724549209 MFMDKPNRUNHZFJ-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE C=CCC(CC=C)Nc1ccc(Br)cc1Cl 1900996531 KFRIBLGAEYIIIL-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cc2ccccc2cc1N 1914952880 RNDBECFDRHEJJR-UHFFFAOYSA-N 316.448 5.000 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(C)c(Br)o1 1917606684 RWNHLXVRANFULC-GFCCVEGCSA-N 303.240 5.135 30 10 DKEE CCC[C@H](CS)CN(Cc1ccccc1)C1CCCCC1 1932029468 UDIKAVQTEWRZFD-SFHVURJKSA-N 305.531 5.167 30 10 DKEE Cc1ccccc1C=C1CCCC(=Cc2ccccc2C)C1=O 1933310230 UTIHSBHVGKPGEM-UHFFFAOYSA-N 302.417 5.523 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)Cc1ccco1 1990779512 TXKOZKNWJWVLSF-UHFFFAOYSA-N 313.485 6.032 30 10 DKEE C=C(C)C[C@H](NCCC)c1cccc(Cl)c1Br 2000389451 DDMNKRARJDBGRR-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE CC1(C)OB([C@H]2C[C@H]2c2ccccc2-c2ccccc2)OC1(C)C 2058991352 JFEGLKNIUDMZGM-OALUTQOASA-N 320.241 5.303 30 10 DKEE C=CCCCCCC[C@H](N)c1cccc(C)c1Br 2085841469 IFBOWURXQXTXHW-HNNXBMFYSA-N 310.279 5.284 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2123079569 FFAYHVNWXFISOV-INIZCTEOSA-N 300.273 5.781 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1ccc(Cl)cc1Cl 2127968319 FVBLUZZNVOHJPG-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H](O)c1cc(Cl)cs1 2148592220 RSFLIECVTIJAHC-GOEBONIOSA-N 317.926 5.293 30 10 DKEE CCCCCCCCCC[C@@H](N)c1nn(C)c(Cl)c1Cl 2150719609 CDZBNSDBDIPABL-GFCCVEGCSA-N 320.308 5.258 30 10 DKEE C=C(C(=O)c1ccc(-c2cccc(Cl)c2)s1)C(F)(F)F 2164073298 HOHDWPJBCZJPTE-UHFFFAOYSA-N 316.731 5.370 30 10 DKEE C#CCC[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2164104552 JYZOBIOEUYCETD-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C[C@H](NCC1(C#N)CCCCC1)c1ccc(Cl)cc1Cl 2166294686 SGMOSSFLVIEKRN-LBPRGKRZSA-N 311.256 5.118 30 10 DKEE N#Cc1cc(F)c(Oc2cccc3ccsc23)cc1Cl 2177393818 WYDDVIIRSWSRRE-UHFFFAOYSA-N 303.745 5.358 30 10 DKEE C=CCCCCCCCC(=O)c1nscc1Br 2214624081 RIMWRPVYJPIQQO-UHFFFAOYSA-N 316.264 5.005 30 10 DKEE C=C1CC([C@@H](NCCC)c2cc(Cl)cc(F)c2Cl)C1 2231190824 HZDCYGRGURIGMJ-OAHLLOKOSA-N 302.220 5.139 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccc(C)cc1Br 2259236452 CDJWQCFLSAHZHX-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCCC[C@@H](O)c1sc(Cl)cc1OC 2278289973 IIUSUTDARZGQNO-GFCCVEGCSA-N 304.883 5.584 30 10 DKEE C=CCCCCCCCSc1cc(C)c(CNCC)s1 2287074753 JDFIPHKQYUNBJP-UHFFFAOYSA-N 311.560 5.785 30 10 DKEE C=CCC(CC=C)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2316738695 KJCHVMRFYVMUJV-AWEZNQCLSA-N 305.632 5.449 30 10 DKEE C=C(Cl)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2318601487 JWYHICKIZDMNGA-AWEZNQCLSA-N 306.664 5.047 30 10 DKEE C=CCC(C)(C)CN[C@H](C)c1ccc(Cl)c(C)c1Cl 2353047933 MNDKRURUAAPEGY-GFCCVEGCSA-N 300.273 5.555 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(F)cc1CO 2362382159 BXRACQMIWKLGJQ-UHFFFAOYSA-N 316.869 5.590 30 10 DKEE C=CCC(C)(C)[C@H](Cc1c(Cl)cccc1Cl)NCCC 2370518719 NEQSZRLGPXLHFH-INIZCTEOSA-N 314.300 5.506 30 10 DKEE Oc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1 584378 AHBCGKKMAAAXOL-REZTVBANSA-N 300.572 5.103 30 10 DKEE N#Cc1ccc(/C=C\c2nc3c(ccc4ccccc43)s2)cc1 33432513 AKBCBFUOAHXHEP-XFXZXTDPSA-N 312.397 5.492 30 10 DKEE Oc1cc(-c2cccc(C(F)(F)F)c2F)cc(C(F)(F)F)c1 65344393 SXUWSCNTBJYSGP-UHFFFAOYSA-N 324.195 5.236 30 10 DKEE N#CCc1nc(-c2c3ccccc3cc3ccccc23)cs1 76541532 QSKAUGKOBAWRHP-UHFFFAOYSA-N 300.386 5.183 30 10 DKEE C=C(C)C/N=C(\c1cc(Cl)ccc1O)c1ccccc1Cl 100061253 IQMXSKDXSORSSN-JZJYNLBNSA-N 320.219 5.113 30 10 DKEE C=CCN(CC=C)C(=O)CCCCCCCCCCCCC 100441893 RBOBGJUZBSZZCV-UHFFFAOYSA-N 307.522 5.888 30 10 DKEE CCCCCCCCCC[C@H](N)Cc1c(F)cccc1Cl 112898940 JLUFYIUABXHKAE-HNNXBMFYSA-N 313.888 5.880 30 10 DKEE CCCCCCCCCCCC[C@H](C)CNCC(F)(F)F 122365681 YNRCJYVMOLTYRV-INIZCTEOSA-N 309.460 6.085 30 10 DKEE CCCCCCCCCCCCCCOc1cc(C)oc(=O)c1 205451892 IRQCRJGQUKSYOV-UHFFFAOYSA-N 322.489 6.028 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 226805941 SFZZHWBEQQVHKU-LVCYWYKZSA-N 303.405 5.078 30 10 DKEE N#Cc1ccc(Oc2cccc(Br)c2)c2ccccc12 232469645 FHYQCCLMFZDFQK-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CN(C)c1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 254508514 PSZLRCKMWNDAPU-UHFFFAOYSA-N 315.420 5.247 30 10 DKEE C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 257410960 DWTRNJFPDXIFSY-MVCQNYRTSA-N 316.485 5.129 30 10 DKEE endogenous,in-man CCCCCCC[C@@H](C)NCc1cc(Cl)sc1Cl 312767051 NJGPHOIULDAUAO-LLVKDONJSA-N 308.318 5.894 30 10 DKEE CCC1CCC(C=O)(Cc2ccc(C)c(Br)c2)CC1 317389402 YHBIIZHMPCVIKC-UHFFFAOYSA-N 323.274 5.086 30 10 DKEE CCCCCCC[C@H](C)NCc1csc(Br)c1 397386191 LYIJNTYNYMGTDC-LBPRGKRZSA-N 318.324 5.349 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1ccccc1OCc1ccccc1 715719266 IXHGQLDIZCJINT-UTKZUKDTSA-N 309.453 5.128 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 715746729 DWJLJOCBCZHPIU-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=CCCCCC(=O)c1cscc1OCc1ccccc1 1885309072 OLUXLENPJSPSTB-UHFFFAOYSA-N 300.423 5.256 30 10 DKEE SCCCCCCSCc1ccc(Br)cc1 1902020691 AUUVKNDXQSOHGE-UHFFFAOYSA-N 319.333 5.173 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(F)c(Br)c1 1920039196 VBSBIGRYYSODNK-OAHLLOKOSA-N 317.242 5.156 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](C)CC(C)(C)C 1922114713 AOQUQDHOYXEQNL-PXNSSMCTSA-N 317.517 5.200 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1cc(F)cc(C#N)c1)C(C)(C)C 1946838737 DTVCVSWBMXIICX-INIZCTEOSA-N 324.443 5.134 30 10 DKEE C=C(COCc1ccccc1)[C@H](NC)C1(C)CCCCCCC1 1981428906 XMMMXSBHPMXFSG-FQEVSTJZSA-N 315.501 5.098 30 10 DKEE C#C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 1990747541 LZHCVHQSEBUSHD-RXVVDRJESA-N 305.465 5.298 30 10 DKEE Cc1c(Cl)cc(C(=O)C2=CCCCC2)cc1Br 2002242256 MCUJZYVZGNLRRH-UHFFFAOYSA-N 313.622 5.094 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(F)cc(Br)c1 2045998454 SMGSRSJQMHLEMR-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE C=C(Cl)COC(=O)c1sc2cc(Cl)ccc2c1Cl 2058285605 LKDNKLIUGFIEFW-UHFFFAOYSA-N 321.612 5.117 30 10 DKEE CN[C@H](CC#CC(C)(C)C)c1c(Cl)ccc(Cl)c1Cl 2107826239 JVKLACDSRBDPDK-GFCCVEGCSA-N 318.675 5.347 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ncc(Cl)s1 2107963644 MVSZZACKTIESNL-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE C=CCC[C@@H](C)[C@H](CSc1ccccc1Cl)NCCC 2158320901 PEDQBTIDFAGPFL-ZBFHGGJFSA-N 311.922 5.403 30 10 DKEE CCCCCCCCCN[C@H]1CCC[C@@H](P(C)(C)=O)C1 2160843666 MHMOCISPFULCEN-DLBZAZTESA-N 301.455 5.261 30 10 DKEE CCCCCCC[C@@H](NCC)c1c(F)ccc(Cl)c1F 2164184971 XCSHLKVETISIBB-CQSZACIVSA-N 303.824 5.629 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(C(F)(F)F)cc1F 2164262607 ADCBPJCZKCCFCN-ZDUSSCGKSA-N 309.734 5.028 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccsc1C(F)(F)F 2173632711 FOUNNJZUBBQFAM-AWEZNQCLSA-N 301.377 5.420 30 10 DKEE CCC#CC[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2174094857 CWGZDZDTEDHENF-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200836557 QYTVVCLFGQUCHD-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCCCCCC[C@@H](C[C@@H](C)P(C)(C)=O)NCCC 2206901269 ASJCYINLWLLBNM-SJORKVTESA-N 301.455 5.283 30 10 DKEE CCCCCCCCCCCCOC/C=C/Br 2216920779 HMRFQOGHTGQYOR-OUKQBFOZSA-N 305.300 5.833 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(Br)cc1CC 2229191857 FEUTYUYSKXMZPT-DYVFJYSZSA-N 324.306 5.264 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234059326 INRKSRIQQFCGJU-GWCFXTLKSA-N 312.240 5.242 30 10 DKEE CCCCCCCCC[C@@H](N)c1nc(C(F)(F)F)cs1 2234793037 VSSKTPIGSWSJEO-LLVKDONJSA-N 308.413 5.302 30 10 DKEE CC1(CS[C@H]2CCCCC[C@H]2C#N)CC(C(F)(F)F)C1 2287331709 IEFKURGELZBRLP-AHPWVWPOSA-N 305.409 5.171 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1csc(C(F)(F)F)c1 2287466819 RPMODPVKLGSGDK-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE CCCCCCC[C@](C)(OCCCN)c1cscc1Cl 2293449859 VPMGEOHIFYOGHF-INIZCTEOSA-N 317.926 5.343 30 10 DKEE CCSc1ccc(C(CC)=NOCc2ccc(C#N)cc2)cc1 2330292998 UHKVWPGHDNIXDG-UHFFFAOYSA-N 324.449 5.001 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(C(F)(F)F)s1 2370485228 CYFQIRMTJKWMDF-CYBMUJFWSA-N 305.409 5.410 30 10 DKEE Cc1cc(C)c(/N=C/c2ccc(Br)s2)c(C)c1 59519140 DNOMDVREABPBIA-LZYBPNLTSA-N 308.244 5.186 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(Br)cc2F)C1 87972774 FQYILGBRIPDWSF-LRDDRELGSA-N 324.237 5.241 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cccc(C(F)(F)F)c1F 94601452 LKFYVSCEVNFAII-AWEZNQCLSA-N 303.343 5.242 30 10 DKEE CCCCCCCCOc1cccc(CNCC(C)(C)C)c1 100047984 LVQSYZHDOSIDDI-UHFFFAOYSA-N 305.506 5.562 30 10 DKEE CCCCCCCOc1ccc(CNCCCCCC)cc1 100048318 FIZOHHXRIISKEN-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE CC(=O)/C=C(/C)Nc1cc(C)c2[nH]c(-c3ccccc3)cc2c1 101623295 BECJLSVYGPYISG-UVTDQMKNSA-N 304.393 5.048 30 10 DKEE CCCCCCC[C@@H](C#N)Nc1ccccc1Br 110029016 VSOXORONDIOIMI-ZDUSSCGKSA-N 309.251 5.114 30 10 DKEE CCCCCCCCCCCC[S@](=O)c1ccccc1N 112957469 JKWSZIJUEATCAR-OAQYLSRUSA-N 309.519 5.297 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1ccc(CC)s1 115856206 FOGFGYRUJROKCD-SFHVURJKSA-N 309.563 6.492 30 10 DKEE CCCCCCCCCCCc1nnc([C@@H](CC)NC)s1 116085687 WOAOGYIRSIBBNA-OAHLLOKOSA-N 311.539 5.282 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cnc2ccsc2c1 130106089 XXVQLISFSJMWRP-MRXNPFEDSA-N 304.503 5.698 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1F 158027674 VESKYGVHRFNPPY-MRXNPFEDSA-N 303.824 5.629 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1c(Cl)cnn1C 159421514 HCHIYTBXVZDMFN-OAHLLOKOSA-N 300.874 5.028 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cccc(Cl)c1Cl 162354744 VTFJMYHUJHINAO-MRXNPFEDSA-N 316.316 6.524 30 10 DKEE N#Cc1ccc(NCc2sc3ccccc3c2Cl)c(F)c1 168259303 YMELMIAMSMGGRY-UHFFFAOYSA-N 316.788 5.178 30 10 DKEE COc1ccccc1C=Nc1ccc(N=Nc2ccccc2)cc1 257352800 NNXARXTZNMMBDS-UHFFFAOYSA-N 315.376 5.861 30 10 DKEE CCCCCCCCCCCC[C@H](NN)[C@H](C)CSC 312195805 QEYIABCHQZNJFQ-SJORKVTESA-N 302.572 5.128 30 10 DKEE C=CCCC[C@H](N)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 406769830 BWAZVNHIHILUEG-HNNXBMFYSA-N 324.852 5.043 30 10 DKEE CC1=CCCC(C)(C)[C@H]1/C=C\C(C)=NNc1nc2ccccc2[nH]1 606347349 ZHCIRJWDYUBSEP-AYORHCMWSA-N 322.456 5.289 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@H]1C(C)(C)C 698360826 VAPPSCHQOTWDFG-KXBFYZLASA-N 322.493 5.131 30 10 DKEE CC[C@](C#N)(C(C)C)N(C(=O)OC(C)(C)C)c1ccccc1C 698419587 ODBNCBCJZDMPPN-IBGZPJMESA-N 316.445 5.065 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 709119724 UPEQNLBWDYQFNF-CMPLNLGQSA-N 312.240 5.242 30 10 DKEE C=CC[C@H](C)[C@H](Cc1c(Cl)cccc1Cl)NCCC 715750796 XKNOBEFVVZUYBG-LRDDRELGSA-N 300.273 5.116 30 10 DKEE C[C@H]1CC([C@@H](C#N)c2cccc(Br)c2)C[C@H](C)C1 719361565 OTBUXIWSQGNZEN-HSMVNMDESA-N 306.247 5.129 30 10 DKEE COc1ccccc1C=Nc1cc(Cl)c(Cl)cc1Cl 1083975908 QBMBGASMAFGWEF-UHFFFAOYSA-N 314.599 5.406 30 10 DKEE CC(C)c1ccc(C=Nc2cccc3ccccc23)cc1[N+](=O)[O-] 1084217858 HXJXSCWSTHJUTG-UHFFFAOYSA-N 318.376 5.622 30 10 DKEE N#C[C@]1(Cl)C[C@H]2C=C[C@H]1C2=C(c1ccccc1)c1ccccc1 1088750104 RJDYGWQBIKVBQY-LVCYWYKZSA-N 317.819 5.196 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874582126 XKDIYUYEYNMNQO-NTCAYCPXSA-N 322.448 5.669 30 10 DKEE C=CCCCCCCCCNC[C@@H](C)COCc1ccccc1 1995325022 DVVNGOCKSCPFOC-HXUWFJFHSA-N 317.517 5.346 30 10 DKEE CCCCCCCC[C@@H](NN)c1scc(Cl)c1Cl 2035096876 LBGJTLPKBSQQIG-LLVKDONJSA-N 309.306 5.310 30 10 DKEE CC#CCCCC[C@@H](NCC)c1scc(Cl)c1Cl 2075364435 XHOMXJIXNQOEQC-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(F)cc1Br 2085914792 CALCWJVABBLNKL-HNNXBMFYSA-N 315.226 5.148 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 2096544556 HONNWBYWHJHAQQ-GHMZBOCLSA-N 304.236 5.528 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(Cl)c(Cl)s1 2099891005 SRCAKYPHWAVTFQ-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc(Cl)sc1C 2154495445 VHFAUPYDZCRBGI-INIZCTEOSA-N 315.954 6.501 30 10 DKEE C#C[C@H](N[C@@H](C)c1c(Cl)cccc1Cl)C1CCCCC1 2203799959 DUUDOUAFAPHHHQ-LRDDRELGSA-N 310.268 5.226 30 10 DKEE C=C([C@@H](NCC)c1ccc(-c2cccs2)s1)C(C)(C)C 2205874426 ZPQNEAZUENOCET-MRXNPFEDSA-N 305.512 5.730 30 10 DKEE CCC[C@@H](CS)CSc1ccc(OC(F)(F)F)cc1 2227644434 YPJROTRKXLMKKF-JTQLQIEISA-N 310.406 5.023 30 10 DKEE CC(C)(C)C#CC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2233868451 CFVQCPSJKYFHMS-UHFFFAOYSA-N 302.826 5.301 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cscc1C(F)(F)F 2235513104 HZOYIJAMYSFHCW-CQSZACIVSA-N 305.409 5.683 30 10 DKEE C=CCCCCCCC[C@@H](O)Cc1c(Cl)cccc1Cl 2235523473 GENQWXYLDMTKBC-CQSZACIVSA-N 315.284 5.814 30 10 DKEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1sccc1Cl 2240642680 PHNBWCBJVIOQJU-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1 2244655907 DHVDSRWMCRKFKS-QGZVFWFLSA-N 318.461 5.170 30 10 DKEE CCC[C@H](CC)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2244770855 FFEIOIGLUSWDAQ-RDJZCZTQSA-N 322.493 5.275 30 10 DKEE CCCCCCCCC[C@H](C)N(CC(=O)O)Cc1ccccc1 2246057627 YENQEDQOUHQVCB-SFHVURJKSA-N 319.489 5.102 30 10 DKEE C=CCCCCC[C@H](O)c1cc(Br)c(F)cc1C 2258014075 FBLAFJSKYDLFLD-HNNXBMFYSA-N 315.226 5.067 30 10 DKEE Cc1cc(N=C2N[C@@H](C(C)(C)C)CS2)c(Cl)cc1Cl 2277445008 LSICJWIRBUXIFT-GFCCVEGCSA-N 317.285 5.040 30 10 DKEE CC[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324709234 NGXORLYWLYSWFU-OAHLLOKOSA-N 322.404 5.097 30 10 DKEE C=CCC[C@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2341153097 VXWOIHIGYPTOIV-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE CCCCCC#CC[C@H](O)CCc1cc(Cl)cc(Cl)c1 2366862977 IWESNOHOPVOZDP-KRWDZBQOSA-N 313.268 5.261 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2370483268 SEFWWDPOHORDIR-OAHLLOKOSA-N 318.263 5.776 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2 14475043 YZHDEBJQFFZIAQ-JTAQYXEDSA-N 322.411 5.538 30 10 DKEE CCCCCOc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1 83204781 XKVSZPHENYXNEH-NTEUORMPSA-N 324.420 5.160 30 10 DKEE SCC1(CSc2nc3ccccc3s2)CCCCC1 94588981 WVQXJAIGDWJTPE-UHFFFAOYSA-N 309.525 5.269 30 10 DKEE FC(F)(F)c1cccc(SCC2(CS)CCCCC2)c1 94589314 HMOTUDQYEOAVQD-UHFFFAOYSA-N 320.445 5.678 30 10 DKEE CCCCCCCCCCCCn1cnc2cc(C)c(C)cc21 102180560 XGRHZARNWYNNTA-UHFFFAOYSA-N 314.517 6.574 30 10 DKEE O=C(/C=C\c1ccccc1)/C=C/c1ccc(-c2ccccc2)cc1 103044072 GOFPAMAIGLQTMP-SIJTWYJSSA-N 310.396 5.649 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1cccc(Cl)c1 121984439 QDMUWSWTGYZREQ-SFHVURJKSA-N 310.913 5.765 30 10 DKEE CCCCCCCC[C@H](N)c1cc(C)c(Br)s1 126110931 ODCQIQPSQNJWIF-LBPRGKRZSA-N 318.324 5.569 30 10 DKEE CCCCCCCCC(=O)c1csc(Br)c1 159210914 MRMFRSSOUDKAHA-UHFFFAOYSA-N 303.265 5.444 30 10 DKEE CCCCCCCCCC[S@@](=O)c1cc(N)ccc1Cl 166358207 JHWLKXCLWLGLBM-FQEVSTJZSA-N 315.910 5.171 30 10 DKEE CCCCCCC[C@H](O)c1cc(Br)ccc1Cl 168217562 CJAHOBCIZFQZGI-AWEZNQCLSA-N 319.670 5.496 30 10 DKEE Cc1ccc(Nc2ccc(C#N)cc2Br)c(Cl)c1 213283354 ILVYGAWJOXGHIQ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C\c1ccc(C)o1 588574404 POILDDMQPBOYGQ-SEYXRHQNSA-N 309.409 5.092 30 10 DKEE CCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698377376 BJZZDKJYJKWWOP-IBGZPJMESA-N 322.493 5.419 30 10 DKEE C=C1CCC(CC(=O)c2cccc(OCc3ccccc3)c2)CC1 724594789 IXEMSUKPYPKAGN-UHFFFAOYSA-N 320.432 5.585 30 10 DKEE CCCCCCC[C@@H](N)c1csc(C)c1Br 1902877590 XYWLUEXAJZADOI-GFCCVEGCSA-N 304.297 5.179 30 10 DKEE C[C@@H]1CCC[C@@]1(C#N)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 1921094418 LUIWGCMDMHDPAK-WZYXQFPFSA-N 318.631 5.010 30 10 DKEE CCCCCCCCN[C@@H]1CCCC[C@H]1OCc1ccccc1 1977470154 XVVVEZUERRIFLM-NHCUHLMSSA-N 317.517 5.465 30 10 DKEE CCCCCC#CCNc1ccc(OCc2ccccc2)cc1 1994156398 MEZNEHOSBVEXBY-UHFFFAOYSA-N 307.437 5.261 30 10 DKEE C=CCC[C@H](NCCC)c1sc(CC)cc1Br 2000449839 MVLLBRIERAQHEL-ZDUSSCGKSA-N 316.308 5.080 30 10 DKEE CCCCCCCOCc1cc(Br)ccc1F 2025653241 NUEWDUOWOFCGFG-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE CC(C)(C)C1CCC(C#N)(CC2(Br)CCC2)CC1 2049229380 CJJOHRYXVYFIGZ-UHFFFAOYSA-N 312.295 5.440 30 10 DKEE FC(F)c1cc(C(F)(F)F)cc(Cl)c1OC(F)(F)F 2054963763 ZEBAHHGTIOACDT-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CCCCCCC[C@H](O)c1cc(F)c(Br)c(F)c1 2086133642 SQBNWZDVWTZFLP-ZDUSSCGKSA-N 321.205 5.121 30 10 DKEE CCCCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2107809728 RQBYJEQVJIIFIC-CYBMUJFWSA-N 322.707 6.397 30 10 DKEE CC[C@H](C)[C@@H]1CSC(=Nc2cc(Cl)c(C)cc2Cl)N1 2136526893 SHGZWFBLCPZPIR-SDBXPKJASA-N 317.285 5.040 30 10 DKEE CO[C@@H]1CCC[C@@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 2182783862 MFLHKEYVAVDQCV-HZPDHXFCSA-N 312.240 5.025 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1 2235518727 JIHKHUMBZLBOET-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1csc(Cl)c1 2240638149 QQSKNCRYHUDKJY-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)c(Cl)s1 2256694585 QSBBZFMQSVZJMZ-NSHDSACASA-N 302.270 5.051 30 10 DKEE C=C[C@H](C)C[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273115765 FRLHNPOPUDJEJI-LRDDRELGSA-N 324.306 5.219 30 10 DKEE CCCCCCCC[C@H](OCCCN)c1cscc1Cl 2293717022 JEEFYBDENZVTCI-INIZCTEOSA-N 317.926 5.559 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2335361662 SFFJFWHGEFXHKA-IINYFYTJSA-N 304.236 5.385 30 10 DKEE CCCCCC#CC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2340798248 LDBDKIKZCFYSBH-CQSZACIVSA-N 302.220 5.106 30 10 DKEE CCCCCCC[C@@H](C)NCc1nc(C(C)(F)F)cs1 2360830178 FGGPJGKQQONGTA-GFCCVEGCSA-N 304.450 5.093 30 10 DKEE O=C1/C(=C/c2ccc(Cl)cc2)COc2ccc3ccccc3c21 367424 JDQNKYHVCLIYGH-RVDMUPIBSA-N 320.775 5.152 30 10 DKEE CCC[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 36954150 NGSOACRGZNPRBR-INIZCTEOSA-N 319.235 5.818 30 10 DKEE CCCCCCC[C@H](C)NCc1cccc(C(F)(F)F)c1 59089776 HOHARIUWUMMJQF-AWEZNQCLSA-N 301.396 5.544 30 10 DKEE C=C/C=C\C/C=C\C[C@H]1O[C@H]1CCCCCCCCCCC 78686769 MNOQVNSRLYAHLG-LXOZGROOSA-N 304.518 6.753 30 10 DKEE biogenic CCCCCCCCNCc1cccc(OC)c1OCCCC 100048710 DALSHWLGQLIGAI-UHFFFAOYSA-N 321.505 5.324 30 10 DKEE Cc1cc(Nc2cc(Cl)ccc2C#N)ccc1Br 110252108 MZFSYUAGTLPCFY-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCSc1nc(N)c2ccsc2n1 110324321 HCHKLKFWRKYIOY-UHFFFAOYSA-N 323.531 5.506 30 10 DKEE CCCCCCCC[C@H]1CCC[C@H]1NCCCCCC(=O)O 111429318 LDSBMPQRBGVMMF-ZWKOTPCHSA-N 311.510 5.140 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(Br)cc1 112888805 KNIADVKZSHWAKO-INIZCTEOSA-N 312.295 5.590 30 10 DKEE CCCCCCCCCCCCC(=O)c1ccc(Cl)nc1 156204697 QQGQCKBBWYSZAP-UHFFFAOYSA-N 309.881 6.229 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Br)ccc1C 168332658 LFXKIYSAMBLXAS-INIZCTEOSA-N 313.279 5.542 30 10 DKEE CCCOc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 206894081 NDWSZDZOAVNOJG-HAVVHWLPSA-N 315.416 5.893 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(F)c(Cl)cc1F 229276731 DHMLEARWAQEUCV-QGZVFWFLSA-N 318.835 6.182 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)ccc1Br 232936783 VTNOFADRSYCTBX-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE C[C@@H]1CCc2c(sc(N=C/C=C\c3ccccc3)c2C#N)C1 254395914 FGQLBGBXYBWIOX-AFUOTVOUSA-N 306.434 5.160 30 10 DKEE ON=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 254628748 HUPLNADJIUTTNI-UHFFFAOYSA-N 312.372 5.106 30 10 DKEE CCCCCCCCNC[C@@H](c1ccc(C)cc1)N(CC)CC 257626044 AKKUFOFLIOPQES-NRFANRHFSA-N 318.549 5.328 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 308053561 JFOQZVYXJMMENJ-AAEUAGOBSA-N 312.240 5.242 30 10 DKEE C=CC[C@H](CC)N[C@@H](c1cccs1)c1ccc(Cl)s1 393788148 WVDAQFZUXLITGI-NHYWBVRUSA-N 311.903 5.497 30 10 DKEE CC1(C)CCC[C@H](Nc2cc(Br)cc(C#N)c2)CC1 697638503 OHRNJNYYCHLAOV-AWEZNQCLSA-N 321.262 5.092 30 10 DKEE C=C(C)Cn1c(-c2ccc(OCCCC)cc2)nc2ccccc21 1873522003 DKUIZRHVODFBPA-UHFFFAOYSA-N 320.436 5.458 30 10 DKEE CCCCCCCCCOC(C)(C)CCNCc1ccccc1 1915740020 PABYZEWZEIPZGK-UHFFFAOYSA-N 319.533 5.712 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccccc1CCC 1922069574 RSDXMHMCCXLXJN-JOCHJYFZSA-N 323.480 5.063 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(C)cc1C 1922091786 MRFZRASMPOZXHB-JOCHJYFZSA-N 323.480 5.117 30 10 DKEE CC(C)[C@H](C)N(CCCCC(C)(C)C#N)Cc1ccccc1 1931993618 VXHUUZGCTDEWQM-SFHVURJKSA-N 300.490 5.253 30 10 DKEE CCCCCC#CCN(Cc1ccccc1)CC1CCCCC1 1994193676 FVRVZHWNUWZKHN-UHFFFAOYSA-N 311.513 5.653 30 10 DKEE C=CCCCCCCCCN[C@H]1CC[C@@H]1OCc1ccccc1 1995327484 IMESIYQFFAUTOI-SFTDATJTSA-N 315.501 5.241 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)sc2Cl)CCCCC12CC2 2074835412 QAZASEWSINVJPD-AWEZNQCLSA-N 300.254 5.462 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC(C)(C)C1 2112240178 PEJJKJQWKUOAPD-DYVFJYSZSA-N 320.274 5.663 30 10 DKEE CC(C)(C)CC(C)(C)c1ccc(OCC#CBr)cc1 2114271811 LGWIPPZWUAMWFU-UHFFFAOYSA-N 323.274 5.135 30 10 DKEE CCCCCCCCCCCC[C@@]1(O)CCS[C@@H](C)C1 2151689843 AYVJAPISZNCYET-ZWKOTPCHSA-N 300.552 5.944 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1cc(C)c(Cl)s1 2165333454 PHGMQRBSGWEBPP-HNNXBMFYSA-N 316.894 5.453 30 10 DKEE C=C([C@H](NCCC)[C@@]1(C)CCCCC1(F)F)[Si](C)(C)C 2167949887 LQLNUZQGUTWNLT-LSDHHAIUSA-N 303.513 5.004 30 10 DKEE C=CC1(C[C@H](NCC)c2cc(C(F)(F)F)cs2)CCC1 2168028667 OKZGRSAGZTUWLW-LBPRGKRZSA-N 303.393 5.164 30 10 DKEE C=CC1(Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCCCC1 2178140846 VIQPEFAPONLQKP-UHFFFAOYSA-N 315.200 5.202 30 10 DKEE C=CCC(C)(C)OC[C@H](NCC)c1cccc(Cl)c1Cl 2187282537 CAVANCZNFDIQTF-AWEZNQCLSA-N 316.272 5.015 30 10 DKEE CCCCCCCCN(C)c1nc(Cl)nc2sccc12 2196713908 VBEPEAMMBQIWKD-UHFFFAOYSA-N 311.882 5.141 30 10 DKEE CN(CCCCCCCCCS)[C@@H]1CCCCC1(F)F 2197024169 LTEFRWHSJWCRTP-OAHLLOKOSA-N 307.494 5.157 30 10 DKEE C#C[C@H](N[C@@H](C)c1cccc(Cl)c1Cl)C1CCCCC1 2203796895 BDMDFNKOXQNBCN-LRDDRELGSA-N 310.268 5.226 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1 2203955788 CVWVITBHDIEDJY-CQSZACIVSA-N 324.594 5.137 30 10 DKEE C=CCCCCCCCCC(=O)c1csc(C(F)F)n1 2207378738 UXMFNWSHKRBPBV-UHFFFAOYSA-N 301.402 5.570 30 10 DKEE CCCCCCCC(=O)c1c(C)sc(Br)c1C 2213608501 FECBGBBUDPWSEF-UHFFFAOYSA-N 317.292 5.671 30 10 DKEE Cc1sc(C(=O)C=C2CCCCC2)c(Br)c1C 2215932967 YIHQRCZBUWLBCQ-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE C=CCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 2227278521 AAZVDUIBQPBHSC-YCPHGPKFSA-N 300.533 5.098 30 10 DKEE CCCCCCCC[C@@H](C)NCc1cccc(Cl)c1Cl 2240638933 ZSDUNQGNAGVWAU-CQSZACIVSA-N 316.316 6.222 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1 2244655906 DHVDSRWMCRKFKS-KRWDZBQOSA-N 318.461 5.170 30 10 DKEE CCCCCCCCCCC1(N)CCP(=O)(CC)CC1 2283576698 JTYPJZALPDHLFP-UHFFFAOYSA-N 301.455 5.392 30 10 DKEE CCCCCCC[C@@H](O)C(=O)c1cc(Cl)c(Cl)cc1C 2284809287 HWZJFYXLXJCJQJ-OAHLLOKOSA-N 317.256 5.206 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1cc(Cl)cs1 2290371291 YHZQBTMPNFQWDB-OAHLLOKOSA-N 316.942 5.827 30 10 DKEE CCC(=NOCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 2330251608 PXISNXRRSHPSIP-UHFFFAOYSA-N 311.400 5.035 30 10 DKEE C=CCC(CC=C)Sc1cc(CNC2CCC2)sc1C 2360375621 PLPGSVBHYJMOBT-UHFFFAOYSA-N 307.528 5.312 30 10 DKEE Cc1c(C[C@]2(C=O)CCCCC2(C)C)ccc(Cl)c1Cl 2364017238 IGPRXOSXPFBIIX-KRWDZBQOSA-N 313.268 5.630 30 10 DKEE Cc1c(C(=O)C2=Cc3ccccc3C2)ccc(Cl)c1Cl 2364548488 PRJHPTMPENWJQX-UHFFFAOYSA-N 303.188 5.124 30 10 DKEE Cc1ccc(O)c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1 243491 XSTDLIAFMDHEBQ-RGVLZGJSSA-N 311.768 5.365 30 10 DKEE O=C1/C(=C\C=C/c2ccco2)CCC/C1=C\C=C/c1ccco1 33924432 SHPLADCLSRWYLI-PROQBGNBSA-N 306.361 5.205 30 10 DKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 36930844 KFLRHJMYSOBDHI-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE N#C[C@H](C(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)c1 37344644 GBSUUFQIBHBNED-NSHDSACASA-N 324.594 5.137 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(C#N)cc1Br 59460182 BAKGEEYLBWBJGE-CYBMUJFWSA-N 323.278 5.482 30 10 DKEE CCc1cccc2c(C#N)c(Cl)n(Cc3cccc(C)c3)c12 71465905 SEQHZDFWPJHVJD-UHFFFAOYSA-N 308.812 5.086 30 10 DKEE CC(C)(C)c1oc(-c2cc(Cl)ccc2Cl)cc1CC#N 77084944 HRXXNYIKPJJYTQ-UHFFFAOYSA-N 308.208 5.617 30 10 DKEE CCCCCCCNCc1ccc(OCCCCCC)cc1 100027291 KBHWNZYFJFHIEU-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE CCCCCCCCNc1ccc(OC[C@@H]2CCCO2)cc1 100034109 WFFZYZLXTQFYDW-IBGZPJMESA-N 305.462 5.017 30 10 DKEE CCCCCCCCC[C@]1(C#N)C=CC(c2ccccc2)=CC1 100320109 MHSBWUAYVFPSAQ-QFIPXVFZSA-N 307.481 6.681 30 10 DKEE Cc1ccc(Nc2ccc(C#N)c(Cl)c2)cc1Br 110259368 GRKHLLFWFCOBRN-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCC[C@H](O)CSc1ccc(C)cc1 116707905 NZINTDVTGXGIFL-SFHVURJKSA-N 308.531 5.979 30 10 DKEE N#Cc1ccc(Br)cc1Oc1ccc2ccccc2c1 123464214 UNAURBAENVZGCB-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(C)c(C)cc1Cl 125393050 GLRZDQQRWVNLRR-IBGZPJMESA-N 309.925 6.358 30 10 DKEE CCSc1cccc(Sc2ccc(F)cc2F)c1C#N 136992248 WFHBTXBLVIUCGX-UHFFFAOYSA-N 307.390 5.100 30 10 DKEE CCCCCCCC[C@H](NCCC)c1snnc1C(C)C 140374953 ULFLTLVVYURJBH-HNNXBMFYSA-N 311.539 5.453 30 10 DKEE CCCCCCCCCCNc1nc(NCC)ncc1Cl 157453429 LFWOGTCIWSROAK-UHFFFAOYSA-N 312.889 5.114 30 10 DKEE CCCCCCCCNc1cc(Cl)cc(C(F)(F)F)c1 168989722 YGMRWNUSODHAEA-UHFFFAOYSA-N 307.787 6.131 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(Cl)ccc1OC 228483077 AEEDTNSWYUFZFX-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1ccc(F)c(Cl)c1 231090145 GEBKSAIFCOMDJR-OAHLLOKOSA-N 300.845 5.523 30 10 DKEE CC1(C)[C@@H]2C[C@@H]1CC=C2C=NN(c1ccccc1)c1ccccc1 263629385 AYCMWGUFJHWNFO-GHTZIAJQSA-N 316.448 5.803 30 10 DKEE C=CCC[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 303760674 ZQJKMXAXWINDLY-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE C=CCCCCCCN[C@H](C)c1cc(Cl)sc1Cl 385128546 UHWOUZDFZJOYAX-LLVKDONJSA-N 306.302 5.842 30 10 DKEE CCCCCCCCCCN[C@@H](C)CCOCc1ccccc1 389960143 HLAUYSNYDBUTOY-FQEVSTJZSA-N 319.533 5.712 30 10 DKEE CCC[C@@H](C)C(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405933846 UVARPEBJZBTPNN-QLKUMGTLSA-N 317.429 5.052 30 10 DKEE O=C(/C=C\c1ccccc1)c1cccc(OCc2ccccc2)c1 575357842 VREMNDNHVVKEQT-PFONDFGASA-N 314.384 5.162 30 10 DKEE Cc1ccc(Br)c(Oc2cc(Cl)ccc2C#N)c1 699829137 OZSQRPAQGZAOLU-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC(=NNc1nc(-c2ccc(Cl)cc2)cs1)C(C)(C)C 725442738 RTAZXMYXAVPLIU-UHFFFAOYSA-N 307.850 5.297 30 10 DKEE COC1=C2CC[C@H]3[C@@H](CC[C@]4(C)[C@H](C)CC[C@H]34)[C@@]2(C)CCC1=O 1088689510 KRJUBAZVBVUWFT-GEVUUKNCSA-N 316.485 5.129 30 10 DKEE CCCCCCCCO[C@](C)(C(=O)O)c1ccc(Cl)s1 1919745658 RXGMPKCZMKPAFO-HNNXBMFYSA-N 318.866 5.078 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@@]1(C=O)CCCCC1(C)C 1962015028 FNUULLKRWCAHFH-YLJYHZDGSA-N 302.458 5.015 30 10 DKEE C=C(CC)C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045723993 IUXOJROZDURIMT-LBPRGKRZSA-N 306.664 5.654 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2snc(Cl)c2Cl)C1 2048350914 FBQRQDKFXMAASX-TVQRCGJNSA-N 303.258 5.103 30 10 DKEE CCCCCCCCC(=O)COc1ccc(Cl)cc1Cl 2152445892 UWOUXTCBYAEPDF-UHFFFAOYSA-N 317.256 5.692 30 10 DKEE C=C1CC(CNCC(C)C)(Cc2cc(Cl)ccc2Cl)C1 2159585426 DBTLWLMWCVWCSY-UHFFFAOYSA-N 312.284 5.118 30 10 DKEE C=CC1(C[C@@H](N)c2ccc(SC(F)(F)F)cc2)CCC1 2168031069 MILMPQMKTIIFJW-CYBMUJFWSA-N 301.377 5.045 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)cc2Cl)CCCCC12CCC2 2173619920 UCLXWAKYGVFNDZ-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE CC(C)CCCCCCN=C1N[C@@H](c2ccsc2)CS1 2175632448 UYPZLUGFJKZSHD-OAHLLOKOSA-N 310.532 5.088 30 10 DKEE C=CCCCCCCCCC[C@@H](O)C[C@H](C)P(C)(C)=O 2207391743 NPPMTNPFEXRAFA-DLBZAZTESA-N 302.439 5.446 30 10 DKEE C=CCCCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1 2207430504 VTWJTHYWXWDWST-KRWDZBQOSA-N 315.284 6.334 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2217660412 LYSVYSRDFOLSDY-ZDUSSCGKSA-N 309.664 6.041 30 10 DKEE CCN[C@@H](C#CC(C)(C)C)c1c(Cl)ccc(Cl)c1Cl 2225418718 SNMAJAGUNQJKFV-LBPRGKRZSA-N 318.675 5.347 30 10 DKEE CCCCCCCC[C@@H](O)CCCC(F)(F)C(F)(F)F 2240405282 NXGSTPGDPRBLGP-GFCCVEGCSA-N 304.343 5.466 30 10 DKEE C=CCCSC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2271591904 SWSMTQJQHBKJOC-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Br)ccc1C 2271834215 BEQKDXLVMQWVBL-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CCCCCCC[C@H](OCCCN)c1ccc(Cl)s1 2276498436 WYZYIYQRXPOUMC-ZDUSSCGKSA-N 303.899 5.169 30 10 DKEE C=C1CC(C[C@H](NCCC)c2ccc(C(F)(F)F)s2)C1 2295010895 IOESWDBSDNXRIX-LBPRGKRZSA-N 303.393 5.164 30 10 DKEE CCCCCCCn1c(C=Cc2ccccc2)nc2ccccc21 2297513056 LLIYGJFBXYZPDJ-UHFFFAOYSA-N 318.464 6.177 30 10 DKEE COc1ccc([C@@H]2CC(O)=CC(=Nc3ccc(C)cc3)C2)cc1 2297747093 ATYVCTYUVIQIRS-INIZCTEOSA-N 307.393 5.096 30 10 DKEE C=CCC(CC=C)C(=O)C1CC2(CC(OCc3ccccc3)C2)C1 2301013212 OOWOVXYSQVRNMM-UHFFFAOYSA-N 324.464 5.100 30 10 DKEE COc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1Cl 2323396467 MAUKXPYBPKNJJG-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE C=CCC(CC=C)[C@@H](Cc1cccc(Cl)c1Cl)NCC 2364080398 LCFVUARRPYYFAW-MRXNPFEDSA-N 312.284 5.282 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc(C(F)(F)F)cs1 2364088503 FKURPOIBCGNXBL-CQSZACIVSA-N 303.393 5.186 30 10 DKEE O=C(/C=C\c1ccccc1)/C=C/c1ccc(-c2ccccc2)o1 6228040 AIDDQMLIZRUOOF-RCWDKCQFSA-N 300.357 5.242 30 10 DKEE O=C(/C=C\c1ccccc1)/C(=C/c1ccccc1)c1ccccc1 32168561 HLSUQENPAUVYHA-JLAYCCIFSA-N 310.396 5.510 30 10 DKEE C=CCc1cc([C@@H](C)CC)cc(C=O)c1OCCc1ccccc1 66117849 BRSQDDXNABNXRN-KRWDZBQOSA-N 322.448 5.363 30 10 DKEE CCCCCCCCCCCCCCCC(=O)OCCCO 100037035 ZUFBWTZQHUODCE-UHFFFAOYSA-N 314.510 5.393 30 10 DKEE CCCCCCC[C@@](C)(NC(C)C)c1nc2c(s1)CCC2 109690927 RPSOWJBFVVPBJE-GOSISDBHSA-N 308.535 5.206 30 10 DKEE N#Cc1ccc(Cl)cc1Sc1cc(Cl)ccc1Cl 110354003 CFJZFGFUGMMABO-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CC(C)c1ccc(Nc2cc(Br)ccc2C#N)cc1 123068403 AMYDKKXAOIBMDT-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(F)cc(C(F)(F)F)c1 159352364 FCYDMMRKIHJCOI-OAHLLOKOSA-N 306.343 5.629 30 10 DKEE O=C1/C(=C/c2ccc3c(c2)Cc2ccccc2-3)CCc2ccccc21 207351833 DKLGOSUIBJFJIT-CPNJWEJPSA-N 322.407 5.470 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(C)c(Br)c(C)c1 228390646 XLOBCRTVRKHEJO-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE C=CCCCCCCN[C@H]1CCc2cc(Br)ccc21 312076289 QIFFXNSYUXUKOO-KRWDZBQOSA-N 322.290 5.163 30 10 DKEE C=C(C)CC[C@@H](NC)c1cc(Cl)c(C)cc1Br 383430413 BQKLEYIWMIWSCH-CQSZACIVSA-N 316.670 5.028 30 10 DKEE Cc1cccc(Cl)c1N=C1NC2(CCCCC2)CCS1 687321617 GMEXMTRJXLPJHV-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CC(C)(C)C)cc1 698921876 LUORVUIBVBNMKY-MRXNPFEDSA-N 316.445 5.065 30 10 DKEE CCCCCCC[C@@]1(O)C[C@@H](C(C)C)N(Cc2ccccc2)C1 1919646265 DIECJMRHGKEPIB-LEWJYISDSA-N 317.517 5.009 30 10 DKEE C=C([C@@H](NCCC)c1cc(F)c(Cl)cc1F)[Si](C)(C)C 1922872527 GCPCRDGJYZTOFX-OAHLLOKOSA-N 317.883 5.093 30 10 DKEE C[C@H](N(Cc1ccccc1)[C@@H](CC#N)c1ccccc1)C(C)(C)C 1946839114 JVGKAYDYMMLSSH-RXVVDRJESA-N 320.480 5.578 30 10 DKEE C=C(COCc1ccccc1)[C@H](N)CCCCCCCCCC 1978680095 YBNIKYUIQWSNNK-OAQYLSRUSA-N 317.517 5.618 30 10 DKEE C=CC1(CC(=O)c2cc(Br)ccc2Cl)CCC1 2002612577 HARYLPZWZZCHMX-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccccc1Br 2040530532 RHRSLBZWOXYTSP-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccccc1Br 2050515916 ROFIFOFIXRIORP-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2scc(Cl)c2Cl)C1 2061736314 FGKMYQYSHACSHP-GFCCVEGCSA-N 304.286 5.452 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(Cl)sc2Cl)C1 2074835304 OJMXLYOXIYUFMH-AWEZNQCLSA-N 302.270 5.708 30 10 DKEE CC(C)CC[C@@H](C)[C@@H](C#N)c1ccc(Br)cc1F 2085292030 TXHVJHHXQBDMPP-BXUZGUMPSA-N 312.226 5.268 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2cc(Cl)sc2Cl)C1 2112230863 GMGLFOHVZRMXLH-FZMZJTMJSA-N 318.269 5.198 30 10 DKEE N#Cc1cc(NC2CCCCCCCC2)ccc1Br 2112436717 KOMRPMZZJCEGJE-UHFFFAOYSA-N 321.262 5.236 30 10 DKEE CCCCCC1CC(Nc2ccc(Br)c(C#N)c2)C1 2123371682 BDWCRCBBEMGKTB-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1cc(-c2cccs2)cs1 2164190856 UXGHBEUVVGCQRY-HIFRSBDPSA-N 303.496 5.484 30 10 DKEE C=CCCCCCCCC[C@H](NC)C(F)(F)C(F)(F)F 2207428776 BWLWILFIUFOVQM-LBPRGKRZSA-N 301.343 5.079 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1scc(C)c1Cl 2235527294 UDPLOGJIMIUCPU-HNNXBMFYSA-N 313.938 6.277 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2236298971 MAZHRGBNILVBGP-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C=CC1(Cn2c(S)nc3cc(Cl)c(C)cc32)CCCC1 2236859966 KEADZXFCSSUADA-UHFFFAOYSA-N 306.862 5.033 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2287414153 ODABFLCYPPPSNC-CQSZACIVSA-N 306.755 5.529 30 10 DKEE CCCCCCCC[C@H](O)c1sc(C(F)(F)F)cc1C 2294987692 DYYAWBRFTHJQAH-LBPRGKRZSA-N 308.409 5.859 30 10 DKEE C[C@@H](N=Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 2297732861 IRDCFPHSHHGXIY-SALMBKGGSA-N 301.861 5.364 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349840571 OCDIRAGQEQTFRJ-OAHLLOKOSA-N 304.236 5.530 30 10 DKEE CCCCCC#CC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2364405741 DKAPFJIWQHIJSA-MRXNPFEDSA-N 312.284 5.536 30 10 DKEE Clc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1 5861919 KBACTCODSKTOMQ-CNHKJKLMSA-N 319.018 6.051 30 10 DKEE Cc1ccsc1/C=C1\CC/C(=C\c2sccc2C)C1=O 34781640 XKCBZCGKBJNAPF-UTLPMFLDSA-N 300.448 5.256 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1Cl 44268595 FVGUUSXOFCCKHT-LLVKDONJSA-N 324.594 5.137 30 10 DKEE CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 59105018 IHHPWMDLVSTVJW-KIJZHVTOSA-N 320.480 5.941 30 10 DKEE Cc1cc(C(=O)/C=C/c2sccc2C)ccc1Br 83192857 NXGNDWFPCDZTJN-AATRIKPKSA-N 321.239 5.024 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(C(C)C)c2)cc1 83201597 JFQDJJDFPSLKJW-XYOKQWHBSA-N 324.420 5.113 30 10 DKEE Cc1cc(Oc2ccc(C#N)cc2Cl)c(C(C)C)cc1N 87465699 MFJVMPQEXOLMKI-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)c1cccs1 109717647 REHOATSPFHJGBZ-SFHVURJKSA-N 309.563 6.710 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)cc1[C@@H](C)N 110096204 NCNGIFYCKBMUCY-OAHLLOKOSA-N 311.897 5.879 30 10 DKEE CCCCCCCC[C@H](O)c1cc(F)cc(Br)c1 117661521 QGZCIDMLNFSHEO-HNNXBMFYSA-N 317.242 5.372 30 10 DKEE CCCCCCCCCCC(=O)Cc1cccc(Cl)c1F 212233049 QHGLZFSAVPLTGU-UHFFFAOYSA-N 312.856 6.122 30 10 DKEE CC[C@@H]1CCC[C@@H](Nc2cc(Br)ccc2C#N)CC1 233927208 VRXAEYOETHENLF-IUODEOHRSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCCC(=NO)c1ccc(O)cc1O 254618293 KZAGWSOMEDILLX-UHFFFAOYSA-N 307.434 5.197 30 10 DKEE N#Cc1ccccc1N=Cc1c2ccccc2cc2ccccc12 257352294 KGUJEGURHQJVDE-UHFFFAOYSA-N 306.368 5.615 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H](C)OCc1ccccc1 404514497 RSSUQOSNNMCIRN-QUCCMNQESA-N 305.506 5.320 30 10 DKEE CN1C=CC=C/C1=C\C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 685944277 ICKWZICPHVNQKM-SFQUDFHCSA-N 323.480 5.340 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2cc3cscc3s2)CC1 693994600 MVMIYNNKSDOGEP-YWCUFVOSSA-N 305.468 5.106 30 10 DKEE N#Cc1cc(Cl)ccc1N[C@H]1CCCc2sc(Cl)cc21 695770406 NCBNMXYQDCYIFL-ZDUSSCGKSA-N 323.248 5.416 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1ccccc1OCc1ccccc1 695865338 RXJMYZWSVVEXNO-INIZCTEOSA-N 308.425 5.006 30 10 DKEE CSc1cccc(NCc2c(Cl)cccc2Cl)c1C#N 696946313 NWAGFCNMVKOBHU-UHFFFAOYSA-N 323.248 5.199 30 10 DKEE CCCCCCCCCn1c([C@H](C)N)nc2cc(C)ccc21 1857801843 OPDWNEQSNACVEF-INIZCTEOSA-N 301.478 5.115 30 10 DKEE CCCCCCCCNC(=O)C[C@H](C)c1ccc(Cl)cc1 1868189439 QIPGZUJXEVXMQE-HNNXBMFYSA-N 309.881 5.310 30 10 DKEE C=CCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1F 1886406242 XKTKSSWGJNIZDB-HNNXBMFYSA-N 305.220 5.477 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2ccc(Cl)c(Cl)c2F)N1 1893169303 GPTPOXAPNDDOBO-ZDUSSCGKSA-N 321.248 5.015 30 10 DKEE CCCCCCCN(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 1981346138 GRTQISXZBFUQCM-PMACEKPBSA-N 317.517 5.273 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(Br)c(C)s1 2000356344 QUGZWSUNFGMRGK-IINYFYTJSA-N 316.308 5.072 30 10 DKEE C=C([C@@H](NCCC)c1cccc(Br)c1)C(C)(C)C 2035435114 OTAVAWVMTVAXCT-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE CCCCCCCN[C@@H](C)c1cc(F)ccc1Br 2035584970 AVOGCOCHIJBQQT-LBPRGKRZSA-N 316.258 5.209 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)c(F)c1 2085853011 YECROWASKYKXQJ-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=CCCCCCCCC[C@H](N)c1coc(Br)c1 2086261336 KCUUCNAPDPQEMZ-AWEZNQCLSA-N 314.267 5.349 30 10 DKEE CCC1(C)CCC(Nc2cccc(Br)c2C#N)CC1 2114978915 JYEYTOVWQFCERH-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE OC1(C#Cc2c(Cl)cc(Cl)cc2Cl)CCCCCC1 2119532468 ZXWGRNFXIANACP-UHFFFAOYSA-N 317.643 5.084 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1ccc2sccc2c1 2184415179 JQDQQVRCOUSVCZ-UHFFFAOYSA-N 302.761 5.309 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)c(C)cc1Cl 2201354322 DTDYHRJSVKEIFA-QGZVFWFLSA-N 316.316 6.313 30 10 DKEE CCCCCCCC[C@H](C)Nc1cscc1Br 2217302119 UPHMRLZYYIDQJQ-LBPRGKRZSA-N 318.324 6.062 30 10 DKEE C=CCCCCCCC[C@H](NC)c1ccc(Br)o1 2220081996 AXTFLXTYFHIQOV-ZDUSSCGKSA-N 314.267 5.219 30 10 DKEE C=CCCCCCCCC(=O)c1cccc(Br)c1C 2227279177 GOIYQWLQHRUKGG-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE CSc1ccc(Oc2cc(Cl)c(F)cc2C#N)cc1C 2236025978 ZPLHNSCJFSRZJK-UHFFFAOYSA-N 307.777 5.173 30 10 DKEE SCCCCCCCN(Cc1ccccc1)CC1CCC1 2242390587 QDKXYKBSMHPZPM-UHFFFAOYSA-N 305.531 5.169 30 10 DKEE C=CCCCCCCCSc1ncc(C(=O)O)cc1Cl 2287092653 WTKFYTXCAVIOSS-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE CCCCCCCCC[C@H](N)c1csc(C(C)(F)F)n1 2289391564 UPAWKGFACVKBPJ-LBPRGKRZSA-N 304.450 5.395 30 10 DKEE CCCCCCC[C@@H](OCCN)c1c(Cl)cccc1Cl 2293991421 JQZUPQGAOFWYAO-OAHLLOKOSA-N 318.288 5.370 30 10 DKEE C=CCCCCCCC[C@@H](N)c1nc(C(C)(F)F)cs1 2296175858 DNTSGFSWJTXNID-GFCCVEGCSA-N 302.434 5.171 30 10 DKEE Cc1c(OCCC(C)C)ccc2c1OC(=Cc1ccccc1)C2=O 2324637680 FSRCLYWFPYPDAJ-UHFFFAOYSA-N 322.404 5.036 30 10 DKEE Cc1cc(C(=NOCc2ccc(Cl)cc2)C2CC2)ccc1F 2330366310 NJOOXWFWQGXKST-UHFFFAOYSA-N 317.791 5.118 30 10 DKEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(Cl)c(F)c1 2360209181 ZEQRUIQXYJGZIX-LRDDRELGSA-N 315.885 5.218 30 10 DKEE C=CCC(CC=C)SC[C@@H](NCC)c1ccccc1Cl 2360339229 YENJPOKRRHTFCI-QGZVFWFLSA-N 309.906 5.245 30 10 DKEE CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N 6369555 HMHIJLALLRJUCQ-UHFFFAOYSA-N 314.460 5.132 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21 14475068 GQFQZGAVFMUVDX-TUNNFDKTSA-N 322.411 5.538 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1OCCCC 100048538 IASMRUWRRRKIHO-SFHVURJKSA-N 305.506 5.877 30 10 DKEE CCCCCCCCCC(=O)Nc1cc(Cl)ccc1C#N 105697682 YKUUSYJJYDFXLT-UHFFFAOYSA-N 306.837 5.291 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(Cl)cc1Cl 110223997 NOGUWKBTBGKMSM-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(Cl)cc1Cl 115857044 DDXFONCJAROEPT-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@@H](CSC1CCCCC1)NN 126639229 SUKZNPCKIGYQCX-INIZCTEOSA-N 300.556 5.025 30 10 DKEE CSc1cccc(N(C)[C@@H](C)c2cccc(Cl)c2)c1C#N 136661095 GHBQGNNOWYDLBZ-LBPRGKRZSA-N 316.857 5.131 30 10 DKEE CCOc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 138634964 UXHVAWINLLYJGG-CJLVFECKSA-N 301.389 5.503 30 10 DKEE CCCCCCCC[C@H](NC)[C@@H]1CCC[C@H](C(F)(F)F)C1 140391461 LQGPAHAZJWFCLN-PMPSAXMXSA-N 307.444 5.694 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(F)c(Br)c1 163739394 IVSWERXDIFHTAE-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE CCSc1cccc(Nc2ccc(F)c(Cl)c2)c1C#N 167574056 CYTMBVSYADNOPO-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE CCCCCC[C@@H](C)Oc1cccc(Br)c1C#N 168623669 NEQWLPXKPOMXBY-GFCCVEGCSA-N 310.235 5.058 30 10 DKEE C[C@H](Nc1ccc(F)c(C#N)c1)c1cc(Cl)sc1Cl 235524085 ONNBUUVRROXYII-ZETCQYMHSA-N 315.200 5.239 30 10 DKEE CC(C)N(Cc1ccccc1)c1ccc(C#N)c2ccccc12 304065910 RLIDDHCUIMTZSE-UHFFFAOYSA-N 300.405 5.126 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2ccc(Cl)cc21 692191908 VFLHMQQOCWKRJM-BXUZGUMPSA-N 306.862 5.286 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 695955819 DKKQEIXLBAIRSW-AWEZNQCLSA-N 304.261 5.360 30 10 DKEE C=CC(C)(C)CCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 706440307 XUCVDXPGWJEKRB-SNVBAGLBSA-N 320.691 5.900 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@](C)(C#N)C1CCCC1 710756490 CLPIYNPRRQSMRG-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCc1c(CC#N)sc2c(SC(F)(F)F)cccc12 725303288 CUBXEECUZMHRGJ-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CC/C(=N\OCc1ccccc1C)c1ccc(C(C)(C)C)cc1 821220413 KUKQGONSBGOTGZ-LSDHQDQOSA-N 309.453 5.623 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2c(ccn2C)c1 1874094706 RHKOLSHOULGGFH-UHFFFAOYSA-N 314.473 5.049 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCCC2(C)C)c1Br 2032103617 LQYHSDKULNBXEW-MRXNPFEDSA-N 306.247 5.020 30 10 DKEE C=C(Br)CCN(C1CCCCC1)C1CCCCC1 2044976051 IGZHOOAABGMFFA-UHFFFAOYSA-N 314.311 5.253 30 10 DKEE C=CCCCCCC[C@H](NCC)c1ccc(Br)o1 2085855649 CUSVYLKKOAARKD-ZDUSSCGKSA-N 314.267 5.219 30 10 DKEE C#Cc1ccc(CNc2cc(Cl)c(Cl)c(Cl)c2)cc1 2101679401 VJCHHYMWALSLEM-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(C)c(Br)c1C 2107977689 PJIOUHSFHFHCSJ-SUMWQHHRSA-N 324.306 5.319 30 10 DKEE C=C(C(=O)c1ccc(-c2ccccc2Cl)s1)C(C)(C)C 2164066520 FPZPEYDADNDLEF-UHFFFAOYSA-N 304.842 5.854 30 10 DKEE C=C([C@@H](NCCC)c1cc(F)c(F)cc1Cl)[Si](C)(C)C 2168652472 BDIPELCGRZTUCV-OAHLLOKOSA-N 317.883 5.093 30 10 DKEE CCCCC#CC[C@H](NCCC)c1cc2cscc2s1 2203807159 KTONXXGPAHKOKV-HNNXBMFYSA-N 305.512 5.587 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1Cl 2227307390 VEZUWDUCHCAZMG-CQSZACIVSA-N 323.691 6.431 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(Br)cc1CC 2229192728 ICXDGXDTGKYXIS-QGZVFWFLSA-N 324.306 5.409 30 10 DKEE SC[C@@H](CSCCCCCCCC1CC1)CC1CC1 2230868853 AEFVCJMABMJSNB-KRWDZBQOSA-N 300.577 5.816 30 10 DKEE C#CCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2234033504 DVBYHYFLXYRDCP-INIZCTEOSA-N 312.284 5.098 30 10 DKEE C=C(C)CCCCNCc1ccc(OCc2ccccc2)cc1 2244655986 FICCAWYPYGBANN-UHFFFAOYSA-N 309.453 5.102 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(Cl)cc1C 2266760757 BJYNXUWNYAULAY-CYBMUJFWSA-N 302.289 6.463 30 10 DKEE C=C([C@H](NCC)c1cc(Cl)c(OC)cc1Cl)C(C)(C)C 2281541036 RIYFWLYPSYPVOB-HNNXBMFYSA-N 316.272 5.255 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@@H](N)CC#CC1CCCCC1 2286475183 PDNKGLYJZNLXBD-KRWDZBQOSA-N 310.268 5.275 30 10 DKEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1sccc1Cl 2292731830 SGNFQXLCRJBIPW-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE Cc1ccn2c(N=Nc3ccccc3C#N)c(C(C)(C)C)nc2c1 2320769555 YGLLALZBNDFBLT-UHFFFAOYSA-N 317.396 5.227 30 10 DKEE CCCCCCCCNC(=O)C(C)=Cc1cccc(Cl)c1 2321201870 SGHJRKDNNQVTLZ-UHFFFAOYSA-N 307.865 5.220 30 10 DKEE CCC(=NOCc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 2330264266 UDNKSZJOZWHUSI-UHFFFAOYSA-N 313.416 5.454 30 10 DKEE C=CCC(CC=C)Sc1cc(C)c(N)cc1C(F)(F)F 2360205946 RODOBYOISYUHKN-UHFFFAOYSA-N 301.377 5.209 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccccc1C)[C@@H]1CC=C[C@H]21 14478922 RTCFHAXKLLFYML-WAOWUJCRSA-N 317.432 5.386 30 10 DKEE CSc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)cc1 14551786 YPCHZHSFIHKDNY-QKLQHJQFSA-N 318.445 5.107 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 83201449 QBSLOOMAMUAORT-FMIVXFBMSA-N 306.361 5.118 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccc(Br)cc1 104622812 SKUYUDBFGZSNOD-CQSZACIVSA-N 312.295 5.288 30 10 DKEE CCCCCCCOc1ccc(-c2cc(C(=O)O)c(C)[nH]2)cc1 106144144 ZWOJRUHSEHFYSO-UHFFFAOYSA-N 315.413 5.038 30 10 DKEE CCC(C)(C)C1CCC(Nc2cc(C#N)ccc2Cl)CC1 127772445 ZHIZOLVGYIFJLR-UHFFFAOYSA-N 304.865 5.619 30 10 DKEE CCCCCCC[C@H](C)NCc1sccc1Br 147980883 QNISOLPLCBYGBS-LBPRGKRZSA-N 318.324 5.349 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(C)c(F)cc1Cl 156422429 DIEPPSWWJHXUON-QGZVFWFLSA-N 300.845 5.962 30 10 DKEE CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1cccs1 157919708 QPPZKRROPMTFNB-ZDUSSCGKSA-N 310.344 5.202 30 10 DKEE CCCCCCCCC[C@H](O)c1c(Cl)cnn1CCC 159033969 UCRTVNAIJAMZTN-HNNXBMFYSA-N 300.874 5.121 30 10 DKEE C=CCCC[C@@H](NCCC)c1cccc(C)c1Br 233163168 HRBPXNJINXOEDH-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE CC(=NOC(=O)Nc1ccccc1)c1ccc(C2CCCC2)cc1 254381292 KIGHMRNWUQAXID-UHFFFAOYSA-N 322.408 5.317 30 10 DKEE C=CCCCCCCN[C@H](CC)c1ccc(Br)cc1 312082062 ULBWMTMVOAIDLK-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE CCCCCCCCCCCC[C@@H](CC1OCCO1)NCC 319950518 XCKFACCJQAYBRQ-SFHVURJKSA-N 313.526 5.039 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)c2ccc(Cl)s2)C1 688341687 JILNXQFRSBTNBM-CYBMUJFWSA-N 311.878 5.181 30 10 DKEE CSc1cc2ccsc2c(CC#N)c1SC(F)(F)F 725318278 BXTRFRUNYGAUSB-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE N#Cc1cccc(Cl)c1-c1cc(Cl)c(Cl)cc1Cl 1848360101 UAOKKDUKNRSDHQ-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=CC[C@](C)(CC)[C@H](CCCOCc1ccccc1)NCCC 1903148988 HVANCMCXTCAZGR-SFTDATJTSA-N 317.517 5.344 30 10 DKEE C[C@H]1CCC[C@]1(C#N)Cc1sc(Cl)cc1Br 1903678851 NNHNUZOERVXYLC-QPUJVOFHSA-N 318.667 5.036 30 10 DKEE C=CC1(CN(Cc2ccccc2)[C@H](C)c2cccs2)CCC1 1960765351 DQXOGVLCCCSULX-QGZVFWFLSA-N 311.494 5.668 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@](C)(C#N)C1(C)CCC1 1981364240 BEHJZPPJZKJWFL-LJQANCHMSA-N 320.477 5.029 30 10 DKEE Cc1ccsc1C=CC(=O)c1ccc(C2CCCCC2)cc1 2053611945 UUDKPWWNFZUEJW-UHFFFAOYSA-N 310.462 6.000 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCCCC12CC2 2116995089 JKOPJSLTPOQDMO-QGZVFWFLSA-N 318.258 5.164 30 10 DKEE C=CCCCCCC[C@@H](N)Cc1cc(Cl)cc(Cl)c1 2141918069 BFSBTACBBQKPQA-MRXNPFEDSA-N 300.273 5.390 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164189653 HBZFBDVXJUTJQY-SUMWQHHRSA-N 305.512 5.730 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(C(F)(F)F)cc1Cl 2179258351 CQLFTQFGQAFIAW-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(Cl)c(Cl)c1OC 2203430118 YYDBLTBXMPSHMC-INIZCTEOSA-N 319.272 5.570 30 10 DKEE CCCCC#CC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2203786150 CWEHDLOKDXOZRP-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCCC[C@@H](NN)c1ccc(Cl)s1 2207434473 CYHZXRYSTPQBIW-CQSZACIVSA-N 314.926 5.603 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1nn(C)c(Cl)c1Cl 2207434759 GRYXLOHPJCQQAH-GFCCVEGCSA-N 318.292 5.034 30 10 DKEE C=CCCCCCCCNc1cc(C)ccc1Br 2220095277 ZYWVFUSXPHWPMF-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE CCN[C@@H](C#CC(C)(C)C)c1cc(-c2cccs2)cs1 2233792910 WENZKVMXVSGNKL-AWEZNQCLSA-N 303.496 5.177 30 10 DKEE Cc1scc(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)c1C 2235754678 AGAHNDHXRHTTKS-NSHDSACASA-N 324.232 5.162 30 10 DKEE C=C[C@@H](CC)OC[C@H](NCCC)c1cccc(Cl)c1Cl 2239484537 RURHGNWBWQNNOQ-WFASDCNBSA-N 316.272 5.015 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)cc(Cl)n1 2239558996 MGSOSJPCXJTNSX-UHFFFAOYSA-N 319.276 5.693 30 10 DKEE C=CCCCCC(=O)c1sc(Br)c(C)c1C 2243082453 AOPUKTFMAIVHBX-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE Cc1c(Br)sc(CC=CC#CC(C)(C)C)c1C 2248466416 AYYKHFJMQXLNSL-UHFFFAOYSA-N 311.288 5.276 30 10 DKEE N[C@@H](CC#CC1CCCC1)c1ccc(-c2cccs2)s1 2289905902 WAVGLEOGONTEPS-AWEZNQCLSA-N 301.480 5.060 30 10 DKEE CCCCn1c(C=CC(=O)c2ccc(C)cc2)nc2ccccc21 2294869105 VVIAGUGZHBISFM-UHFFFAOYSA-N 318.420 5.041 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1ccc(OCc2ccccc2)cc1 2301068961 QMMRJELZTMNJLG-JOCHJYFZSA-N 321.464 5.295 30 10 DKEE CC(C)C[C@@H](CS)CSc1ccc(Cl)c(Cl)c1 2308068491 NELPCVPIFBBYSN-JTQLQIEISA-N 309.327 5.678 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Br)cc1CC 2321128926 XQVZWCYMBUGVMH-CVEARBPZSA-N 310.279 5.004 30 10 DKEE CCCCCCC[C@@H]1Nc2cc(Br)cc(F)c2O1 2328410263 YGCPZFBBCRYMDX-CYBMUJFWSA-N 316.214 5.079 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2335202004 YMFUWJVWWXJIPT-ABAIWWIYSA-N 318.313 5.342 30 10 DKEE C=CCC(CC=C)C[C@H](NCC)c1ccccc1Br 2338665796 KVCZTPTYSDMECC-KRWDZBQOSA-N 322.290 5.258 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)CCCCC(F)(F)C(F)(F)F 2370604277 TVZJQYFMMQOCQG-VXGBXAGGSA-N 302.327 5.098 30 10 DKEE Cc1cc(O/C=C\C(=O)c2ccc(Cl)cc2)ccc1Cl 33411821 UYLRHBOXMNBVFA-HJWRWDBZSA-N 307.176 5.077 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCc2ccccc2)C1 37154325 HOVMEOIHYLVTKJ-KZNAEPCWSA-N 301.499 5.664 30 10 DKEE Cc1ccc(/C=N/Nc2c3ccccc3nc3ccccc23)cc1 39557501 YYMUXLOFZHGNDD-HYARGMPZSA-N 311.388 5.142 30 10 DKEE CSc1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1 40979892 BHGCWADCRHBUMS-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE Cc1cc(C)c(/C=N/c2ccc(Br)cc2)c(C)c1 59518401 KQWXSANUGIKPCL-VCHYOVAHSA-N 302.215 5.125 30 10 DKEE CCCCCOc1ccc(/C=C2/CCc3ccccc3C2=O)cc1 75245303 LQWBZZYRHNXDGZ-MNDPQUGUSA-N 320.432 5.468 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1 115651720 ODMLIQCQYKOMGQ-QGZVFWFLSA-N 317.300 6.558 30 10 DKEE CC(C)c1ccccc1Oc1cc(Br)ccc1C#N 123464972 DPJRMJSMKHIFHV-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCC[C@H](CCCc1cccs1)NCCC 140284349 SOCNLKCEBSHMFQ-GOSISDBHSA-N 309.563 6.190 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(Cl)c(Br)c1 160921108 HSZFEKTYTDINNY-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@](C)(CC)OCC 161816250 GRBUFOZBZQHNJH-MOPGFXCFSA-N 300.527 5.864 30 10 DKEE COc1ccc(C=Nc2c3ccccc3nc3ccccc23)cc1 254432571 QTJODCOJYSKGHP-UHFFFAOYSA-N 312.372 5.147 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(Cl)ccc(F)c1F 380152130 XKWBGSBIXQJKOB-CQSZACIVSA-N 304.808 5.792 30 10 DKEE CCCCCCC[C@H](C)NC[C@@H](C)COCc1ccccc1 389925561 VWEAXBWJXDXCBL-MOPGFXCFSA-N 305.506 5.178 30 10 DKEE CCCCCCCC(=O)c1ccccc1NC(=O)OC(C)(C)C 405644242 ZLAADBGGDAVTDI-UHFFFAOYSA-N 319.445 5.577 30 10 DKEE C=CCCC[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695045631 QTWXUBFYJKNDGW-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCC(C#N)(CCC)N(C(=O)OC(C)(C)C)C1CCCC1 698871853 CVKYMQCTUGOTKZ-UHFFFAOYSA-N 308.466 5.029 30 10 DKEE CCC[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698918052 BXKYNDYZEQCVSA-DOTOQJQBSA-N 316.445 5.065 30 10 DKEE C=CC(C)(C)CCN[C@@H](CC)c1ccc(Br)cc1 701863145 FFKKZYOJSGRUCI-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1cscc1Cl 710476804 UUHJEDNDOQZVNA-QGZVFWFLSA-N 315.954 6.583 30 10 DKEE CC1(C)CCCCC[C@H]1Nc1ccc(Br)cc1C#N 719205471 KLPQVNFAFUNUEE-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCCCCCN[C@H]1CCCC[C@H]1O 1615946880 DSVVGSQCZNZDJB-VQTJNVASSA-N 311.554 5.581 30 10 DKEE CCCCCCCCCCN=c1ccc(-c2cccs2)n[nH]1 1859792265 BSKJDXFCMNORNM-UHFFFAOYSA-N 317.502 5.180 30 10 DKEE CCCCCCCCCCCC(=O)NC[C@@H](C)c1ccccn1 1865984970 QJLJDGIKRYNPPP-GOSISDBHSA-N 318.505 5.222 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874589742 ASHBFIUNDXZYQB-ZHACJKMWSA-N 320.432 5.463 30 10 DKEE CCC#CC[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2005839436 ZXGRJTKJMWAOHB-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(C)c(Br)s2)CC1 2010765186 RECHPSJHCWMIEU-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE CCCc1c(-c2cc(Cl)c(Cl)s2)sc(C#N)c1N 2038534373 UFJAZGBTXSWGPJ-UHFFFAOYSA-N 317.266 5.190 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(Br)cc1C 2040530467 RALABYBKJNCKIR-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE C=CCC(C)(C)CN[C@@H](C)c1ccc(C)c(Br)c1 2043818536 QNANVATUVHPZJG-ZDUSSCGKSA-N 310.279 5.010 30 10 DKEE C=C1CC(CN[C@@H](c2cccs2)c2ccc(Cl)s2)C1 2090144428 VFSMIGGSQCBLBU-HNNXBMFYSA-N 309.887 5.108 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1c(Cl)cccc1Cl)NCC 2102111638 NZNAYAHOFCAEGE-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCCn1c(Cl)nc(Cl)c1CNC 2175469103 WTUURBLURWBAAB-UHFFFAOYSA-N 320.308 5.050 30 10 DKEE CCCCCCCCC[C@@H](CCP(C)(C)=O)NCCC 2177192824 DLGXPGFTBCIDFD-KRWDZBQOSA-N 303.471 5.508 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203957686 QTKVIZDFFNRADQ-CYBMUJFWSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCCC[C@H](NN)c1csc(Cl)c1 2207438405 RIOCPGFYYDGRQA-HNNXBMFYSA-N 314.926 5.603 30 10 DKEE CCCCCCCC[C@H](C)NCCCN(C)Cc1ccccc1 2212668182 UCXBGGMVVSPLRP-FQEVSTJZSA-N 318.549 5.237 30 10 DKEE CCCCCCC[C@H](N)c1sc(C)c(C)c1Br 2215910202 NZIZZNDRODFIID-LBPRGKRZSA-N 318.324 5.488 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)sc1Cl 2220081829 AEIHSYZZBKBTMR-GFCCVEGCSA-N 306.302 5.971 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(C)c(Br)c1 2227281735 HMMXOXFEGRPVNS-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE Cc1cc(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)sc1C 2234055162 AGDRYKAHDOTSLR-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE CC[C@@H](NCCC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 2238720235 QWKCCJUUTDQLAL-MRXNPFEDSA-N 312.284 5.474 30 10 DKEE Cc1cc2sc([C@@H](O)C#Cc3ccc(Cl)cc3)cc2s1 2239561277 IAEAXWMYYDSAGX-ZDUSSCGKSA-N 318.850 5.010 30 10 DKEE CCC[C@@](C=O)(CC)CN(Cc1ccccc1)CC1CCCC1 2244793972 BCJAUHHCRQVNJC-NRFANRHFSA-N 315.501 5.074 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)nc(Cl)c2)CCCCC12CCC2 2286802069 DLOOEZQEEJGACE-INIZCTEOSA-N 309.240 5.185 30 10 DKEE C=CCCCCCCCSc1c(F)cc(CO)cc1F 2287183753 WIOBXAYRPHHSBY-UHFFFAOYSA-N 300.414 5.076 30 10 DKEE C=CCCCCCC[C@@H](OCC(=O)O)c1cscc1Cl 2292421395 DMUAWNQHQIPXAR-CQSZACIVSA-N 316.850 5.070 30 10 DKEE C=C(C)CCCC[C@@](C)(OCCCN)c1ccc(Cl)s1 2292773114 XACTUCBMTKGMRJ-MRXNPFEDSA-N 315.910 5.119 30 10 DKEE C=CCC[C@@H](C)Oc1c(Cl)cc(C[C@H](N)CC)cc1Cl 2296271444 FSUSDRWOBGLOPY-DGCLKSJQSA-N 316.272 5.007 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Cl)c(Cl)c(Cl)c1 2321097070 YCHLMNWMZFPEBU-KBPBESRZSA-N 306.664 5.639 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1ccc(Br)cc1 2337093975 KOABMWLGFRKUOL-COXVUDFISA-N 322.290 5.235 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2344356604 MZQLUCJCDMCIBV-LSDHHAIUSA-N 304.236 5.385 30 10 DKEE C=C[C@@H](C)C[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2347979631 BDJTYSAJOLATEF-BMIGLBTASA-N 324.306 5.155 30 10 DKEE FC1(F)C[C@@]1(CS)CSCCCCCCCC1CC1 2351857889 PBMSHCMXIZQYFV-CQSZACIVSA-N 308.503 5.425 30 10 DKEE C=CCC(CC=C)Sc1c(Cl)cccc1CNCCC 2360370401 DOBSZNUKKWPPBU-UHFFFAOYSA-N 309.906 5.453 30 10 DKEE CSc1cccc(Nc2ccc(Cl)c(C)c2Cl)c1C#N 2365664447 CFTKBKBAGQPTDC-UHFFFAOYSA-N 323.248 5.639 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21 14475072 GQFQZGAVFMUVDX-JAXLGGSGSA-N 322.411 5.538 30 10 DKEE Cc1c(C)c(C)c(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(C)c1C 33374062 UHUYCLOSWNTDLW-KTKRTIGZSA-N 323.392 5.033 30 10 DKEE CCCCCCCCc1c(C)nn(C(=O)c2ccccc2)c1C 100458837 UTVBFSCPPNEVSG-UHFFFAOYSA-N 312.457 5.091 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccccc1Cl 109901207 IZEAKRAKDOLOCA-ZDUSSCGKSA-N 303.858 5.791 30 10 DKEE CC[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 109947511 SPQSJHPQLOAHTI-INIZCTEOSA-N 323.198 5.567 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCc2ccc(Cl)cc2)C1 165992820 LMWSDKMOYHLRNO-FRFSOERESA-N 307.890 5.682 30 10 DKEE CCCCCCCCCCCCc1cc(C(C)=O)ccc1OC 205609892 QHEVUAVKXVNTPT-UHFFFAOYSA-N 318.501 6.361 30 10 DKEE CCCCCCCCCC[C@@H](O)c1c(F)cc(F)cc1F 229275273 HSWDZEOLGAFROL-MRXNPFEDSA-N 302.380 5.668 30 10 DKEE CC(C)(C#N)CCCCSc1ccccc1Br 232524632 XPHLSCOZGVDAFM-UHFFFAOYSA-N 312.276 5.261 30 10 DKEE C=CCn1c(-c2ccccc2)csc1=Nc1cc(C)ccc1C 254740400 TXFYRJPEVDJEDO-UHFFFAOYSA-N 320.461 5.252 30 10 DKEE CC[C@@H](C)c1ccc(O)c(N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1 254742922 BPKLBAAQPKVDNQ-PMSWBQNUSA-N 324.380 5.230 30 10 DKEE Brc1ccc(C=Nc2ccc3ccccc3c2)cc1 254772571 ZKBFSKUQQHRGSH-UHFFFAOYSA-N 310.194 5.353 30 10 DKEE C[C@@H]1CCC[C@@H](SCc2ccc(Br)cc2C#N)C1 311197199 ITUWVIAOYYTWRY-IAQYHMDHSA-N 324.287 5.133 30 10 DKEE CCCCCCCCCCCCSC(CC)(CC)CO 322120199 NCENXDKCXPYOBE-UHFFFAOYSA-N 302.568 6.192 30 10 DKEE CC(C)Sc1ccc([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)cc1 390776936 NUDVJOUFVJJJSM-HZPDHXFCSA-N 318.291 5.137 30 10 DKEE CCCCCCCC[C@@H](NCC)c1snc(OC)c1Cl 708347381 SORCHHOLZATVIL-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE CCC1CCC(C=O)(CCc2cc(Cl)cc(Cl)c2)CC1 722135334 DUHBUEAWCPXTAX-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE Cc1ccc(C)c(C#Cc2cc(Cl)ccc2Br)c1 1614824793 AVWLEUVXJCHVEM-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CCCCCCCCCCNC(=O)CCc1ccc(C)cc1 1859577781 NXKLOCPLPZYVLB-UHFFFAOYSA-N 303.490 5.185 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874597392 JGVBZYPHNSSUEV-BUHFOSPRSA-N 316.400 5.525 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1ccc(Cl)c(Cl)c1F 1893158360 AWKJCIZASHVBHT-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1ccccc1OCc1ccccc1 1901005699 QJARNRFBZFOKIW-OAQYLSRUSA-N 308.421 5.067 30 10 DKEE CCCCCCCCC[C@]1(O)C[C@@H](C)Sc2sccc21 1919903151 KNVFYGPMBUAESO-PBHICJAKSA-N 312.544 5.961 30 10 DKEE C=CC[C@H](CC)N[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1935986933 NNGNOFFPYNATPE-ZBFHGGJFSA-N 318.461 5.039 30 10 DKEE C=CCC[C@@H](C)Cc1cc(Cl)c(C)c(Br)c1 1979831856 UMTVFFRODSUPCI-SNVBAGLBSA-N 301.655 5.556 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)[C@@H](C)CC 1995320206 RSSOFKRIQVWCDB-NRFANRHFSA-N 315.545 6.594 30 10 DKEE Cc1cc(C#N)nc(Oc2cc(Cl)c(Cl)cc2Cl)c1 2087754275 OVFDOOVMJUUPDC-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1cc2cscc2s1 2148578532 LRHTUFCDOBFQPD-CZUORRHYSA-N 311.516 5.074 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ccsc1Cl 2154628861 WALBKHQADALSKP-MRXNPFEDSA-N 315.954 6.712 30 10 DKEE C=C(Cl)CO[C@@H]1CCCCCCCCCC[C@H]1NCC 2178552724 YXJZNWNPHZXFTA-IAGOWNOFSA-N 301.902 5.017 30 10 DKEE C#CC[C@H](C)C[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2196855096 BRGJSDIKAJIXQO-WFASDCNBSA-N 303.858 5.118 30 10 DKEE CCCCCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1OC 2204243604 ZDBMGCHQRRVGLL-CQSZACIVSA-N 319.272 5.786 30 10 DKEE C=C[C@@H](CCCCC)OCc1cc(Br)cs1 2212482852 NRMTYUXGXNQIOD-LBPRGKRZSA-N 303.265 5.162 30 10 DKEE N#CC1(Cc2c(Br)sc3ccccc23)CC=CC1 2217953982 KNUGJICAORWZPV-UHFFFAOYSA-N 318.239 5.066 30 10 DKEE C=CCCCCCCC[C@H](NC)c1ccoc1Br 2220083897 HMOOBBVGLAWVQH-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=C[C@H](CCCCC)Oc1nc(Cl)c(Cl)cc1Cl 2223223282 OUOYOCRAYABKRK-SECBINFHSA-N 308.636 5.556 30 10 DKEE C=C1CC([C@H](NCCC)c2cc(Cl)c(Cl)c(Cl)c2)C1 2224386886 XHHLRUUVCQXZJL-HNNXBMFYSA-N 318.675 5.654 30 10 DKEE C=CCCCCCCC[C@@](C)(O)c1cccc(Cl)c1Cl 2235533106 RAHKGOUZXRXDLP-QGZVFWFLSA-N 315.284 6.118 30 10 DKEE C=CCCCCC[C@@H](O)c1sc(Br)c(C)c1C 2247229640 YTXONTJNCRAXOB-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE C=C(C(=O)c1cc(Br)c(F)cc1Cl)C(C)(C)C 2249381248 GBFJTIPKOICWCL-UHFFFAOYSA-N 319.601 5.027 30 10 DKEE CC(C)CC[C@H](C)[C@@H](C#N)c1ccc(Br)c(F)c1 2259001213 OBLBCBXFWAOGFA-WCQYABFASA-N 312.226 5.268 30 10 DKEE C=C(C)CCCC[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2353211510 TXTMXQQBRSJODO-MRXNPFEDSA-N 301.257 5.646 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1C[C@H](SC)C1 2360916722 JCQKWZHSFDIAHI-BZSNNMDCSA-N 300.552 5.800 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ncc(C(F)F)s1 2370521494 JPPYCVOTBTZZBR-WFASDCNBSA-N 302.434 5.114 30 10 DKEE C[C@@H](c1ccc(Cl)cc1)N(C)CC1(CS)CC(C)(C)C1 2371146651 KQFRTOPBWASWSW-ZDUSSCGKSA-N 311.922 5.069 30 10 DKEE O=C(/C=C\c1cccc(Cl)c1)/C=C\c1cccc(Cl)c1 33374041 AGUILNAYEDJFSM-XOHWUJONSA-N 303.188 5.289 30 10 DKEE Cc1ccc([C@H](C#N)CCOc2cccc3ccccc23)cc1 57684725 VXPGBBRJCPTYQF-IBGZPJMESA-N 301.389 5.225 30 10 DKEE CC(C)Oc1c(Cl)cc(/C=N/Nc2ccccc2)cc1Cl 82251796 YFZGNOGDGAGPFR-VXLYETTFSA-N 323.223 5.227 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(Cl)c2)CC1 86955316 XCGBDOMNYWCOPR-HUUCEWRRSA-N 304.865 5.619 30 10 DKEE CCCCCCCCCCCCCCCC[C@@H](CC)C(=O)O 100306453 OHIOERKSFVRABL-LJQANCHMSA-N 312.538 6.969 30 10 DKEE C=CC[C@H](CC)c1cc(Br)ccc1Br 107509994 FJEKGEUBBBVXNT-VIFPVBQESA-N 318.052 5.281 30 10 DKEE Cc1ccc(C#N)c(Oc2ccc(Cl)cc2Br)c1 110261358 OTUYIUSJHOECAS-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC[C@@H](CSc1cccc(Cl)c1)NC 117527373 YJMUZUUUNBKVMU-INIZCTEOSA-N 313.938 5.771 30 10 DKEE C#CC[C@H](CC)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 129741820 JMGWTTNHZVSWSN-ZJUUUORDSA-N 304.648 5.099 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc2c(s1)CCCCC2 157963845 CQELEVCCAMNAKQ-QGZVFWFLSA-N 307.547 6.158 30 10 DKEE CCCCCCCOc1cc(Cl)nc(-c2ccccc2)n1 159019740 WLVRDNUDUFMYDE-UHFFFAOYSA-N 304.821 5.146 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1cc(Cl)ccc1Cl 167027022 BRZVXLGSHSSVNY-MRXNPFEDSA-N 316.316 6.004 30 10 DKEE CCCCCCCCOc1ccc(C=O)c(C(F)(F)F)c1 167225981 FKNPCFZHYQLJAK-UHFFFAOYSA-N 302.336 5.257 30 10 DKEE CC[Si](C#C/C=C/C#C[Si](CC)(CC)CC)(CC)CC 195754666 NFAAVLBMWXESLY-BUHFOSPRSA-N 304.626 5.645 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccsc1Cl 312529840 GFNRQMDZRNHYHH-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE N#C[C@@H](CSc1cc(Cl)cc(Cl)c1)C1CCCC1 397168576 ANCRYADWCSANQA-NSHDSACASA-N 300.254 5.415 30 10 DKEE CC[C@H]1CCCCC[C@H]1Nc1ccc(Br)cc1C#N 691074426 JYKONGZZNWRXGZ-SWLSCSKDSA-N 321.262 5.092 30 10 DKEE CN(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCCCCC1 698857588 KJLNYILLFTZTRX-UHFFFAOYSA-N 322.493 5.420 30 10 DKEE CC[C@H]1CCC[C@@H](Nc2ccc(Br)c(C#N)c2)CC1 709685595 NQHSETWMQJSRKI-GXTWGEPZSA-N 321.262 5.092 30 10 DKEE CCCCCCCCNC(=O)C[C@H](c1ccc(F)cc1)C(C)C 1868191919 AUZAUQFUGZNZCX-IBGZPJMESA-N 321.480 5.432 30 10 DKEE CC#CCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 1885239224 ZSWKBBGSUWCJIL-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE CCCCCCC[C@@](C)(O)c1scc(Br)c1C 1922958929 CMEHDFAJWLSRPD-CQSZACIVSA-N 319.308 5.387 30 10 DKEE C=CCCCCCCCCNC[C@@H](C)N(C)Cc1ccccc1 1995326048 SENQDIXNMHBHDA-HXUWFJFHSA-N 316.533 5.013 30 10 DKEE CCCCCCC[C@H](N)c1cc(C)cc(Br)c1F 2028916782 CVCORYAUISLKTC-AWEZNQCLSA-N 316.258 5.257 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccc(C)cc1C 2070123504 LWYWURZJEFAZHT-KRWDZBQOSA-N 306.453 5.138 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1ccc(Br)cc1F 2085282159 AKPOVXBRWYFFRE-MPKXVKKWSA-N 310.210 5.022 30 10 DKEE C=CCC[C@@H](C)N[C@@H](CCC)c1ccc(Oc2ccccc2)cc1 2087918898 RUAVHBUMYSOBCN-GCJKJVERSA-N 323.480 6.264 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1c(Cl)cccc1Cl 2102111999 PTMUNRUQIOTEFC-BLLLJJGKSA-N 300.273 5.636 30 10 DKEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1ccc(Cl)s1 2128013911 SCXRTUKPFWORHM-SSDOTTSWSA-N 315.200 5.239 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H](O)c1cscc1Cl 2148604691 YYPAEIXNXWXUBR-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2cc(Cl)c(Cl)s2)cc1C 2156093549 KBLAFMTVWUMCLE-NSHDSACASA-N 324.232 5.162 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2ccccc2SC(C)C)N1 2158459411 YGTJUCMKHGFPOT-INIZCTEOSA-N 308.516 5.070 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(F)c(F)cc1Cl 2168662065 SMLMSUWXQVBHBR-INIZCTEOSA-N 301.808 5.405 30 10 DKEE C#CCCCC[C@H](NCCC)c1cc(C(F)(F)F)cs1 2173497233 KKPFMXKMSCUVBA-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCCCCC[C@H](O)[C@H](NCC)c1ccc(Cl)s1 2207453274 LCGQCURPWMHUFY-BBRMVZONSA-N 317.926 5.164 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Cl)c(OC)cc1Cl 2266785989 ALNUCJILQHAMFL-CQSZACIVSA-N 302.245 5.138 30 10 DKEE CCCCCCCCC[C@H](C)NCc1cscc1Cl 2278231346 YSBVIUKUXOPUOV-AWEZNQCLSA-N 301.927 6.020 30 10 DKEE C=CCC[C@@H](C)[C@H](OCCCN)c1ccc(Cl)c(Cl)c1 2294229683 BSUNZNLROZVHDV-WBMJQRKESA-N 316.272 5.002 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)c(F)cc1CNC(C)C 2337272512 JXDSZZJWRMFVKO-NSHDSACASA-N 301.858 5.034 30 10 DKEE C=C(C)CCCC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2341121328 HOIPILNXERKPOV-INIZCTEOSA-N 300.273 5.390 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352388282 MJLKSFLNUHNEAB-AWEZNQCLSA-N 304.236 5.530 30 10 DKEE C=CCCCCCCCNCc1ccc(Cl)c(Cl)c1C 2364490829 SXYINNLXUZKFBV-UHFFFAOYSA-N 314.300 5.918 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc(OC)c(Cl)s1 2365890146 BVQVUSZEKLWYLD-ZDUSSCGKSA-N 315.910 5.587 30 10 DKEE CCCCCCCC[C@H](C)NCc1cc(Cl)cc(Cl)c1 2366818973 OGHIVRISKFFGSE-AWEZNQCLSA-N 316.316 6.222 30 10 DKEE CC1(C)CCC(C#N)(Cc2cc(F)c(Cl)cc2Cl)CC1 2377391500 DSJRKFCPIGLSNW-UHFFFAOYSA-N 314.231 5.785 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1cc(F)c(Cl)cc1Cl)NC 2377410719 APPIMBPEBOJGKP-CVEARBPZSA-N 318.263 5.255 30 10 DKEE CCOc1ccc(/C=C\C(=O)Sc2ccc(Cl)cc2)cc1 33281405 SLPQOTDLSRIWMG-XGICHPGQSA-N 318.825 5.071 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C\C(=O)O 85993760 JFQBNOIJWROZGE-FMBGQKGYSA-N 304.474 5.596 30 10 DKEE endogenous,in-man CCC(CC)(CS)CSc1ccc(Cl)c(Cl)c1 94589587 MESGVMDLTONGFK-UHFFFAOYSA-N 309.327 5.822 30 10 DKEE CCCCCCCCO[C@H](CN1CCCCC1)c1ccccc1 95694391 SDANJJMHFVLBDU-OAQYLSRUSA-N 317.517 5.591 30 10 DKEE CC(C)(C)c1cccc(OCCCCCCCCCS)c1 97799762 YEKXOINCYTUEKK-UHFFFAOYSA-N 308.531 6.023 30 10 DKEE CC(C)c1ccc(SCCCCCCCCCS)cc1 97800076 WYYIQXRWYKOXKT-UHFFFAOYSA-N 310.572 6.563 30 10 DKEE CCCCCCCOc1ccccc1CNCC1CCCCC1 100045946 VDIQYOOOSKKWET-UHFFFAOYSA-N 317.517 5.706 30 10 DKEE N#Cc1cc(F)ccc1N[C@@H](c1cccs1)C1CCCC1 126320050 MTKNCPNIQAINKT-QGZVFWFLSA-N 300.402 5.102 30 10 DKEE CC[C@@H](Nc1cc(C#N)ccc1Cl)c1cccc(Cl)c1 127801904 FGVMRMCERUXNOB-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE CCCCCCCCCOc1cccc(N)c1Br 157007262 GTIITURAOSODMD-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE CCCCCCCCCC[C@H](NC)[C@@H]1SCCS[C@H]1C 162203009 FQJPCWGDHRXKKV-YESZJQIVSA-N 317.608 5.342 30 10 DKEE CCCCCCC[C@H](NC)c1ccccc1OC(F)(F)F 163652775 UHWOTATZNVSKTF-AWEZNQCLSA-N 303.368 5.206 30 10 DKEE CCCCCCCCC[C@@H](CCc1ccsc1)NCCC 165358238 YKVHAUZDBSBCRX-IBGZPJMESA-N 309.563 6.190 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1cc(C)c(Cl)s1 226662547 GEUWZJSNZHVFIT-OAHLLOKOSA-N 315.954 6.631 30 10 DKEE CCCCCCCCC(=O)c1cc(Br)c(C)s1 227710756 DMSNKRURWVIYFG-UHFFFAOYSA-N 317.292 5.752 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cccc2ccsc12 228969165 MVGFUICYFREIAJ-GOSISDBHSA-N 303.515 6.303 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 250537175 ZCLWNHPEQRQLIR-YESZJQIVSA-N 301.499 5.736 30 10 DKEE CC[C@@H](C#N)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 309212240 HMAAKQHJRXIXJN-BYPYZUCNSA-N 317.430 5.971 30 10 DKEE CC[C@H](C#N)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 309212246 HMAAKQHJRXIXJN-SCSAIBSYSA-N 317.430 5.971 30 10 DKEE CCCCCCCOc1ccc(Br)c(Cl)c1 313536862 RNENBTCRHBHUDR-UHFFFAOYSA-N 305.643 5.452 30 10 DKEE CC(C)(C)[C@@H](C#N)CNc1c(Cl)cc(Cl)cc1Cl 397504015 CNFOLSWIKUACNG-QMMMGPOBSA-N 305.636 5.245 30 10 DKEE C=C(C)CCC(=O)[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 406002664 ZHJNSBQCUWIDEJ-AWEZNQCLSA-N 317.429 5.063 30 10 DKEE CCOc1ccc(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)cc1 606208264 AFBXLYBOKJADLH-NVNXTCNLSA-N 308.421 5.279 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1csc(C(F)(F)F)c1 703314616 ZRIWUXWQGDOZBA-LLVKDONJSA-N 316.735 5.097 30 10 DKEE CSc1c(SC(F)(F)F)sc2cccc(C#N)c12 725292458 XTRDTADCLOIXFV-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE CSc1c(SC(F)(F)F)ccc2sc(CC#N)cc12 725318328 DNCLWQQAASHZQB-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCCCCCCCCCNC(=O)c1cc2ccccc2n1C 1861872720 QXCQBQOAOHXSIO-UHFFFAOYSA-N 314.473 5.049 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCCCC1CC1)NCCC 1902165751 ONLKIXSSMALRML-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Br)cs1 1919987564 NDLXMEKVNUTUIN-AWEZNQCLSA-N 319.308 5.469 30 10 DKEE C=CCCCCCCNc1cccc(OCc2ccccc2)c1 1995169597 SGTGLWMCBJNYQJ-UHFFFAOYSA-N 309.453 5.814 30 10 DKEE C=CC[C@H](C)C[C@H](NCCC)c1cccc(Br)c1 2050519164 PXRLZIIKGKHZAS-BBRMVZONSA-N 310.279 5.092 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Br)ccc1C 2082516998 JOYBNFSBRPRASO-MRXNPFEDSA-N 313.279 5.326 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Br)oc1C 2085848815 FEEGOUZGJSTVEH-AWEZNQCLSA-N 314.267 5.138 30 10 DKEE C=CCCCCCOc1ccc(Cl)c([N+](=O)[O-])c1Cl 2098379371 QZMVKAVANHRMCZ-UHFFFAOYSA-N 304.173 5.027 30 10 DKEE C=CCCCCCC[C@@H](N)Cc1ccc(Cl)cc1Cl 2141913505 IWABBAPYKMBCEL-OAHLLOKOSA-N 300.273 5.390 30 10 DKEE CC(F)(F)[C@H]1CCCCN1CCCCCCCCCS 2160121584 JASSVEPMGWAPQJ-OAHLLOKOSA-N 307.494 5.157 30 10 DKEE C#CCCC[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164189023 DWYOLKIOLGKQKY-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(Cl)ccc1OC(F)F 2164216325 YJUJIMNMEYQAAA-LBPRGKRZSA-N 324.198 5.125 30 10 DKEE CCCCCCCCN(C)c1nc(Cl)nc2ccsc12 2196713983 VYYIQUOZJRQKCL-UHFFFAOYSA-N 311.882 5.141 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(F)c(F)cc1Cl 2206891293 KGYVRAYZIAPWTG-INIZCTEOSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1cc(C)c(Cl)s1 2207429115 GBYSJLTYBJEIOZ-OAHLLOKOSA-N 313.938 6.407 30 10 DKEE C=CCCCCCCNc1ccc(Br)c(F)c1F 2223452438 MAFPIBCREQZFKY-UHFFFAOYSA-N 318.205 5.276 30 10 DKEE C=CCCCCCCCNc1c(C)cc(Br)cc1C 2227273222 QESZBEYMNJJDSU-UHFFFAOYSA-N 324.306 6.004 30 10 DKEE CCCCCCCC[C@H](C)Nc1cccc(Cl)c1Cl 2231924431 RBIQRTHMOYBXRX-ZDUSSCGKSA-N 302.289 6.544 30 10 DKEE C=C[C@@H](CCCCC)OC[C@@H](NCC)c1ccc(Cl)s1 2239491091 XMTOMZAUENVHLD-UONOGXRCSA-N 315.910 5.204 30 10 DKEE CCCCCCCCCCCOC[C@H](C(N)=S)C(C)C 2239550843 XLAUOBWAAORZCK-INIZCTEOSA-N 301.540 5.092 30 10 DKEE CCCCCCCC[C@@](C)(O)C(=O)c1cc(Cl)sc1C 2240636750 AMVOQXAEKDRMQN-MRXNPFEDSA-N 316.894 5.394 30 10 DKEE C=C[C@H](C)CCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2260239963 GCMONOPHFYLEBG-VHSXEESVSA-N 306.664 5.510 30 10 DKEE CCCCCCCOc1cc(Cl)sc1CNC(C)C 2272659559 AGYWYPPTXZMZOF-UHFFFAOYSA-N 303.899 5.249 30 10 DKEE CCCCCCCC[C@H](NC)c1cnc(C(C)(F)F)s1 2289210540 FQOLXBWJRLXHOT-LBPRGKRZSA-N 304.450 5.266 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(Cl)c1Br 2304121697 DQYVSCSEEXGQPE-UONOGXRCSA-N 317.654 5.128 30 10 DKEE Cc1c(COC[C@H](CS)C(C)(C)C)ccc(Cl)c1Cl 2339471755 NNSHLQKIVWJUDD-GFCCVEGCSA-N 321.313 5.411 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cccc(Cl)c1C(F)(F)F 2370503480 KZOSLHCUYNXZJK-CQSZACIVSA-N 304.739 5.534 30 10 DKEE C=C(c1ccccc1)[C@H](NC)c1cc(F)c(Cl)cc1Cl 2377374833 ORMUWMFVRFIJKG-INIZCTEOSA-N 310.199 5.106 30 10 DKEE Cc1ccn2c(CC#N)c(-c3ccc(-c4ccccc4)cc3)nc2c1 31921761 AJAPAJBYZRXMGC-UHFFFAOYSA-N 323.399 5.043 30 10 DKEE Cc1ccc(N/N=C/c2ccc(OC(C)C)c(Cl)c2)cc1C 82252412 COLNNTIDUHUWDH-RGVLZGJSSA-N 316.832 5.190 30 10 DKEE CCCCCCCCCCCCN[C@H](C)c1nc(C)cs1 112981079 KSGZQPWJEWNUSV-QGZVFWFLSA-N 310.551 6.023 30 10 DKEE CCCCc1ccc(OCC(CS)(CCC)CCC)cc1 126532867 USXWYNXGVWXXQB-UHFFFAOYSA-N 308.531 5.924 30 10 DKEE CCCCCCCCCCn1c(N)nc2cc(Cl)ccc21 129441997 WQDZOBCKACIRQM-UHFFFAOYSA-N 307.869 5.413 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ncc(Cl)cc1Cl 233610667 GTNPSONZLFBUSV-CQSZACIVSA-N 301.261 5.176 30 10 DKEE N#Cc1ccc(F)cc1CSc1cc(Cl)cc(Cl)c1 302503565 APAOLUMQWYQCKL-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE Fc1ccc(Cl)c(OCC2(CS)CCCCCC2)c1 311721127 MFGSTYKTZCGLKK-UHFFFAOYSA-N 302.842 5.128 30 10 DKEE CCCCCCCCC[C@H](CN)N(Cc1ccccc1)C1CC1 383547626 GKBZJVSJNKQTEP-OAQYLSRUSA-N 316.533 5.119 30 10 DKEE N#CCCCCCNc1ccc(Br)c2ccccc12 395323883 NTXUDUXUDULESH-UHFFFAOYSA-N 317.230 5.098 30 10 DKEE N#C[C@H](CSc1nc2ccccc2s1)C1CCCCC1 397206532 SUUXFXWVOCOVSY-CYBMUJFWSA-N 302.468 5.108 30 10 DKEE CCCCCC(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405926945 QECFULWMFNUOSV-SDNWHVSQSA-N 317.429 5.196 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cc2cscc2s1 686693452 NIFUBNXOGIERSH-OAHLLOKOSA-N 305.512 5.587 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(Cl)sc1Cl 709386660 RLMSEXOERGNGKT-DMDPSCGWSA-N 318.313 5.840 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 715751262 YNSFADRSTKKJMK-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CCCC(C)(C)NCc1ccc(SC(F)(F)F)cc1 717917491 XCLAZQHALVBCEM-UHFFFAOYSA-N 303.393 5.133 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cc3cscc3s2)CC1 724608605 XLYZUJYEGMDDMA-OAHLLOKOSA-N 305.512 5.750 30 10 DKEE Clc1cccc(N=Cc2cccn2-c2ccccc2)c1Cl 1084513918 BEDKNYJLAFCYSY-UHFFFAOYSA-N 315.203 5.535 30 10 DKEE CCCCCCC[C@]1(N)C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 1896579844 BHNPVOFRBCYICO-TUFLPTIASA-N 315.501 5.060 30 10 DKEE C=CCCCCSc1cc(Cl)c(N)cc1Br 1984518649 HXPBRULBCATZNW-UHFFFAOYSA-N 320.683 5.133 30 10 DKEE CCCCCCCCCN(C)[C@H]1CC[C@H]1OCc1ccccc1 1990780125 YKUKAHICLSLJTI-LEWJYISDSA-N 317.517 5.417 30 10 DKEE CCCCCCCCCOCc1cccc(Br)c1 2080315116 GGCVYRASDPWMEO-UHFFFAOYSA-N 313.279 5.716 30 10 DKEE CCCC#CC[C@@H](NCCC)c1scc(Cl)c1Cl 2083409827 FFGLMMYZFLBMHB-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cccc(C)c2Br)C1 2087884047 AWQJSRPSWGHKOF-PBHICJAKSA-N 320.274 5.410 30 10 DKEE N#C[C@H](c1ccccc1Br)[C@@H]1CCC2(CCCC2)C1 2098998671 NADNVYHEXJIBKM-HIFRSBDPSA-N 318.258 5.417 30 10 DKEE CCCCCCCCCCCCCc1nnc(Cl)s1 2121359307 UGYOVPLHDKSQDU-UHFFFAOYSA-N 302.915 6.045 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1ccc(Cl)s1 2142451026 RRIFSYVQYPLJSS-CYBMUJFWSA-N 300.899 5.213 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H](O)c1cc(Cl)cs1 2148584616 XSRPICRBKRCIPM-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)cc(F)c1F)C(C)(C)C 2152943312 NVEBPLKHGNHROM-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1csc(C(F)(F)F)c1 2158324259 OMYIOSHFCDGZHP-BXUZGUMPSA-N 305.409 5.410 30 10 DKEE CCCCCC(C)(C)CN=C1N[C@H](c2cccs2)CS1 2175635308 ADDSJNDQCUTBIM-ZDUSSCGKSA-N 310.532 5.088 30 10 DKEE CC(C)CCCCCCN=C1N[C@H](c2cccs2)CS1 2175637702 YCMKENHNPIYWKZ-AWEZNQCLSA-N 310.532 5.088 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1cscc1F 2181869850 JGCCTNUTAYWUHV-INIZCTEOSA-N 300.487 5.313 30 10 DKEE CCCCCCCCCCCCS[C@H]1CCC[C@@H](O)C1 2189932765 AYVJZNNGUPRPGO-MSOLQXFVSA-N 300.552 5.944 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2203788303 XCHIZZUDGZHJTH-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1csc(C(F)F)n1 2207436329 KFOXPJCVRSICLT-GFCCVEGCSA-N 302.434 5.387 30 10 DKEE CCCCCCCCCOCc1cc(Br)ccn1 2223241784 ODUHWIMUXNJXLO-UHFFFAOYSA-N 314.267 5.111 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Br)s1 2250156256 JXIJNQFZCMQLCP-GFCCVEGCSA-N 316.308 5.298 30 10 DKEE C=C(C)CCCCNc1cc(Cl)c(Br)cc1C 2250164297 SFTORBNOAJJJAZ-UHFFFAOYSA-N 316.670 5.569 30 10 DKEE C=C[C@@H](C)CCN[C@H](C)c1cc2cc(Br)ccc2o1 2273029614 AHASFDMCGRJZOY-VXGBXAGGSA-N 322.246 5.058 30 10 DKEE CCCCCCCCCCCCN1CC(P(C)(C)=O)C1 2286175825 BMYKEYFQCVOSIG-UHFFFAOYSA-N 301.455 5.214 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1ccc(Cl)c(Cl)c1 2293838970 CTHKCHSDZDWREZ-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(C(F)(F)F)s1 2294993400 DKJGUVXWVUHHJP-LBPRGKRZSA-N 305.409 5.683 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc(Cl)ccc1F 2295597518 WISSLDKHDXLKKF-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE C=CCC(CC=C)SCc1cccc(F)c1Br 2298915526 JQIWINTWUFYHBB-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE C=CCCCC[C@H](NCC)c1csc(C)c1Br 2303641055 YQTKIRKESFZNGN-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC(C)Oc1ccc(C=NNc2ccc(Cl)cc2)cc1Cl 2322953168 VBHNRSBWYKNCSK-UHFFFAOYSA-N 323.223 5.227 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2344358760 WLAIGJNGCPVBSC-SJCJKPOMSA-N 324.306 5.319 30 10 DKEE CC[C@H]1CC[C@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2349886957 PDTHFXJTULCSCF-ZUZCIYMTSA-N 303.204 5.070 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1c(Cl)cccc1Cl 2365070187 IIAKHGWCUJDXQW-SWLSCSKDSA-N 310.268 5.084 30 10 DKEE CC(C)(C)c1cc(/C=N/Nc2ccccc2)c(O)c(C(C)(C)C)c1 6906299 NUXAOINQSNATJH-HYARGMPZSA-N 324.468 5.433 30 10 DKEE C=CCn1c(-c2cccc3ccccc23)nc2cc(OC)ccc21 43256080 BLLROYREWXXWMF-UHFFFAOYSA-N 314.388 5.051 30 10 DKEE CCOc1cc(C)c(C(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 83193600 KRNGYOWQFYGDEU-JXMROGBWSA-N 314.812 5.252 30 10 DKEE N#CC1(CCOc2cccc(Br)c2)CCCCCC1 87945818 DKJRRRPTCFLSSK-UHFFFAOYSA-N 322.246 5.082 30 10 DKEE CCCCCCCOc1ccccc1CNCCCCCC 100048264 XSBKKRWHOZSAKH-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE CCCCCCCn1c(-c2ccccc2C)nc2ccccc21 102195042 GXXSBAPFJDRAPY-UHFFFAOYSA-N 306.453 5.982 30 10 DKEE CCCCCCCC[C@@H](c1ccn(C)c1)n1nnc2ccccc21 102997082 JHPOJNJRTIWUNQ-IBGZPJMESA-N 324.472 5.110 30 10 DKEE N#Cc1ccccc1Nc1ccc2cc(Br)ccc2c1 124459041 ZNHUUAQOCSEHES-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(F)ccc1Cl 127681153 SKHSQCMHGAPJIN-INIZCTEOSA-N 300.849 5.124 30 10 DKEE CCCCCCC[C@H](O)c1ccc(F)c(F)c1Br 231867932 RDAZBABSHGYYJS-LBPRGKRZSA-N 321.205 5.121 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ccc(Cl)c(Cl)c1 307899635 OLYOLQXPZPNMNZ-KRWDZBQOSA-N 317.300 6.342 30 10 DKEE C=CCCCCCCN[C@H](CC)c1cccc(Br)c1 312056400 FTCHPTAZJGNJKD-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1ccc(SC(F)F)cc1 690183391 FYYKFYYSOQBMDF-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CCC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CC1 698879427 QQZABZAHIRETQH-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE Cc1ccc(NN=Cc2cccc(Cl)c2Cl)cc1Cl 1084270178 CFTIBISNWUJKRA-UHFFFAOYSA-N 313.615 5.401 30 10 DKEE CC(C)Sc1ccccc1Nc1ncc2c(c1C#N)CCCC2 1859511123 OCOXXJKAHVSDPC-UHFFFAOYSA-N 323.465 5.076 30 10 DKEE C=C(C)CN(CCCCCCCNCCC)Cc1ccccc1 1900664016 UALFABCBRFKISN-UHFFFAOYSA-N 316.533 5.015 30 10 DKEE C=C(C(C)(C)C)[C@@](C)(O)c1cc2cc(Br)ccc2o1 1919632056 VCDMEOVOIHBGQO-MRXNPFEDSA-N 323.230 5.005 30 10 DKEE CCCCCCCCO[C@](C)(C(=O)O)c1csc(Cl)c1 1919767260 XIORXYZFLKYWTA-HNNXBMFYSA-N 318.866 5.078 30 10 DKEE N#CC1(CN(Cc2ccccc2)CC2CCCC2)CCCCC1 1979312861 UPQNDBWWSBQZAL-UHFFFAOYSA-N 310.485 5.153 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@H]1C[C@@H]1C1CCCCCC1 1993110501 BDHKVXRPSXYIRB-FGZHOGPDSA-N 311.513 5.671 30 10 DKEE CCCCCCCC[C@@H](CN)N(Cc1ccccc1)[C@H](C)CC 1995333694 CNWACXSPUOREEW-CTNGQTDRSA-N 318.549 5.365 30 10 DKEE C=CC1(CNc2cc(Cl)c(Br)cc2F)CCC1 2002638726 ZRDSGZQZXHPRLR-UHFFFAOYSA-N 318.617 5.010 30 10 DKEE CCCCCCCCCCCCNCCC=CBr 2051146108 NPAOAKQARYRJJP-UHFFFAOYSA-N 318.343 5.796 30 10 DKEE Cc1cc(C)c([C@H](C)n2nc(C3CCCCC3)cc2C#N)c(C)c1 2070085996 VVUBMDOPJACHQB-KRWDZBQOSA-N 321.468 5.337 30 10 DKEE C[C@H]1C[C@](C=O)(CCc2cc(Cl)cc(Cl)c2)CCS1 2103460114 SUCCBWAEOYBYOY-NHYWBVRUSA-N 317.281 5.027 30 10 DKEE C[C@H](Nc1cc(Br)ccc1C#N)C1CCCCCC1 2116849067 GVRICUMYLGLQKM-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(F)c(Cl)cc1Cl 2138949526 CWKVHAVGDJFYPF-NSHDSACASA-N 306.252 6.293 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1cc2cscc2s1 2173640906 ZBFJWMSGDBKHOY-GOEBONIOSA-N 305.468 5.106 30 10 DKEE CCCCC#CC[C@@H](NCC)c1cc(C(F)(F)F)cs1 2203808040 RZTIBQXSGQTBMK-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2206800890 FLXNJVVYGWSVQQ-CQSZACIVSA-N 308.771 5.753 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1ncc(Cl)s1 2207449686 RNSPRVKORZSWHD-CQSZACIVSA-N 314.926 5.754 30 10 DKEE C=CCCCCCCC[C@H](NC)c1csc(C(F)F)n1 2235520764 CKQZAPFIBMMMFF-LBPRGKRZSA-N 302.434 5.258 30 10 DKEE C=CCCC[C@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 2236307279 RBGDVTDWPVHHPA-NSHDSACASA-N 305.771 5.193 30 10 DKEE C[C@H](Nc1ccc(CC#N)cc1)c1cc(Cl)cc(Cl)c1 2237995315 CQLJVNMRUGUXPD-NSHDSACASA-N 305.208 5.233 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(C)sc1Br 2250162510 ZRGUSTLYINOWAB-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE Cc1cccc(Nc2c(Br)cccc2C#N)c1Cl 2257497033 UVYCTPYJQCRESE-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC1(CCNc2c(Br)cccc2C#N)CCCCC1 2269692783 MMJVNXQQIMYTRH-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CCCCCCCCSCCNCc1ccc(C)s1 2287079267 LHXCKJPFWFWECB-UHFFFAOYSA-N 311.560 5.406 30 10 DKEE CCCN[C@H](CC#CC1CCCC1)c1ccc(SC)s1 2289898721 HMDGHDARCSWVFZ-OAHLLOKOSA-N 307.528 5.094 30 10 DKEE CCCCCCCCC[C@@H](C)NCC(F)(F)C(F)(F)F 2295669293 SLHXJCSOLLEOBP-GFCCVEGCSA-N 303.359 5.303 30 10 DKEE CC(C)c1ccc(C(=O)C=CNc2ccc(F)c(Cl)c2)cc1 2296876172 ZSLRNVQGWZBNNS-UHFFFAOYSA-N 317.791 5.411 30 10 DKEE C=CCN(CCCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2341140503 ZXDFAAPQGBUQPE-UHFFFAOYSA-N 300.273 5.213 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cccc(Br)c1C 2344394324 BPXKPEUJBWNEPD-INIZCTEOSA-N 324.306 5.401 30 10 DKEE CC(C)(C)[C@](C)(CS)CSc1nc2ccccc2s1 2352324412 OVCAYZXEFQRJQT-OAHLLOKOSA-N 311.541 5.371 30 10 DKEE CSc1cc(N[C@@H](C)c2ccc(Cl)s2)ccc1C#N 2353830354 CFHFUTFEXUWYDQ-VIFPVBQESA-N 308.859 5.168 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2364006783 KATWOYOUZMMEKC-IUODEOHRSA-N 314.300 5.425 30 10 DKEE C=CCCCCCCCC[S@@](=N)(=O)CC[C@H](C)C(F)F 2364119377 MDJGOJCGNGBFDO-VBKZILBWSA-N 309.466 5.241 30 10 DKEE CCC#CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366812432 FPXZMLJKPWMBCC-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2370526676 XCFGTZHZJDQUCO-IAGOWNOFSA-N 314.300 5.506 30 10 DKEE CCCCCCCCCn1c(-c2ccccc2)nc2ccccc21 50861314 ZBEBYYFDXRXOJQ-UHFFFAOYSA-N 320.480 6.454 30 10 DKEE Cc1ccc(N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 82252216 MUNLOTTYHIKISK-PXLXIMEGSA-N 316.404 5.020 30 10 DKEE Cc1c(OC(C)C)ccc(C(=O)/C=C/c2ccc(F)cc2)c1C 83193550 VIXVDVLQWCAAIR-YRNVUSSQSA-N 312.384 5.126 30 10 DKEE CCC(CC)(CS)CSc1cccc(C(F)(F)F)c1 94589308 ZPBFKKAEOVOKBG-UHFFFAOYSA-N 308.434 5.534 30 10 DKEE Fc1cc(OCCCCCCCCCS)ccc1Cl 97799863 HWJCCELQLQNZDL-UHFFFAOYSA-N 304.858 5.518 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(SC)cc1 109901020 PFGJQPWIYJUKAN-CQSZACIVSA-N 315.507 5.860 30 10 DKEE CCCCCCCCO[C@@H](c1ccc(Cl)s1)[C@H](N)CC 109988946 DNSGJDLOKLSTMO-CZUORRHYSA-N 317.926 5.557 30 10 DKEE CCCCCCCCCCCC[C@H](N)CSC(C)(C)C 115644976 ZQYIFARGGDJWIX-KRWDZBQOSA-N 301.584 6.156 30 10 DKEE CCCCCCCCCCCC(=O)c1ccc(N)cc1Cl 115862798 WQOWMMORNRAYOL-UHFFFAOYSA-N 309.881 6.026 30 10 DKEE CCCCCCCCCC(=O)c1ccc(Br)o1 124961651 UEXNIKKHPISAGF-UHFFFAOYSA-N 301.224 5.366 30 10 DKEE CCCCCCCC[C@@H](NC)[C@H](C)Oc1cccc(Cl)c1 140314224 AGOKIMKLAVUNSY-MAUKXSAKSA-N 311.897 5.446 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc2c(s1)CCSC2 158966262 IJHKSXXRXCXNIY-OAHLLOKOSA-N 311.560 5.549 30 10 DKEE CCCCCCCCC[C@H](O)c1cccc(OC(F)F)c1 168176013 STKPXNYAGVSBSJ-INIZCTEOSA-N 300.389 5.462 30 10 DKEE CCCCCCCCC[C@H](O)Cc1cccc(Cl)c1F 213685997 LCEMYECALGAEBE-HNNXBMFYSA-N 300.845 5.523 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1ccccc1Br 233164421 AZHWWWRFLRIUFF-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE C=CC[C@@H]1N(C(=O)OC(C)(C)C)CCCC[C@@]12CC=CCC2 238080141 RRFRRVGRIPTXGP-LPHOPBHVSA-N 305.462 5.079 30 10 DKEE C=CCNc1cc(C)nc(Nc2c(C(C)C)cccc2C(C)C)n1 242853493 GAZIKQRGMANIDM-UHFFFAOYSA-N 324.472 5.373 30 10 DKEE N#Cc1cc(CSc2cc(Cl)cc(Cl)c2)ccc1F 302634437 DQNCESTVYSSHNR-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1c(Cl)cccc1Cl 306593315 WXUXADQXDKUDRF-KTKRTIGZSA-N 313.033 5.028 30 10 DKEE CC(C)C[C@@H](C)[C@@H](C#N)Sc1cccc(Br)c1 310089901 DLGCUWMAXGEWOR-BXUZGUMPSA-N 312.276 5.116 30 10 DKEE C#CCCCCC[C@H](NC)c1ccc(OCc2ccccc2)cc1 686689016 DNRIKRWJJVDXME-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CC(C)(C)C)c1 698471191 SVIXWTGLLPFUNG-MRXNPFEDSA-N 316.445 5.065 30 10 DKEE CC[C@@](C#N)(C(C)C)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698925840 ZASFVKCLQMRVOX-LJQANCHMSA-N 316.445 5.065 30 10 DKEE CCCCCCCC[C@@](C)(N)c1c(Cl)cccc1Cl 704515872 PDHUAWXLEODSIB-MRXNPFEDSA-N 302.289 5.918 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC(C)(C)CC1 710742603 VFLPFPKBHIANPN-BEFAXECRSA-N 322.493 5.275 30 10 DKEE CC(C)C1CCC(C=O)(C[C@@H](C)COCc2ccccc2)CC1 719590753 FFCQRSWLWRUCNO-KMFTYDHNSA-N 316.485 5.261 30 10 DKEE C=C1CCC(CC(=O)c2cc(C)cc(Br)c2)CC1 724585024 XCQTWJCHENXAGW-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1ccc(Cl)c(Cl)c1F 1893158605 DWWMRGPZIAFKDX-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)C1CCCCC1 1938421553 QSCIXDJSKPVGMU-INIZCTEOSA-N 322.493 5.132 30 10 DKEE CCCCCCCC[C@@H](CN)N(Cc1ccccc1)[C@@H](C)CC 1995333695 CNWACXSPUOREEW-FPOVZHCZSA-N 318.549 5.365 30 10 DKEE CC(C)(C)c1ccc(C#N)c(N(Cc2ccccc2)C(C)(C)C)n1 2017160724 LYNNNNGYIFTSQH-UHFFFAOYSA-N 321.468 5.056 30 10 DKEE CCCCCCCCC[C@@H](O)C(=O)c1sccc1Cl 2090882692 UYZDDBZZMBUEPE-CYBMUJFWSA-N 302.867 5.086 30 10 DKEE C=CCCCC[C@@](C)(N)c1cc2cc(Br)ccc2o1 2123083560 KCHZHIDTQCWQNV-MRXNPFEDSA-N 322.246 5.116 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc2cscc2s1 2207438181 SICKHHUVCPSYEJ-HNNXBMFYSA-N 308.512 6.303 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@@H](CS)C(C)(C)C 2217704233 JENOSPQTBDKTBS-JTQLQIEISA-N 307.286 5.273 30 10 DKEE C#C[C@@H](CC(C)C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2226334731 IGEXGABMJNIRNC-QWRGUYRKSA-N 318.675 5.345 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Br)ccc1C 2227290145 YVBQKCHNSSWQDJ-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE CC1CC2(C1)CC(C#N)(Sc1ccc(Br)cc1)C2 2254138790 YCLHCSWDWHSPFX-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(N)c1c(Cl)cccc1Cl 2284092223 XAPNZIVTYGYJKM-QGZVFWFLSA-N 310.268 5.163 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccsc1C(F)(F)F 2287468596 WQUVTMXLSBMINI-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE C=C(C)CCCC[C@H](NC)c1sc(C(F)(F)F)cc1C 2295011135 KIUZWQVINBUNKN-LBPRGKRZSA-N 305.409 5.472 30 10 DKEE C=CCC(CC=C)Sc1c([N+](=O)[O-])ccc(F)c1Cl 2335183729 VSKOGQWOTFAZCB-UHFFFAOYSA-N 301.770 5.000 30 10 DKEE C=C1CC(C[C@@H](NCC)c2cc(F)c(Cl)cc2Cl)C1 2349851543 DINKLVZKYZMPJF-OAHLLOKOSA-N 302.220 5.139 30 10 DKEE C=CCC(CC=C)Sc1cccc(Cl)c1C[C@@H](N)CC 2360208742 SPYFNKDORTZHHW-ZDUSSCGKSA-N 309.906 5.233 30 10 DKEE C=C([C@@H](NCCC)c1c(F)ccc(C)c1Cl)[Si](C)(C)C 2360720395 SBXAVQJESHUJSN-MRXNPFEDSA-N 313.920 5.262 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1ccc(Cl)c(Cl)c1C 2364053868 PBFGYSXGYRTGKM-OCCSQVGLSA-N 314.300 5.425 30 10 DKEE FC(F)(F)c1ccc(OC[C@H](CS)CC2CC2)c(Cl)c1 2366678063 XZMQHEXKUMOJIK-SNVBAGLBSA-N 324.795 5.084 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1sccc1C)N2 20688273 RDFUTLUEYRFDJM-GPMSIDNRSA-N 323.461 5.448 30 10 DKEE CCOc1ccc([C@@H](C#N)Cc2cc(C(C)C)ccc2OC)cc1 57761273 XDKUAJFGSSBCBP-LJQANCHMSA-N 323.436 5.067 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)C1 91880628 ZYRQGFMFBKPQJV-LYRGGWFBSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCCSc1nc(C)c(C(=O)O)s1 112721025 GNGFAEASHWHMTJ-UHFFFAOYSA-N 315.504 5.383 30 10 DKEE CCCCCCCCCCCC[C@H](N)CS[C@@H](C)CC 115645861 VJVBPTFFQKKZQO-ROUUACIJSA-N 301.584 6.156 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(C)c(Br)c1 167747225 VIBJAUTUQBPKGR-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCC/C=C\CCC/C=C/C=C/C(=O)N1CCCCC1 225454012 OVIAKACTZLFBOR-CCUQQVLRSA-N 317.517 5.808 30 10 DKEE biogenic CCCCCCC[C@@H](NCCC)c1cc(C)c(Cl)s1 226678521 VQNBOVWCCBITHU-CQSZACIVSA-N 301.927 6.111 30 10 DKEE CCCCc1ccc(N=C/C=C(\O)c2ccc(OC)cc2)cc1 252599403 DIMBTYZUFNUBLH-WVMGNHETSA-N 309.409 5.339 30 10 DKEE C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/O)C2=O 254387439 QDATXTHLLOKPTJ-ZGOFJUPPSA-N 302.458 5.040 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1coc(Br)c1 378902237 FGMBLFVYNCOPSR-CQSZACIVSA-N 317.267 5.086 30 10 DKEE C=CCCCCCOc1cc(Cl)cc(Br)c1 697997492 ORLFEBXOZIVHEZ-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)c(Cl)c1F 1893126070 UJFWLEMPYBSVHD-MWLCHTKSSA-N 301.192 5.017 30 10 DKEE N#Cc1c(Cl)cccc1Nc1ccc(Cl)c(Cl)c1F 1893160406 ZNQOKDPZRPUIGA-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CC1(C[C@@H](O)c2ccc(OCc3ccccc3)cc2)CCC1 1980021985 KUFPYKGHZDALKF-HXUWFJFHSA-N 308.421 5.045 30 10 DKEE C=CCCCCNc1cc(Br)cc(C(F)(F)F)c1 2059121457 UGUJAMSSEAWYTQ-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE CC[C@H](c1ccccc1C)n1nc(C2CCCCC2)cc1C#N 2070115934 BRHNPDGWAIGXGV-HXUWFJFHSA-N 307.441 5.110 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(C)c(Br)c(C)c1 2123080613 OLNZBJAGNNGOPP-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE CCCCCCCC[C@H](O)COc1ccc(Cl)cc1Cl 2152448629 YOOTUYGGAJEDFR-AWEZNQCLSA-N 319.272 5.484 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc(C)c(Cl)s1 2164487725 PHZQKZPGSOIYJX-HNNXBMFYSA-N 315.954 6.501 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@@H]1N 2172985845 AUVIRKZZQWFIGE-FUHIMQAGSA-N 301.455 5.247 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc2sc(C)cc2s1 2196836779 MFYCWNDKOWLFJI-TZMCWYRMSA-N 305.512 5.361 30 10 DKEE C=C[C@@H](N[C@H](c1cccs1)c1ccc(Cl)s1)C1CCC1 2197830778 PBLFDSBIDWGKKY-MLGOLLRUSA-N 323.914 5.497 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc(C(F)F)cs1 2206885242 KYLLYFCNLOSXPI-AWEZNQCLSA-N 301.446 5.863 30 10 DKEE C=C(C)CC[C@@H](NCC)c1sc(C)c(Br)c1C 2213744651 LODUZLQYRSMACC-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=CCCC[C@H](NCC)c1sc(C)c(C)c1Br 2215908752 HUDGHEFZAHWHCA-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1ccc(Cl)cc1Cl 2231538862 RBLWHLGFGYBRPF-LRDDRELGSA-N 300.273 5.116 30 10 DKEE C=CCCCSc1ncc(Br)c2ccsc12 2244567820 SCTMQNMNBJINHV-UHFFFAOYSA-N 314.273 5.117 30 10 DKEE C=C(C)CCCC[C@H](O)c1c(Br)sc(C)c1C 2250162339 XNFVYNUSSYORBC-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE C=CCCCSC[C@@H](NCC)c1ccc(Cl)cc1Cl 2271503619 UJIIVMOHVPIMPX-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE Cc1c(Oc2cc(Cl)c(Cl)cc2Cl)ccnc1C#N 2272801299 KOPADYYAHBKQTP-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE CC1CC2(C1)CC(SCCCCCCCCCS)C2 2273381050 OXCAFZUVVBQXQR-UHFFFAOYSA-N 300.577 5.959 30 10 DKEE CC(=CC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 2297322102 GAINXKLXTLABTA-UHFFFAOYSA-N 306.192 5.192 30 10 DKEE CC1CCC(CSc2ccc(Br)cc2C#N)CC1 2313835842 JQZSRLBGDPHLTQ-UHFFFAOYSA-N 324.287 5.239 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(Cl)sc1Cl 2315466447 WIPSRLACMNNQTC-CKYFFXLPSA-N 304.286 5.450 30 10 DKEE CC1(C)CC(CS)(COc2ccc(Cl)cc2Cl)C1 2321741430 NXEAZUMFNNTUOU-UHFFFAOYSA-N 305.270 5.108 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1scc(Cl)c1Cl 2338748158 XDAMFXHNPAUGCI-AWEZNQCLSA-N 318.313 5.864 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cc(F)c(Cl)cc1Cl 2377397471 BJZNPOLRGCQAIR-ZBEGNZNMSA-N 318.263 5.255 30 10 DKEE C/C(=N/Nc1ccccc1C(F)(F)F)c1ccccc1Cl 33763156 SDERYZCCCYALPR-JMIUGGIZSA-N 312.722 5.195 30 10 DKEE COc1ccc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)cc1 37155047 YNZFRVOSMZLQCH-CKEIUWERSA-N 303.471 5.142 30 10 DKEE C[C@H]1CC/C(=N/Nc2nc(-c3ccc(Cl)cc3)cs2)C1 40859882 FDFJAFXMIJWFOL-ZPEMJIOOSA-N 305.834 5.051 30 10 DKEE CC(C)c1ccccc1/N=C1/N[C@]2(CCC[C@H](C)C2)CS1 53098935 GZRGXAQEEURAJA-KSSFIOAISA-N 302.487 5.083 30 10 DKEE Cc1cc(C)c([C@H](C#N)Cc2c(F)cccc2Cl)c(C)c1 57740241 MXNQOAVUEICVGD-AWEZNQCLSA-N 301.792 5.254 30 10 DKEE CCCCCCCCNc1ccccc1OCC(F)(F)F 59431414 MELQTDCBBFVRNI-UHFFFAOYSA-N 303.368 5.400 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@](C#N)(Nc2ccccc2Cl)CC1 86959673 RRZYCZRFDICIOT-KDOFPFPSSA-N 304.865 5.641 30 10 DKEE Cc1ccc(C(=O)/C=C/c2cc3ccccc3c3ccccc23)cc1 90377784 FOUVUBTWCIZYHG-CCEZHUSRSA-N 322.407 6.198 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccc(Cl)c(Cl)c1 109713849 JKFPFWQJMWYEKS-AWEZNQCLSA-N 303.273 5.647 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cc2sccc2s1 122698604 IYOUAWSPHJNSEO-AWEZNQCLSA-N 324.559 5.998 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1c(Cl)cnn1C 129699465 KRHCLTULTANEKE-MRXNPFEDSA-N 313.917 5.255 30 10 DKEE CCCCCCCCCCCC[C@@H](CCSC)NCC 143499185 AKNYKJLEFQFGBF-SFHVURJKSA-N 301.584 6.029 30 10 DKEE CCSc1cccc(N[C@H](CC)c2cccs2)c1C#N 167585228 VOCRHGWQKIXXGM-CYBMUJFWSA-N 302.468 5.295 30 10 DKEE Cc1cccc(Cl)c1Nc1cc(Br)cc(C#N)c1 227622138 ZDXWAZNOBYYKDD-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccccc1N=Cc1ccc(C=Nc2ccccc2C)cc1 254486600 BSYIITQHPOGZMO-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE CCCCCCCCCNc1cccc(SC(F)F)c1 690184409 IXJJFEWYFRYDOY-UHFFFAOYSA-N 301.446 6.164 30 10 DKEE Cc1c(Cl)cc(N=C2N[C@H](C(C)(C)C)CS2)cc1Cl 690283261 QSUZNAZNRORIKZ-LBPRGKRZSA-N 317.285 5.040 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1NCC1(C#N)CCCC1 691055286 METZKKGFZVRDSQ-UHFFFAOYSA-N 320.436 5.070 30 10 DKEE C=C(CNc1ccc(Br)c(F)c1C)c1ccccc1 694050019 QSYJQSNVIDZAEP-UHFFFAOYSA-N 320.205 5.022 30 10 DKEE CC[C@@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698912936 XAMQHUHKQOJEKL-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCCCCCCN[C@@H](C)c1ccc(F)cc1Br 703771328 OSKKWLIQTXRJQC-LBPRGKRZSA-N 316.258 5.209 30 10 DKEE C[C@@H]1CC(C#N)(CCc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 724253082 WVGHSIVUXBVKQQ-VXGBXAGGSA-N 312.240 5.023 30 10 DKEE C=CC[C@H](C)OC[C@@H](NCCC)c1cccc(Cl)c1Cl 1913349826 XMXHLTXNACTTDV-SWLSCSKDSA-N 316.272 5.015 30 10 DKEE Cc1cccc(C#N)c1N(Cc1ccccc1)Cc1cccs1 1915433046 MBXATYXUFRSHMS-UHFFFAOYSA-N 318.445 5.135 30 10 DKEE CCCCCCCCCNc1csnc1Br 1926859218 UCKKEUGGADSUIC-UHFFFAOYSA-N 305.285 5.068 30 10 DKEE C=CCCCCC[C@@H](N)c1c(Br)sc(C)c1C 1951102780 IEPKUDBYPDMKGE-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE CCCC[C@](C)(C=O)Cc1cc(Br)ccc1Cl 2001881385 QFVHVQRIQDVDEV-AWEZNQCLSA-N 317.654 5.040 30 10 DKEE CCC[C@]1(C)CSC(=Nc2c(Cl)cc(F)cc2Cl)N1 2090411661 KRXGCLOCJBWFPK-CYBMUJFWSA-N 321.248 5.015 30 10 DKEE C#Cc1ccccc1CNc1cc(Cl)c(Cl)cc1Cl 2113850736 WAQWRWUUOAVHMB-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(C)cc1Cl 2136675344 HLSLCLZWGZNBMP-MRXNPFEDSA-N 302.289 5.923 30 10 DKEE C=CCCCCCC[C@H](NCC)c1snc(Cl)c1Cl 2141906883 YVFVSBIBWVAHLM-NSHDSACASA-N 321.317 5.627 30 10 DKEE CCC#CC[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2174095658 MKKLMMMDEQBZBP-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cc3c(s2)CCSC3)CC1 2181643951 SZDYWYNCLRTGNE-GFCCVEGCSA-N 306.496 5.103 30 10 DKEE CCSc1ccccc1Nc1cc(Cl)c(F)cc1C#N 2184420675 SMTYDUHHEFHAMM-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE CCCCCCCCCCNc1c(C)cc(Cl)cc1Cl 2201065352 PORQBDWRXHHZFI-UHFFFAOYSA-N 316.316 6.854 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cc(Cl)ccc1Cl 2231535441 GVSGQBYAELUYOL-LRDDRELGSA-N 300.273 5.116 30 10 DKEE N#Cc1ccc(SC23CC4CC(CC(C4)C2)C3)cc1Cl 2238172796 CXJIJYBQAMWJMS-UHFFFAOYSA-N 303.858 5.273 30 10 DKEE FC1(F)CCCC[C@@H]1CSC[C@@H](CS)c1ccccc1 2283149191 VEKKIBAJISHSMF-HUUCEWRRSA-N 316.482 5.259 30 10 DKEE CC(C)(C)C#CC=CCc1ccc(Cl)c(C(F)(F)F)c1 2284109519 AGQOWUXEBPPXTD-UHFFFAOYSA-N 300.751 5.507 30 10 DKEE C=CCCCCCCCS[C@H]1CCC(F)(F)[C@@H]1NCC 2287189401 MJLUBHOMRJDDOI-LSDHHAIUSA-N 305.478 5.022 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2319289924 ZQHICNBDWHLATH-CQSZACIVSA-N 306.664 5.654 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 14464871 JMCQCLKGRXXARE-JZXOWHBKSA-N 306.796 5.038 30 10 DKEE C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1c[nH]c2ccccc12 20508916 FPPIYLOWELTTMI-ASAQIREPSA-N 324.387 6.334 30 10 DKEE C=CCCCCOc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1 33563361 QDRUPYCXOVTHOR-SREVYHEPSA-N 323.392 5.500 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)sc1Cl 59291252 YSXLHYODRSNMQK-GFCCVEGCSA-N 308.318 6.066 30 10 DKEE CCCCn1c(Cl)c(C#N)c2cc(Cl)c(Cl)cc21 71466284 HRWDENFEZUVEKB-UHFFFAOYSA-N 301.604 5.273 30 10 DKEE O=C(/C=C\c1ccccc1C(F)(F)F)c1cc2ccccc2o1 96766987 XOGRLURMIBNFLC-KTKRTIGZSA-N 316.278 5.348 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2cccc(Cl)c2Cl)cc1 104271843 FXROHUXXHISGGF-KTKRTIGZSA-N 306.192 5.110 30 10 DKEE C/C(=C/C(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 104725335 MESRVRXMCJMIEO-NTMALXAHSA-N 324.182 5.331 30 10 DKEE CCCCCCCOc1ccccc1CNc1ccc(O)cc1 106528243 RMAYACOFGSRAAA-UHFFFAOYSA-N 313.441 5.354 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(Cl)cc1Cl 109752916 LWVUIAGHJGJDHQ-LLVKDONJSA-N 322.707 6.808 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 110217113 GEYFHHFSQRGDLO-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE CSc1cccc(N[C@H](C)c2ccc(Cl)s2)c1C#N 127018694 YHCWKILRKJSILV-SECBINFHSA-N 308.859 5.168 30 10 DKEE CC(=NO)c1ccc(C)cc1OCc1c(Cl)cccc1Cl 252453796 VIMHEKQJOUQSNO-UHFFFAOYSA-N 324.207 5.079 30 10 DKEE CCN(C(=Nc1ccc(Cl)cc1)SC)c1ccccc1 254590525 WUTKJTGDXVXIEF-UHFFFAOYSA-N 304.846 5.217 30 10 DKEE C[C@H]1CC=C(C(=O)c2c(Cl)cccc2Br)CC1 304270719 KNNFNCQJAZSPGF-VIFPVBQESA-N 313.622 5.032 30 10 DKEE CCCCCCC[S@@](=O)CCOc1ccc(C(C)(C)C)cc1 586304334 KIAZOZGSXHNYIJ-JOCHJYFZSA-N 324.530 5.082 30 10 DKEE C=C1C[C@H]2CC(NCc3cc4cscc4s3)C[C@@H](C1)C2 693980147 MPWJOUKAYNRRDJ-NNQSOWQGSA-N 303.496 5.187 30 10 DKEE CCCCCCCNc1sc(C(=O)CC)c(N)c1SC 703788566 WRCAQJJITKUNQU-UHFFFAOYSA-N 314.520 5.027 30 10 DKEE CCCCCCCCNC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 1871277102 SZKYRQCHMJOKFR-TZMCWYRMSA-N 320.304 5.054 30 10 DKEE C=CCOc1ccccc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874589931 KDRVIANRIHBLED-ZHACJKMWSA-N 306.405 5.073 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc(Cl)ccc1Cl 1919617096 ZDYQGDVHZDRIPX-QGZVFWFLSA-N 317.300 6.342 30 10 DKEE CCCCCCCCCCC(=O)CCCOCc1ccccc1 1976716071 SLRQUPITQOKLFK-UHFFFAOYSA-N 318.501 6.083 30 10 DKEE CCCCC#CC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 2024387256 RCJXIFLGSAKDLQ-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=CCCCC[C@H](NCC)c1cccc(C)c1Br 2059114178 HGGZWTUSRCHBPO-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C(C)C)c(C#N)c1Cl 2079092679 GQRUZIHPBOKJIK-INIZCTEOSA-N 315.848 5.148 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)cc1F 2085839985 SYATXGOYLDXETF-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=C(C)CC[C@@H](C)NC1CC(c2ccccc2Br)C1 2096544487 GZTQLRZAVBBITN-WLYUNCDWSA-N 322.290 5.030 30 10 DKEE C=CCC(C)(C)Cn1c(S)nc2ccc(Cl)c(Cl)c21 2103440078 WTBTUFZGMSTQCM-UHFFFAOYSA-N 315.269 5.234 30 10 DKEE C#CCCCCC[C@H](NCCC)c1snc(Cl)c1Cl 2110897374 RJZDUVATIVGQJT-NSHDSACASA-N 319.301 5.074 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccc(F)cc1Br 2117012936 DWVNZWHRJSAKEA-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C=CCCCCCC[C@@H](O)Cc1ccc(Cl)c(Cl)c1 2141910505 ZDMPDUZGGWSLLL-CQSZACIVSA-N 301.257 5.423 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H]1SCC[C@@H]1C 2150856023 IVMJAABCKFCLSE-OKZBNKHCSA-N 300.552 5.800 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 2158329455 WSLOSNAILXAZAE-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C=C([C@@H](NCCC)[C@@H]1CCCCCC1(F)F)[Si](C)(C)C 2164908322 CIPYVGZYLXHTPF-LSDHHAIUSA-N 303.513 5.004 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(C(F)(F)F)cc1Cl 2182510711 DKYRDVLMAQAZMJ-ZDUSSCGKSA-N 309.734 5.273 30 10 DKEE CCCC#CC[C@H](NCC)c1cc(-c2cccs2)cs1 2203821402 DCTWTQLUPYCUMF-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE CCCCCCCC[C@@H](O)C(=O)c1cccc(Cl)c1Cl 2207444125 GYNXHJSGNXFAHN-CQSZACIVSA-N 317.256 5.288 30 10 DKEE FC(F)(F)Oc1ccc(SCCCCCCS)cc1 2227642105 CWPYTPRDQSZZCD-UHFFFAOYSA-N 310.406 5.168 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1scc(Br)c1C 2250164131 QYQUTKKRPBXBGZ-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1ccc(Br)c(F)c1 2258994433 CUIGLGSSUUSFFR-WXHSDQCUSA-N 310.210 5.022 30 10 DKEE CCCCCCCC[C@@H](NC)c1sc(Cl)cc1OC 2278265441 BXOJFJNVTKJTCX-GFCCVEGCSA-N 303.899 5.421 30 10 DKEE C=CCCCCCCCC[C@H](N)c1csc(Cl)c1OC 2284265551 VQWVMHQHQMNQOK-AWEZNQCLSA-N 315.910 5.717 30 10 DKEE CCCCCCCCC[C@@H](OCCN)c1ccsc1Cl 2294461350 NGBQVBZXDARJAF-OAHLLOKOSA-N 317.926 5.559 30 10 DKEE CC(C)c1ccc(C(=O)C=Cc2ccc(O)c(Cl)c2)cc1 2325793553 AMFOCKGPGYQOKM-UHFFFAOYSA-N 300.785 5.065 30 10 DKEE C=CCC(CC=C)Sc1ccc([C@H](C)NCC)c(Cl)c1 2360366109 CXFOEYXEGCOGRK-ZDUSSCGKSA-N 309.906 5.623 30 10 DKEE C#Cc1ccccc1N[C@@H](C)c1cc(Cl)cc(Cl)c1F 2365440955 DWAGDDVEKIZLQA-JTQLQIEISA-N 308.183 5.287 30 10 DKEE CCCCCCCCOc1cc(Cl)c(C(=O)O)c(Cl)c1 2366417046 XLUJWHGIBHJHBG-UHFFFAOYSA-N 319.228 5.431 30 10 DKEE C=C(C)CCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2366805416 GQTYWTRCTPYTLU-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1c(F)ccc(F)c1Cl 2370482928 PWOPLRYGPOFWLL-CVEARBPZSA-N 301.808 5.261 30 10 DKEE C[C@@H](Nc1cccc(OCC#N)c1)c1ccc(Cl)c(Cl)c1 37069596 RAUBYWZPJPOJMW-LLVKDONJSA-N 321.207 5.069 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)c1ccsc1 109722179 KAVSERFVIBRSKT-IBGZPJMESA-N 309.563 6.710 30 10 DKEE C=CCSc1ccccc1NCc1ccc(Cl)c(F)c1 109900684 RSIVAPHPNGWYTD-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE Cc1ccc(C#N)cc1NCc1cc(-c2cccs2)cs1 109945148 DVIWODGFINXHMJ-UHFFFAOYSA-N 310.447 5.269 30 10 DKEE CCCCCCCCCCOC(=O)Nc1ccc([N+](=O)[O-])cc1 111351757 LYVUCZOQWJNQEI-UHFFFAOYSA-N 322.405 5.284 30 10 DKEE CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)[O-] 111385072 QCTZUSWOKFCWNB-QXMHVHEDSA-N 311.554 6.598 30 10 DKEE CCCCCCCCCC[C@H](CSC1CCCCC1)NC 115647525 UEUXVWKJTAWNSE-GOSISDBHSA-N 313.595 6.171 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1c(Cl)cc(F)cc1Cl 123321647 RNKQBRGYWUKVMK-TVQRCGJNSA-N 301.192 5.017 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)c1cnsn1 143501837 WHZPSDQIXXNIQC-INIZCTEOSA-N 311.539 5.500 30 10 DKEE CCCCCCCCCCC[C@H](NCC)c1csc(C)c1 168891676 KKVWYYPZBRBRTF-IBGZPJMESA-N 309.563 6.628 30 10 DKEE CCCCCCCCCCCCc1cc(S)c(O)c(CO)c1 206704921 KPWAOIFRNRXWGY-UHFFFAOYSA-N 324.530 5.637 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CCC(C)C)c1 698467912 IWKFFSSCYZQITO-KRWDZBQOSA-N 316.445 5.065 30 10 DKEE CC(C)c1ccc([C@H](C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 1868179595 UJFGPULRBDEYKY-HXUWFJFHSA-N 320.436 5.060 30 10 DKEE C=C([C@@](O)(CC)c1ccc(Cl)c(Cl)c1)[Si](C)(C)C 1922958830 BTHAQEXNKTURGH-AWEZNQCLSA-N 303.305 5.025 30 10 DKEE C=CC1(C[C@@H](N)c2ccccc2OCc2ccccc2)CCC1 1980026184 FYFUHNQKUZLXQP-LJQANCHMSA-N 307.437 5.012 30 10 DKEE C=CCCCC[C@H](O)c1cccc(NC(=O)OC(C)(C)C)c1C 1984554669 QPVQBZMFIPOFPZ-KRWDZBQOSA-N 319.445 5.122 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1sc(C)cc1Br 2000448148 OVISXFCWUMQKLU-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CCC[C@](C)(C#N)Cc1cc(Cl)c(C)c(Br)c1 2002349447 PFQMDUAVLLTROB-AWEZNQCLSA-N 314.654 5.283 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Br)cs1 2009494924 YDVQMUSDDIKVCO-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE CC[C@@](C#N)(Cc1ccc(Br)cc1Cl)C(C)C 2012412771 PTQKENPCZLYILI-AWEZNQCLSA-N 314.654 5.221 30 10 DKEE Cc1ccc([C@@H](C(C)C)n2nc(C3CCCCC3)cc2C#N)cc1 2070091577 IYOFQLMTDJVZIZ-OAQYLSRUSA-N 321.468 5.356 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc(C)cc(Br)c2)CCC1 2111711195 LOHWOWYDPIRNAJ-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE C#CCCCCCC[C@H](NCC)c1ccccc1Br 2113421935 KKZXTFHTFVDYCL-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccsc2C(F)(F)F)C1 2157654455 OEKQNJFVFIFXAO-SMDDNHRTSA-N 301.377 5.420 30 10 DKEE CCCN[C@H](CC#C[Si](C)(C)C)c1cc2cscc2s1 2187480427 JCPYBINYGFGZKG-CQSZACIVSA-N 321.587 5.274 30 10 DKEE CCCCCCCCCN1CC[C@@H](P(C)(C)=O)C1(C)C 2195535642 RFCVGMUCNSVJBU-MRXNPFEDSA-N 301.455 5.213 30 10 DKEE CCCC#C[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2213339130 IMTUNFVDYZNVHL-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE C=C[C@H](CCCCC)Oc1ncc(Br)cc1Cl 2216929807 XYFFAJVHHDQARE-LLVKDONJSA-N 318.642 5.011 30 10 DKEE C=CCCCCCCC[C@H](O)c1c(F)ccc(F)c1Cl 2235536923 ZQSZFNPJPNPFPS-AWEZNQCLSA-N 302.792 5.568 30 10 DKEE C=CC1(CC(=O)c2scc(Br)c2Cl)CCC1 2242656872 RMPWUWFVDIJLBE-UHFFFAOYSA-N 319.651 5.093 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1sc(Cl)cc1Br 2244975430 CGSZZSUKJRUOEF-KWQFWETISA-N 322.699 5.027 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2266801175 YLRUYRBZLGQYCS-CQSZACIVSA-N 302.245 5.009 30 10 DKEE Cc1cc2sc(C(=O)CC=CC#CC(C)(C)C)cc2s1 2284116268 SKHAAYMNXWBFJX-UHFFFAOYSA-N 302.464 5.450 30 10 DKEE CCCCCC=CC=C1C=CC(=O)[C@@H]1CC=CCCCC(=O)O 2296557500 BHHHGDAJJMEHST-GOSISDBHSA-N 316.441 5.006 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)c(F)cc1CN[C@@H](C)CC 2362430725 CMWKINQGTUHCTD-NWDGAFQWSA-N 315.885 5.424 30 10 DKEE Cc1c(CC2(C#N)CCCCCCC2)ccc(Cl)c1Cl 2364000831 CUJIGNSCBGHQPS-UHFFFAOYSA-N 310.268 6.099 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2370526942 YPINQNNJJDRTNX-IRXDYDNUSA-N 314.300 5.945 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)s1 43640067 APDMSYWSHHFZNO-JTQLQIEISA-N 324.232 5.107 30 10 DKEE N#C[C@@H](CCOc1ccc2ccccc2c1)c1ccccc1F 57686707 MTCLFNRDRVANIV-QGZVFWFLSA-N 305.352 5.055 30 10 DKEE C=CCC[C@H](C)Nc1cc(Cl)c(C)cc1Br 131707063 IUQFJRHYBWOJOP-JTQLQIEISA-N 302.643 5.178 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1Cc2ccccc2S1 135559899 MGLGQNMTXRUJOD-HKUYNNGSSA-N 306.515 5.595 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2cccc(Cl)c2F)CC1 167058169 RXXOUXUHQNOCEY-PDOTXMHQSA-N 309.812 5.013 30 10 DKEE CC(C)(C)C#CCOc1ccc2cc(Br)ccc2c1 311442690 VNKINSVHIQCIAA-UHFFFAOYSA-N 317.226 5.031 30 10 DKEE N#C[C@H](CSc1ccc(Cl)cc1Cl)c1ccccc1 322742858 ZBNTVDHSWXZPLO-GFCCVEGCSA-N 308.233 5.393 30 10 DKEE CCCCCCCCCCc1c[nH]c2ccc([N+](=O)[O-])cc12 388972281 YIZCBZSLEBPWPC-UHFFFAOYSA-N 302.418 5.759 30 10 DKEE C=CCC(C)(C)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl 389038131 MFCCXHCQZXZVKD-JTQLQIEISA-N 304.236 5.385 30 10 DKEE C=CC[C@H](CC)N[C@H](C)c1ccc(OCc2ccccc2)cc1 393774516 DFXKODOYYXVCBN-XLIONFOSSA-N 309.453 5.271 30 10 DKEE CCOc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1 606521351 IFNHAFYSVMXDCX-UHFFFAOYSA-N 316.404 5.258 30 10 DKEE CC(C)C(C)(C)CSc1cc(Br)ccc1C#N 718794574 ZKDVOWLFECXNHJ-UHFFFAOYSA-N 312.276 5.095 30 10 DKEE C=C1CCC(C[C@H](NCCC)c2scc(C)c2Cl)CC1 724615777 HTICNEKSWWHGFD-HNNXBMFYSA-N 311.922 5.887 30 10 DKEE FC(F)(F)c1cccc(C#Cc2cccc(Cl)c2Cl)c1 1614825961 CSUYGILQLTTXDX-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE C/C(CCc1ccccc1)=N\OCC(=O)c1ccc(C(C)C)cc1 1860465664 KWBJYWSXIKYROW-OQKWZONESA-N 323.436 5.018 30 10 DKEE CC[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871420721 ATTJJVYLBAMQHN-VUQQOUJSSA-N 322.404 5.097 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Cl)c(Cl)c1F 1893153672 XOLRSMKQBPLYFB-LLVKDONJSA-N 306.252 6.293 30 10 DKEE CCCCCCCCC[C@]1(O)C[C@H](C)Sc2sccc21 1919903159 KNVFYGPMBUAESO-YOEHRIQHSA-N 312.544 5.961 30 10 DKEE C=CCCCCCCN(C)Cc1csc(Br)c1 2026021940 OLDPNVYUXZNHJF-UHFFFAOYSA-N 316.308 5.079 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(OCc2ccccc2)cc1 2026064790 RNSUTWACBQPSIH-QFIPXVFZSA-N 324.464 5.826 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccccc2Br)CC1 2100882783 LFJWHNWPAFWLKD-KRWDZBQOSA-N 320.274 5.492 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(Br)cc1C 2123081492 XGTZUQOJAXNQLZ-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCC#CCC[C@@H](NCC)c1ccccc1Br 2138982361 VWVOQWTYNFWKQG-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2139133593 YINLSKRFNGKADS-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=C(F)C[C@H](NCC)c1ccc(-c2ccccc2Cl)s1 2182513657 SXMTZHBTSMKUKV-AWEZNQCLSA-N 309.837 5.592 30 10 DKEE CC#CCCC[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2194060209 VIKCUKBRFJZNIB-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE CC#CCCC[C@H](NCCC)c1cscc1C(F)(F)F 2194067848 RCXAUSHXDLLHIE-AWEZNQCLSA-N 303.393 5.001 30 10 DKEE CCCCCCCCN(C)Cc1cc(Cl)c(N)c(Cl)c1 2196740524 DQOTVLZCYHHLBV-UHFFFAOYSA-N 317.304 5.368 30 10 DKEE Cc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1C#N 2199346892 XSBDRABSWGRRBJ-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=C1CCC(C[C@@H](N)c2ccc(-c3cccs3)s2)CC1 2205876118 DRLBMFABJQTZJJ-CQSZACIVSA-N 303.496 5.613 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(Cl)cccc1Cl 2227274917 WBZAINWHZUTPFW-HNNXBMFYSA-N 300.273 5.910 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)CCC1CC1 2235457527 JYGWCUOWDZWEQC-FQEVSTJZSA-N 301.540 5.754 30 10 DKEE C=C[C@H](CC)OC[C@@H](NCCC)c1cc(Cl)ccc1Cl 2239489478 IYMCUZMRFOCXSQ-CZUORRHYSA-N 316.272 5.015 30 10 DKEE C=C(C)CC[C@H](NCC)c1sc(Cl)cc1Br 2244970714 FJYIIKPOPHUVHX-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(Cl)c(Br)c1 2250145262 KFTBKCZTTYIRAC-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(SC(F)(F)F)cc1 2287408975 ORULMNHISYAIPH-CQSZACIVSA-N 303.393 5.435 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2289697626 JGKGAXKNZSEBAA-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE Cc1cc2sc(C(=O)C#Cc3ccccc3Cl)cc2s1 2295160067 UIDNZKGYBQHMNE-UHFFFAOYSA-N 316.834 5.159 30 10 DKEE CCCCCCCCOC(=O)c1c(C)cc(Cl)nc1Cl 2295354013 HAPBHMFQFNTFJG-UHFFFAOYSA-N 318.244 5.214 30 10 DKEE CCCCCCCCC[C@@H](C)NCC[C@@H](C)P(C)(C)=O 2295668063 DINNNRWQEUPFFG-IAGOWNOFSA-N 303.471 5.507 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1ccc(Cl)s1 2295688973 LISSUOIHURRXEK-HZPDHXFCSA-N 317.926 5.293 30 10 DKEE CCCCCCCCCC[C@@H](O)c1sc(Cl)cc1OC 2295715055 SVNXJCKPUZHWPR-CYBMUJFWSA-N 318.910 5.974 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cc(Cl)cc(F)c1Cl 2370539944 JWTNJMJCJJFSMB-OAHLLOKOSA-N 318.263 5.776 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Sc1ccccc1Br 37156628 NOZMOLWZPSXNMX-AAEUAGOBSA-N 310.260 5.014 30 10 DKEE CCCCCCCSc1ccc(Br)cc1N 59199010 DJHFDKYUPIKGGT-UHFFFAOYSA-N 302.281 5.094 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2cc(Cl)ccc2Cl)CC1 87972108 WKRNDLQDKRULNO-UHFFFAOYSA-N 324.295 6.282 30 10 DKEE C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(C#N)c(Cl)c1 110258443 KWLIQJCQDSIHCP-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCCC(=O)c1ccc(Br)s1 114419404 ZZQGFJYURQYUIO-UHFFFAOYSA-N 303.265 5.444 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1cccc(Cl)c1 115862235 CFQXAFDTKSSXQS-LJQANCHMSA-N 310.909 6.164 30 10 DKEE CCCCCCCCCCn1c(S)nc2c(C)ccnc21 129434270 UFAKTYCJZRCREV-UHFFFAOYSA-N 305.491 5.169 30 10 DKEE C=CCSc1ccccc1NCc1cccc(C(F)F)c1 131818922 JUVJDEQINLNXJB-UHFFFAOYSA-N 305.393 5.514 30 10 DKEE CC[C@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(Cl)cc1 134722814 MEXBWIYAFUWPPU-ABAIWWIYSA-N 304.846 5.075 30 10 DKEE C=CCCCCC[C@H](NCC)c1cccc(Br)c1C 233545491 WZAXGYHPPCLEJC-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE Cc1cc(C)c(C=Nc2ccc(Nc3ccccc3)cc2)c(C)c1 252459863 AAOYAXWQKQXTAC-UHFFFAOYSA-N 314.432 6.106 30 10 DKEE Clc1ccccc1N=Cc1ccc(OCc2ccccc2)cc1 254385540 PIAREXMHXMSQMK-UHFFFAOYSA-N 321.807 5.670 30 10 DKEE N#CC[C@H](c1ccc(OCc2ccccc2)c(Cl)c1)C1CC1 260499953 JDDDHUOKRCDMHX-KRWDZBQOSA-N 311.812 5.326 30 10 DKEE C[C@@H](C#N)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 380129847 WMFBESSSHFEOMG-VKHMYHEASA-N 303.403 5.581 30 10 DKEE CCCCCCC[C@H](NC)c1c(C)cccc1Br 386390209 VEEBQHONYSUFHA-HNNXBMFYSA-N 312.295 5.379 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1Nc1nc(Cl)c(Cl)cc1Cl 692234543 JWUXMVZGCBLLBZ-CABZTGNLSA-N 319.663 5.589 30 10 DKEE CCCCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C(C)C 698369273 BDBLUJDZIJBSDV-QGZVFWFLSA-N 324.509 5.665 30 10 DKEE C=CCCCCCCNc1nc2cc(Br)ccc2o1 705908940 MPDZPOXYJYYKJS-UHFFFAOYSA-N 323.234 5.139 30 10 DKEE CC[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712267499 YJUFMLJHQGQAAI-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@@]1(C#N)CCCc2ccccc21 719641414 YUDYOTAJIDTWOX-XMSQKQJNSA-N 319.448 5.027 30 10 DKEE C=C1CCC(CNCc2c(Cl)ccc(Cl)c2Cl)CC1 724447673 YQTZBAVXBJLKKJ-UHFFFAOYSA-N 318.675 5.483 30 10 DKEE CC/C(=N\OCCCc1ccccc1)c1ccc(C(C)(C)C)cc1 821220370 KJGWDGYCUNIWCT-XTQSDGFTSA-N 323.480 5.748 30 10 DKEE Cc1cccc(NN=Cc2ccc(-n3c(C)ccc3C)cc2)c1C 1088739622 FEZFSAMMINJWJG-UHFFFAOYSA-N 317.436 5.157 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(N2CCCCC2)cc1 1866090132 GBMNYPZPJFCLMX-UHFFFAOYSA-N 316.489 5.366 30 10 DKEE C=CCCCC[C@@H](O)c1cscc1OCc1ccccc1 1885322281 FFKMZAXMTFQFNA-QGZVFWFLSA-N 302.439 5.107 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Br)ccc1F 1919910170 MCLSWLSTFYIFQI-HNNXBMFYSA-N 317.242 5.156 30 10 DKEE C=CCC[C@H](C)Nc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1 1925146135 UHWIVUXKMSCKEU-LSDHHAIUSA-N 318.461 5.039 30 10 DKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CC2(CCCCCC2)C1 1978749207 DDDFEMHOTOQKFE-UHFFFAOYSA-N 320.477 5.030 30 10 DKEE C#C[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 1990747539 LZHCVHQSEBUSHD-GHTZIAJQSA-N 305.465 5.298 30 10 DKEE CCCCCCCN1CCCc2c(Br)cccc21 2028394391 LCFCPVGDSAFXPY-UHFFFAOYSA-N 310.279 5.172 30 10 DKEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2048233105 PIRBFOUJPNRAFS-ZJUUUORDSA-N 306.664 5.652 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(Br)co1 2049666612 FRNVWGOZNUFWQH-CQSZACIVSA-N 317.267 5.606 30 10 DKEE CCCCCCC[C@](C)(O)c1cccc(Br)c1C 2083305340 HTTNORDQGGJPPL-INIZCTEOSA-N 313.279 5.326 30 10 DKEE C=C([C@@H](NC)c1cc(-c2cccs2)cs1)[Si](C)(C)C 2107828626 HPMCWUOBYYYMMW-OAHLLOKOSA-N 307.560 5.171 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1cc(Cl)sc1C 2154494779 SWRQBCSFERZSOR-MRXNPFEDSA-N 315.954 6.631 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 2182510075 AFOXVJVGSJMBEI-CYBMUJFWSA-N 309.734 5.273 30 10 DKEE CCCCC#CC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2203785718 ASFJNJFTMHVFTK-INIZCTEOSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCn1c(S)nc2cc(C)c(Cl)cc21 2206595790 KRNNTEQXKLTQHZ-UHFFFAOYSA-N 308.878 5.423 30 10 DKEE C=CC1(CC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1 2236298579 HKJCZNYXZZQNBY-UHFFFAOYSA-N 302.723 5.288 30 10 DKEE C=C(C)CCCC[C@H](O)c1sc(C)c(Br)c1C 2250159870 UOGLYJIQFFLRES-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE CCCCCCCCCC(=O)c1sc(Cl)cc1OC 2278271024 CCIQBXICRHOLOU-UHFFFAOYSA-N 302.867 5.734 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(O)c1ccc(Cl)c(Cl)c1 2284073049 LJEUDEFCTZQLQK-KRWDZBQOSA-N 311.252 5.197 30 10 DKEE CCN[C@@H](CC=CC#CC(C)(C)C)c1ccc(SC)s1 2284111002 HCPYQPVUGNOVAD-AWEZNQCLSA-N 307.528 5.116 30 10 DKEE CN(CC=CC#CC(C)(C)C)Cc1cc2sccc2s1 2284142153 IJZHTUGSDYXNDL-UHFFFAOYSA-N 303.496 5.000 30 10 DKEE CC1(C)CC(CS)(CSCc2ccc(Cl)cc2)C1 2321754914 KPEZGWGLFCWOFY-UHFFFAOYSA-N 300.920 5.309 30 10 DKEE C#CCCCCCCN[C@H](C)c1cc(F)c(Cl)cc1Cl 2364161740 XWSQJSSTGDLAGP-GFCCVEGCSA-N 316.247 5.367 30 10 DKEE CCCCCCCC[C@](C)(N)c1csc(C(C)(C)F)n1 2367912648 TVARNPQYXTXNSS-INIZCTEOSA-N 300.487 5.272 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Nc2cccc(Br)c2)CC1 86914177 GRNNNKSAMQTVAH-XJKSGUPXSA-N 321.262 5.114 30 10 DKEE CCCN[C@@H](C)c1ccc(SCCCC(C)(C)C#N)cc1 87607221 QTNGLEURRNMJRY-HNNXBMFYSA-N 304.503 5.169 30 10 DKEE N#CC1(c2ccccc2)CC(Nc2c(Cl)cccc2Cl)C1 88167855 CRQWLCNGRABTOB-UHFFFAOYSA-N 317.219 5.029 30 10 DKEE CCCCCCCCCCCCCC(=O)O[C@@H](C)COC 103000931 QAGSONVQDYKDDS-KRWDZBQOSA-N 300.483 5.266 30 10 DKEE CCCCCCCCCCNC(=O)Cc1ccc(Cl)cc1 108722703 ZXQAOCGBYLRJQB-UHFFFAOYSA-N 309.881 5.139 30 10 DKEE CCCCCCCCCCC[C@H](Cc1nc(C)cs1)NC 228874826 MSFWZQFXTVLSHV-QGZVFWFLSA-N 310.551 5.503 30 10 DKEE CCCCCCCNc1cc(Cl)cc(Br)c1 308319412 OHQXXSYUVPFURQ-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE CSc1cc2c(CC#N)csc2cc1SC(F)(F)F 725318401 HOTPHACSHDFGRX-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1874623862 ZBVQQCUSJOQSJF-NTCAYCPXSA-N 302.373 5.135 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1cc(Cl)c(Cl)s1)C1CC1 1887463056 DHSICFGGJAPPMK-AAEUAGOBSA-N 316.297 5.145 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1(CC)CCCC1 1922070645 BAPARMCUUYTCHB-HXUWFJFHSA-N 315.501 5.098 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1ccc(C#N)cc1F)C(C)(C)C 1946839153 KKZCLKYYGUEQHM-INIZCTEOSA-N 324.443 5.134 30 10 DKEE CCCCCCC[C@H](N)c1cccc(Cl)c1Br 1948983903 NFJTWSDIHPUVLS-ZDUSSCGKSA-N 318.686 5.463 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)C1(C)CCCCC1 1975571454 RTJGSGVDXRGPMR-DNVCBOLYSA-N 322.493 5.275 30 10 DKEE C=CCCN(Cc1ccccc1)[C@H](c1ccccc1)C(F)(F)F 1990809964 OHSCMZMCWHVRER-GOSISDBHSA-N 319.370 5.368 30 10 DKEE CCC(=CC(=O)c1cccc(Br)c1Cl)CC 1993433140 ASAICVANZCEXOP-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1ccc(Br)s1 2026015753 WIKJIBWPAXNCRU-CQSZACIVSA-N 317.292 5.245 30 10 DKEE C#CC[C@@H](CNc1cc(Cl)c(Cl)c(Cl)c1)C1CC1 2076108713 YNJZSINYAHQMHM-JTQLQIEISA-N 302.632 5.108 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc(Cl)sc1Cl 2091046533 FTAXMXDFTPJOHT-CYBMUJFWSA-N 323.285 5.408 30 10 DKEE Fc1cc(Cl)c(NCC#CC2CCCCC2)c(Cl)c1 2093442705 CFKSFUPIPHPTKF-UHFFFAOYSA-N 300.204 5.128 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cccc(C)c1Br 2102111406 MJZQUYUYGPDMNN-RHSMWYFYSA-N 324.306 5.401 30 10 DKEE C#C[C@H](N[C@@H](C)c1cc(Cl)sc1Cl)C1CCCCC1 2138969248 CSZHHYMFKZHZFP-GWCFXTLKSA-N 316.297 5.288 30 10 DKEE CCCC(CS)(CCC)CSc1ncc2sccn12 2139851335 MAUDZXQKOPWTKP-UHFFFAOYSA-N 314.545 5.004 30 10 DKEE CCCCCCC[C@H](NCCC)c1nccc(Cl)c1F 2154329633 KJGYIUXSFGLCQW-AWEZNQCLSA-N 300.849 5.275 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1ccccc1SC1CC1 2158415284 UOXDRBHYMUUUNX-UHFFFAOYSA-N 300.814 5.210 30 10 DKEE C#CCCC[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164161141 IQHYOFDHYGORTR-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H](C)C[C@@H](C)C(F)F 2177893374 NXOFGEJBPHKYTR-ZIAGYGMSSA-N 309.510 5.114 30 10 DKEE CC(C)(C)c1ccc(C#N)c(Sc2ccccc2Cl)n1 2192040063 JBWONFIODRSNGI-UHFFFAOYSA-N 302.830 5.055 30 10 DKEE CCCCCCCCn1c(S)nc2cc(C)c(Cl)cc21 2206595224 HPVZKWFRRJHJPZ-UHFFFAOYSA-N 310.894 5.647 30 10 DKEE CC1(C)CC(=O)C=C(c2cc(Cl)cc(Cl)c2Cl)C1 2220134980 DMQRZMDRSBUZFU-UHFFFAOYSA-N 303.616 5.419 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2229477892 KVAFMTGDVNDYED-MRXNPFEDSA-N 301.257 5.728 30 10 DKEE CCCCCCCC[C@@](C)(O)C(=O)c1cscc1Cl 2231930680 RYVRFGWQFSDJSL-OAHLLOKOSA-N 302.867 5.086 30 10 DKEE Cc1cc(Cl)c(Cl)cc1NC[C@H](C#N)C1CCCCC1 2281508816 QIZLENXJIQTINX-ZDUSSCGKSA-N 311.256 5.434 30 10 DKEE CCCN[C@H](C#Cc1ccccc1Cl)c1sccc1Cl 2295224767 RGGNWBUBXWUTSZ-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE C=CCCCCCCCCC[S@@](=N)(=O)CCCCCC 2295794712 KXSLBBCKHCLFSP-FQEVSTJZSA-N 301.540 5.920 30 10 DKEE O=C(C=COc1ccc(Cl)cc1)c1cccc2ccccc12 2297535697 PTGZWWFDIOIXPH-UHFFFAOYSA-N 308.764 5.269 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(Cl)c1Br 2304026077 YDASINWRZACIOV-ZIAGYGMSSA-N 316.670 5.095 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(OCc2ccccc2)c1 2304041777 QGPCLQGYENINPJ-FCHUYYIVSA-N 323.480 5.519 30 10 DKEE C=CCC(CC=C)Sc1c([C@H](C)O)ccc(Cl)c1F 2335206100 INOPARQBSBUVMX-JTQLQIEISA-N 300.826 5.145 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cccc(Br)c1C 2344347036 YIAWJHZYLQNOEU-IAGOWNOFSA-N 324.306 5.401 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2344378870 MWWYQDSRMFIVLB-AWEZNQCLSA-N 304.236 5.385 30 10 DKEE C=CC[C@@H](C)Sc1c([N+](=O)[O-])ccc(NCCC)c1Cl 2360198107 CFZZLFRJGXOZGS-SNVBAGLBSA-N 314.838 5.127 30 10 DKEE COc1ccc2ccccc2c1/C=N/c1ccc2ccccc2c1 1229121 CJAOOSMXGKIKDP-HZHRSRAPSA-N 311.384 5.752 30 10 DKEE Cc1ccc([C@@H]2CC(=O)C=C(Nc3cc(C)cc(C)c3)C2)cc1 17031224 UFSQFHSVIWROJW-SFHVURJKSA-N 305.421 5.054 30 10 DKEE C=CCC[C@H](NCCC)c1cc2cccc(Br)c2o1 97221111 OBKPCDAVGSAXIU-AWEZNQCLSA-N 322.246 5.202 30 10 DKEE O=C(/C=C\Sc1nc(-c2ccccc2)cs1)c1ccccc1 97399207 CNAXULBUFBIAFJ-QXMHVHEDSA-N 323.442 5.299 30 10 DKEE CCc1ccc(/C=C2/CC/C(=C/c3ccc(CC)cc3)C2=O)cc1 104375660 JVJMHUCDTNTGGY-BMJUYKDLSA-N 316.444 5.641 30 10 DKEE CCCCCCCCCCCC[C@@H](Cc1cccs1)NC 109740487 QRTAWZARLGNQEX-SFHVURJKSA-N 309.563 6.190 30 10 DKEE CCCCCCCCC[C@H](Cc1ccc(Cl)cc1)NCC 112891186 AZIJUOLLPWBNIY-LJQANCHMSA-N 309.925 6.001 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Br)c(F)c1 115071825 BJKVHSNTWHAXTK-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE CCCCCCCCc1noc(N)c1-c1ccc(Cl)cc1 115858521 OANHZRJCCFKBSI-UHFFFAOYSA-N 306.837 5.480 30 10 DKEE CCCCCCCCC[C@H](NN)c1ccc(Cl)c(Cl)c1 130217877 OFKGFTFKAXICDY-INIZCTEOSA-N 317.304 5.639 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(Cl)cc1OC 158112473 ONNAJZBHPKKMLS-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE CCCCCCCC[C@@H](O)c1c(F)cccc1Br 169165401 SWZWQMZAAFDPFB-CQSZACIVSA-N 317.242 5.372 30 10 DKEE CCCC(CCC)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 211919692 BPPWMUSMEVTVEQ-AWEZNQCLSA-N 312.240 5.386 30 10 DKEE CCCCCCCCN[C@@H]1CCc2c(Br)cccc21 232936557 XEEDJEKKWMCIQQ-QGZVFWFLSA-N 324.306 5.387 30 10 DKEE CCCCCCCCN[C@@H]1CCCCCCCCCCC1=NO 254758196 GNHSYOMPXQABJU-LJQANCHMSA-N 324.553 6.050 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC12CCCCC2 694434400 NRGCRFHYCNUTGG-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CC(C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698915498 MECQOXGRXMIEGQ-QGZVFWFLSA-N 322.836 5.020 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(Br)cc1 703956122 XZAMLHUCMFLHJR-ZDUSSCGKSA-N 310.279 5.092 30 10 DKEE CCCCCCCCOC[C@H](N)c1ccc(Cl)cc1Cl 709555466 MAQLZOIUBWTBFY-INIZCTEOSA-N 318.288 5.370 30 10 DKEE Cc1ccc(C)c(N=Cc2cccn2-c2ccc(Cl)cc2)c1 1084601271 JGRMAYVFGQKBAT-UHFFFAOYSA-N 308.812 5.498 30 10 DKEE Clc1cccc(/C=N/CCc2c[nH]c3ccccc23)c1Cl 1088742577 YSRAHMJYRZJJAK-KEBDBYFISA-N 317.219 5.136 30 10 DKEE CCCCC[C@@H](CC)Nc1nccc(-c2ccccc2)c1C#N 1859795901 BUXWFRHTLNCUHI-QGZVFWFLSA-N 307.441 5.391 30 10 DKEE CCCCC[C@@H](CC)N(C)c1cc(Br)cc(C#N)c1 1879294063 CYFBBZJYJCSRRV-OAHLLOKOSA-N 323.278 5.116 30 10 DKEE CC(C)[C@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1901677493 OIWOPEIMRTYHIB-HNAYVOBHSA-N 316.445 5.002 30 10 DKEE CCCCCCCCC[C@](C)(N)c1cc(Cl)ccc1Cl 1920483466 DOTQVCAMQVHDMS-KRWDZBQOSA-N 316.316 6.308 30 10 DKEE C=CCCC(C)(C)CN[C@@H]1CCCC[C@@H]1OCc1ccccc1 1977459296 CQMYRFUWLGSLPA-UXHICEINSA-N 315.501 5.096 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)C[C@@]1(C=O)CCCC(C)(C)C1 1980273072 AGPLCJHJZGYPKZ-WIYYLYMNSA-N 315.501 5.073 30 10 DKEE CCCCCC#CCNc1cccc(OCc2ccccc2)c1 1994158027 UQFMCBDKBJXYFN-UHFFFAOYSA-N 307.437 5.261 30 10 DKEE CCCCCCCC[C@@H](CN)N(Cc1ccccc1)CC(C)C 1995334955 RMRKFHCCRDLWTI-NRFANRHFSA-N 318.549 5.223 30 10 DKEE CCCCCCCCCC(=O)c1sc(Cl)nc1Cl 2037663026 UYWWMUMQCHSLPZ-UHFFFAOYSA-N 308.274 5.773 30 10 DKEE CCCC[C@](C=O)(CC)Cc1ccc(C)c(Br)c1 2045964124 CQWSIBJWHSCZDA-MRXNPFEDSA-N 311.263 5.086 30 10 DKEE CCc1ccc(NCCCCC(C)(C)C#N)c(Br)c1 2095384125 SPPPOXGEOVLIGE-UHFFFAOYSA-N 323.278 5.143 30 10 DKEE C=C([C@H](NCCC)c1cc(Br)ccc1C)C(C)(C)C 2096622481 VYQJBPBFRWSBGY-INIZCTEOSA-N 324.306 5.401 30 10 DKEE C=C1CCC(N[C@@H](C)c2cc(Cl)cc(Cl)c2F)CC1 2101210282 UONYUXCBSOTUCE-JTQLQIEISA-N 302.220 5.282 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Br)c1)C1(C)CCCCC1 2101389198 JPQANJPFOCTUAT-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107948586 JJLHFXBRWWIRDU-ZUZCIYMTSA-N 320.691 5.900 30 10 DKEE C=CC1(C[C@@H](NCC)c2cccc(Br)c2C)CCC1 2111711607 PGUASTHZCVYRCR-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE C#C[C@@H](N[C@@H](C)c1cc(Cl)sc1Cl)C1CCCCC1 2138969249 CSZHHYMFKZHZFP-GXFFZTMASA-N 316.297 5.288 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(C(F)(F)F)cs1 2161225898 PJGUWWAMHDPWNC-ZDUSSCGKSA-N 307.425 5.907 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1ccc(Cl)c(Cl)c1 2173629901 RCGXFACYUSCHQB-GOEBONIOSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCNCc1cnc(C(F)(F)F)s1 2196686310 BMXPJJPTTQWLBC-UHFFFAOYSA-N 308.413 5.002 30 10 DKEE C=CCCC(C)(C)Cn1c(S)nc2cc(C)c(Cl)cc21 2206588675 DEGBSPSUGOMMLO-UHFFFAOYSA-N 308.878 5.279 30 10 DKEE C=CCCCCCCCC[C@H](NCC)[C@@H]1CSCCS1 2207437687 QSNBTUPEMMFYOA-IRXDYDNUSA-N 315.592 5.120 30 10 DKEE C=CCCCCCCCCOCCCB1OC(C)(C)C(C)(C)O1 2213511501 NEWQUUCAZQWUCY-UHFFFAOYSA-N 324.314 5.402 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2220121605 PDILNZNERNGUQH-TVQRCGJNSA-N 306.664 5.510 30 10 DKEE C=C(C)CCCCC(=O)c1sc(C)c(Br)c1C 2250138086 BPQXDDMAFVDZMF-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc(Cl)sc1Cl 2276757674 CFUPLKQPDFGYJG-LBPRGKRZSA-N 324.317 5.432 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281542126 ZRLPVTZDKLAJPX-HNNXBMFYSA-N 316.272 5.399 30 10 DKEE CCCCc1ccc(NC=CC(=O)c2ccc(OCC)cc2)cc1 2296875795 GNGKAUNHDODKCC-UHFFFAOYSA-N 323.436 5.236 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(C)c(Br)cc1C 2321178857 CLQQEMDMCRGNCX-INIZCTEOSA-N 309.247 5.241 30 10 DKEE C=CC[C@H](C)SCc1nc(Cl)c2c(C)c(C)sc2n1 2335212936 VJOQHSNFXATFEB-QMMMGPOBSA-N 312.891 5.159 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(OC)c(Cl)s1 2340283816 ANCBTHZJMHQKGO-LBPRGKRZSA-N 302.867 5.360 30 10 DKEE C=CCCCCC[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2340804336 DRGMJLUKMPHFPC-CQSZACIVSA-N 304.236 5.530 30 10 DKEE C=CCC(CC=C)Sc1ccc(CNCCC)cc1Cl 2360368034 KIWINKOUJMPMIS-UHFFFAOYSA-N 309.906 5.453 30 10 DKEE N#Cc1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1 11892488 ZZKHTFOUGCIVSX-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Nc1cc(Cl)ccc1F 35284687 PYSRSJJCOPJYKD-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCC(C#N)(CCC)C(=O)Nc1cccc(Cl)c1Cl 44813493 NHSYTDHETVSUEB-UHFFFAOYSA-N 313.228 5.042 30 10 DKEE CC(C)(C#N)CCCNc1ccc(Cl)cc1C(F)(F)F 87597035 UXNXRGOZJQIMLF-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1 90765889 OLRCJCNSYVAKAU-OEAKJJBVSA-N 316.448 6.232 30 10 DKEE CCCC(CS)(CCC)COc1cc(Cl)cc(Cl)c1 94584805 BBVTVQYCBLYHKZ-UHFFFAOYSA-N 321.313 5.889 30 10 DKEE Cc1cc(C)c(N/C=C\C(=O)c2ccc(C(C)C)cc2)c(C)c1 103029810 SLHQJIOKUOZDTF-KHPPLWFESA-N 307.437 5.544 30 10 DKEE C=C/C=C\C/C=C\C[C@@H]1O[C@H]1CCCCCCCCCCC 104899496 MNOQVNSRLYAHLG-HUHKYRGVSA-N 304.518 6.753 30 10 DKEE biogenic Cc1cccc(CS[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1 110355010 MXJYCLZMENEKCI-KZNAEPCWSA-N 301.499 5.583 30 10 DKEE N#C[C@@H](C(=O)c1cc2sccc2s1)c1ccccc1Cl 123596628 ZLLCOYIDXMGHLR-SNVBAGLBSA-N 317.822 5.106 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(C)cc1Br 125676059 PIYRKWLMUMGBPO-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE Cc1cc(Oc2cc(Br)ccc2Cl)ccc1C#N 132592504 LNZJNFWULSDSAJ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Br)ccc1Cl 203379220 KQMCVSUZNYXMTG-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cccc(F)c1Cl 229275742 XRYBHFOMYYFRDU-MRXNPFEDSA-N 300.845 6.043 30 10 DKEE CCCCCCCCNc1ncc(Br)cc1Cl 232948632 OXKFCMCJWZXOHC-UHFFFAOYSA-N 319.674 5.270 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1ccc(Br)o1 233164256 RLMOWHDRQXYEQC-CYBMUJFWSA-N 314.267 5.219 30 10 DKEE N#Cc1ccc([C@H]2CCc3ccccc3N2Cc2ccccc2)cc1 616667358 IYTCWSRWCKTOKE-HSZRJFAPSA-N 324.427 5.252 30 10 DKEE CCCCCCCCCNc1cccc(Br)c1F 689238358 BPUUNWOOWODVBF-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(Br)ccc3F)C[C@@H](C1)C2 697305440 XAIKXJULKLOZNJ-ONXXMXGDSA-N 324.237 5.135 30 10 DKEE CCCCCCC[C@@H](C)NC1CC(OCc2ccccc2)C1 716251697 CWIBGVYREMDNKP-QHGAOEGBSA-N 303.490 5.073 30 10 DKEE CSc1c(SC(F)(F)F)c(C#N)cc2ccsc12 725292255 PVEQNVUVTJRBSO-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(C)c(Cl)c1 821916639 WOOGUPMCLPKYGX-UHFFFAOYSA-N 302.289 6.464 30 10 DKEE C/C(=C/C(=O)c1cc2ccccc2o1)c1cc2ccccc2o1 1088718328 GHKAVZBXUQWZOZ-RAXLEYEMSA-N 302.329 5.465 30 10 DKEE CCCCCCC[C@@](C)(N)c1scc(Br)c1C 1922935403 PIMXRYSRETYHRS-CQSZACIVSA-N 318.324 5.353 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)CC1(CS)CCCCC1 1931997879 FAPAQRGSIAUCST-SFHVURJKSA-N 319.558 5.413 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cccc(Cl)c1Br 2000383047 UQEHDVBHZXKXDR-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cccc(C)c1Br 2040531950 BENLAOBOAQVJCY-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2096546578 RKSUZAIRRXOZTB-MNOVXSKESA-N 320.691 6.042 30 10 DKEE CCCCCCCCC[C@H](NC)c1snc(Cl)c1Cl 2110899600 GAQNOUFVBCIIKE-NSHDSACASA-N 323.333 5.851 30 10 DKEE C#CCCCCCC[C@H](NCC)c1ccc(Br)cc1 2113422366 PAQJPYDAXZCKSK-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE N#Cc1cc(F)c(Nc2ccc(Cl)c(Cl)c2)cc1Cl 2120882731 ATLKHJHOUAKBOD-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](c1ccco1)c1ccc(Cl)s1 2152865727 QEHACLNVMVQHBK-WBMJQRKESA-N 309.862 5.418 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1c(Cl)cccc1Cl 2173629855 QRZHPZLMLCVGSW-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE C#Cc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)cc1 2177232763 WKLOQDBDIHCSSG-JTQLQIEISA-N 324.638 5.801 30 10 DKEE C=CCCCCCCCCCC(=O)c1ncc(SC)s1 2207382554 SXHMRTJKDHZNHZ-UHFFFAOYSA-N 311.516 5.745 30 10 DKEE C=C(CO[C@](C)(CC)CCCC(C)C)B1OC(C)(C)C(C)(C)O1 2213734570 OUWZSINDJDCAMC-LJQANCHMSA-N 324.314 5.186 30 10 DKEE C=C(F)C[C@@H](NCCC)c1sc(C)c(Br)c1C 2213746246 HPWHIPINLAYOLX-LLVKDONJSA-N 320.271 5.041 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ncc(Cl)cc1Cl 2227289394 UBXXNIHOWYSUBY-CQSZACIVSA-N 301.261 5.305 30 10 DKEE CCCCCCCCCCOc1cc(Cl)nnc1Cl 2231019591 NNJNMMOWPIATNB-UHFFFAOYSA-N 305.249 5.303 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](N)c1cc(Cl)c(Cl)s1 2256694584 QSBBZFMQSVZJMZ-LLVKDONJSA-N 302.270 5.051 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(C#N)cc1F 2287088190 APMJRKXFYNAZPR-UHFFFAOYSA-N 311.853 5.969 30 10 DKEE C=CCCCCCCCSC[C@H](NCC)c1ccns1 2287193286 PEQSHXGBSBPHKO-HNNXBMFYSA-N 312.548 5.054 30 10 DKEE CCCCCCCC[C@H](N)c1sc(C(F)(F)F)cc1C 2295010450 DGSGIBJMYCCZMU-LBPRGKRZSA-N 307.425 5.826 30 10 DKEE C=C1CCC(C[C@@H](O)c2sc(C(F)(F)F)cc2C)CC1 2295253954 IXYVVLDQYCAGRT-GFCCVEGCSA-N 304.377 5.245 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1nccc(Cl)c1F 2295581296 OYWYIPWAGXZQMF-MRXNPFEDSA-N 301.833 5.222 30 10 DKEE CCCCCCCCC[C@](C)(O)c1sc(Cl)cc1OC 2295738189 BJYRHOMSKYTLIB-INIZCTEOSA-N 318.910 5.758 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2344338574 ANXQDPUDVJJNNZ-BMIGLBTASA-N 320.691 5.900 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)cc(Cl)c1Cl 2344374427 IBOWKMNVDXCMTP-GJZGRUSLSA-N 320.691 5.900 30 10 DKEE Cc1c([C@@H](N)C#Cc2cccc(Cl)c2)ccc(Cl)c1Cl 2364408588 SBKWJJIRBSFJBK-HNNXBMFYSA-N 324.638 5.007 30 10 DKEE C[C@@H](Nc1cccc(F)c1C#N)c1ccc(Cl)cc1Cl 35134957 BFMYEBQOXSNQLS-SECBINFHSA-N 309.171 5.177 30 10 DKEE Cc1ccc(C)c(C[C@H](C#N)c2c(Cl)cccc2Cl)c1 57759865 ZPSBZTNTXDURKL-CQSZACIVSA-N 304.220 5.460 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426679 RZLXAHMCSQLYSE-UMVBOHGHSA-N 322.905 5.572 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(F)cc2Br)C1 87972677 RTDZYKKOTASVNC-LRDDRELGSA-N 324.237 5.241 30 10 DKEE N#CC[C@@H](Sc1ccc(Cl)c(Cl)c1)c1ccccc1 88304101 QWXWTRHUMVIZFM-OAHLLOKOSA-N 308.233 5.740 30 10 DKEE N#CC1(Sc2ccccc2Cl)CC2(CCCCCC2)C1 90234090 XHBVADNUZRAJDM-UHFFFAOYSA-N 305.874 5.829 30 10 DKEE SCCCCCCCCCN1CCCc2ccccc2C1 97799263 LOFZWKBRCJNLKL-UHFFFAOYSA-N 305.531 5.095 30 10 DKEE CCCCCCCn1c([C@@H](C)N2CCCC2)nc2ccccc21 101301748 FRAXXAHFJHHIDY-QGZVFWFLSA-N 313.489 5.164 30 10 DKEE CCCCCCCCCNC(=O)c1ccc(Cl)c(Cl)c1 110387549 DATVGLGFIWOAAV-UHFFFAOYSA-N 316.272 5.474 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(Cl)cc1Cl 158895019 BROYRIDUMJOVHI-MRXNPFEDSA-N 300.273 5.116 30 10 DKEE CCCCOc1ccc(/N=C/c2ccc3ccccc3n2)cc1 196300881 HFMCALFJYNEWGT-RCCKNPSSSA-N 304.393 5.164 30 10 DKEE CCCCCCCCOc1nc(Cl)nc2sc(C)cc12 232940832 SQWQVJYKXXZWOS-UHFFFAOYSA-N 312.866 5.392 30 10 DKEE CCCCCCCC[C@H](NC)c1cnc(C(F)(F)F)s1 232957742 OUBALKMDAQGTPK-NSHDSACASA-N 308.413 5.173 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1cccc(OCc2ccccc2)c1 310132102 YHCMLZVGDLNIAW-WIYYLYMNSA-N 320.436 5.150 30 10 DKEE CCCC(CS)(CCC)COc1cccc(Cl)c1C#N 380129872 MVTZNSTXVHEXTG-UHFFFAOYSA-N 311.878 5.107 30 10 DKEE CCCCCCCCCC[C@H](O)[C@H](C)OCc1ccccc1 404145954 PUKZWEIUAFVPHL-ICSRJNTNSA-N 306.490 5.483 30 10 DKEE CCCCCCCOc1ccc2nc(-c3ccccc3)oc2c1 586477217 UZPVMHAKSDKIDJ-UHFFFAOYSA-N 309.409 5.844 30 10 DKEE C=C1CCC(CNc2ccc(Cl)cc2Br)CC1 724552906 FDRGCLXATAUICE-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE C=C1CCC(CNc2ccc(Br)c(Cl)c2)CC1 724553784 NXJFJBQXWKUUKT-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE N#C[C@H](CN(Cc1ccccc1)CC1CCCCC1)C1CCCC1 1946757148 RJQLXNIHFJFNDB-JOCHJYFZSA-N 324.512 5.399 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CC1(C)CCCC1)NCCC 1980382735 LXSXCRZJMQQEFK-HXUWFJFHSA-N 315.501 5.098 30 10 DKEE C=CCCCCNc1cc(Cl)c(Br)cc1C 1984505410 AHHCBPZXNHPPKZ-UHFFFAOYSA-N 302.643 5.179 30 10 DKEE C=C(C)C[C@@H](NCCC)c1c(Cl)cccc1Br 2000360294 JRQZNYRKAQJVHD-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=CCCN(CCCOc1ccc(C)c(C)c1)Cc1ccccc1 2019347156 ZQJZTTIPWHNSQI-UHFFFAOYSA-N 323.480 5.151 30 10 DKEE CCc1c(C(F)(F)F)ccc(C(F)F)c1OC(F)(F)F 2060359234 CTJOIQARELFVGI-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE Cc1cc(C#N)c(Sc2ccc(Cl)cc2Cl)nc1C 2099252238 DPIICRUPVKFYRZ-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE N#CC1(Nc2ccccc2Br)CCCCCCCC1 2112437469 QTAUNUHMYKNFEW-UHFFFAOYSA-N 321.262 5.258 30 10 DKEE N#Cc1c(Cl)cccc1NCc1cc2sccc2s1 2140589203 VKANDQLPHRAVLT-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE C=C1CCC(C[C@@H](O)c2cc(-c3cccs3)cs2)CC1 2196504106 OEUIZCPXUNSWGO-OAHLLOKOSA-N 304.480 5.647 30 10 DKEE C#CCCCCCC(=O)c1cc(Cl)cc(C(F)(F)F)c1 2200838316 OBZHEMZNFPDYEC-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1OC 2203438027 ROXKPQAVBXNRIN-AWEZNQCLSA-N 318.288 5.752 30 10 DKEE CCCC#CC[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2203779022 PWEIJMHGNVOOJO-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE C[C@](O)(c1cc(Cl)cc(Cl)c1)C1(C#N)CCCCCC1 2237913649 OOAMNUHDLBMLKN-HNNXBMFYSA-N 312.240 5.065 30 10 DKEE C=CCCCCCCCSc1ncccc1Br 2250028444 KQKMJWHFPWTNKU-UHFFFAOYSA-N 314.292 5.463 30 10 DKEE CCCCCCCC[C@H](OCCN)c1csc(Cl)c1 2276530462 UCPKMUSDQPZZMO-AWEZNQCLSA-N 303.899 5.169 30 10 DKEE CCCCCCCCC(=O)c1sc(C(F)(F)F)cc1C 2294989704 STOKHWIPHDFCMJ-UHFFFAOYSA-N 306.393 6.009 30 10 DKEE C=CCCC(C)(C)CNCc1ccc(Cl)c(Cl)c1C 2338677296 MIPDFODCRCCMHF-UHFFFAOYSA-N 300.273 5.384 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)c(F)cc1CNCC(C)C 2362428839 AEUVBZKTPCEXBQ-GFCCVEGCSA-N 315.885 5.281 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1cc(F)c(Cl)cc1Cl 2377430110 UBPLDPKROQFDRN-GJZGRUSLSA-N 318.219 5.276 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 14551517 HHJMNLKEPZHJIP-SQGPQFPESA-N 303.405 5.078 30 10 DKEE CC[C@H](Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 37203151 NIJDDLLUSKJSNL-INIZCTEOSA-N 305.208 5.428 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1Cl 37277906 VYNKHTOBAKGAAP-SECBINFHSA-N 309.171 5.177 30 10 DKEE Cc1ccccc1[C@H](C#N)CCOc1ccc2ccccc2c1 57687065 GFXSUUPLOBCKLX-IBGZPJMESA-N 301.389 5.225 30 10 DKEE CC(C)(C)c1ccc(Sc2cccc(Cl)c2C#N)cc1 70138450 VOLDKHRWZVQBPB-UHFFFAOYSA-N 301.842 5.660 30 10 DKEE CCCCCCCCOCc1c(CN)sc2ccccc12 110171265 BEKZARNSMDURSM-UHFFFAOYSA-N 305.487 5.237 30 10 DKEE CCCCCCC[C@@H](CNC1CC1)Cc1ccc(Cl)cc1 110187886 WHDATTBRZXCVHS-QGZVFWFLSA-N 307.909 5.611 30 10 DKEE CCCCCCCCCCCCSc1cc(N)cc(F)c1 112712646 TUCMZJYSYSPPEA-UHFFFAOYSA-N 311.510 6.421 30 10 DKEE CCCCCCCCCCC(=O)Cc1c(F)cccc1Cl 112884411 BVWWCUZXASTKDD-UHFFFAOYSA-N 312.856 6.122 30 10 DKEE CCCCCCCCCCN[C@H]1CCc2sc(Cl)cc21 123425099 RKEAVHYXMRIGSQ-HNNXBMFYSA-N 313.938 6.119 30 10 DKEE CCCCCCCCCCCC[C@@H]1CSC[C@H]1NCCC 134625678 NTSZDGAIYGKISE-RTBURBONSA-N 313.595 6.029 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1c(F)cccc1Cl 159128646 GLDOCYHGKFFSGM-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE CCCCCCCCN[C@H](Cc1cccs1)c1cccs1 159142025 VJNSHVHFQULQQR-QGZVFWFLSA-N 321.555 6.044 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc2c(s1)CCCCC2 168190218 YLVSKUCJYQAKDE-QGZVFWFLSA-N 308.531 6.191 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)cc(C(F)(F)F)c1 169103854 SNJYBEPLAAJALG-HZMBPMFUSA-N 316.754 5.243 30 10 DKEE C[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(Cl)c(F)c1 214990144 PTZSHDCMUVUEIA-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC(C)c1ccc(Nc2cc(Br)cc(C#N)c2)cc1 227604932 SVVGKGMHOPBMNG-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(OCc2ccccc2)cc1 310017527 OYAYGEHCXBLSRF-UHFFFAOYSA-N 306.405 5.339 30 10 DKEE CCC[C@@H](Nc1cc(Br)ccc1C#N)C1CCCC1 313386290 AQMTZMPFTSVYKK-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)C1(C#N)CCCCC1 698864461 CCGRSRMBOJYICS-UHFFFAOYSA-N 320.477 5.173 30 10 DKEE C[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698865145 FASDZFXKJGOIIX-KXBFYZLASA-N 320.477 5.029 30 10 DKEE N#CCc1cc2cc(SC(F)(F)F)c(Cl)cc2s1 725286328 PRORRCVIBZTART-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE O=[N+]([O-])c1ccccc1N=Cc1cccc(-c2ccccc2)c1 1772722095 NZSPTSHPFQAOTI-UHFFFAOYSA-N 302.333 5.012 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1F)c1ccc(C(C)C)cc1 1857936447 MQACQSDUOSMBHC-FYJGNVAPSA-N 319.807 5.543 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CCCCC2)C1 1915885955 PBTCRHBZULVFAH-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=C(COCc1ccccc1)[C@@]1(O)CCC[C@H](C(C)(C)C)CC1 1922116125 NNTAPBMWEHSHOB-PZJWPPBQSA-N 316.485 5.117 30 10 DKEE CCCCCCCC[C@H](O)c1sc(Br)cc1C 1950202677 KEUATVAYZOMITP-LBPRGKRZSA-N 319.308 5.603 30 10 DKEE CCCCC#CCNc1ccc(OCc2ccccc2)cc1C 1994162502 PLWZJXBSAGUBRM-UHFFFAOYSA-N 307.437 5.180 30 10 DKEE C=CCCCCCC[C@]1(O)CCCC[C@H]1OCc1ccccc1 1995168623 GMYOKZHKALAKFM-RTWAWAEBSA-N 316.485 5.404 30 10 DKEE C=C1CC(CC[C@@H](NCCC)c2ccc(Br)cc2)C1 2125743952 ZWWRVFGYNYNMQK-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE C=CCCCCCCCCNc1c(C)cccc1Br 2142445357 DWPISPXBEFXVQN-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE C[C@@H]1C[C@](C#N)(Nc2ccccc2Cl)c2ccsc2S1 2152750594 SSLGNJDEAKJYSO-MEBBXXQBSA-N 320.870 5.117 30 10 DKEE C#CCCCC[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2173455599 NRDZVUFZNYOFTD-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1cccc2sccc12 2184417307 UBMPEAPWHFKTKX-UHFFFAOYSA-N 303.745 5.358 30 10 DKEE C=C[C@@H](N[C@H](Cc1cccs1)c1cccs1)C1CCC1 2197829244 IKCPUMOFBNJMCV-HZPDHXFCSA-N 303.496 5.038 30 10 DKEE CCCC1CCC(C=O)(Cc2cc(Cl)cc(Cl)c2)CC1 2197967848 RWQHTJBAUGZTBK-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE CC#CCC[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205866470 PVJZOXIDPQXMIR-CQSZACIVSA-N 303.496 5.321 30 10 DKEE CCCCCCCNc1c(C)cc(F)cc1Br 2217147143 GXRXJPZIVIROPG-UHFFFAOYSA-N 302.231 5.279 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1ccccc1Br 2227277000 VXOJRYHQMNCITG-KRWDZBQOSA-N 324.306 5.540 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)CCC1CC1 2235457528 JYGWCUOWDZWEQC-HXUWFJFHSA-N 301.540 5.754 30 10 DKEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(Cl)cc2C#N)c1 2238010166 RFDOPDNSBHUWGE-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=C[C@@H](C)CCN[C@H](C)c1ccc(OCc2ccccc2)cc1 2245053938 PCWNDYPMCRJKHO-QZTJIDSGSA-N 309.453 5.128 30 10 DKEE O=C(C#CC1CCCCC1)c1cscc1OCc1ccccc1 2245339287 SERLTMLGAGJIPN-UHFFFAOYSA-N 324.445 5.094 30 10 DKEE C[C@@H](c1cccs1)N(CC#CC1CCCC1)Cc1ccccc1 2245356105 XBTBBNBVGAQRKD-SFHVURJKSA-N 323.505 5.505 30 10 DKEE CC(C)(C)C(Nc1ccc(Br)cc1C#N)C(C)(C)C 2266821352 DQIMYDDVDRETMU-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE CCCCCCC[C@H](OCCN)c1ccc(Cl)cc1Cl 2292610926 ILQDDYMVJQIZLM-INIZCTEOSA-N 318.288 5.370 30 10 DKEE O=C1C(=Cc2ccc(Cl)c(Cl)c2)Sc2ccccc21 2296738467 YGKYYEMKVOMDJF-UHFFFAOYSA-N 307.201 5.323 30 10 DKEE CC1=CSC=C(C=NCc2ccccc2)N1c1ccccc1 2297504600 ITKGVSPKZHKALY-UHFFFAOYSA-N 306.434 5.214 30 10 DKEE CCc1ccc(C(=O)C=CNc2ccc(Cl)cc2Cl)cc1 2297532339 BEIGEJAIBJTLFJ-UHFFFAOYSA-N 320.219 5.364 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cccc(Br)c1 2321134070 LJUZUYUPOMCIBP-JKSUJKDBSA-N 310.279 5.092 30 10 DKEE C=C(C)CC[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2353048358 RLEYOTGRMWWTCN-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE CC(C)(C#N)c1ccnc(Sc2cc(Cl)cc(Cl)c2)c1 2363639463 PSWAXFPNEZEWTA-UHFFFAOYSA-N 323.248 5.341 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(SC(F)(F)F)cc1 2364224780 NTXPYHQEAMVWRH-UHFFFAOYSA-N 300.345 5.250 30 10 DKEE C#Cc1ccccc1N[C@H](C)c1cc(Cl)cc(Cl)c1F 2365440956 DWAGDDVEKIZLQA-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cccc(Cl)c1C(F)(F)F 2370518553 LSWRCWHFCVINPX-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CCCCCCC[C@H](C)NCc1cc(F)c(Cl)cc1Cl 2377302022 DOXTYZNKRBPEDE-LBPRGKRZSA-N 320.279 5.971 30 10 DKEE N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 58929228 NEAKMVZDHXILFH-SOLBZPMBSA-N 306.796 5.038 30 10 DKEE Cc1oc(C)c(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1C 87199445 RQKGHQJKBWESSA-GFCCVEGCSA-N 322.191 5.002 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1ccc(Cl)s1 94580211 QQDXGVGGROTVOM-UHFFFAOYSA-N 319.967 5.350 30 10 DKEE CCCCCCC[C@](C)(NCCC)c1nc(C(C)C)cs1 109690242 LXGCPIVKZUSBMX-SFHVURJKSA-N 310.551 5.842 30 10 DKEE CCCCCCCCCC[C@@H](O)Cc1ccc(F)cc1Cl 109714740 MHJVBORUBIVPOG-QGZVFWFLSA-N 314.872 5.913 30 10 DKEE N#Cc1cc(N[C@H]2CCc3sc(Cl)cc32)ccc1Cl 129536015 INKIQZFDCFQNOY-LBPRGKRZSA-N 309.221 5.026 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CCCC[C@@H]1C(F)(F)F 135351072 NIKSELZUQOROCX-PMPSAXMXSA-N 308.428 5.857 30 10 DKEE Cc1cc(Oc2ccc(Br)cc2C#N)ccc1Cl 229179779 SILYMHVWIWINMC-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C([C@@H](NCCC)c1cc2sccc2s1)C(F)(F)F 311554264 WSIDVDZAZLFXPQ-GFCCVEGCSA-N 305.390 5.122 30 10 DKEE C=CCC[C@@H](NCC)c1cc(Cl)c(C)cc1Br 393828181 IUYIHUPRIZCPMV-CQSZACIVSA-N 316.670 5.028 30 10 DKEE CCCCCCCCC[S@](=O)Cc1c(F)cccc1Cl 586373356 CBXHQWVCMAMIDU-FQEVSTJZSA-N 318.885 5.478 30 10 DKEE CC(C)C(C#N)(C(C)C)N(C(=O)OC(C)(C)C)c1ccccc1 698443130 HZYXHMVEFPQIAW-UHFFFAOYSA-N 316.445 5.002 30 10 DKEE CC(C)=C1Oc2cc(OCc3cc(C)c(C)cc3C)ccc2C1=O 1871418090 WCLGGWCCMMUKJF-UHFFFAOYSA-N 322.404 5.060 30 10 DKEE CC1(CC[C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 1902043645 SEBRNOAQYNNLNE-INIZCTEOSA-N 320.477 5.029 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1csc(C)c1Br 1902877442 SMOLTFOAKXJGJW-NSHDSACASA-N 322.699 5.002 30 10 DKEE C=C(COCc1ccccc1)[C@@H](C[C@H](C)C(C)(C)C)NCCC 1922079824 JBTRFIHWYNMGDM-AZUAARDMSA-N 317.517 5.200 30 10 DKEE CCCCCCC[C@]1(O)CC[C@H](C)C[C@H]1OCc1ccccc1 1977469526 WQOFNYMUMVJVDV-TYPHKJRUSA-N 318.501 5.483 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 1985704409 DOLJBOPKAFPNAQ-HXUWFJFHSA-N 313.416 5.180 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@H]1C[C@H]1C1CCCCCC1 1993110143 XEFIXXNZMISNPP-YADHBBJMSA-N 311.513 5.671 30 10 DKEE C=CCCCCCCC(=O)c1ccc(Br)s1 1995170265 AVHNYXVEGPAGLN-UHFFFAOYSA-N 301.249 5.220 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(Br)cs1 1995171974 VELSQVCNBSYHEX-LBPRGKRZSA-N 303.265 5.071 30 10 DKEE C=CCCCCCCNc1cc(Cl)cc(Br)c1 2026024160 OFMUYQLQYYYTNY-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Br)ccc1C 2085838926 JEIRXLNUEBBZJU-INIZCTEOSA-N 310.279 5.284 30 10 DKEE C=CCCCCCCC(=O)c1ccc(Br)cc1F 2085850833 ZMHHBYOCMACGOG-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2snc(Cl)c2Cl)CC1 2110928718 CZKXNQDEMIWOBN-AWEZNQCLSA-N 317.285 5.493 30 10 DKEE C=CCCCCCC[C@@](C)(N)Cc1ccc(Br)cc1 2141913728 KZVUPSZIHDYWMV-QGZVFWFLSA-N 324.306 5.236 30 10 DKEE C=CCCCCCCCCNc1ccc(Cl)c(Cl)c1 2142445917 LBFSCIYHPDKYHG-UHFFFAOYSA-N 300.273 6.322 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(C(F)F)cs1 2164491295 GISOJMGAVYKOIV-AWEZNQCLSA-N 303.462 6.216 30 10 DKEE CN(CCCCCCCCCS)C[C@@](C)(F)C(C)(C)F 2173198918 CTTUONMCWNLGEC-MRXNPFEDSA-N 309.510 5.055 30 10 DKEE C=C1CC(C[C@H](N)c2ccc(-c3ccc(Cl)cc3)s2)C1 2182176394 ZYYNOPGTCYITIY-HNNXBMFYSA-N 303.858 5.425 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H](C)C(C)(C)C(F)F 2193163784 ZPKIREQHKUTAFL-ZDUSSCGKSA-N 309.510 5.114 30 10 DKEE CCCCCCCCCN(C)[C@@H]1CS[C@H](C(F)(F)F)C1 2195537406 PBJRPOBRBKVBQD-KBPBESRZSA-N 311.457 5.105 30 10 DKEE CCCCCCCCN(C)Cc1cscc1C(F)(F)F 2196690612 KGNGIXYHABKQDX-UHFFFAOYSA-N 307.425 5.559 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1c(Cl)cccc1Cl 2203808330 VNERGJPXNVJITE-MRXNPFEDSA-N 312.284 5.618 30 10 DKEE C=CCCCCCC[C@@H](N)c1scc(Br)c1C 2213771177 OXIYKNCGDVZAOY-CYBMUJFWSA-N 316.308 5.345 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2224386515 TYSBEBRSIDQMAV-AWEZNQCLSA-N 323.691 6.431 30 10 DKEE C=CCCCCCCC[C@H](O)c1c(Cl)cccc1Cl 2227269582 AIQHZXRXMCEWBA-HNNXBMFYSA-N 301.257 5.944 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(Cl)cccc1Cl 2227274920 WBZAINWHZUTPFW-OAHLLOKOSA-N 300.273 5.910 30 10 DKEE C=CCCCSCCCCCCCCCCC(=O)OC 2296281499 LROFPLSCBYLVLA-UHFFFAOYSA-N 300.508 5.370 30 10 DKEE O=C(C=CNc1ccccc1F)c1ccc(-c2ccccc2)cc1 2297352204 XNNAHYMEVLQNBI-UHFFFAOYSA-N 317.363 5.301 30 10 DKEE CC(C)c1ccc(OCCON=C(c2ccccc2)C2CC2)cc1 2318633474 DZSIVCHLYFCKOK-UHFFFAOYSA-N 323.436 5.020 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1ccc2c(c1)CCCC2 2322328536 OXRPCJJLMLZYNL-UHFFFAOYSA-N 320.432 5.250 30 10 DKEE C=CCOc1cccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2323193756 AOFLUCQYTNGAEB-UHFFFAOYSA-N 320.432 5.445 30 10 DKEE CC(C)(C)[C@@](C)(CS)COc1cc(Cl)cc(Cl)c1 2327165205 HVDVDZFPVCXNML-CQSZACIVSA-N 307.286 5.354 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cc2sccc2s1 2370483338 SQSBKAIIZLAUDT-IRXDYDNUSA-N 307.528 5.996 30 10 DKEE CC(C)(C#N)CCCCOCc1cc(F)c(Cl)cc1Cl 2377403856 UQPCSHLBKZRUIX-UHFFFAOYSA-N 318.219 5.369 30 10 DKEE Fc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1 584490 RTTANKXEMRFRPL-CNHKJKLMSA-N 302.563 5.537 30 10 DKEE COc1cccc(/C=C/C(=O)c2c(C)cc(C)c(Cl)c2C)c1 83194230 CJQHLPYXSZGPCV-CMDGGOBGSA-N 314.812 5.170 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2c(C)ccc3ccccc23)cc1 83204379 JKSZWUGKBBWQTI-RVDMUPIBSA-N 316.400 5.443 30 10 DKEE CCCCCCCCCCCC[C@H](NN)c1sccc1C 122729014 QHZQNFXGLVBUKF-KRWDZBQOSA-N 310.551 5.872 30 10 DKEE CCCCCCCCCCn1c(S)nc2cc(F)ccc21 129435097 OZGQYOQCDRIBSQ-UHFFFAOYSA-N 308.466 5.605 30 10 DKEE Cc1ccnc(Oc2cc(Cl)c(Cl)cc2Cl)c1C#N 135089009 WHRQJHLGGRMNNS-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE CCSc1cccc(NCC[C@H]2CCC[C@@H](C)C2)c1C#N 136670390 FQAVKPPVCJRURT-HUUCEWRRSA-N 302.487 5.299 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1sccc1CC 162509925 RNBHGSNMKXJFIL-SFHVURJKSA-N 309.563 6.621 30 10 DKEE CSc1cccc(Nc2ccc(C(F)(F)F)c(C#N)c2)c1 164379495 LEOBMTNJVLCEFB-UHFFFAOYSA-N 308.328 5.043 30 10 DKEE C=CCCCCCCCCOc1ccc(-c2ccc(O)cc2)cc1 205234695 RESOULVLHKKWAX-UHFFFAOYSA-N 324.464 6.355 30 10 DKEE N#Cc1ccc(Cl)cc1OCCCCCCCCCS 312334078 FEOIPKJTBPXIAQ-UHFFFAOYSA-N 311.878 5.251 30 10 DKEE CC(C)C1CCC(C=O)(Cc2c(Cl)cccc2Cl)CC1 317305319 NCKLAICOHMRYHT-UHFFFAOYSA-N 313.268 5.567 30 10 DKEE C=C(CC)C[C@H](NCC)c1cccc(NC(=O)OC(C)(C)C)c1 407621416 FVDCTHWLUHVXDN-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE CCCCCCCCCC(=O)c1csc(C(F)(F)F)c1 705507281 PFOANKZFOIHXSS-UHFFFAOYSA-N 306.393 6.090 30 10 DKEE C=C1CCC(C[C@@H](NCCC)c2scc(C)c2Cl)CC1 724615802 HTICNEKSWWHGFD-OAHLLOKOSA-N 311.922 5.887 30 10 DKEE Cc1ccc(Sc2ccc(C=NNc3ccccc3)o2)cc1 1082936770 BVFVSFNGARZRFC-UHFFFAOYSA-N 308.406 5.185 30 10 DKEE CCCCCCCCCCn1c(C)cc(OCCC)cc1=O 1860784788 FWIBOZVBXIJMIT-UHFFFAOYSA-N 307.478 5.086 30 10 DKEE C[C@@H](c1cccs1)N(CC#CC(C)(C)C)Cc1ccccc1 1962674114 WCNICYMEJWLWAT-KRWDZBQOSA-N 311.494 5.361 30 10 DKEE C=CCC[C@@H](O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993582180 GCDKIIWQKYIHTR-QGZVFWFLSA-N 319.445 5.157 30 10 DKEE C=CC1(CNCc2cccc(OCc3ccccc3)c2)CCCC1 2015504908 BMEXETLTKKTNJK-UHFFFAOYSA-N 321.464 5.102 30 10 DKEE Cc1ccc(C=CC(=O)CCc2c(Cl)cccc2Cl)cc1 2040736832 GLPJMWVOFMACHH-UHFFFAOYSA-N 319.231 5.517 30 10 DKEE C=C(C)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)s1 2051372734 SGRKBESLTUADOK-CYBMUJFWSA-N 323.255 5.177 30 10 DKEE C=CCCCCCC[C@@H](NC)c1scc(Cl)c1Cl 2085851379 GKATZLHJKYGBPE-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cc(F)cc(Br)c1 2117013173 HETZQUHMBRFSSR-INIZCTEOSA-N 324.237 5.241 30 10 DKEE CCCCCC1CC(C#N)(Nc2ccc(Br)cc2)C1 2123513971 ITDHFYVLMKWQNS-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cccc(Br)c2C)C1 2125736142 RMTOURVNSDZHRZ-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ncc(C(F)F)s1 2154771378 BCEAULKTTHBVTM-GFCCVEGCSA-N 304.450 5.482 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1cc(Cl)ns1 2167197072 WQJUBMZCQKAWHV-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE C#CC[C@H](CN[C@@H](CC)c1ccc(Cl)cc1Cl)C1CC1 2196812854 VOKLFYXJSRHMMA-DYVFJYSZSA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@@H](O)c1cc(Cl)cs1 2207436415 KQIPDOSHXVNZFG-GDBMZVCRSA-N 315.910 5.069 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@@H](C)NCC)cc1C 2217385154 SMCOFLUSYXQLJP-LJQANCHMSA-N 322.496 5.248 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc2sc(C)cc2s1 2235542219 PXVHNJLOEMHNTN-CQSZACIVSA-N 307.528 6.188 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c([C@H](C)N)s1 2239507508 LQLQXOPXLKGSOS-LBPRGKRZSA-N 318.914 5.336 30 10 DKEE CCCCCCCC[C@@](C)(N)c1nc(C(C)(F)F)cs1 2240617196 BMOPWENFFIXYSC-CQSZACIVSA-N 304.450 5.179 30 10 DKEE CC(C)(C)C#CC=CCc1cc(Cl)c(Cl)cc1Cl 2256695251 YBOIWWYKSQGLRJ-UHFFFAOYSA-N 301.644 5.795 30 10 DKEE CC(=O)C=C(C)Nc1cc2[nH]c(-c3ccccc3)cc2cc1C 2296651193 KKTLMEBLGPJFPN-UHFFFAOYSA-N 304.393 5.048 30 10 DKEE C=CCC(CC=C)c1cc(Br)cc(OC2CC2)c1 2316747655 SGFZLTLPUVVYEC-UHFFFAOYSA-N 307.231 5.226 30 10 DKEE CCc1ccc(C(C)=NOCc2ccc(C(C)(C)C)cc2)cc1 2318633760 OHVQLABIVGJKTH-UHFFFAOYSA-N 309.453 5.487 30 10 DKEE Cc1ccc(C(=NOCc2cccc3ccccc23)C2CC2)cc1 2330296553 NKKCIMQDZASQNW-UHFFFAOYSA-N 315.416 5.479 30 10 DKEE C[C@H]1CCC[C@@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2349905597 DKNUZSCGYQFLOX-BONVTDFDSA-N 303.204 5.070 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2366025596 UEIBHUCSVKUDMQ-HOTGVXAUSA-N 314.256 5.445 30 10 DKEE C#Cc1cccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 37185176 RJDQYEBFCLQEON-JTQLQIEISA-N 324.638 5.801 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 50039120 BIYFSWZPHGLBCJ-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE Cc1ccsc1[C@H](C)Nc1ccc(C#N)cc1C(F)(F)F 70090644 LDDWKWIVSWWDED-JTQLQIEISA-N 310.344 5.120 30 10 DKEE Cc1cc(Cl)c(C(=O)/C=C/c2ccc(Cl)cc2)cc1C 83204295 MYECEVKGOZJZLW-VMPITWQZSA-N 305.204 5.506 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cc(Br)cs2)C1 87973057 IBERIYXDOXPXJM-SMDDNHRTSA-N 312.276 5.163 30 10 DKEE SCC1(COc2cc(Cl)cc(Cl)c2)CCCCC1 94584809 LTRNFYHPOOAZLX-UHFFFAOYSA-N 305.270 5.253 30 10 DKEE CCCCCCCC[C@@H](CSc1cccc(F)c1)NCC 117398766 WNRAVGHQBPVSSG-KRWDZBQOSA-N 311.510 5.647 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cnc2ccsc2c1 126317404 BEMORCKVSYSXNP-MRXNPFEDSA-N 304.503 5.698 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1c(Cl)cnn1C 129702068 VDOOFHIMHYJSGP-MRXNPFEDSA-N 313.917 5.255 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(F)c(C(F)(F)F)c1 159011846 ZFINKYMHHZJVEF-OAHLLOKOSA-N 305.359 5.595 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccc(SC)cc1 162345958 YYICBIXFIWRYHY-LJQANCHMSA-N 307.547 6.200 30 10 DKEE CSc1cccc(N[C@@H](C)c2ccc(Cl)cc2)c1C#N 167582849 CAYVLSVZYVMWJU-NSHDSACASA-N 302.830 5.107 30 10 DKEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1cccc(Cl)c1Cl 306640536 KEXVANCTXQTYKE-KTKRTIGZSA-N 313.033 5.028 30 10 DKEE Cc1cc(C#N)cc(N[C@@H](C)c2cccc(Cl)c2Cl)c1 308122979 QHHYZLFYHAHLAW-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@H](NC)c1cscc1C(F)(F)F 380524099 RVABSNGVYJKKTL-AWEZNQCLSA-N 307.425 5.778 30 10 DKEE C=CCCSCCN[C@H](C)c1cc(Cl)cc(Cl)c1F 692301390 RRKZKFCYHRNYMO-SNVBAGLBSA-N 322.276 5.092 30 10 DKEE CCC[C@](C#N)(C1CCC1)N(C(=O)OC(C)(C)C)C1CCCC1 698874302 MVHZKHDFRKEPFM-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cc(Cl)sc1Cl 703956035 XSCBOPWEXKRJGX-JTQLQIEISA-N 306.302 5.698 30 10 DKEE CCO[C@H]1CCC[C@@H](OCCCCCCCCCS)C1 721506215 CVWCNJNBNNHJMS-DLBZAZTESA-N 302.524 5.011 30 10 DKEE C=C(C)Cn1c(-c2ccc(OCCC)cc2)nc2ccccc21 1873522247 PEJPRGCJGYEIOD-UHFFFAOYSA-N 306.409 5.068 30 10 DKEE CCCCCCCCCCC(=O)[C@H](O)c1ccc(Cl)o1 1918942738 VBWKMYDWSNXKHY-INIZCTEOSA-N 300.826 5.066 30 10 DKEE C=C(COCc1ccccc1)[C@H](C[C@@H](CC)C(C)(C)C)NCC 1922116486 QSPBVWGBBAWWFG-UXHICEINSA-N 317.517 5.200 30 10 DKEE C=C(CC)C[C@H](NCC)c1c(C)sc(C)c1Br 1948479924 FCSUBHAKQTWLLV-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE CCCCCCCCC=CCCCCCCCCCC(N)=O 2045316027 LBHQTVBKPMHICN-UHFFFAOYSA-N 309.538 6.289 30 10 DKEE FC(F)c1ccc(OC(F)(F)F)c(C(F)(F)F)c1Cl 2054959857 QGOHVMAZWMBJRI-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=C(Br)CCOc1ccc(Oc2ccccc2)cc1 2107120131 GMMFYKIPVLQGQM-UHFFFAOYSA-N 319.198 5.156 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cc(Cl)sc2Cl)CC1 2125193130 LLGXHRNBULYYEN-SNVBAGLBSA-N 317.281 6.010 30 10 DKEE CC1(C)CC[C@@]1(C#N)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2131991060 FFCJKTWZPAZVHX-GXTWGEPZSA-N 318.631 5.010 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H](O)c1ccsc1Cl 2148600623 LMDVOMAAGQRJTC-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE CN(CCCCCCCCCS)C[C@H]1CCC[C@@H](F)C1 2152361489 VEZDVXSGHJHAFL-DLBZAZTESA-N 303.531 5.107 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(Cl)cc2Cl)CC1 2157121582 WVCXSOBEMKUBTI-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2ccc(Cl)cc2Cl)C1 2168547343 GTDGPZYFQUIHNS-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE SCCCCCCCCCN1CCC[C@@H]1c1ccsc1 2170017606 ZFPBOSPTDGYSPZ-QGZVFWFLSA-N 311.560 5.546 30 10 DKEE C=CCCCC[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 2179683398 TYAVGXVKWGVGOL-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1c(Cl)cncc1Cl 2196172794 WPIWJRMVKLLUPZ-OAHLLOKOSA-N 313.272 5.013 30 10 DKEE C=C(c1ccccc1)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 2197142253 OBKFPSQWGVDFMJ-QGZVFWFLSA-N 307.220 5.304 30 10 DKEE C=C[C@@H](CCCCC)OCC(=O)c1ccc(Cl)c(Cl)c1 2239561215 HRGMQYZWBWITII-ZDUSSCGKSA-N 315.240 5.328 30 10 DKEE C=CCCCCC[C@@H](N)c1scc(Br)c1Cl 2242661922 QEWUFTBDZUYLKZ-SNVBAGLBSA-N 322.699 5.300 30 10 DKEE C=C(C)CCCCC[C@@H](NC)c1ccccc1Br 2259231095 DNLWDBMSYDVLBX-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE CC(C)c1cccc(Nc2c(Br)cccc2C#N)c1 2269693388 VEJLLKOFRGWWBJ-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CCCCCCCCCCN=c1[nH]c(Cl)nc(Cl)c1C 2281511208 RYMZRYARBYWITP-UHFFFAOYSA-N 318.292 5.066 30 10 DKEE CCCCCCCC[C@H](OCCCN)c1csc(Cl)c1 2293307366 VKJHIORQEWXCSL-HNNXBMFYSA-N 317.926 5.559 30 10 DKEE CCCCCCCCCC[C@@](C)(CSC)OCCCN 2294562979 RIQXUTJUXJGQSP-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Br)c(Cl)c1 2304126456 XKGBFOXJPDWVJQ-KBPBESRZSA-N 317.654 5.128 30 10 DKEE CC[C@@H]1CC[C@@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2368118725 XABCPLNGHUYSOT-NEPJUHHUSA-N 300.311 5.140 30 10 DKEE O=CC1(Cc2cc(F)c(Cl)cc2Cl)CCCCCCC1 2377402733 HCTCCPPXYXJXKH-UHFFFAOYSA-N 317.231 5.605 30 10 DKEE O=C1/C(=C/c2ccccc2Br)CC[C@H]1C1CCCC1 248002 AUZMOPKQJSJHMR-GOFCXVBSSA-N 319.242 5.002 30 10 DKEE CCCCOc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1 39842623 SUJPHNUIOQSJAY-MOSHPQCFSA-N 322.404 5.099 30 10 DKEE C/C(=N/Nc1nc2ccccc2s1)c1cccc2ccccc12 96871529 UHEZMLFOIPQAEF-BKUYFWCQSA-N 317.417 5.286 30 10 DKEE Cc1cc(C#N)ccc1Nc1cc(Br)ccc1Cl 104170001 ZTHNYGOFMKUPAA-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1 109738483 YSKJPESRIFDAHL-CQSZACIVSA-N 302.289 5.614 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 109900851 ZCLWNHPEQRQLIR-GVDBMIGSSA-N 301.499 5.736 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccc(SC)cc1 122678055 MVTVALNTLXWRPL-SFHVURJKSA-N 308.535 5.444 30 10 DKEE CSc1ccc([C@@H](C)Nc2cc(C#N)ccc2Cl)cc1 127762729 BJHVLWRVCDPHMV-LLVKDONJSA-N 302.830 5.107 30 10 DKEE CCCCCCCCCC[C@H](O)COc1ccc(Cl)cc1 135556706 CWLMKLVJHVXPRI-KRWDZBQOSA-N 312.881 5.611 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1CCCc2sccc21 139533699 BECXKRIDRNBGFR-AEFFLSMTSA-N 307.547 5.897 30 10 DKEE CCCCCCCCCC[C@@H](Cc1ccsc1)NCCC 143438502 PCJXNPDYVYICRN-IBGZPJMESA-N 309.563 6.190 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(OC)cc1Cl 164222114 DSHNKFSRYMGFFC-OAHLLOKOSA-N 318.288 5.752 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc(Cl)ccc2Cl)C1 222244601 GNEPHALWVMFELB-NRUUGDAUSA-N 300.254 5.414 30 10 DKEE O=C(C1=CCCCCCC1)c1ccc(F)c(Br)c1 236228944 LSLIUEFFTGUHJO-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE Cc1ccc(N=Cc2cccc(OCc3ccccc3)c2)c(C)c1 252462994 YBIOOJKMDAQQME-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE C=CCCC[C@@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl 398154409 FUZJZAPMNHENKZ-GHMZBOCLSA-N 304.236 5.528 30 10 DKEE C=CCCC(C)(C)CN[C@@H](CC)c1cccc(Br)c1 704040228 OYDQTRYHPRYHSD-INIZCTEOSA-N 324.306 5.482 30 10 DKEE CC/C(=N\OCCCc1ccccc1)c1ccc(C(C)C)cc1 821217535 DYILOMULQZWKLQ-QURGRASLSA-N 309.453 5.574 30 10 DKEE CC(C)(C)C1CCC(=NOCCOc2ccc(Cl)cc2)CC1 1860465236 QVMVEIOQWXRSGF-UHFFFAOYSA-N 323.864 5.328 30 10 DKEE COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1F 1874577089 VWBBQRCCBWMSJO-MDZDMXLPSA-N 324.326 5.023 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccc(Br)s1 1920165745 FQFIGYQMJVBKKP-CQSZACIVSA-N 318.324 5.435 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCCCCC)NCCC 1922054755 MGKQEOFDOGVRFK-FQEVSTJZSA-N 303.490 5.098 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1scc(Cl)c1Cl 2040534778 UZBPVCFTAMRTMM-MFKMUULPSA-N 306.302 5.698 30 10 DKEE C=CC[C@@H]1CCCCN(Cc2cc(Cl)sc2Cl)C1 2075312068 PJTKNIQLHOIWEE-LLVKDONJSA-N 304.286 5.233 30 10 DKEE CCCC[C@@](C#N)(CC)CCOc1ccc(Br)cc1 2108206976 OWSXILVBQBQORQ-INIZCTEOSA-N 324.262 5.328 30 10 DKEE C=CCC[C@@H](C)Oc1c(Cl)cc(Cl)cc1CNC(C)C 2158322595 DDOBHJQSCBABRX-GFCCVEGCSA-N 316.272 5.225 30 10 DKEE CCCCCCCCCNCc1cc(C(F)(F)F)cs1 2161223366 VMELJTUKDWCSAG-UHFFFAOYSA-N 307.425 5.607 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cccc(SC(F)(F)F)c1 2164162981 XVXYVJWGPDLHLK-FZMZJTMJSA-N 303.393 5.161 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(F)c(Cl)c1F 2164166335 SFTWWIABLWHADR-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE C=C1CC(C[C@@H](CSc2cccc(Cl)c2)NCCC)C1 2182158024 NHHDLEJHEGJTEJ-INIZCTEOSA-N 309.906 5.157 30 10 DKEE CCCC#CC[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2203836519 ZZKSGNMNJUUJOI-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE CCC[C@@H](C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C(C)C 2234038119 WOVVKVQTSPCKHF-OCCSQVGLSA-N 312.240 5.242 30 10 DKEE N#Cc1ccc(SCCCCCCCC2CC2)cc1Cl 2239336067 HVQUHTRXKBLVBC-UHFFFAOYSA-N 307.890 6.054 30 10 DKEE C=CCCCC(=O)c1cc(Br)cc(C(C)(C)C)c1 2260191639 LGPQLXSGXDQOOJ-UHFFFAOYSA-N 309.247 5.286 30 10 DKEE CCCN[C@H](C#Cc1ccccc1Cl)c1ccsc1Cl 2295215189 VCVCJCUICGHMLN-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE Cc1cc(C)c(OC(C)C)c(C(=O)C=Cc2cccs2)c1 2295967925 LPRIHYRQRCOZAC-UHFFFAOYSA-N 300.423 5.048 30 10 DKEE C=CCC(CC=C)SC[C@H](N)c1cc(Cl)ccc1Cl 2335097428 XPZFZMYTZAZFCM-HNNXBMFYSA-N 316.297 5.247 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1ccc(Cl)cc1Cl)NCC 2370483008 QKSHIGZLRIUWKT-IRXDYDNUSA-N 314.300 5.506 30 10 DKEE N#CCc1ccc(NCc2sc3ccccc3c2Cl)cc1 37979395 LHMDAMXSVBWZTP-UHFFFAOYSA-N 312.825 5.233 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(OCCCC)cc1 100048433 MZABJIWQEOSZIJ-NRFANRHFSA-N 319.533 6.267 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)c1cccs1 109717649 REHOATSPFHJGBZ-GOSISDBHSA-N 309.563 6.710 30 10 DKEE CCCCCCCCCCCCCC1=N[C@](CC)(CO)CO1 111899633 CZTMWKFITKPOPK-LJQANCHMSA-N 311.510 5.257 30 10 DKEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)c(F)c1 214978048 XJWKVWBRZFNHGE-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCC[C@H](O)c1c(F)cc(F)cc1F 229275284 HSWDZEOLGAFROL-INIZCTEOSA-N 302.380 5.668 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(F)c(Cl)cc1F 229276742 DHMLEARWAQEUCV-KRWDZBQOSA-N 318.835 6.182 30 10 DKEE Cc1ccc(C=Nc2ccc(N=Cc3ccc(C)s3)cc2)s1 254384156 OUUHVWPGOBIQIZ-UHFFFAOYSA-N 324.474 5.928 30 10 DKEE Cc1cc(Cl)c(Nc2nc(Cl)c(C#N)s2)cc1Cl 311050664 QRTJKQRQIMACDH-UHFFFAOYSA-N 318.616 5.027 30 10 DKEE C[C@H]1CC([C@@H]2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C[C@H](C)C1 382674337 JXYDDHPAQLXUKH-BZUAXINKSA-N 318.310 5.417 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cc(Br)cs1 703949074 UAJWCAHARXJTDT-NSHDSACASA-N 316.308 5.154 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1Cl 1874612302 NWNUTFJYQDTOJI-SOFGYWHQSA-N 321.203 5.288 30 10 DKEE C=C([C@@H](NCC)c1cc(C)c(Br)s1)C(C)(C)C 1947436490 NLKYPAJHALXYCB-GFCCVEGCSA-N 316.308 5.072 30 10 DKEE C=CC1CC(Nc2c(Cl)cc(Br)cc2Cl)C1 1985620080 ALIFEPISJRBFGR-UHFFFAOYSA-N 321.045 5.132 30 10 DKEE C=CCCCCCCCC[C@@]1(O)CC[C@@H]1OCc1ccccc1 1995326489 YQSLJBNZXDETEA-LEWJYISDSA-N 316.485 5.404 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Br)s1 1996468593 VNRCJYJSXOIDCZ-FZMZJTMJSA-N 316.308 5.154 30 10 DKEE C=CCC[C@@H](N)c1ccc(-c2cccc(Br)c2)s1 2045619108 CCUIGYUDGLUCGL-CYBMUJFWSA-N 322.271 5.144 30 10 DKEE N#Cc1cc(Cl)cc(OCc2cc(Cl)sc2Cl)c1 2074832217 MOHHJSXLSAHOEI-UHFFFAOYSA-N 318.612 5.159 30 10 DKEE CC(C)C(C(C)C)[C@@H](C)Nc1ccc(Br)c(C#N)c1 2087328863 ABIDBQVSHCKQBT-GFCCVEGCSA-N 323.278 5.049 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1cc(Cl)c(Cl)s1 2099900326 ZQASKSQZQTXYPK-ZDUSSCGKSA-N 322.301 5.078 30 10 DKEE SCCCCCCCCCOc1ccc2sccc2c1 2144360566 OXZDTUMQANEYCL-UHFFFAOYSA-N 308.512 5.941 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H](O)c1ccsc1Cl 2148600624 LMDVOMAAGQRJTC-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE C[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)c2ccsc2S1 2152744313 LNTSLMMEVXTDLB-OTYXRUKQSA-N 320.870 5.311 30 10 DKEE CCCCCCC[C@H](N)c1ccc(SC(F)(F)F)cc1 2154640811 ZJXPIQAVPYYOKN-AWEZNQCLSA-N 305.409 5.659 30 10 DKEE C[C@](N)(CC#CC1CCCCC1)c1cc(Cl)ccc1Cl 2154708606 LFJVZSHKZKGPIC-KRWDZBQOSA-N 310.268 5.141 30 10 DKEE Cc1cc2sc(C(=O)C3=CC[C@@H](C(C)C)CC3)cc2s1 2181644531 KOUMHOJVNOHKIP-GFCCVEGCSA-N 304.480 5.836 30 10 DKEE C=CCCCCCC[C@H](Cc1c(Cl)cccc1Cl)NC 2206898258 GIFLJEFHDHDNBQ-CQSZACIVSA-N 314.300 5.651 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc2c(s1)CCSC2 2206903218 QFXNOBWMDATJOS-OAHLLOKOSA-N 309.544 5.325 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)ccc1Cl 2227286792 YIOGWSDHIUXOIU-INIZCTEOSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Cl)c(F)cc1F 2235523379 FGMPIRUWQCXYIV-MRXNPFEDSA-N 302.792 5.568 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Cl)c(F)cc1F 2235538734 KTEHPVRSBYBFGF-UHFFFAOYSA-N 300.776 5.718 30 10 DKEE CCCCCCCCCCOC[C@H](N)c1ccc(Cl)s1 2239492260 IRDYZOKPJZPBPS-AWEZNQCLSA-N 317.926 5.559 30 10 DKEE C=CCCCCCCC[C@H](N)c1csc(Cl)c1OC 2268926333 PVLZUMOROORSML-ZDUSSCGKSA-N 301.883 5.327 30 10 DKEE C=C(C)CCCCC[C@H](NCC)c1ccccc1Br 2271799582 USUACFAXWQHEAH-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE CCCCCCCCC[C@@H](NC)c1sc(Cl)cc1OC 2295738583 FZFAYFHFDRWZNV-CYBMUJFWSA-N 317.926 5.811 30 10 DKEE C=CCCC[C@@H](C)NCCCc1cc(Cl)cc(Cl)c1 2341125867 BZUVYUQCGCLDMT-CYBMUJFWSA-N 300.273 5.260 30 10 DKEE C=C1CCC(C[C@H](N)c2cc(F)c(Cl)cc2Cl)CC1 2349850954 HSQOKRZJRPWQSG-HNNXBMFYSA-N 302.220 5.269 30 10 DKEE Cc1ccccc1N/N=C/c1cccc(Oc2ccccc2)c1 59153324 RBVSNNMDMQDOBG-RCCKNPSSSA-N 302.377 5.233 30 10 DKEE N#C[C@H](CSc1cc(Cl)ccc1Cl)c1ccccc1 80800601 LYOVYBKLMSTAEI-GFCCVEGCSA-N 308.233 5.393 30 10 DKEE Cc1cc(C(=O)/C=C/c2ccc(OC(C)C)cc2)ccc1Cl 83193041 UGCSXBYTSSNQIZ-IZZDOVSWSA-N 314.812 5.332 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2cccs2)cc1C 83193716 LUGKUVYZHMKZAQ-BQYQJAHWSA-N 300.423 5.050 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2cc(C)ccc2OC(C)C)c1 83205109 LOWONCSGBCXZDP-ZHACJKMWSA-N 324.420 5.077 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cccc(Br)c2)C1 87972801 RNEHCXNLDAJKNB-XJKSGUPXSA-N 306.247 5.102 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2cccc(C(F)(F)F)c2)cc1C 103030759 QKYLZPWKHGEQAZ-HJWRWDBZSA-N 319.326 5.131 30 10 DKEE CCCCCCCCCOc1ccc(CC2CCNCC2)cc1 106150203 MNBMSFXZCSOPFY-UHFFFAOYSA-N 317.517 5.358 30 10 DKEE CSc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)cc1 110981875 NSVJTWPHMVAOCQ-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cccc2ccsc12 124379343 MCEWTUVVBAXMLG-QGZVFWFLSA-N 304.503 5.546 30 10 DKEE Cc1ccc(C#N)cc1N[C@H]1CCCc2sc(Cl)cc21 128216235 OFEPCCIZSAMQHU-ZDUSSCGKSA-N 302.830 5.071 30 10 DKEE CCCCCCCCCCNC[C@H](O)c1ccc(Cl)cc1 129338911 AFJGWFFTOXDDJU-SFHVURJKSA-N 311.897 5.104 30 10 DKEE CCCCCC[C@H](C)Nc1ccc(Br)cc1C#N 132187578 ANALQNRZUCRFMY-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)cc1Cl)NCCC 715746735 DWJLJOCBCZHPIU-WBMJQRKESA-N 300.273 5.116 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@](C#N)(CC)CC1CCCCC1 720366823 KEQGRGMVQYYDNB-IBGZPJMESA-N 320.477 5.052 30 10 DKEE Cc1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1C 1084036609 GVJRSDSGRUDFIN-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE C(#Cc1cccc2ccccc12)c1ccc(-c2ccccc2)s1 1615950075 QBZDDLMAABIPDP-UHFFFAOYSA-N 310.421 5.968 30 10 DKEE C[C@@H]1CCCC/C1=N\OCC(=O)c1ccc(-c2ccccc2)cc1 1860467985 RSHGCPRPGZHSKA-UMIVRTMYSA-N 321.420 5.119 30 10 DKEE CCCCCCCCCCCC(=O)N1c2ccccc2C[C@H]1C 1866332518 ZBUAFAIKFZCWCB-GOSISDBHSA-N 315.501 5.885 30 10 DKEE CC[C@H](C)CC(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911715535 FOBQQYNFGMMLMF-AWEZNQCLSA-N 317.429 5.052 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1N(Cc1ccccc1)Cc1cccs1 1915384625 GXSYQJKPXQXKBZ-QUCCMNQESA-N 324.493 5.223 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)C[C@@]1(C=O)CCCC(C)(C)C1 1980273069 AGPLCJHJZGYPKZ-GHTZIAJQSA-N 315.501 5.073 30 10 DKEE C=CCCCCCCCC[C@]1(O)CC[C@@H]1OCc1ccccc1 1995326492 YQSLJBNZXDETEA-SFTDATJTSA-N 316.485 5.404 30 10 DKEE C=C([C@H](NCCC)c1scc(Cl)c1Cl)C(F)(F)F 2035089426 HOTRYXXREKGIIG-VIFPVBQESA-N 318.191 5.214 30 10 DKEE CCc1c(OC(F)(F)F)cc(C(F)(F)F)cc1C(F)F 2060351030 JFMASDWFPBXSKD-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CCC[C@H](C)Oc1ccc2ccc(Br)cc2c1 2086333211 CXMSYCXTUNBFFG-LBPRGKRZSA-N 305.215 5.336 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C=O)CCCCC12CC2 2117056413 VOJDDQATOYDAQB-CXAGYDPISA-N 321.258 5.092 30 10 DKEE CCCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1OC 2139382377 RQRBTUHMZWWHOZ-ZDUSSCGKSA-N 305.245 5.396 30 10 DKEE C=C(CC)C[C@@H](COc1ccc(Cl)cc1Cl)NCCC 2152448125 XHMIPFUGTJXYHG-AWEZNQCLSA-N 316.272 5.097 30 10 DKEE C=C([C@@H](NC)c1cc(C(F)(F)F)ccc1Cl)C(C)(C)C 2152943690 QEWZOYHRPSWGFZ-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2158320225 JVYFKAYZFOGJMA-GUYCJALGSA-N 314.300 5.506 30 10 DKEE CCCC1(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)CCC1 2189684000 DHJRVEGDSBGJOO-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE C=C1CCC(C[C@@](C)(O)c2ccc(C(F)(F)F)s2)CC1 2196504243 OXOQUAVCCPSDCK-CQSZACIVSA-N 304.377 5.111 30 10 DKEE CCCCCCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1F 2204267762 WZTXNXXGMFOQDN-CQSZACIVSA-N 320.279 6.144 30 10 DKEE C=CCCCCCCCC(=O)[C@@](C)(O)c1ccc(Cl)s1 2235532928 PGVZHHKIOPYOTM-MRXNPFEDSA-N 314.878 5.095 30 10 DKEE CCCCCCCC(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235757701 TYTDGBRJOWXSQD-CYBMUJFWSA-N 312.240 5.530 30 10 DKEE C=C(C)CCCCC(=O)c1sc(C)c(C)c1Br 2250189736 KGHTYCCNINRTDL-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1csc(Cl)c1OC 2284284143 DEBCSAIIGCRXGR-CQSZACIVSA-N 315.910 5.587 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(Br)c1C 2321144476 IGNOHHIZLGBBIG-HZPDHXFCSA-N 310.279 5.010 30 10 DKEE C=CCC(CC=C)N[C@H](C)c1cc(Cl)cc(Cl)c1F 2335188894 VAXJWLJVJLFYLD-SNVBAGLBSA-N 302.220 5.304 30 10 DKEE CCCCCCCN(C)Cc1ccc(Cl)c(Cl)c1C 2338684985 UQEIVSIHWDIIHC-UHFFFAOYSA-N 302.289 5.704 30 10 DKEE CCCCCCCCCN(C)Cc1ncc(C(F)F)s1 2369564233 QLCYDUXGBBHXIX-UHFFFAOYSA-N 304.450 5.263 30 10 DKEE N#C[C@H](CCOc1ccc2ccccc2c1)c1ccc(F)cc1 57685810 JPHYQBVUGGSLPG-SFHVURJKSA-N 305.352 5.055 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1cc(Cl)ccc1Cl 94588781 YZBHYDXDZACYFB-VIFPVBQESA-N 309.327 5.678 30 10 DKEE CC(=O)/C=C(/C)Nc1cc(C)c2c(c1)cc(-c1ccccc1)n2C 103284529 MFUFZZOMMLRBJT-PTNGSMBKSA-N 318.420 5.058 30 10 DKEE CCCCCCC[C@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 109755557 MSWWAVMODMKLJZ-UONOGXRCSA-N 316.316 6.393 30 10 DKEE CCCCCCCCCC(=O)[C@@H](C)Oc1cccc(Cl)c1 135411618 SLIBKWBIXNLUDG-OAHLLOKOSA-N 310.865 5.817 30 10 DKEE CCCCCCCCCC[C@@H](O)[C@H]1CCCc2sccc21 135557388 CETIPDVFZUFJTR-FUHWJXTLSA-N 308.531 6.060 30 10 DKEE CCSc1cccc(Nc2ccc(F)cc2Cl)c1C#N 136619873 ZVALFGMBTMKTHS-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE O=CCCCCCCCCCCCCCO[C@H]1CCCCO1 137774590 BIVPNBQOTJDZRW-LJQANCHMSA-N 312.494 5.410 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cccc(F)c1Cl 157864878 ASGXZCRZCAFNBP-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE Cc1cccc(N[C@@H](C)c2cc(Cl)sc2Cl)c1C#N 235537537 INNMFLCRIVLVCK-VIFPVBQESA-N 311.237 5.408 30 10 DKEE Cc1ccc(C2(C#N)CCCCC2)cc1OCc1ccccc1 260627742 PCYSRRJKOXAOGL-UHFFFAOYSA-N 305.421 5.300 30 10 DKEE C=C(C)CCOC[C@@H](NCCC)c1ccc(Cl)cc1Cl 709520663 VDUDQXRXZBFNRV-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CCCCCCCCCCO[C@H](CC)CNCc1ccccc1 1915362452 CPKLSOLHTLHDMY-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE CCCCCCCCCC(=O)[C@](C)(O)c1csc(Cl)c1 1919399604 QDEDGZOJAAPZCN-MRXNPFEDSA-N 316.894 5.319 30 10 DKEE CCCCCCCC(=O)c1cc(Br)c(OC)s1 1946722067 SSVCEGWFLHGEPC-UHFFFAOYSA-N 319.264 5.062 30 10 DKEE C=CCCCCCCCCC[C@H](O)[C@H](C)OCc1ccccc1 1995325096 GCFLWBGUIILKOS-FPOVZHCZSA-N 318.501 5.650 30 10 DKEE C=CCCCC[C@H](NC)c1cc(Cl)cc(Br)c1 2009481270 GWSIHSMTMNTTAG-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=C1CCC(CNc2ccc(CC)cc2Br)CC1 2034303027 BZRRORPXDVNRNC-UHFFFAOYSA-N 308.263 5.170 30 10 DKEE CCCc1c(-c2scc(Cl)c2Cl)sc(C#N)c1N 2035091973 OOEPXNVPWCSEHS-UHFFFAOYSA-N 317.266 5.190 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1cc(F)ccc1C 2070130270 FUYHUCDUKNZAJJ-NRFANRHFSA-N 324.443 5.359 30 10 DKEE N#CC1(Cc2cc(Cl)sc2Cl)CCC2(CC1)CC2 2074834806 HLQFKKFQLNUWJD-UHFFFAOYSA-N 300.254 5.462 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)c(Cl)cc1Cl 2081455865 VFUANLISCSMBEY-UHFFFAOYSA-N 307.648 6.190 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1cc(Cl)cs1 2094006279 LTMHMHWFAPHDJV-UHFFFAOYSA-N 319.967 5.350 30 10 DKEE C=C([C@@H](N)c1ccc2cc(Br)ccc2c1)C(C)(C)C 2096631376 JVRZFABYBXIWEY-MRXNPFEDSA-N 318.258 5.204 30 10 DKEE C[C@@H]1CCC[C@](C#N)(Cc2csc(-c3cccs3)n2)C1 2144696003 ZIVGUZXEPCFTPQ-MLGOLLRUSA-N 302.468 5.134 30 10 DKEE C=CC[C@H](C)[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164166498 UOLOVIPVLUFJIA-SJCJKPOMSA-N 305.874 5.541 30 10 DKEE CCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@H]1NCC 2172978913 JCVITHMACWKQIF-MBOZVWFJSA-N 301.455 5.118 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 2200835962 FCFAVMJFDGYVNJ-SECBINFHSA-N 302.723 5.288 30 10 DKEE Cc1cc(Cl)cc(Cl)c1NC[C@@H](C#N)c1ccccc1 2201072146 UCHXQMWIEHIYSX-CYBMUJFWSA-N 305.208 5.021 30 10 DKEE C#CC[C@@H](C)C[C@H](NCC)c1ccc(-c2cccs2)s1 2205875890 BMXXBBFPCFGZKM-KGLIPLIRSA-N 303.496 5.177 30 10 DKEE C=CCCCCCCCCOc1cc(Cl)nc(Cl)n1 2225689165 DFOOODKGIPPLIS-UHFFFAOYSA-N 303.233 5.079 30 10 DKEE CCCCCCCC[C@H](C)N[C@H]1CC[C@@H](P(C)(C)=O)C1 2240658508 TZDKIDXBECJEOE-YESZJQIVSA-N 301.455 5.259 30 10 DKEE CCCCCCCNc1cc(F)cc(Br)c1C 2250467327 PNRCHCINGNJICB-UHFFFAOYSA-N 302.231 5.279 30 10 DKEE C=CCCCS[C@H](C)C(=O)c1ccc(Cl)cc1Cl 2258997593 OVQCUKOEVAHHTN-SNVBAGLBSA-N 303.254 5.264 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(Cl)c(OC)cc1Cl 2266787880 OIQABUQTWGBTCA-CQSZACIVSA-N 302.245 5.009 30 10 DKEE CCCCCCCCC[C@H](C)NCCc1ccc(Cl)s1 2295670515 GMYCONLUMHJORR-HNNXBMFYSA-N 315.954 6.063 30 10 DKEE CCCCC[C@H]1O[C@H]1CC=CCC=CCC=CCCCC(=O)O 2333317124 JBSCUHKPLGKXKH-MOPGFXCFSA-N 320.473 5.428 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(Br)c(C)c1 2344384043 KHLGCKLTLQLHEF-SJORKVTESA-N 324.306 5.401 30 10 DKEE C=CCC(CC=C)N[C@@H](c1cccs1)c1ccc(Cl)s1 2360216529 HPAUUAZGYPQIFG-INIZCTEOSA-N 323.914 5.663 30 10 DKEE CSc1ccc(COCCCCCCCCCS)cc1 2366021109 XWBCXAZSHSMFDY-UHFFFAOYSA-N 312.544 5.586 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)c(C(F)F)s1 2371200829 GGZWWNUMZNBHNW-LBPRGKRZSA-N 323.880 6.480 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)cc1 83204684 QEVKBRLXNBCKMP-MDWZMJQESA-N 324.420 5.159 30 10 DKEE CC(C)Cc1c(C#N)oc2c(Cl)cc(Cl)c(Cl)c12 110162031 GGTRDXOIFJIXMM-UHFFFAOYSA-N 302.588 5.463 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Br)cc1C 158046030 ZPSZPOYBCLWJGG-MRXNPFEDSA-N 312.295 5.379 30 10 DKEE CCC[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1 168241111 HBFWKRMXVMLFFF-INIZCTEOSA-N 302.780 5.304 30 10 DKEE C=CCC[C@H](C)Nc1cc(C(F)(F)F)ccc1Br 235096614 ZAOZLIRFGFBZJL-VIFPVBQESA-N 322.168 5.235 30 10 DKEE CCCSC1CCN(CC(CS)(CCC)CCC)CC1 383240201 BMHJYYDDEYFZKU-UHFFFAOYSA-N 317.608 5.110 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1N[C@@H]1CCCC[C@@H]1C#N 691170091 DQVPKAHSZLGVGC-WIYYLYMNSA-N 320.436 5.068 30 10 DKEE C=CC(C)(C)CCN[C@@H](c1ccco1)c1ccc(Cl)s1 701890514 GZWWFOMDIZMVPX-HNNXBMFYSA-N 309.862 5.276 30 10 DKEE C=C1CCC(CNc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 724453036 ZPLYWSZQDSEXPA-UHFFFAOYSA-N 315.200 5.060 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cc3sccc3s2)CC1 724618570 RKSQBTLHQNEFGQ-AWEZNQCLSA-N 305.512 5.750 30 10 DKEE C(=NN(c1ccccc1)c1ccccc1)c1ccc2cccnc2c1 1084226634 FDGKAIANYAJSAP-UHFFFAOYSA-N 323.399 5.407 30 10 DKEE CCCCCCCCCSc1nc(-c2ccccn2)cs1 1860814034 VTEBOBHERHNJFW-UHFFFAOYSA-N 320.527 6.048 30 10 DKEE C=C1CCC(C[S@](=N)(=O)c2cc(Cl)ccc2Cl)CC1 1879721873 XOPRFYVIKIDBBD-IBGZPJMESA-N 318.269 5.145 30 10 DKEE N#Cc1ccc(Cl)cc1OCc1cc(Cl)cc(Cl)c1 1893166018 PDQMJZJVWWZCBP-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CC(C)CCC(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911717105 QRKAFUMYANDXQF-UHFFFAOYSA-N 317.429 5.052 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](N)c1ccc(Cl)cc1Cl 1920346918 LETSMHUSUGNHAN-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC12CCCCC2 1979316533 BACSXNUKGWBSDQ-LJQANCHMSA-N 320.477 5.030 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccsc1Br 2026020019 SWNBWNQZRGYZNF-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE CCCCCCC[C@@H](C)Nc1cnc(C)c(Br)c1 2031594896 SAYVGMWXJGUJSE-GFCCVEGCSA-N 313.283 5.313 30 10 DKEE C=C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CC1 2040409431 LWMAGMXSSQQKJR-UFBFGSQYSA-N 304.648 5.262 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](C)c1ccc(C)c(Br)c1 2043820026 DNPCVTACODYCRQ-ZIAGYGMSSA-N 310.279 5.153 30 10 DKEE C=CCC[C@H](C)n1c(S)nc2ccc(Cl)c(Cl)c21 2048237938 JKRNGUYRRXABDY-QMMMGPOBSA-N 301.242 5.159 30 10 DKEE C=C1CC[C@@H]2[C@]3(C)C[C@@H]3CC[C@]2(C)[C@@H]1CCC(C)=CC(=O)O 2069385987 PCLDEDSUWNZZDJ-YQXATGRUSA-N 302.458 5.206 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146763685 PLLRZJBPVBWOMX-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1ccc(SC(F)(F)F)cc1 2164141070 RGFVHUDIJLGODW-FZMZJTMJSA-N 303.393 5.161 30 10 DKEE N#Cc1cc(F)c(Nc2ccc3sccc3c2)cc1Cl 2177387242 IAOAPIZRULYSNJ-UHFFFAOYSA-N 302.761 5.309 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Cl)sc1Cl 2220086115 YSXKEILDOMJKIJ-UHFFFAOYSA-N 305.270 6.154 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1)c1cccc(Cl)c1Cl 2232424226 RIFKNLOOMGUXMM-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE Cc1scc(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)c1C 2234056500 JHHNARVGPMGUNO-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)sc1Cl 2256698467 BXWFMLQRINTLQK-NSHDSACASA-N 302.270 5.051 30 10 DKEE Cc1cc(NCC=CC#CC(C)(C)C)cc(C)c1Br 2268820813 CBUQPCPIBFVFHC-UHFFFAOYSA-N 320.274 5.084 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1ccccc1Br 2271835162 OZIKPGYLNVZMJT-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE CCCCCCCCC[C@@](C)(O)C(=O)c1csc(Cl)c1 2295600838 HRGYAKDXMXTUSF-MRXNPFEDSA-N 316.894 5.476 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1csc(Cl)c1 2295682245 OGFDGBKCZDUOIM-JKSUJKDBSA-N 317.926 5.293 30 10 DKEE C=CCCCCCOc1c(Cl)cc(C[C@@H](C)N)cc1Cl 2296286918 PZWAFKXYFAEPFA-GFCCVEGCSA-N 316.272 5.008 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(Sc2ccccc2)cc1 2296887183 CJVANMWRURUBSY-UHFFFAOYSA-N 316.425 5.734 30 10 DKEE C=CCC[C@@H](C)Oc1ccc(Br)cc1C(C)(C)C 2318532793 BNUWISWQGNIIER-GFCCVEGCSA-N 311.263 5.480 30 10 DKEE C#Cc1ccccc1N[C@H](CC)c1ccc(Cl)c(Cl)c1 2365451477 SPYBOBAYPFSJGQ-MRXNPFEDSA-N 304.220 5.538 30 10 DKEE N#CCc1ccc(NCc2cc(-c3cccs3)cs2)cc1 37301999 GZBDRAIKCYUVII-UHFFFAOYSA-N 310.447 5.155 30 10 DKEE CCCCCCCOc1cccc(NC(=O)CC2CCCC2)c1 100430305 AYMHTCPBLRAPPJ-UHFFFAOYSA-N 317.473 5.555 30 10 DKEE CCCCCCCCCCCC(=O)c1ccc(OCC)cc1 101473299 KWERBTLGZLXAMS-UHFFFAOYSA-N 304.474 6.189 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 109738868 GYTQRKBWJMHYPE-HNNXBMFYSA-N 316.316 5.875 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccc(Cl)s1 122657835 LOMXNLBTYFPRSX-CYBMUJFWSA-N 302.915 5.437 30 10 DKEE CCCCCCCCOc1cccc(Cl)c1CNCCC 135287342 KJLIBIGQAFNKOL-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H]1CSc2ccccc21 143443831 YUKRSOBFNLGKCA-ROUUACIJSA-N 305.531 5.734 30 10 DKEE CCCCCCCC[C@@H](O)c1csc(Br)c1 159142053 VDRXWCGGYKIICG-GFCCVEGCSA-N 305.281 5.295 30 10 DKEE CCCCCCC[C@@H](Cc1cc(Cl)ccc1OC)NCC 161998883 XMLUBRSDPACURH-KRWDZBQOSA-N 311.897 5.230 30 10 DKEE CCCCCCCC(=O)Cc1cc(F)cc(Br)c1 168881115 XVSVLEHBCPDYNR-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE Cc1ccc(Oc2ccc(C#N)cc2Br)c(Cl)c1 213872946 XZCDSEIFFJEGSJ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(Cl)c(F)c1 215111260 JBOCGDJGDQVENT-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(Cl)ccc1Cl 229274170 GKSYZLMTNQEQME-QGZVFWFLSA-N 317.300 6.558 30 10 DKEE N#Cc1ccc(NCC2CCCCCCC2)c(Br)c1 311276737 ITLPHZRCQMCEKH-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 383269083 FPJHOQPQEPIWLM-GFCCVEGCSA-N 312.240 5.242 30 10 DKEE CC(C)(C)OC(=O)N(c1ccccc1)C1(C#N)CCCCCC1 710693660 FRRCPPXNVMLRSD-UHFFFAOYSA-N 314.429 5.045 30 10 DKEE CCCOc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)cc1 1874584072 VHMMADMVZNANAZ-WEVVVXLNSA-N 318.775 5.164 30 10 DKEE N#CC1(CNc2ccc(Cl)c(Cl)c2F)CCCCC1 1893166207 RGFQNNCVUSNSQA-UHFFFAOYSA-N 301.192 5.018 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CCC)C(C)C 1922072651 WSOKTHPVLQXJDW-NHCUHLMSSA-N 317.517 5.200 30 10 DKEE CCC(CC)C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1926161480 JDFUCUNQWFUTQW-KRWDZBQOSA-N 322.493 5.275 30 10 DKEE CCCCCCCC[C@@]1(N)CC(C)(C)[C@@H]1OCc1ccccc1 1939545882 OWDJLSPSCOEBSJ-PZJWPPBQSA-N 317.517 5.450 30 10 DKEE C=CCCC[C@@H](NCCC)c1scc(C)c1Br 1950857615 ASMMEYLRVDZQML-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE C=CCC[C@H](C)C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1975934373 CIIGKTSGMCFQOT-AWEZNQCLSA-N 317.429 5.127 30 10 DKEE C=CC1(CN[C@@H](C)c2ccc(OCc3ccccc3)cc2)CCC1 2002611335 RVVKAZFMRURHDB-SFHVURJKSA-N 321.464 5.273 30 10 DKEE CCn1c(C)c(C=N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc21 2040464840 HWTLFJFPPLEFEW-PCODUJHASA-N 308.469 5.213 30 10 DKEE N#Cc1ccc(OCc2cc(Cl)sc2Cl)cc1Cl 2074833192 RUPXYUBTMDIYDC-UHFFFAOYSA-N 318.612 5.159 30 10 DKEE C=CC[C@@H](C)[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164169187 SHVPIRBUCMUJGJ-SJKOYZFVSA-N 305.874 5.541 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc(C)c(Cl)s1 2164487726 PHZQKZPGSOIYJX-OAHLLOKOSA-N 315.954 6.501 30 10 DKEE C=CC1(C[C@H](NCCC)c2ncc(Cl)cc2Cl)CCC1 2168024250 SPWZXLGRFBUCCT-AWEZNQCLSA-N 313.272 5.176 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H]1CC[C@H](SCC)C1 2171100329 UECXHLVGAPMLND-CVEARBPZSA-N 317.608 5.109 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(F)c(F)cc1Cl 2179679232 GJIOVDHZENLNEJ-INIZCTEOSA-N 301.808 5.405 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cc(Cl)cc(C(F)(F)F)c1 2200837422 JNYZOUBRDKQWTA-CYBMUJFWSA-N 309.734 5.273 30 10 DKEE NC1(CC#Cc2cc(Cl)cc(Cl)c2Cl)CCCCC1 2227316532 PEFNKEQQGJPOJX-UHFFFAOYSA-N 316.659 5.050 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1c(Cl)cccc1Cl 2235520467 ZTESBXFESBSVFM-AWEZNQCLSA-N 314.300 5.780 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(Br)c(F)c1C 2259231616 MNNIJMNEQWBQLW-AWEZNQCLSA-N 314.242 5.033 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(Cl)c(OC)cc1Cl 2281533788 OAJQJORPQOGGCW-HNNXBMFYSA-N 316.272 5.399 30 10 DKEE C=CCCCCCCC[C@H](OCCN)c1ccc(Cl)s1 2292646261 UQLXCNGCSGQMPD-AWEZNQCLSA-N 315.910 5.335 30 10 DKEE C=C(Cl)CC1(OCCN)CCCCCCCCCCC1 2294081874 YOJIOXZRESTGNV-UHFFFAOYSA-N 301.902 5.148 30 10 DKEE CCCN[C@H](C#Cc1ccccc1Cl)c1ccc(Cl)s1 2295205503 VJCWGPONHWYEPW-CQSZACIVSA-N 324.276 5.147 30 10 DKEE C=CC[C@@H](C)[C@@H](CCCc1cc(Cl)cc(Cl)c1)NC 2344343016 BQDPHQVWNBVDOG-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CSc1cc(Oc2cc(Cl)ccc2Cl)ccc1C#N 2353824409 LDZHPQTZWUVGKW-UHFFFAOYSA-N 310.205 5.379 30 10 DKEE CCCN[C@H](C#Cc1cccs1)c1c(Cl)cccc1Cl 2363536461 FWQZWOGXRLSKLY-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE C=CCC(C)(C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2370486352 JGBJRNHLVLOACF-INIZCTEOSA-N 314.300 5.506 30 10 DKEE O=C1/C(=C\c2ccccc2)Cc2ccccc2/C1=C\c1ccccc1 33349865 VJMUZPOKSLRNSH-OZCMVHISSA-N 322.407 5.436 30 10 DKEE C[C@@H](Nc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1 35134993 KMOWRVCOQLUTFN-SECBINFHSA-N 309.171 5.177 30 10 DKEE Cc1ccc(Sc2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 36805633 WVDFCNGXLQLCDL-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CCCCC1CCC(c2nc3cc(C)c(C)cc3n2CC#N)CC1 57802099 DRBFAPHBOYMHSV-UHFFFAOYSA-N 323.484 5.641 30 10 DKEE Cc1ccc(N/N=C/c2ccccc2OCC(C)C)cc1Cl 82252969 JEEAVDIIOXZAAK-RGVLZGJSSA-N 316.832 5.129 30 10 DKEE Cc1cc(Cl)ccc1OCCCCCCCCCS 97799675 BTQFZEXEUOIBSB-UHFFFAOYSA-N 300.895 5.688 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(Br)o1 124967280 KWSXANSPGJDIKD-GFCCVEGCSA-N 302.256 5.183 30 10 DKEE CCSc1cccc(Nc2cc(Cl)ccc2C)c1C#N 136616635 DTSGXEBNFUIZRI-UHFFFAOYSA-N 302.830 5.376 30 10 DKEE N#Cc1ccc(CNc2c(Cl)cccc2Cl)c(Cl)c1 162748024 KONKQRAUOQQTGG-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1cc(Cl)sc1Cl 387574704 KOELQTXJRPJSGD-CYBMUJFWSA-N 322.301 5.078 30 10 DKEE C=CCCCCCNCCc1cccc(OCc2ccccc2)c1 393828063 IOOZOCRXDCFQMB-UHFFFAOYSA-N 323.480 5.144 30 10 DKEE CC[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698849089 BTCCJFFJKYHNRB-IUODEOHRSA-N 322.836 5.020 30 10 DKEE CCCCCCCCN(C)c1ccc(C#N)c(Br)c1 1887067802 GXHKMJNIBZOLMM-UHFFFAOYSA-N 323.278 5.117 30 10 DKEE CC[C@H](CS)CN(Cc1ccccc1)CC1CCCCC1 1931882653 WIVQJTBZJHROPN-KRWDZBQOSA-N 305.531 5.025 30 10 DKEE C=CCCCCNc1c(Cl)cc(Br)cc1Cl 1984512869 YDJHUBQQKMXHQZ-UHFFFAOYSA-N 323.061 5.524 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccsc1Br 1996479363 WHZWRSBHCUYRGB-DGCLKSJQSA-N 316.308 5.154 30 10 DKEE C=CCC[C@H](C)C(=O)c1cc(Cl)c(C)c(Br)c1 2002251237 PGJCAYZQQLDPGQ-VIFPVBQESA-N 315.638 5.196 30 10 DKEE C=CC1(NCc2cccc(OCc3ccccc3)c2)CCCCC1 2008711698 WYAGJAWVZOGQPJ-UHFFFAOYSA-N 321.464 5.244 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1scc(Cl)c1Cl 2040534777 UZBPVCFTAMRTMM-GXFFZTMASA-N 306.302 5.698 30 10 DKEE Cc1c(Br)cccc1C(=O)C1=CCC(C)(C)CC1 2061175346 YOKQNUKCXZMDFY-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C=C([C@@H](Cc1c(Cl)cccc1Cl)NCCC)C(C)(C)C 2152943390 OFYHOSJIFUSDPY-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)C1 2168546624 ARJMDQQASNEVQN-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE C[C@@H](C[C@@H](C)C(F)F)N(C)CCCCCCCCCS 2177892466 HUAXGJWGTPHVLU-CABCVRRESA-N 309.510 5.259 30 10 DKEE CC1(C)OCCC[C@@]1(C#N)CCc1cc(Cl)cc(Cl)c1 2186990766 PFKGFUQPFKXCCH-INIZCTEOSA-N 312.240 5.025 30 10 DKEE C=C(C)CCCC[C@@H](N)c1sc(Br)c(C)c1C 2250165920 BWISFAVKDKQMFY-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE C=CCCCCCCCOc1cc(Br)cnc1C 2254055286 ZXYDPKBTFQJFPT-UHFFFAOYSA-N 312.251 5.058 30 10 DKEE C=CCCCCNCc1cc(Br)cc(C(C)C)c1 2254753431 ZCLFFRFVHRPSMW-UHFFFAOYSA-N 310.279 5.018 30 10 DKEE C=CCCCSC[C@H](NCC)c1cc(Cl)ccc1Cl 2271495671 PBPCXQDGHUUPST-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE CCCCCCCCCCC(=O)c1csc(Cl)c1OC 2284314850 PRFDRXXNEGBEPK-UHFFFAOYSA-N 316.894 6.124 30 10 DKEE C=CCCCCCCCSc1nc(Cl)ccc1[N+](=O)[O-] 2287065933 SJBIKPZZMNJGNI-UHFFFAOYSA-N 314.838 5.262 30 10 DKEE C=CCC[C@H](C)[C@H](OCCCN)c1ccc(Cl)c(Cl)c1 2294229681 BSUNZNLROZVHDV-LRDDRELGSA-N 316.272 5.002 30 10 DKEE CCCCCCCCC[C@@H](C)NCCCSC(C)(C)C 2295669061 PWMGPLOYPSXGAO-QGZVFWFLSA-N 301.584 6.027 30 10 DKEE CCCC[C@@H](CC)CSc1cccc(SCC)c1C#N 2295766172 KSMWSVNYLUBRMT-CQSZACIVSA-N 307.528 5.979 30 10 DKEE CC(C)(C)c1ccc(O)c(N=CC=Cc2cccc([N+](=O)[O-])c2)c1 2297315899 KXPIBGVOQIDPKZ-UHFFFAOYSA-N 324.380 5.014 30 10 DKEE C=CCC(CC=C)Sc1c(Cl)cccc1C[C@H](N)CC 2360208432 OPVRDYMWWKPTDL-CQSZACIVSA-N 309.906 5.233 30 10 DKEE CC[C@@H]1CC[C@@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2C)C1 2366101584 VSFMQLUVTICTMF-HFBAOOFYSA-N 312.240 5.055 30 10 DKEE C[C@@H]1CCCC[C@@]1(C=O)CCCc1cc(Cl)cc(Cl)c1 2366848136 IWZYHSFEJDBVPH-DYVFJYSZSA-N 313.268 5.712 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154787 ZIOPNUPGIAUIAI-JJRVBVJISA-N 321.917 6.177 30 10 DKEE C[C@H](N[C@H]1CCCCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 54823841 UOHSKFPKPXURTI-OZVIIMIRSA-N 311.256 5.116 30 10 DKEE N#C[C@H](CCCOc1ccccc1)c1cccc2ccccc12 57686195 OGDJORLOXGAGNB-SFHVURJKSA-N 301.389 5.306 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCCC1)c1ccc(Cl)cc1Cl 86580085 DYSZZPJWYIZSKJ-OAHLLOKOSA-N 324.251 5.530 30 10 DKEE Cc1cc(Cl)cc(C)c1OC[C@@H](CS)c1ccccc1 94583464 RZWASUAIGJLFJH-HNNXBMFYSA-N 306.858 5.049 30 10 DKEE CCCCCCC[C@@](C)(NCCC)c1nc(CC)c(C)s1 109690108 ANNZBSHUPWXKQF-GOSISDBHSA-N 310.551 5.589 30 10 DKEE CCCCCCCCCCCCN[C@@H](CC)c1cccs1 110166707 PVGLGVLMIMEIKS-SFHVURJKSA-N 309.563 6.710 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)sc1Cl 115062780 RPGZGRPXENTUGG-LBPRGKRZSA-N 308.318 6.066 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(Cl)cc1Cl 115062908 LBKGXQXXYOEPGG-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE CCC[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 126234975 UDLSZGYDJMJWSV-MRXNPFEDSA-N 302.780 5.304 30 10 DKEE CCCCCCCCC[C@H](N)c1cc2ccc(F)cc2s1 157897015 FDAVRDBTFZSQSH-INIZCTEOSA-N 307.478 6.181 30 10 DKEE CCSc1cccc(N[C@H](C)c2ccc(Cl)cc2)c1C#N 167583171 LUYLTYNPNDLYDA-GFCCVEGCSA-N 316.857 5.497 30 10 DKEE O=C(C1=CCCCCC1)c1cc2cccc(Br)c2o1 232471230 UGJLXEASJSCIDU-UHFFFAOYSA-N 319.198 5.269 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1CCCSC1 380043128 NZJNCTWRNAXMCI-ROUUACIJSA-N 300.552 5.802 30 10 DKEE CC(C)(C)[C@H](C#N)CNc1c(Cl)cc(Cl)cc1Cl 397504006 CNFOLSWIKUACNG-MRVPVSSYSA-N 305.636 5.245 30 10 DKEE C=C(C)CCC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 405760370 GKDACTLNJWNUJG-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE CCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698377378 BJZZDKJYJKWWOP-LJQANCHMSA-N 322.493 5.419 30 10 DKEE CC[C@@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698876635 UHZNPJZIIXBNJH-BEFAXECRSA-N 322.493 5.275 30 10 DKEE CCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698913222 ZENPYKRYUHKPRO-QGZVFWFLSA-N 322.493 5.419 30 10 DKEE CCCCCCCCCC[C@]1(N)CCN(Cc2ccccc2)C1 705194664 VHNPUDQCRJRYAT-NRFANRHFSA-N 316.533 5.121 30 10 DKEE Cc1cc(NCc2ccc(C#N)cc2Cl)cc(C)c1Cl 709850455 YLYOKKAWVKVGHX-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C#CCCCCC[C@@H](NCC)c1csc(C(F)(F)F)c1 718681576 MLIYQJUGQISMGD-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=C1CCC(CNc2cccc(Cl)c2Br)CC1 724553181 GINLTLAIOCYXRZ-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(OCc2ccccc2)cc1 1903161770 SIDQUWPHLGTTRM-LEWJYISDSA-N 309.453 5.258 30 10 DKEE CCCCCCCCCOC[C@H](NCc1ccccc1)C(C)C 1915167354 NVHKSTIKQSAHMC-NRFANRHFSA-N 319.533 5.568 30 10 DKEE CC(C)(C)N(Cc1ccccc1)C[C@@H](CS)c1ccccc1 1932005057 IACXCQABRQMQCP-IBGZPJMESA-N 313.510 5.001 30 10 DKEE CC(C)[C@H](CS)CN(Cc1ccccc1)C1CCCCC1 1932028361 CDAWSMLOODNLGA-SFHVURJKSA-N 305.531 5.023 30 10 DKEE C=CCN(CCOc1ccc(C(C)(C)C)cc1)Cc1ccccc1 2019212023 XAIFLNYEPUYCMO-UHFFFAOYSA-N 323.480 5.051 30 10 DKEE C=C([C@@H](NCC)c1ccc(C)c(Br)c1)C(C)(C)C 2035433319 BYUCTYBTLMSQSR-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCNc1cc(Cl)c(Cl)cc1Cl 2085848502 AGRSTMVVFKGFKH-UHFFFAOYSA-N 306.664 6.195 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)s1 2098751858 LERHZTIWMLCRHU-CYBMUJFWSA-N 322.345 6.586 30 10 DKEE C=C(C)CC[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2139130129 BCBCSDFPWUYSRM-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C=CCCCCCC[C@@H](Cc1cccc(Br)c1)NC 2141914827 VRAMQUJNDPYNDX-KRWDZBQOSA-N 324.306 5.106 30 10 DKEE CCCCCCCCC[C@H](O)c1csc(C(F)(F)F)n1 2144134313 KSEJWMTYNGLILT-LBPRGKRZSA-N 309.397 5.336 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H](O)c1ccc(Cl)s1 2148593198 XVGMSPUJSINFAO-XJKSGUPXSA-N 317.926 5.293 30 10 DKEE C=CCC[C@H](C)[C@H](CSc1cccc(Cl)c1)NCCC 2158319746 GEWTWHBBXNBACF-YOEHRIQHSA-N 311.922 5.403 30 10 DKEE C#CCCCC[C@H](Cc1c(Cl)cccc1Cl)NCCC 2173489916 GUPYVUFECYXQFU-CQSZACIVSA-N 312.284 5.098 30 10 DKEE CCCN[C@@H](CC#C[Si](C)(C)C)c1cc2cscc2s1 2187480426 JCPYBINYGFGZKG-AWEZNQCLSA-N 321.587 5.274 30 10 DKEE CCCCCCCCN(C)CCCCCCCCCS 2196703525 FEWOFWFVSXERMP-UHFFFAOYSA-N 301.584 5.939 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1c(Cl)cncc1Cl 2203809120 CPZGSNODTLCSGE-OAHLLOKOSA-N 313.272 5.013 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1Cl 2227300193 FHICVADDLHROTD-AWEZNQCLSA-N 322.707 6.397 30 10 DKEE C=CCC[C@H](C)Nc1cc(Cl)c(Br)cc1Cl 2246034507 KRNMKLUVBNTPJT-QMMMGPOBSA-N 323.061 5.523 30 10 DKEE CC(C)=CCC[C@H](C)CCOCCCB1OC(C)(C)C(C)(C)O1 2248919047 GNBCILLETAAJCX-KRWDZBQOSA-N 324.314 5.258 30 10 DKEE CC(C)(C)C#CC=CCc1cccc(Cl)c1Br 2250324411 HDEGMEOFNOLGTF-UHFFFAOYSA-N 311.650 5.251 30 10 DKEE C=C[C@@H](C)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2260239964 GCMONOPHFYLEBG-ZJUUUORDSA-N 306.664 5.510 30 10 DKEE FC(F)(F)C1(CSCC2(CS)CCCCC2)CCC1 2274611580 JTJBSCUKGMSSTC-UHFFFAOYSA-N 312.466 5.333 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1csc(Cl)c1 2278243865 QJSDYUPKXNWEBL-CQSZACIVSA-N 301.927 6.020 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](NCC)c1cc(Cl)cs1 2290196029 VQNMPTVDWJGISZ-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C=CCCCCCC[C@@H](N)c1csc(C)c1Br 2303635581 DDLKDYSNIPGERF-CYBMUJFWSA-N 316.308 5.345 30 10 DKEE Cc1ccc(CON=C(c2ccc(C(C)(C)C)cc2)C2CC2)cc1 2330323184 WUAPGTSTEHDOKW-UHFFFAOYSA-N 321.464 5.623 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)Cc1ccc(Cl)c(Cl)c1C 2344465231 MQGJEFNPQOKDAL-GDBMZVCRSA-N 301.257 5.198 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2365804021 BNCXOHDAOTWXPF-CYBMUJFWSA-N 313.894 5.035 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1c(Cl)ccc(Cl)c1OC 2370540352 NENAEFOPXYICPT-CVEARBPZSA-N 316.272 5.255 30 10 DKEE N#Cc1ccc(N[C@H](c2ccco2)c2ccc(Cl)s2)cc1 37212155 JXPMOFYKIHAIHS-MRXNPFEDSA-N 314.797 5.068 30 10 DKEE N#Cc1ccc2ccccc2c1-c1c(C#N)ccc2ccccc12 38355476 PMGUUJLDTNSROF-UHFFFAOYSA-N 304.352 5.403 30 10 DKEE CC(C)Oc1ccc(C(=O)/C=C/c2cccs2)c(Cl)c1 83193924 SXMGXMADDKFJAV-SOFGYWHQSA-N 306.814 5.085 30 10 DKEE CC(C)(C)c1ccc(SCC2(CS)CCCCCC2)cc1 94588863 KOVSRZVBPCDNDO-UHFFFAOYSA-N 322.583 6.347 30 10 DKEE Cc1ccc(/C=C2\CCC/C(=C/c3ccc(Cl)cc3)C2=O)cc1 103313502 QOKNXIAPRMGJDX-QBSYBSNLSA-N 322.835 5.868 30 10 DKEE CCCCCCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 103959684 SAUAQLWOMJXSKE-UHFFFAOYSA-N 319.876 5.968 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1c(Cl)cc(Cl)cc1Cl 103999003 QYSQUCVPUYYKHN-ZANVPECISA-N 317.647 5.531 30 10 DKEE CCCCCC[C@](C)(C#N)Nc1ccccc1Br 110029014 OPRMGCQQHAUCHV-OAHLLOKOSA-N 309.251 5.114 30 10 DKEE N#Cc1ccc(Cl)c(N[C@@H]2CCc3sc(Cl)cc32)c1 129722311 RITDNCCIRQAFJV-LLVKDONJSA-N 309.221 5.026 30 10 DKEE N#C[C@@H](CNc1cc(Cl)c(F)c(Cl)c1)C1CCCCC1 397212589 YBRDLXKXBDWCNA-NSHDSACASA-N 315.219 5.264 30 10 DKEE CCCCCCCCNCCc1sccc1Br 713115012 DQAZHSQWFJPXOF-UHFFFAOYSA-N 318.324 5.003 30 10 DKEE C=CCOc1ccc(NC(=O)C2CCC(CCCC)CC2)cc1 1860150757 UMJPAFUQGIDHMQ-UHFFFAOYSA-N 315.457 5.187 30 10 DKEE C[C@H](N(Cc1ccccc1)CC1(CS)CCC1)C(C)(C)C 1931998063 GYUNRRODCGMOAV-INIZCTEOSA-N 305.531 5.023 30 10 DKEE C=CCC[C@H](C)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1936485290 YNLCPALKOQGIOC-LSDHHAIUSA-N 318.461 5.039 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(Br)sc1C 1946683264 QBGAGMGPGLPFRS-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCCCC[C@@H](NC)c1cscc1OCc1ccccc1 1975336325 XDPSMKRKOXUVAS-GOSISDBHSA-N 315.482 5.334 30 10 DKEE FC(F)c1cc(C(F)(F)F)cc(OC(F)(F)F)c1Cl 2054959867 QNMSTKXWZRWORM-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1Cl 2096547206 UYIJQXADEXSWOF-MLGOLLRUSA-N 300.273 5.779 30 10 DKEE C[C@@H]1C[C@](C=O)(CCc2cc(Cl)cc(Cl)c2)CCS1 2103460112 SUCCBWAEOYBYOY-ABAIWWIYSA-N 317.281 5.027 30 10 DKEE C=C([C@@H](N)c1ccc(-c2ccccc2Cl)s1)C(C)(C)C 2163999756 AWCFPWNYQUHEGN-MRXNPFEDSA-N 305.874 5.671 30 10 DKEE C=CC1(C[C@H](NCC)c2cscc2C(F)(F)F)CCC1 2168027527 FGUXOLQKMFRXLX-ZDUSSCGKSA-N 303.393 5.164 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1cc(F)c(F)cc1Cl 2184411122 QFVKVDKGGZOXIW-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE CCCC#CC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2203793587 WMIWZUHYGSERTE-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE C=CCCC(C)(C)Cn1c(S)nc2cc(Cl)c(C)cc21 2236859107 IIKBHUJHJUJYLM-UHFFFAOYSA-N 308.878 5.279 30 10 DKEE CCCCCCCC[C@](C)(O)c1c(Cl)ccc(F)c1F 2240622852 YRAPGMKWWVCHBG-INIZCTEOSA-N 304.808 5.576 30 10 DKEE C=C(C)CCCCNc1ccc(Br)c(Cl)c1F 2250161475 NLAUQOOEGDIIER-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE C=C(C)CCCC[C@](C)(O)c1cc(F)c(Cl)cc1Cl 2271837556 VKVQYRUKISKLDS-HNNXBMFYSA-N 305.220 5.477 30 10 DKEE CC[C@@](N)(CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2289899898 WHSSDPQYFBRJPB-QGZVFWFLSA-N 310.268 5.141 30 10 DKEE c1ccc(N=C2SC(=NC3CCCCC3)C3=C2CCCC3)cc1 2297565094 HGLGOPBWVAFTHU-UHFFFAOYSA-N 324.493 6.065 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc(Br)ccc1C 2338743531 GHXUSOUMLRNFQJ-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2364088615 FQWWAFYSLGJJKG-QGZVFWFLSA-N 312.284 5.803 30 10 DKEE O=C(/C=C/C=C\c1ccccc1)c1ccc2c3c(cccc13)CC2 6440799 SOZUVCTYJPAVKY-AGGGZFENSA-N 310.396 5.391 30 10 DKEE C=C(C)COc1ccccc1C(=O)Nc1cccc2ccccc12 9877397 MKHNERWDEVEFNR-UHFFFAOYSA-N 317.388 5.047 30 10 DKEE CCCCCCCC/C=C\CCCCCCCC(=O)N(C)C 43408922 GAXDEROCNMZYCS-QXMHVHEDSA-N 309.538 6.112 30 10 DKEE CCCCCCCNc1ccccc1SCC(F)(F)F 59434552 JNBKODMYAOLCNH-UHFFFAOYSA-N 305.409 5.723 30 10 DKEE CSc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc1 83192796 MYTMVCAHVHSOIT-AWNIVKPZSA-N 312.434 5.092 30 10 DKEE CCSc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1 83193121 QFSWDLVPZMPGHX-CSKARUKUSA-N 302.826 5.348 30 10 DKEE N#Cc1ccc(Sc2ccc(Cl)c(Cl)c2)c(Cl)c1 88304041 YTMYXAOXFJQOIJ-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CCCCCCCCCCC[C@H]1C[C@H]1CCCCC(=O)OC 100056082 RBKVUWMZDIQOTG-RBUKOAKNSA-N 310.522 6.277 30 10 DKEE CCCCCC[C@@](C)(C#N)Nc1ccccc1Br 110029011 OPRMGCQQHAUCHV-HNNXBMFYSA-N 309.251 5.114 30 10 DKEE CCCCCCCCC1(c2ccc(Br)cc2)CNC1 118674449 CFVRLEYNWPRBIN-UHFFFAOYSA-N 324.306 5.041 30 10 DKEE CCCCCCCCOc1ccc(OC)cc1Br 123571832 JMBDJBRZNYCOOV-UHFFFAOYSA-N 315.251 5.197 30 10 DKEE CCCCCCCCCCNc1nc(Br)cs1 124874152 FPGUUHDTJFLRMF-UHFFFAOYSA-N 319.312 5.458 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1cc(Cl)ccc1Cl 158913107 MGTWQEBIXJKTMJ-MRXNPFEDSA-N 300.273 5.116 30 10 DKEE Cc1ccc(C(=O)C2=CCCCCCC2)c(Br)c1 235853963 LAPGUBZLNKCHAZ-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE Cc1ccsc1C=Nc1ccccc1C(=O)c1ccccc1 254815796 DXSNQBGCIYLXEU-UHFFFAOYSA-N 305.402 5.038 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1cccc(SC(F)F)c1 690180762 QMVALZCVKQDKHG-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE C=CCCCCCNc1ccc(OC(F)(F)F)cc1Cl 699658517 BTEFFTHBNSLXMT-UHFFFAOYSA-N 307.743 5.397 30 10 DKEE CCCCCCCC[C@H](O)c1oc(C)cc1Br 706320634 AWUPXLZLYFGXQN-ZDUSSCGKSA-N 303.240 5.135 30 10 DKEE C=CCCC(C)(C)Cn1c(S)nc2cc(Cl)c(F)cc21 709423523 OXQSHDJARAZRPW-UHFFFAOYSA-N 312.841 5.110 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 712560892 AKSZGWNCTDWPBX-CQSZACIVSA-N 307.787 5.719 30 10 DKEE CCCCCCCCCNC1CC(OCc2ccccc2)C1 716254648 CLCMJTIGJMFXSU-UHFFFAOYSA-N 303.490 5.074 30 10 DKEE C=CCSc1nc(-c2ccc(CCCCCC)cc2)cs1 1860816687 KNZZETAQKQQAFF-UHFFFAOYSA-N 317.523 6.211 30 10 DKEE COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)c(F)c1 1874585153 ONSHCODCZCKREC-CSKARUKUSA-N 324.326 5.023 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H](C)CCCCNC(C)(C)C 1901760864 DITVISJEGLAGCA-IBGZPJMESA-N 316.533 5.012 30 10 DKEE C=CC[C@H](C)OC[C@H](NCCC)c1cc(Cl)ccc1Cl 1913342189 WCIMMIPUVVVWKG-LRDDRELGSA-N 316.272 5.015 30 10 DKEE C=CCCCCCCCC[C@@H](NC)[C@@H](C)OCc1ccccc1 1995325793 OWMNVMUJEVYIGN-TZIWHRDSSA-N 317.517 5.487 30 10 DKEE CCCC[C@](C)(C#N)[C@@H](O)c1cccc(OCc2ccccc2)c1 2000513571 LEZZDLQOSXPOBI-LEWJYISDSA-N 323.436 5.019 30 10 DKEE C#CCCC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045716497 QYQUKIUZZKPJGC-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE C=CCCCCCC[C@H](NC)c1snc(Cl)c1Cl 2085840186 VUOHYAQWPGFZTE-JTQLQIEISA-N 307.290 5.237 30 10 DKEE C=CCCC[C@H](N)c1ccc(-c2ccc(Br)cc2)o1 2107770648 LEDWEPDXRZYODW-AWEZNQCLSA-N 320.230 5.065 30 10 DKEE C=CCCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2107826259 JXIPRKHLOMFJSL-CYBMUJFWSA-N 320.691 6.044 30 10 DKEE CC#CCC[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107937526 SBVUKCUNSWKHLU-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cccc(C)c2Br)C1 2125736039 QKZDHMXRPUIDRF-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cc(C(F)(F)F)cs2)C1 2161275682 YZAJKNRPCNNEIJ-SMDDNHRTSA-N 301.377 5.420 30 10 DKEE CCCC(CS)(CCC)CN1CCC[C@H]1c1cccs1 2169970491 OXHUNXIZFIRKDC-HNNXBMFYSA-N 311.560 5.401 30 10 DKEE C=CC[C@](C)(NCc1cc(-c2cccs2)cs1)C(F)F 2182196194 UPVAJHBNBXEGFL-HNNXBMFYSA-N 313.438 5.166 30 10 DKEE C=CCCCCCCCCC[C@@](C)(O)c1csc(Cl)c1 2207410744 RNFOLZMCPHGKKY-QGZVFWFLSA-N 314.922 6.306 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)Cc1ccccc1 2208928065 DTVFIVRLWHMNJO-UHFFFAOYSA-N 321.508 6.215 30 10 DKEE CC1(CC(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)CCCC1 2234057146 AJHOOSHJBSMANJ-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE FC(F)(F)[C@H]1CCCC[C@@H]1OCC1(CS)CCCCC1 2239958048 IHBFVFROEJCOCJ-STQMWFEESA-N 310.425 5.004 30 10 DKEE C=CCCCCC[C@H](N)c1sc(Br)c(C)c1C 2247230437 HSMZMCPARVQFGL-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE CSc1cccc(SC[C@H]2CCCCC2(F)F)c1C#N 2283213751 KVDADCSIHGBXKN-LLVKDONJSA-N 313.438 5.198 30 10 DKEE C=C(C)CCCC[C@@H](OCCCN)c1ccc(SC)s1 2292789757 AABIWZMIPHRMPF-CQSZACIVSA-N 313.532 5.013 30 10 DKEE CCc1ccc(C#N)c(Nc2cc(C)c(Cl)cc2Cl)c1 2294708303 CNKCFSWLOFXXKL-UHFFFAOYSA-N 305.208 5.480 30 10 DKEE C=CCC(CC=C)OCc1cccc(Br)c1Cl 2298832098 OLMVPBQVCTYKSQ-UHFFFAOYSA-N 315.638 5.140 30 10 DKEE O=C(C(=CO)N=Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 2333266728 ZJIRQSLZINBFRP-UHFFFAOYSA-N 321.163 5.359 30 10 DKEE C=C[C@@](C)(CCCc1cc(Cl)cc(Cl)c1)C(=O)OCC 2366824190 QCSGUJCLTNSSSW-INIZCTEOSA-N 315.240 5.072 30 10 DKEE N#C[C@@H](NC1CCCCCC1)c1cc(F)c(Cl)cc1Cl 2377419733 JYVJOZMLEAKJAJ-OAHLLOKOSA-N 315.219 5.010 30 10 DKEE COc1ccc(/N=C/c2cccc(Oc3ccccc3)c2)cc1 90547770 IISUXYKWFYYFDX-RCCKNPSSSA-N 303.361 5.238 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccc(Cl)cc1 95810856 SJRZOAKHWBAIBI-UHFFFAOYSA-N 323.908 5.877 30 10 DKEE N#Cc1ccc(Sc2cc(Cl)ccc2Cl)cc1Cl 104175925 FCISLJBXJIMHKI-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Br)cc1Cl 126911665 PNOVVSLCDDXLCF-AWEZNQCLSA-N 319.670 5.496 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc2c(s1)CCCC2 157947048 DSZAOBKBYFIRQH-QGZVFWFLSA-N 307.547 6.028 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc2ccccc2s1 159050119 MOLKPEYGWBNATD-QGZVFWFLSA-N 303.515 6.303 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1ccc(CC)s1 162325465 WHHULPZLSSUSCM-SFHVURJKSA-N 309.563 6.492 30 10 DKEE CCCCCCCCCOc1ccc(/C=N/NC)cc1Cl 169881441 UGIMJXDYOKAGLV-XSFVSMFZSA-N 310.869 5.023 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(C(C)(C)C)cc2)C1 222270432 RRTUDLPOEMPMOD-VKJFTORMSA-N 301.499 5.795 30 10 DKEE CSC(=CC(=O)c1ccc(C2CCCCC2)cc1)SC 228992716 OUSXZOOIFOQLIV-UHFFFAOYSA-N 306.496 5.484 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(C)c2)c1 242809968 FIXCEKVPZKCFMD-UHFFFAOYSA-N 308.425 5.085 30 10 DKEE CCC1CCC(C=O)(Cc2cc(Br)ccc2C)CC1 317370380 VVYAFMMFTZJFIL-UHFFFAOYSA-N 323.274 5.086 30 10 DKEE CCCCCCC[C@H](O)c1ccccc1NC(=O)OC(C)(C)C 697398115 DHWIRWOOEDXZDY-KRWDZBQOSA-N 321.461 5.428 30 10 DKEE C=CCCC(C)(C)CNc1ncc(C(F)(F)F)cc1Cl 707766986 IUHHXGZIXJUCNF-UHFFFAOYSA-N 306.759 5.158 30 10 DKEE N#CCCCCCn1ccc2c(OCc3ccccc3)cccc21 720854670 RPXKRYVGUYBGCT-UHFFFAOYSA-N 318.420 5.304 30 10 DKEE C=C1CCC(C[C@@H](NC)c2ccc(C)cc2Br)CC1 724549411 MVNQQXHPEHYYKB-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE C=C1CCC(CC(=O)c2cc(C)ccc2Br)CC1 724583287 MDVDUJPWLYGSDH-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C[C@H](Nc1ccc(Br)c(C#N)c1)C1(C)CCCCC1 2101391701 VZABPIIHIXHADF-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2102110156 DMQMPSRAUYOXIS-BLLLJJGKSA-N 300.273 5.636 30 10 DKEE C=CCCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2107826260 JXIPRKHLOMFJSL-ZDUSSCGKSA-N 320.691 6.044 30 10 DKEE C=CC1(CN[C@H](C)c2ccc(Cl)c(Cl)c2Cl)CCC1 2111697069 FLGLMZPJLADLSR-SNVBAGLBSA-N 318.675 5.654 30 10 DKEE CC[C@@H](C)[C@H]1CSC(=Nc2cc(Cl)c(C)cc2Cl)N1 2136526890 SHGZWFBLCPZPIR-AMIZOPFISA-N 317.285 5.040 30 10 DKEE CCCCCC#CC[C@@H](O)c1cc(C)c(Br)c(C)c1 2138954499 MIDJKSXHIIVAQR-MRXNPFEDSA-N 323.274 5.073 30 10 DKEE C=CCCCCCC[C@](C)(N)c1ccc(Cl)c(Cl)c1 2141913853 MBEOGPIGXZKPCS-INIZCTEOSA-N 300.273 5.694 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H](O)c1ccsc1Cl 2148576966 BBHLZYWSTOIOIF-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE C[C@@H]1C[C@H](Nc2ccc(C#N)cc2Cl)c2ccsc2S1 2152743179 HFOLWJSCBGQQJC-OTYXRUKQSA-N 320.870 5.311 30 10 DKEE CSc1ccccc1[C@@H](C)Nc1cc(Cl)ccc1C#N 2152744667 MSJOJZGNVYEEKC-LLVKDONJSA-N 302.830 5.107 30 10 DKEE C=C([C@@H](NCCC)c1cc(F)c(Cl)cc1F)C(C)(C)C 2152950136 GLMZVNFTWUOZEX-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE C=CC1(C[C@H](N)c2ccc(C(F)(F)F)c(Cl)c2)CCC1 2168024360 UEJHTPLTNMTBPH-ZDUSSCGKSA-N 303.755 5.105 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1scnc1Cl 2235523972 LEEWHJJJMATQNV-CQSZACIVSA-N 314.926 5.754 30 10 DKEE C=CC1(C[C@H](N)c2cc(Br)cc(C(C)C)c2)CCC1 2265959294 UTODJEZSJLONJV-INIZCTEOSA-N 322.290 5.319 30 10 DKEE C=C(C)CCCCNc1c(Cl)cc(Cl)c2nsnc12 2271790925 JLUNFAMHNBWRSQ-UHFFFAOYSA-N 316.257 5.156 30 10 DKEE Cc1cc2sc([C@@H](N)CC=CC#CC(C)(C)C)cc2s1 2284173193 GAVOPGYWBJQRSK-ZDUSSCGKSA-N 303.496 5.267 30 10 DKEE C=CCCCCC[C@H](OCCC(=O)O)c1ccc(Cl)s1 2291445389 LPFVYKFMYWJXAF-LBPRGKRZSA-N 316.850 5.070 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)C#Cc1ccccc1Cl 2295154705 BDDDDEIRLVFYCX-UHFFFAOYSA-N 323.606 5.190 30 10 DKEE CCCCCCCC[C@H](N)c1csc(C)c1Br 2303639269 XKAXPTCDSZWJME-ZDUSSCGKSA-N 318.324 5.569 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1c(C)sc(C)c1Br 2304055123 IIMCMQYEMUUSPM-AWEZNQCLSA-N 315.276 5.303 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)cc1 83204750 XWXZEPXWWSDPMP-VGOFMYFVSA-N 324.420 5.016 30 10 DKEE CCCCCCC[C@@](CC)(CCCC)[C@H](C#N)C(=O)OCC 100286122 WCNMOCUDNHOEHP-IEBWSBKVSA-N 309.494 5.636 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccc(Cl)s1 115062860 ZDMSNAXQQIPBNI-AWEZNQCLSA-N 301.927 6.193 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CS[C@@H](C)CC 115645826 GEEGHKFTLVJSQH-ZWKOTPCHSA-N 302.568 6.190 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(C(F)(F)F)ccc1F 125326357 KXMHPYZSUIHSPT-OAHLLOKOSA-N 305.359 5.595 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(Br)ccc1C 125647811 GVLVXIDPDVSPLH-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(C)cc1Br 158085890 OLBJQUYAHREOBH-MRXNPFEDSA-N 312.295 5.379 30 10 DKEE C=CCN(c1ccc([C@H](C)NCCC)cc1Cl)C(C)(C)C 162272666 CKQHJNCXVKHOFN-AWEZNQCLSA-N 308.897 5.192 30 10 DKEE CCCCCCCCCC[C@H](O)c1cnc2ccsc2c1 163613866 SSECKVDWRRWBSY-KRWDZBQOSA-N 305.487 5.861 30 10 DKEE Cc1cc(O/C=C\C(=O)c2ccc(Cl)cc2)cc(C)c1Cl 209910506 BOSPZSAOCIMJRH-FPLPWBNLSA-N 321.203 5.386 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)c2cccc(Cl)c2)C1 222807355 VRGWNYUDHWRVFQ-MMNPAVHPSA-N 304.865 5.051 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Cl)ccc1Br 236043143 ZPFPQAORLJCNRW-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE Cc1ccccc1N=Cc1c(O)ccc2oc3c(c12)CCCC3 254812743 VWDAXXBLQALHQL-UHFFFAOYSA-N 305.377 5.076 30 10 DKEE CSc1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 254816278 DYNQVZAMMWAOMJ-UHFFFAOYSA-N 318.445 5.903 30 10 DKEE CCCCCCCCC[C@H](COCc1ccccc1)NCC 395593167 QPLDOTJYMWSAGY-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3onc(C)c3C)ccc21 575329297 WEPHTBXAUMLMBQ-UHFFFAOYSA-N 317.392 5.170 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 715723629 SUNVUVIYIVEYRW-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C=C1CCC(C[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 724571382 PMOMIBJQYLSGOX-QFIPXVFZSA-N 322.448 5.436 30 10 DKEE CCN(CC)c1ccc(C#Cc2ccc(Cl)cc2Cl)cc1 1614826301 LFMPNCBQTPIKSS-UHFFFAOYSA-N 318.247 5.239 30 10 DKEE C=CC[C@H](C)OC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 1913341607 PBRNDUFPJRFXLH-LRDDRELGSA-N 316.272 5.015 30 10 DKEE CCCCCCC[C@@](C)(O)c1sccc1Br 1919894115 WYBHUWUJFQGEIZ-CYBMUJFWSA-N 305.281 5.079 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ccc(Cl)cc1F 1919962107 JIHNPONFMRRNGU-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1ccccc1OCc1ccccc1 1975928654 QPMHNTMRXYMMEL-DYESRHJHSA-N 309.453 5.128 30 10 DKEE C[C@H](COCc1ccccc1)C[C@@]1(C=O)CCCCC12CCC2 1981858345 VUOHVLGDGTWPAM-GHTZIAJQSA-N 314.469 5.159 30 10 DKEE C=CCCCCCC[C@@H](O)c1sccc1Br 1995205096 NWVPHJQNIMBLGV-GFCCVEGCSA-N 303.265 5.071 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCC[C@@H](C)C1 2027195717 SSKOXANESDSTTD-WBMJQRKESA-N 306.247 5.020 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)c(Cl)s1 2038532167 BOPJYQPTTXOVDD-UHFFFAOYSA-N 307.286 6.378 30 10 DKEE C=CC[C@H](NC)c1ccc(-c2cccc(Br)c2)s1 2045748745 TTYSXXYXEGJKAV-ZDUSSCGKSA-N 322.271 5.014 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1cc(Cl)c(Cl)s1 2045992565 MBVMQDABQOZCFN-DGCLKSJQSA-N 306.258 5.198 30 10 DKEE FC(F)c1c(OC(F)(F)F)cccc1SC(F)(F)F 2081027217 LBXZHLBTTAWSHA-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE C=C([C@H](NCC)c1cc2sc(C)cc2s1)C(F)(F)F 2100321768 DEGDTEUJVYWBRR-LBPRGKRZSA-N 305.390 5.040 30 10 DKEE CCCCCCCCCCC(=O)c1cc(C)c(Cl)s1 2108234911 SLUIJGQTHLHSGX-UHFFFAOYSA-N 300.895 6.423 30 10 DKEE C=C1CCC(CC[C@H](NC)c2ccc(Br)cc2)CC1 2113415570 UEEZUHASFHERTK-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE CCCCCC(C)(C)CN=C1N[C@H](c2ccsc2)CS1 2175632355 UFIMKLVJYZEHTR-AWEZNQCLSA-N 310.532 5.088 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(Cl)cc(Cl)c2)CC1 2197918459 SPIBPTWZQRRACP-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE C=CCCCCCCCC[C@@]1(O)CC[C@@H](P(C)(C)=O)C1 2207441963 MNQCOTATZUDMMO-IAGOWNOFSA-N 300.423 5.200 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1ccccc1Br 2227290020 YEIPSXFLXOXDAN-MRXNPFEDSA-N 324.306 5.236 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234059328 INRKSRIQQFCGJU-MFKMUULPSA-N 312.240 5.242 30 10 DKEE Cc1csc(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)c1C 2234256137 OOTLSRCGMCVFTB-ZDUSSCGKSA-N 324.232 5.162 30 10 DKEE CCCCCCCCCCCCCCO[C@@H](C)C(N)=S 2239550541 WEQFLIPHSIEOHF-INIZCTEOSA-N 301.540 5.379 30 10 DKEE CCCc1ccc(C#C[C@H](N)c2cc(Cl)c(Cl)s2)cc1 2239605240 VQKOCGSCJUBJQH-AWEZNQCLSA-N 324.276 5.059 30 10 DKEE CCCCCCCC[C@H](C)N[C@H](C)C(F)(F)C(F)(F)F 2240639554 GTIFTBCCJCTFEI-NWDGAFQWSA-N 303.359 5.301 30 10 DKEE C=CC[C@@H](C)[C@H](NC)c1cc(Br)cc(C(C)C)c1 2254725250 AEWJSPLYMAMABR-WBMJQRKESA-N 310.279 5.045 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2264376269 CNWRPJCYOPICEK-INIZCTEOSA-N 302.289 5.923 30 10 DKEE C=C(C)CCCC[C@@H](CSc1cccc(Cl)c1)NCC 2287465955 DDUGUWIGWSKXFC-INIZCTEOSA-N 311.922 5.547 30 10 DKEE CCCCCCCCC[C@](C)(N)c1sc(Cl)cc1OC 2295735786 FNKXUKMBHDKUEI-INIZCTEOSA-N 317.926 5.725 30 10 DKEE Cc1ccc(C)c(C(=O)C=CNc2ccc(C(F)(F)F)cc2)c1 2296876421 SYXQHQDXFUFLTH-UHFFFAOYSA-N 319.326 5.131 30 10 DKEE CC1(C)CC(CS)(COc2cc(Cl)ccc2Cl)C1 2321721931 CQUWQNJXVJJPLR-UHFFFAOYSA-N 305.270 5.108 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1cccc(Br)c1 2344395170 ICNQLQHFEILQSI-SJORKVTESA-N 324.306 5.482 30 10 DKEE N#Cc1cccc(CSCc2ccc(Cl)cc2Cl)c1 58238513 RLDXADPYXUHVPJ-UHFFFAOYSA-N 308.233 5.298 30 10 DKEE CCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1 100305459 YYUJARAVFTZOLY-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE CC[C@H](C[C@H]1O[C@H]1C)c1ccc(OCc2ccccc2)cc1C 107616955 PQSHHHWWCMIZBG-YRISNDGFSA-N 310.437 5.245 30 10 DKEE CCCCCCCCCNc1ccc(Br)cc1C 110155102 OHKPJOCQAOOYGJ-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE N#Cc1ccc(Sc2ccc(Br)cc2)c(Cl)c1 110354210 LDJOGTWLVHMEFA-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCC(=O)c1cc(Br)ccc1C 164751064 SVKGSKFNTZOJOJ-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CCCCCCCCCCCCN(CCO)Cc1ccccc1 165196792 HHHIHQMVUAVFCL-UHFFFAOYSA-N 319.533 5.402 30 10 DKEE CCCCCCCCN(C)c1ccc(/C=C/c2ccncc2)cc1 205098493 MEGWWMRAIVDBFD-MDZDMXLPSA-N 322.496 6.049 30 10 DKEE CCCc1ccc(Oc2cc(Br)cc(C#N)c2)cc1 227635755 UPQXSLIVYVJCAD-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE CCCCCCCCCCC[C@H](Cc1cncs1)NCC 229228615 HXXGMWKWVCCZDV-QGZVFWFLSA-N 310.551 5.585 30 10 DKEE CCCCCCCC(=O)c1cccc(Br)c1F 232937640 FVQYSXVQWKYSGV-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE O=C(/C=C/Nc1ccc(N=Nc2ccccc2)cc1)C(F)(F)F 254764867 PWSSUNFQLORDDQ-XANDGPPWSA-N 319.286 5.159 30 10 DKEE C=CCCCCCCN[C@H](C)c1c(Cl)ccc(F)c1Cl 383692462 YUZPYVHFSOXERY-GFCCVEGCSA-N 318.263 5.920 30 10 DKEE CCCCCCCCCc1cc2c(C)cc(O)nc2cc1N 586032637 LZYUNHRNZORXST-UHFFFAOYSA-N 300.446 5.124 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)(Cc2coc(Br)c2)C1 688340790 DNOIOUZNMYHABG-UHFFFAOYSA-N 324.262 5.331 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cc(Cl)cc(Cl)c1F 704006501 KNPFIRAQTVVEPS-NSHDSACASA-N 318.263 5.776 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)Sc1ccc(Br)cc1 704940262 ICWNPXHNCAEACT-BYCMXARLSA-N 324.287 5.260 30 10 DKEE CCCCCCCCN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 718095363 ZHMNWJHIIYRCJO-UXHICEINSA-N 317.517 5.320 30 10 DKEE CCCCCCCC[C@@H](Cc1scnc1Cl)NCC 722024576 RCSAPUBEPOMMPJ-ZDUSSCGKSA-N 302.915 5.068 30 10 DKEE Cc1c(OCCC(C)C)ccc2c1O/C(=C\c1ccccc1)C2=O 1871411056 FSRCLYWFPYPDAJ-UYRXBGFRSA-N 322.404 5.036 30 10 DKEE CCCCCCC[S@@](=N)(=O)c1cc(Cl)cc(Cl)c1 1917917192 LLEMDMXFCHCQOQ-GOSISDBHSA-N 308.274 5.369 30 10 DKEE C=CCCCC[C@@H](N)c1cc(Cl)c(C)c(Br)c1 2009484139 ITPDYOIOMVODPX-CQSZACIVSA-N 316.670 5.157 30 10 DKEE C#CCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2045653668 YQDGUQFHAQFFEU-LBPRGKRZSA-N 304.648 5.230 30 10 DKEE Cc1cc(C(=O)C2=CCC(C)(C)CC2)ccc1Br 2061175262 XUKGLGHWURQERP-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2102477467 PMVNQEFISKRWRE-GDBMZVCRSA-N 322.290 5.073 30 10 DKEE CCCCCCCCCC[C@@H](N)c1snc(Cl)c1Cl 2110898359 IZJFVUUVUSUGKA-LLVKDONJSA-N 323.333 5.981 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc(Cl)c(Cl)s2)CC1 2125179412 AZXNJGHWSIHJDH-JTQLQIEISA-N 317.281 6.010 30 10 DKEE CCCN[C@@H](CC#C[Si](C)(C)C)c1cc(Cl)sc1C 2130929045 AHWQWIPZIQZUDT-AWEZNQCLSA-N 313.970 5.022 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1snc(Cl)c1Cl 2142434856 LRPCABAVDUIKCG-LLVKDONJSA-N 322.301 5.790 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H](O)c1sccc1Cl 2148591162 WSHCZQJBFPFNTH-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1cc(Cl)cs1 2158606307 DWJBOJZFJBMXEP-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CCCC[C@@](C#N)(CC)c1ncc(C(F)(F)F)cc1Cl 2164479199 ZVRVBLVKNQEDPA-CYBMUJFWSA-N 304.743 5.115 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H]1CC[C@H](SCC)C1 2171100330 UECXHLVGAPMLND-HOTGVXAUSA-N 317.608 5.109 30 10 DKEE CC[C@@](C#N)(C(C)C)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 2184378253 KCPHEYZNVICLKU-HZPDHXFCSA-N 314.256 5.167 30 10 DKEE CCCCCC#CC[C@H](NCCC)c1cc(C)c(Cl)s1 2203811423 WKRFDAREMQXJSL-HNNXBMFYSA-N 311.922 5.724 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1ccc(-c2cccs2)s1 2205863272 FHANAIFBRXRYAQ-KBPBESRZSA-N 303.496 5.484 30 10 DKEE N#Cc1cc(Br)cc(SCCCCCC2CC2)c1 2220022585 JWXOMYIKEBXSMR-UHFFFAOYSA-N 324.287 5.383 30 10 DKEE CCCCCCCCCOCC(=O)c1ccc(Cl)s1 2231061484 ARHVMRYCEYXJMS-UHFFFAOYSA-N 302.867 5.351 30 10 DKEE C[C@H](CC(C)(C)C#N)Sc1ccc(OC(F)(F)F)cc1 2235920222 WCBXKKWJZLYOKH-SNVBAGLBSA-N 303.349 5.006 30 10 DKEE C=C(C)CCCC[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 2271773467 USVXNWXJGZYCSY-OAHLLOKOSA-N 304.236 5.443 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Cl)c(Cl)cc1C 2286463727 ZCKJKHGEKXMKID-KRWDZBQOSA-N 315.284 6.252 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cnc(C(C)(F)F)s1 2289323989 SWGUPBXQGLBLEV-CQSZACIVSA-N 305.434 5.213 30 10 DKEE CC#CCCC[C@H](NCCC)c1ccc(C(F)(F)F)s1 2295258780 ONPFLFSVNVJIPJ-LBPRGKRZSA-N 303.393 5.001 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1c(C)sc(C)c1Br 2304127612 HTHLKVIXUZRLNL-UONOGXRCSA-N 317.292 5.153 30 10 DKEE C=CCCC[C@H](C)NCCCc1cc(Cl)cc(Cl)c1 2341125868 BZUVYUQCGCLDMT-ZDUSSCGKSA-N 300.273 5.260 30 10 DKEE C=CCC(C)(C)[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2344343993 QWWNYEVHACKNOH-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cc(Cl)ccc1Cl 2344372620 UEWUZJOYMLYNIC-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE C=CCC(CC=C)Sc1ccc([C@@H](C)NCC)cc1Cl 2360367858 JLDVNLBIEZVCRM-CYBMUJFWSA-N 309.906 5.623 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2362241005 SMWFOHOULJTKAQ-GXSJLCMTSA-N 315.200 5.058 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1ccc(SC(F)(F)F)cc1 2364012140 VABFBMUPWSQKRA-CQSZACIVSA-N 301.377 5.067 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 14458653 QEQWRDZHBSZULR-WFXMLNOXSA-N 317.432 5.386 30 10 DKEE Cc1ccc(C)c(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)c1 37346321 VXGGRGLPLHTIEY-HNNXBMFYSA-N 318.203 5.100 30 10 DKEE CCCCCCCNc1c(F)cc(F)cc1Br 59213186 KPQGMAPUIUIYJZ-UHFFFAOYSA-N 306.194 5.110 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc2cccc(Br)c2o1 97419647 YNVJLAVLDREETG-AWEZNQCLSA-N 322.246 5.202 30 10 DKEE CC(C)[C@H]1CC[C@H](C)/C(=C/c2ccc(Br)cc2)C1=O 101679978 XXWIKUUTIWHVPA-PHHZVBRBSA-N 321.258 5.104 30 10 DKEE C=CCSc1ccccc1N[C@@H](CC)c1ccc(Cl)cc1 109900996 NHJMBDORVKKRHO-INIZCTEOSA-N 317.885 6.181 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(C)c(C(F)(F)F)c1 109940330 XTPFDRQCHQFQHQ-CQSZACIVSA-N 301.396 6.175 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc2c(s1)CCCCC2 159072003 MQZWJDXOQRUSGD-QGZVFWFLSA-N 307.547 6.028 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(Cl)c(Cl)c1 159175560 MSEMEQFOJLIOJE-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE Cc1ccc(Oc2ccc(C(F)(F)F)c(C#N)c2)c(Cl)c1 164503954 XXOLVCOZLQXQQR-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE Cc1cc(Nc2ccc(Br)c(Cl)c2)ccc1C#N 232197102 ULPLYUBPAZJSAJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC(C)(CC#N)c1cc(F)c(OCc2ccccc2)c(Cl)c1 260346846 CFXKHJRXLQGFGT-UHFFFAOYSA-N 317.791 5.249 30 10 DKEE CCCCCCCCC(=O)c1c(C)cccc1Br 311092079 OCNIBRMQQDSANY-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CC(C)(C)C[C@H]1CSC(=Nc2cc(Cl)cc(Cl)c2)N1 393478641 NCJVPZMYHJEDBI-LBPRGKRZSA-N 317.285 5.122 30 10 DKEE CCCCCCCn1c([C@@H](N)CCC)nc2cc(C)ccc21 1857801829 BNALDMHCLVAAQI-INIZCTEOSA-N 301.478 5.115 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cc(Cl)sc2Cl)CC1 1883039641 ONEBTIKJTFFNTI-HNNXBMFYSA-N 319.297 5.773 30 10 DKEE CSc1cc(N(Cc2ccccc2)C2CCCC2)ccc1C#N 1905529914 SXYZXQAZGFCEBI-UHFFFAOYSA-N 322.477 5.229 30 10 DKEE CCC[C@@H](CS)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 1931998154 IAGXSIZAUIMPAO-SJLPKXTDSA-N 307.547 5.269 30 10 DKEE C=CCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 1978877796 RKDMLZBHAPEYHB-XUVXKRRUSA-N 310.485 5.029 30 10 DKEE C=C(COCc1ccccc1)[C@H](CC1(C)CCCC1)NCCC 1980382734 LXSXCRZJMQQEFK-FQEVSTJZSA-N 315.501 5.098 30 10 DKEE CCCCCC1CC(C#N)(N(C(=O)OC(C)(C)C)C2CCC2)C1 1984755530 JBIOPIXTHXQFFJ-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C=CCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2059110262 ABWHXAMQHNZHAB-LBPRGKRZSA-N 306.664 5.654 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2081458450 XOINCPDMKISKAX-LKFCYVNXSA-N 306.664 5.510 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1cccc(Br)c1 2085842511 ROGGAXFMXGJTGJ-MRXNPFEDSA-N 310.279 5.150 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccsc1Cl 2107876270 SLKXHUKVLAXUGL-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCCC(C)(C)C1 2112241235 BAIJAZMPYODBSD-QGZVFWFLSA-N 320.274 5.410 30 10 DKEE C=CC1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCCC1 2189503379 LRLLKMAZDMUSBU-UHFFFAOYSA-N 315.200 5.060 30 10 DKEE CC#CCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2194065574 HKLDVDWGIXJJQX-INIZCTEOSA-N 312.284 5.098 30 10 DKEE C#Cc1cccc(N(CC)Cc2cc(Cl)cc(Cl)c2)c1 2197962408 ZJWZKFPHRXEOEQ-UHFFFAOYSA-N 304.220 5.001 30 10 DKEE CCC[C@@](C)(C#N)Cc1c(Br)sc2ccccc12 2217955813 VIADUSXXGXTQRX-OAHLLOKOSA-N 322.271 5.536 30 10 DKEE C=CCCCCCCCNc1cc(Br)ccc1C#N 2227272342 NWERYZZXBAFPDJ-UHFFFAOYSA-N 321.262 5.259 30 10 DKEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)s1 2234289403 HKDWAINXPFNLQL-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)c(O)c(Cl)c1 2240666909 RDTOFICHNONESY-GFCCVEGCSA-N 318.288 6.250 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2271834564 HDXDUMXWAAQSTA-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE C#Cc1ccc2c(ccn2Cc2cc(Cl)sc2Cl)c1 2277801380 NFKKEKBHVOSUFH-UHFFFAOYSA-N 306.217 5.039 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(Cl)c(OC)cc2Cl)CC1 2281566658 XTYDGTKQRBRAGI-JTQLQIEISA-N 313.224 5.321 30 10 DKEE CCC(=CC(=O)c1cc(Cl)cc(Br)c1F)CC 2300197819 MQWLBCNTNGUIJE-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1Cl 2324447336 OTKJURDQCQCOPZ-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1ccc(C)c(Br)c1C 2338743085 BOELPRTVJDDRMF-KRWDZBQOSA-N 322.290 5.095 30 10 DKEE CCC[C@H](CS)COCCCc1cc(Cl)cc(Cl)c1 2341120994 JRQFJHADJPKCEY-ZDUSSCGKSA-N 321.313 5.289 30 10 DKEE Cc1ccc2nc(C(C)C)c(/N=N\c3ccccc3C#N)n2c1 71589835 YPJCUPXKKNTLJD-DQRAZIAOSA-N 303.369 5.053 30 10 DKEE Cc1cc(-c2sc(C#N)c(N)c2-c2cccs2)sc1C 87569927 XICBZWAPWSAILD-UHFFFAOYSA-N 316.476 5.276 30 10 DKEE Cc1cc(C(=O)/C=C/c2cn(C)c3ccccc23)ccc1Cl 96887600 LISLHRZYOVMJCX-CSKARUKUSA-N 309.796 5.036 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(OC)c(OC)c1 110916085 UPOOHYSDRAJJJP-OAHLLOKOSA-N 314.853 5.141 30 10 DKEE CCCCCCCCCCCCC(=O)c1ccncc1Cl 135655045 XXUXROJJNDNVPI-UHFFFAOYSA-N 309.881 6.229 30 10 DKEE CCCCCCCCC(=O)NCC1(c2ccccc2)CCCC1 138107351 FTAMKDARGFUKDG-UHFFFAOYSA-N 315.501 5.365 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc2ccccc2s1 162314269 MPVPNLNYVQBKHT-KRWDZBQOSA-N 303.515 6.432 30 10 DKEE CCCCCCCCC[C@H](NC)c1occc1Br 166488050 SKQCRCFZFJPUAO-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE CC(C)c1ccccc1Nc1cc(Br)cc(C#N)c1 227604699 IHIICZLWCGZHKR-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CCCCCCCCNCc1cc(Br)c(C)s1 227847802 BGLMVHORQWQLFX-UHFFFAOYSA-N 318.324 5.269 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Br)c(F)c1F 689646617 FMNWKFICNXJOLT-LBPRGKRZSA-N 320.221 5.088 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(Br)c(F)c1C 696131315 OPWVVYIJCUMJMJ-AWEZNQCLSA-N 315.226 5.067 30 10 DKEE N#Cc1cc(C(F)F)cc2c(SC(F)(F)F)csc12 725291401 NBFSYTMAQBCZNL-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CC(=O)c1cc(Cl)c(C)c(C#N)c1-c1ccc(Cl)cc1 725421023 UPGXSEHJAZSLSU-UHFFFAOYSA-N 304.176 5.043 30 10 DKEE C/C(=N\OCc1ccccc1Cl)c1ccc2c(c1)CCCC2 1857936225 AXQJLBJXXNERIG-KGENOOAVSA-N 313.828 5.160 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1ccc(C(C)C)cc1 1857936444 MNQDMZVYFRSQBY-HAVVHWLPSA-N 317.432 5.904 30 10 DKEE CC(C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871416476 DXZVUJREZGVSIV-JAIQZWGSSA-N 322.404 5.213 30 10 DKEE C=C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CCC1 1892935107 VCPZSFNLEIFBNU-TVQRCGJNSA-N 318.675 5.652 30 10 DKEE CCCCCCCC[C@@]1(N)CCCC[C@@H]1OCc1ccccc1 1977492942 XQKBKRPSDVDRPO-LEWJYISDSA-N 317.517 5.594 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@@H]1CCCC(C)(C)C1 1980286139 LSDWMLAYKXWATQ-BEFAXECRSA-N 322.493 5.132 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cc(Cl)c(C)cc1Br 1996463401 JXNBEEOPDAISRN-SECBINFHSA-N 315.638 5.196 30 10 DKEE C=CCCCCCC[C@H](NC)c1sccc1Br 2026012750 QDJZRWBTJZCSQI-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE CC(C)(C)[C@H](n1nc(C2CCC2)c(C#N)c1Cl)C1(C)CC1 2080042842 MFKHCLLIIPSADR-HNNXBMFYSA-N 305.853 5.063 30 10 DKEE C=C([C@H](NCCC)c1ccc(Br)cc1C)C(C)(C)C 2096620745 IORLFJKEGHFGGI-INIZCTEOSA-N 324.306 5.401 30 10 DKEE SCCCCCCCCCSCCOCCC1CC1 2127934209 PMROASWJTHTLIY-UHFFFAOYSA-N 304.565 5.197 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1cc(Cl)ccc1Cl 2148590552 VBMFPJXQZXNNID-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE CCCN[C@H](CC#CC1CCCCC1)c1csc(Cl)c1 2149848813 CBPGOINROLTPJF-MRXNPFEDSA-N 309.906 5.416 30 10 DKEE CCCCCCCCCCCCCC(=O)[C@@H](C)CSC 2177824327 DMKGCJSJJDXDCA-KRWDZBQOSA-N 300.552 6.256 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cc(Cl)ccc1Cl 2203785501 PFXWYURHZVWYRD-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CCCCCC#CC[C@H](NCC)c1c(Cl)cccc1Cl 2203808329 VNERGJPXNVJITE-INIZCTEOSA-N 312.284 5.618 30 10 DKEE C=C[C@](N)(c1ccccc1)c1cc(Cl)cc(Cl)c1Cl 2227332309 APJJVZKHIYQQFL-HNNXBMFYSA-N 312.627 5.035 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1cc(Cl)cc(Cl)c1 2238007984 XKZUUBWEEWWLFG-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c([C@H](C)O)s1 2239483468 RLUDZFQBLZZGCW-LBPRGKRZSA-N 319.898 5.369 30 10 DKEE C=C[C@@H](C)CCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 2245053937 PCWNDYPMCRJKHO-MSOLQXFVSA-N 309.453 5.128 30 10 DKEE C=C(COCc1ccccc1)[C@](C)(N)CCCCCCCCC 2246060085 IPFLVHIZXLNIOG-OAQYLSRUSA-N 317.517 5.618 30 10 DKEE CC(C)(C)C#CC=CCC(=O)Cc1ccc(Cl)c(Cl)c1 2284075749 KQAYXZFKGMKSFK-UHFFFAOYSA-N 309.236 5.101 30 10 DKEE Fc1ccc(C(F)(F)F)cc1OCCCCCCCS 2294696144 DTAUORZOQOHBSF-UHFFFAOYSA-N 310.356 5.104 30 10 DKEE COc1ccc(C(C)(C)C)cc1C(=O)C=Cc1ccc(F)cc1 2295967811 SSUVPLKEBKVTRN-UHFFFAOYSA-N 312.384 5.028 30 10 DKEE CC(C)(C)[C@@](C)(CS)COc1c(Cl)cccc1Cl 2327099494 IQGDZCKGJBKISQ-CQSZACIVSA-N 307.286 5.354 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(Br)c(C)c1 2338738032 JGBDKLGDTQQABC-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE CC[C@](C#N)(Cc1cc(Cl)c(OC)c(Cl)c1)C(C)C 2339972122 FRHXTNJRAARFSA-OAHLLOKOSA-N 300.229 5.120 30 10 DKEE CCCC(CS)(CCC)COC1C[C@@H](C)S[C@H](C)C1 2340171088 RJYCIQIFCJBAFG-ZIAGYGMSSA-N 304.565 5.192 30 10 DKEE N#Cc1cc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1 71389703 JVMDWSXRZGGZOA-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)CC1(CS)CCCCC1 94579713 VCXRCVHPAMHHOE-CQSZACIVSA-N 311.922 5.213 30 10 DKEE CCCCCCCOc1ccc(CNC2CCCCC2)cc1 100028160 NSEHPTHRCLTWMR-UHFFFAOYSA-N 303.490 5.458 30 10 DKEE CCCCCCCCCOC(=O)OCCCCCCCCC 100064800 FHWFURWDUGYUMA-UHFFFAOYSA-N 314.510 6.641 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CS[C@H](C)CC 115645831 GEEGHKFTLVJSQH-QZTJIDSGSA-N 302.568 6.190 30 10 DKEE CCCCCCCCCC[C@@H](O)c1c(F)cccc1Cl 115652026 WUQZZDYNEQXEEX-MRXNPFEDSA-N 300.845 6.043 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H]1Cc2ccccc2S1 139565842 UHTDNQNRSJHOON-PKOBYXMFSA-N 305.531 5.432 30 10 DKEE CCCCCCCCOc1c(Cl)cccc1CNC(C)C 165523791 NCNIWJVUKHSQHR-UHFFFAOYSA-N 311.897 5.577 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)C1 218442416 RYHQZJQESFSUND-RLCCDNCMSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1ccsc1Cl 312559131 AHKXNKFXRRDASD-OAHLLOKOSA-N 316.942 5.827 30 10 DKEE CCCCCCCCCCCC(=O)Cc1csc(Cl)c1 380953408 ATYQQWHJAHKWSO-UHFFFAOYSA-N 314.922 6.434 30 10 DKEE C=C([C@H](NCCC)c1cccc(Cl)c1Cl)C(F)(F)F 382542232 YLBILTCGPLSDRP-LBPRGKRZSA-N 312.162 5.153 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(F)ccc1Cl 383845409 NICLDXXWMCPULC-KRWDZBQOSA-N 300.845 6.043 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1ccc(Cl)cc1Cl 387413031 DBRMWHQHJIQNMC-INIZCTEOSA-N 316.272 5.017 30 10 DKEE CCCCCCCN[C@H](Cc1cccs1)c1cccs1 703738480 FYGQIGQWLWXNJY-MRXNPFEDSA-N 307.528 5.653 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(Cl)cc1C(F)(F)F 712593203 DFLJRILDBOEQFQ-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE C=C1CCC(C[C@@H](NC)c2c(C)cccc2Br)CC1 724598510 BQYDPYQKZRNOJQ-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(CC)cc1 1922064398 FDBCBUJTOMABLW-JOCHJYFZSA-N 323.480 5.063 30 10 DKEE C=C([C@@H](NCCC)c1cscc1C(F)(F)F)[Si](C)(C)C 1922962059 GSZNAEGOLHGNIV-CYBMUJFWSA-N 321.484 5.241 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(F)ccc(Cl)c1F 1925530045 DAHIQNXPXXIOJG-CQSZACIVSA-N 304.808 5.792 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)C(C)(C)C)c1 1975570106 DIVBETWQMQDYGU-LJQANCHMSA-N 316.445 5.065 30 10 DKEE C=CCCCCCC[C@@]1(N)CCCC[C@@H]1OCc1ccccc1 1995174281 YCBKHJDSGXYMBE-LEWJYISDSA-N 315.501 5.370 30 10 DKEE C=CCCCCCCC(=O)c1sc(Br)cc1C 2026013791 BWBHWEQUAUQTGD-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE C=CCCCCCC[C@H](NC)c1csc(Br)c1 2026019042 HEFONRGJCIHLJT-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)s1 2037461885 VVXMMVYQVQIDGS-GFCCVEGCSA-N 308.318 6.195 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccc(Br)cc1 2085848613 BSISJWGUAXCGTN-MRXNPFEDSA-N 311.263 5.399 30 10 DKEE CCC1CCC(C=O)(Cc2cccc(C)c2Br)CC1 2087879525 KFRCMWYUJGLHDO-UHFFFAOYSA-N 323.274 5.086 30 10 DKEE C=CC1(COc2ccc3ccccc3c2Br)CCC1 2111711769 QSXXIWWXPWHCBJ-UHFFFAOYSA-N 317.226 5.337 30 10 DKEE C=CC1(CC[C@H](NCC)c2cccc(Br)c2)CCC1 2113428221 ZIDPUBQWOZEKMD-INIZCTEOSA-N 322.290 5.236 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ncc(Cl)s1 2154628134 COANFGLGNDPIMZ-CQSZACIVSA-N 316.942 6.107 30 10 DKEE C#CC(C)(C)C[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2167610226 URVKKQJQLNNEFA-AWEZNQCLSA-N 303.858 5.118 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2cc3sccc3s2)CC1 2205529790 PPZCUTMUILTJFO-CQSZACIVSA-N 305.468 5.106 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1sccc1Cl 2207402344 JOZBGGWHGJOTPC-INIZCTEOSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCCC[C@]1(O)CS[C@H](C(F)(F)F)C1 2207413499 KJLZDAPUIJOASO-UONOGXRCSA-N 310.425 5.092 30 10 DKEE C=CCCCCCC[C@H](Cc1cc(Cl)ccc1Cl)NC 2234035695 MVHNZZGMCMYHFG-MRXNPFEDSA-N 314.300 5.651 30 10 DKEE CCCCCCCC[C@@](C)(O)c1sc(Cl)cc1OC 2278292532 JQPXNRYFXTWGEA-OAHLLOKOSA-N 304.883 5.368 30 10 DKEE Cc1cc2sc([C@@H](O)CC=CC#CC(C)(C)C)cc2s1 2284134962 JSGKHWDZDPSXSK-ZDUSSCGKSA-N 304.480 5.300 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(C(F)(F)F)c(Cl)c1 2287416594 AIIGZTZQJGCADQ-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE CCCCCCCCC=CCCCCCCCCNCCO 2297749094 ZMOMBHNITWAALH-UHFFFAOYSA-N 311.554 5.606 30 10 DKEE C=CC[C@@H]1CCC[C@H]1Nc1nc(Cl)c(Cl)cc1Cl 2315465997 REQRDPDFXNVIHC-LDYMZIIASA-N 305.636 5.199 30 10 DKEE CCOc1ccc(Cl)cc1C=CC(=O)c1ccccc1Cl 2322436809 HRJJQUUILRQIKD-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1Cl 2323790317 NWRDGPOENFOJNV-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE CCOc1ccc(C=CC(=O)c2cccc3ccccc23)cc1 2324128271 ZBVQQCUSJOQSJF-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE C=CCC(CC=C)Sc1c([C@@H](C)O)ccc(Cl)c1F 2335206101 INOPARQBSBUVMX-SNVBAGLBSA-N 300.826 5.145 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(OC)c(Cl)s1 2340265377 OUHWKKSJTXKIHH-BXUZGUMPSA-N 301.883 5.053 30 10 DKEE C=CC[C@H]1CCCCN1Cc1cc(F)c(Cl)cc1Cl 2349792343 FATVDHOPTVJITJ-LBPRGKRZSA-N 302.220 5.063 30 10 DKEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cc(Cl)c(F)cc21 2362207136 MILXAHSEOFZKEB-TVQRCGJNSA-N 310.825 5.035 30 10 DKEE N#Cc1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 14463775 MYQORDGLFQMFFD-RZFNWQHOSA-N 322.411 5.538 30 10 DKEE Cn1cc(/C=N/c2ccc(-c3ccccc3)cc2)c2ccccc21 40570771 MQLZLNPAAJPUIQ-HZHRSRAPSA-N 310.400 5.596 30 10 DKEE CCCCCCCCC[C@H](N)c1cccc(Br)c1 109718843 IHJFFPYZMQKSIW-INIZCTEOSA-N 312.295 5.590 30 10 DKEE CC[C@H](Nc1cc(Br)ccc1C#N)C1CCCCC1 123242397 LINDSJUNRLLWEE-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE CCCC(CS)(CCC)CSCc1ccc(Cl)cc1 166587297 DJRICIDGRIVYOQ-UHFFFAOYSA-N 316.963 6.090 30 10 DKEE CCCCCCCCCCC[C@H](NCCC)c1ccsc1 167942239 GTXWWRMIJSTSGR-IBGZPJMESA-N 309.563 6.710 30 10 DKEE N#Cc1ccc(NCc2ccc(Cl)c(Cl)c2)c(Cl)c1 236067059 JTXLNHXRAHCNOP-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE Cc1csc(N=Cc2c3ccccc3cc3ccccc23)n1 252589373 AJWBNUABFSAIJF-UHFFFAOYSA-N 302.402 5.509 30 10 DKEE CCCCCCCCCNC(C)(C)CN(C)Cc1ccccc1 379629117 OCXZUMABWXOKMN-UHFFFAOYSA-N 318.549 5.237 30 10 DKEE N#CC1(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCCCCC1 380509186 PDXZTUUPIYPLIT-UHFFFAOYSA-N 313.184 5.017 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1csc(Cl)c1 381088550 YETGGQWIORAGFJ-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)CCC1CCCCC1 698409564 VDHQIWMVWUDXAT-RDJZCZTQSA-N 322.493 5.275 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(Cl)c1Cl 709352826 DZJVNUFQLNOQNI-IOASZLSFSA-N 312.284 5.779 30 10 DKEE CCCCCCCCCC(=O)C[C@H](C)COCc1ccccc1 719641883 AZFBIMHUXAMXEQ-IBGZPJMESA-N 318.501 5.939 30 10 DKEE CCCCCCCCCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 1871275716 GTEIEEANWYFBNT-ZWKOTPCHSA-N 307.522 5.482 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583256 DUDFXCIPXLYISU-BUHFOSPRSA-N 320.432 5.661 30 10 DKEE CSc1cc(N(Cc2ccccc2)[C@@H](C)C(C)C)ccc1C#N 1905529291 LJQPGJIKYFPENA-INIZCTEOSA-N 324.493 5.331 30 10 DKEE N#C[C@H](CN(Cc1ccccc1)Cc1cccs1)C1CCCC1 1915378863 QLIOQZHGIQZWEV-LJQANCHMSA-N 324.493 5.080 30 10 DKEE C=C(COCc1ccccc1)[C@H](C[C@@H](C)C(C)(C)C)NCCC 1922079826 JBTRFIHWYNMGDM-QUCCMNQESA-N 317.517 5.200 30 10 DKEE C=C([C@H](NCCC)c1ccc(Cl)cc1Cl)[Si](C)(C)C 1922875468 QKTCBBUJCQWGFY-HNNXBMFYSA-N 316.348 5.468 30 10 DKEE CCCCCCCCCN(CCCN(C)C)Cc1ccccc1 1990778570 KUHBPPXPPPHANG-UHFFFAOYSA-N 318.549 5.191 30 10 DKEE C=CCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@H]1C#N 2000880669 XDOUNEBHZCHUGB-PWRODBHTSA-N 324.512 5.419 30 10 DKEE C=CCCCCCCNc1ccc(Br)c(Cl)c1 2026015111 PZHGNNXCRUMBJZ-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE C=CCCCCCCn1ccc2ccc(Br)cc21 2085840118 VEZJASPKYIKGJL-UHFFFAOYSA-N 306.247 5.540 30 10 DKEE N#CC1(CNc2cc(F)c(Cl)cc2Cl)CCCCC1 2138945302 OHIFMHSOAWRUEW-UHFFFAOYSA-N 301.192 5.018 30 10 DKEE C=C(C)[C@@H](NCCC)c1ccc(-c2ccc(Cl)cc2)s1 2164219309 ZSHNJRPIPJTIFN-QGZVFWFLSA-N 305.874 5.685 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2cc(Cl)ccc2Cl)C1 2168548284 NSVZWYIOAJGTBG-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE CC1(C)CCC[C@H](COCCCCCCCCCS)O1 2185573802 GGUWBMZXKDQPNK-MRXNPFEDSA-N 302.524 5.011 30 10 DKEE CCCCCCCCCCNCc1csc(C(F)F)n1 2188699181 IHNLSOCXCBHQJP-UHFFFAOYSA-N 304.450 5.311 30 10 DKEE CC(C)(C)c1ccc(C#N)c(Sc2ccc(Cl)cc2)n1 2192041416 VVZYWCCRNJEFJO-UHFFFAOYSA-N 302.830 5.055 30 10 DKEE CCC(=CC(=O)c1sc(C)c(Br)c1C)CC 2210627007 VGOLJNFWYJTSFO-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE CCCCCCCC[C@H](C)NC[C@@H](C)N(C)Cc1ccccc1 2212662705 URGYNKXDJDJCJB-VQTJNVASSA-N 318.549 5.236 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)ccc1Cl 2227289114 YIOGWSDHIUXOIU-MRXNPFEDSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cscc1C(F)(F)F 2235533784 CRMWIYVNVUOLOV-CQSZACIVSA-N 306.393 5.717 30 10 DKEE SCCCCCCCOCc1cc(Cl)cc(Cl)c1 2263161534 BGFAWWIXMAPPEX-UHFFFAOYSA-N 307.286 5.390 30 10 DKEE C=CCOc1ccc2ccccc2c1C=CC(=O)c1ccccc1 2322545497 IOGVIMHZXKIGHE-UHFFFAOYSA-N 314.384 5.301 30 10 DKEE CC(=NOCc1ccccc1Cl)c1ccc2c(c1)CCCC2 2330454184 AXQJLBJXXNERIG-UHFFFAOYSA-N 313.828 5.160 30 10 DKEE C=CC[C@H](C)SC[C@H](NCC)c1c(Cl)cccc1Cl 2335188719 SZXIHKINNAGBMQ-FZMZJTMJSA-N 318.313 5.342 30 10 DKEE C=CCCSc1cc(Cl)c(F)cc1CN[C@@H](C)CC 2337282910 JHVTYRWYBSANRX-NSHDSACASA-N 301.858 5.035 30 10 DKEE C=CC[C@@H](C)Sc1ccc(F)c(Cl)c1CN[C@H](C)CC 2360365773 QBOFVFCFCSZXIE-VXGBXAGGSA-N 315.885 5.424 30 10 DKEE C=C1CC([C@@H](Cc2ccc(Cl)c(Cl)c2C)NCCC)C1 2364018208 OWUJKWVBDSEGAD-MRXNPFEDSA-N 312.284 5.179 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 20700183 APCUYBLPUZMKNZ-LPMFXHHGSA-N 306.796 5.038 30 10 DKEE CCCCCCCOc1cccc(NCc2ccccc2F)c1 100039036 YUUVBJAIIVCZPT-UHFFFAOYSA-N 315.432 5.787 30 10 DKEE CCCCCCCCNc1cc(Br)ccc1Cl 109959995 LSXPPFSCMKTAGL-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE C=CC[C@@H](CCCCCCC)O[C@@H](CC=C)CCCCCCC 114184568 SABMUAGPYXBHDI-VXKWHMMOSA-N 322.577 7.613 30 10 DKEE CCCCCCCCCC(=O)Cc1cc(Cl)ccc1Cl 165812127 WVXZVSXBUJETMJ-UHFFFAOYSA-N 315.284 6.246 30 10 DKEE C=CCCCCCC(=O)c1c(F)cc(Br)cc1F 236236357 VVLJSLWNLGHQHB-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE CCCCCCCCN(Cc1cccs1)c1ncccc1C 257648959 RMTAGGMHLWPVQJ-UHFFFAOYSA-N 316.514 5.819 30 10 DKEE Cc1cc(C#N)ccc1N(Cc1ccccc1)Cc1ccccc1 307019717 VMLUEOSRBANAJB-UHFFFAOYSA-N 312.416 5.074 30 10 DKEE CCCCCCCCC[C@]1(C#N)CCCN1C(=O)OC(C)(C)C 309652723 AQELNRBGIFKOFK-LJQANCHMSA-N 322.493 5.420 30 10 DKEE C=CCCCCCNc1cc(C)c(Br)cc1F 379751571 NGPMRGPCAIIQNQ-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE C=CCCC(C)(C)CN[C@@H]1CCc2cc(Br)ccc21 704007114 YELFISUQGXWARF-MRXNPFEDSA-N 322.290 5.018 30 10 DKEE CCCCCCCCCCCC(=O)Nc1c(F)cccc1F 1865984981 RUOWRICRCDJMTH-UHFFFAOYSA-N 311.416 5.824 30 10 DKEE CCCCc1ccc(C(=O)/C=C/c2cccc(OCC)c2)cc1 1874593490 MGINAJGEJNFUKN-NTCAYCPXSA-N 308.421 5.324 30 10 DKEE CC(C)C[C@@H](CS)CN(Cc1ccccc1)CC(C)(C)C 1893839229 JUKHFSWGHBDCSQ-GOSISDBHSA-N 307.547 5.127 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)CC(C)(C)C 1932038787 KUJXZUHJBRGUTC-UHFFFAOYSA-N 307.547 5.271 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)c1cc(Cl)ccc1C#N 1932044758 FZCPRVYECHATOM-UHFFFAOYSA-N 312.844 5.264 30 10 DKEE C=CCCCCc1cc(Br)ccc1Br 1957337621 YGPFGYGBJWJSND-UHFFFAOYSA-N 318.052 5.110 30 10 DKEE CCCCCCC[C@@]1(O)CCCC[C@@H]1OCc1ccccc1 1959253099 PUUBYUOKBFLUDT-VQTJNVASSA-N 304.474 5.237 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCC1 1980334413 OJYCQDSHMCQVDL-UHFFFAOYSA-N 322.493 5.276 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(Br)c(Cl)c1 2011353254 DTKLHTMMIFUCJU-ZDUSSCGKSA-N 320.633 5.017 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(Br)ccc1F 2045998862 WIKJBCGHESMJHA-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE CCCCCCCCN1CCc2cc(Br)ccc2C1 2093524640 YUYVIPRYJHBCPA-UHFFFAOYSA-N 324.306 5.168 30 10 DKEE C=C([C@H](NCCC)c1ccc(Cl)cc1Cl)C(C)(C)C 2096632307 NAHZNYNQIGKDBR-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 2147071998 POONBPRLSLEBJD-MRXNPFEDSA-N 317.256 5.347 30 10 DKEE C=CCC1(Nc2c([N+](=O)[O-])ccc(Cl)c2Cl)CCCC1 2159704601 LVIBJJWSERBSRC-UHFFFAOYSA-N 315.200 5.202 30 10 DKEE CCCCCCCC[C@H](C[C@H](C)P(C)(C)=O)NCCC 2192512274 IRRPVISKSYQHTG-DLBZAZTESA-N 303.471 5.507 30 10 DKEE C#C[C@H](N[C@@H](C)c1cc(Cl)ccc1Cl)C1CCCCC1 2203799524 ZLXQDNBPZLXBFK-SJCJKPOMSA-N 310.268 5.226 30 10 DKEE CCCCC#CCC(=O)c1cc(Br)cc(C(C)C)c1 2266017966 MUYRBPCRVHTECW-UHFFFAOYSA-N 321.258 5.339 30 10 DKEE CCCCC#CC[C@@H](O)c1cc(Br)cc(C(C)C)c1 2266019542 RVTUCBABRDNNEN-QGZVFWFLSA-N 323.274 5.190 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(N)c1cc(Cl)cc(Cl)c1 2284086499 RLYKZZNZFZUOHY-KRWDZBQOSA-N 310.268 5.163 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1cc2sccc2s1 2289672379 QDLUBWIKMPLQHS-CQSZACIVSA-N 303.496 5.197 30 10 DKEE C=CCC(CC=C)SCc1ccc(F)cc1Br 2298917069 QCCJVTGEVQJQLY-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(Br)cc1 2321099655 ULMIJQLHQPATFE-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE C=CCC[C@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2338893945 WMDHWIGEFOCWJD-CQSZACIVSA-N 300.273 5.179 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)CCc1cc(Cl)cc(Cl)c1 2344342525 KOYBXBPSRUNPDN-CVEARBPZSA-N 300.273 5.246 30 10 DKEE C=C([C@H](NCCC)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2377334628 KWAJKOLGGBLRSP-HNNXBMFYSA-N 318.263 5.776 30 10 DKEE CC1=CCCC(C)(C)[C@@H]1/C=C(/C)C(=O)/C=C\c1cccs1 12366871 JBPFDMURTIPODJ-WNOZIXSGSA-N 300.467 5.659 30 10 DKEE CCOc1cc(C)c2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 41431406 SYVVPBORTYVBGJ-ODLFYWEKSA-N 322.404 5.133 30 10 DKEE N#Cc1cccc(-c2csc(-c3ccc(Cl)cc3F)n2)c1 62938315 DVTCZNYVVIQTLQ-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1ccc(Br)cc1 87096721 OBKHNBPMFRDPFS-JTQLQIEISA-N 319.333 5.133 30 10 DKEE CC(C)(C)[C@H](CS)CSc1cccc(Br)c1 87097966 HQNVDRORWQDMNR-SNVBAGLBSA-N 319.333 5.133 30 10 DKEE SCCCCCCCCCO[C@H]1CCCc2ccccc21 97799720 GPUNNEGEBCCGIT-IBGZPJMESA-N 306.515 5.741 30 10 DKEE CCCCCCCCCCCc1nnc([C@H](C)NCC)s1 116084222 AEUJVRJQFBFPIA-HNNXBMFYSA-N 311.539 5.282 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1ccncc1Cl 123615409 FIPUBAUWRLSSGE-QGZVFWFLSA-N 311.897 5.559 30 10 DKEE C=C[C@H](CC(=O)N1CCCC[C@@H]1c1ccc(C)o1)c1ccccc1 135680732 QBYBEFWXDAULFP-IEBWSBKVSA-N 323.436 5.002 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)c1csc(C)n1 143485881 KJIXLGDJUNQSIT-QGZVFWFLSA-N 310.551 6.023 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(F)c(Cl)cc1F 157880224 HYEIMGZGMJPTAO-KRWDZBQOSA-N 317.851 6.019 30 10 DKEE CCCC(CCC)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 211823799 BSBSECHGRCCTJW-GFCCVEGCSA-N 312.240 5.386 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(Br)c2)C1 222884753 QCHDAEOXCVBLLB-JMSVASOKSA-N 324.287 5.260 30 10 DKEE C=CCCCCCOc1ccc(Br)cc1C(C)C 232769150 IYRTUIPLJKPBCM-UHFFFAOYSA-N 311.263 5.698 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc(Cl)ccc1Cl 233164189 GFVJTHXLYLMLJY-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Br)ccc1Cl 236315584 OKTDAIAVUUOSHN-CQSZACIVSA-N 316.670 5.239 30 10 DKEE CCOc1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 254509020 HMUAAAJNDIRWDV-UHFFFAOYSA-N 316.404 5.580 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 387716776 ZZTSYFDGNJMFKS-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE C=CCCC[C@H](N)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 407148271 JWIHOUBGMJALCD-AWEZNQCLSA-N 324.852 5.043 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1ncc(Cl)cc1Cl 686702328 GFRFYINERNFHDN-OAHLLOKOSA-N 313.272 5.013 30 10 DKEE CCCCCCC[C@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 697353526 DSHKQRREADLHNX-KRWDZBQOSA-N 321.461 5.428 30 10 DKEE C=CCCC(C)(C)CN[C@@H]1CCc2c(Br)cccc21 704004962 BDDJKUSCBCKFPD-MRXNPFEDSA-N 322.290 5.018 30 10 DKEE C=CCSC[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 708650283 LUWLTKDLVXAXIQ-AWEZNQCLSA-N 322.276 5.092 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1ccc(C(F)(F)F)s1 718000821 SVTVGBSPYHTZIN-LLVKDONJSA-N 305.409 5.410 30 10 DKEE C=C1CCC(Cn2ccc3c(Br)cccc32)CC1 724578546 FNQXIGJUEKIDFZ-UHFFFAOYSA-N 304.231 5.150 30 10 DKEE C#CCCCCC[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 1949017865 ONHPVYLOHZFIPF-JOCHJYFZSA-N 321.464 5.023 30 10 DKEE C=CC1(CC(=O)c2ccccc2OCc2ccccc2)CCC1 1980008433 CUJFQCNCAXXUED-UHFFFAOYSA-N 306.405 5.195 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1sc(Br)cc1C 2000384370 HNDOPJAUUZEQTH-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(Br)c(Cl)c1 2011353253 DTKLHTMMIFUCJU-CYBMUJFWSA-N 320.633 5.017 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1ccc(CCC)cc1 2070169282 RKHXAJSHMBYNCL-MRXNPFEDSA-N 306.453 5.084 30 10 DKEE CCCCCCCCNCCc1cc(Cl)sc1Cl 2074834627 FPTLYAWXFXDWLM-UHFFFAOYSA-N 308.318 5.548 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)cc1C 2085851565 IKTZBHBMDUUBDO-INIZCTEOSA-N 310.279 5.284 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OC[C@@H](CS)C1CCC1 2145981823 MFUKERMSHQZZFH-AWEZNQCLSA-N 312.906 5.497 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H](O)c1cc(Cl)sc1C 2154433778 HVRVEPUOYXHVJG-HOCLYGCPSA-N 317.926 5.211 30 10 DKEE C=C(C(=O)c1ccc(-c2cccc(Cl)c2)s1)[Si](C)(C)C 2164062665 DCSJHGSHLLEZPY-UHFFFAOYSA-N 320.917 5.685 30 10 DKEE CCCCCCCCCCc1nc2c(Cl)ncnc2s1 2164487457 MRERBQIJAAVOJM-UHFFFAOYSA-N 311.882 5.423 30 10 DKEE CCCCCCCCCc1nc(Cl)c(C(C)C)c(Cl)n1 2187977750 BHFOHUAFHFBIJE-UHFFFAOYSA-N 317.304 6.200 30 10 DKEE C#CC[C@H](C[C@H](NCCC)c1cc(Cl)sc1C)C1CC1 2196853910 KTGKZDLHWWXEMU-ZBFHGGJFSA-N 309.906 5.190 30 10 DKEE C#CC[C@@H](C)C[C@H](N)c1ccc(-c2ccccc2Cl)s1 2196856258 GIVFKYNRXFOKIR-DOMZBBRYSA-N 303.858 5.118 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 2206895626 WFZJPRRCSMVJIK-MRXNPFEDSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCCCCOC1(C)CCC2(CC1)OCCO2 2207437843 RMJJICRWCFNSKP-UHFFFAOYSA-N 324.505 5.386 30 10 DKEE Cc1sc(C(=O)C2=CC[C@@H](C)CC2)c(C)c1Br 2213755394 KPJAYBBUIWEBMK-MRVPVSSYSA-N 313.260 5.057 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1cccc(Br)c1 2227286174 HHDWDOWNIHUUSL-KRWDZBQOSA-N 324.306 5.236 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1csc(Cl)c1 2235519317 OMEYACFIHSAIJH-INIZCTEOSA-N 313.938 6.359 30 10 DKEE CCCCCCCCCCCCOC[C@@H](CS)C(C)C 2239497824 HBALJQNUYCQFMF-SFHVURJKSA-N 302.568 6.126 30 10 DKEE C[C@@H]1CC=C(C(=O)c2scc(Br)c2Cl)CC1 2242656776 QSGVKNLAMJRMTO-SSDOTTSWSA-N 319.651 5.093 30 10 DKEE Cc1cc(Br)ccc1SC[C@@H](C#N)C1CCCC1 2256883316 VBBAFZWBYRYWHX-CYBMUJFWSA-N 324.287 5.180 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2287414152 ODABFLCYPPPSNC-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1cc2sccc2s1 2292906845 AOICEKXSTCNTKA-CYBMUJFWSA-N 309.500 5.116 30 10 DKEE C=C(Cl)COCCCCCCCCCCCNCCC 2296262219 SKGMPQWNMFDMEA-UHFFFAOYSA-N 303.918 5.266 30 10 DKEE C[C@H]1CC[C@H](CSc2cccc(Br)c2C#N)CC1 2313841553 CAKIQRBWKHRPSQ-HAQNSBGRSA-N 324.287 5.239 30 10 DKEE CCCCOc1ccc2c(c1)OC(=Cc1ccc(CC)cc1)C2=O 2324245332 RSCPEWGQLWFIHM-UHFFFAOYSA-N 322.404 5.044 30 10 DKEE Cc1ccc(OCc2ccc(Cl)c(Cl)c2C)c(C#N)c1 2364962112 DNOLUSYDQLWFQF-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C=C1CCC(C[C@H](O)CCc2cc(Cl)cc(Cl)c2)CC1 2366861227 OUGWOGZALDTSNH-QGZVFWFLSA-N 313.268 5.423 30 10 DKEE C#CCSc1ncnc2sc(C)c(-c3ccc(C)c(C)c3)c12 75321149 XQWWZLUJQKDDNF-UHFFFAOYSA-N 324.474 5.009 30 10 DKEE CC(C)C1CCC(C#N)(Cc2ccccc2Br)CC1 87959959 MADBEJJSFZXRRM-UHFFFAOYSA-N 320.274 5.348 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cccc(Cl)c2Cl)C1 91881554 MEXCOXDSIKXSND-HFBAOOFYSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCCCCC[C@H](O)CCCC(=O)O 102183290 YTITYUDOZJUZBE-KRWDZBQOSA-N 300.483 5.303 30 10 DKEE in-vitro CCCCCCCCCC[C@H](NCC)c1ccccc1Cl 109739347 WQTDBRXZPLIIOM-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCCc1noc(N)c1-c1ccc(F)cc1Cl 113098525 IHRPOBRJUJUFFR-UHFFFAOYSA-N 310.800 5.229 30 10 DKEE CCCCCCCCCCCC[C@H](CSC(C)C)NC 115644691 LTWVTWDQFSQFAU-GOSISDBHSA-N 301.584 6.027 30 10 DKEE CCCCCCCC[C@@H](CSc1cccc(Cl)c1)NN 126979479 XXKYVXMPLKMUPI-HNNXBMFYSA-N 314.926 5.015 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Br)ccc1C 158208828 KMNWXMABSADJTC-INIZCTEOSA-N 312.295 5.379 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(F)ccc1Br 168358382 OOAPLMAOOACSDR-OAHLLOKOSA-N 317.242 5.372 30 10 DKEE CCCCCCCC[C@H](Cc1cccc(Cl)c1Cl)NC 228977986 MRCDHJPAYCRSRJ-OAHLLOKOSA-N 316.316 5.875 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(F)ccc1Br 232236662 SOSBFHRHNPUDOR-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE C=CCCCCCNc1ccc2cc(Br)ccc2c1 232554364 SPUCZMSGKCDPRX-UHFFFAOYSA-N 318.258 5.761 30 10 DKEE ON=C1CCC=CCCC=CCC[C@@H]1Sc1ccccc1O 254808229 NKNDZZMNQQYGEJ-KRWDZBQOSA-N 317.454 5.150 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCC[C@@H](C)C1 314176209 LVSKCRSXYZOFEK-WBMJQRKESA-N 306.247 5.020 30 10 DKEE C[C@H](C(=N)c1ccccc1)/C(=N/c1ccccc1)c1ccccc1 585666859 CEJPAOLUSWGWJP-OBMOVNGSSA-N 312.416 5.512 30 10 DKEE CCCCCCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 703707294 BCUGFGQTEGUBMV-LLVKDONJSA-N 322.707 6.268 30 10 DKEE CC1(C)CCCCC[C@@H]1Nc1cccc(Br)c1C#N 718965543 KRPVWADSNMOVEU-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE C=C1CCC(CN[C@H](CC)c2ccc(Cl)cc2Cl)CC1 724451307 JXBNSUNDFWIWRE-QGZVFWFLSA-N 312.284 5.781 30 10 DKEE Cc1cc(C=Nc2cccc3ccccc23)ccc1N1CCCC1 1084008186 SPKXPMPBTLMCKH-UHFFFAOYSA-N 314.432 5.499 30 10 DKEE N#C[C@@]1(Cl)C[C@H]2C=C[C@H]1C2=C(c1ccccc1)c1ccccc1 1088750103 RJDYGWQBIKVBQY-LQWHRVPQSA-N 317.819 5.196 30 10 DKEE N#CCCn1c(-c2ccccc2)c(-c2ccccc2)sc1=S 1615946758 SZUAXVUCCHGPJC-UHFFFAOYSA-N 322.458 5.527 30 10 DKEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccc(F)c(Cl)c1 1859845053 HYULWMGUWNCJQJ-UHFFFAOYSA-N 323.758 5.156 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2ccc3ccccc3c2)c1 1874592800 CHYNNYZSZFDZEU-JLHYYAGUSA-N 302.373 5.135 30 10 DKEE CCCCCCCC[C@@H](N)Cc1cc(Cl)cc(Cl)c1 1893166444 UYUUPHFOWPDAKM-MRXNPFEDSA-N 302.289 5.614 30 10 DKEE C=CCCCCN[C@@H]1CCC(C)(C)C[C@@H]1OCc1ccccc1 1977491090 PYMRGRKVWVCLSJ-UXHICEINSA-N 315.501 5.096 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Br)co1 2003091135 XTOHVVYTBPGXNL-CYBMUJFWSA-N 302.256 5.053 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2116655800 KCUARLBGKNJRIW-STQMWFEESA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@H](C#N)Nc1ccc(Br)cc1 2142470815 QHKYTFAHSVPYLH-MRXNPFEDSA-N 323.278 5.504 30 10 DKEE CCCCCCC[C@H](O)[C@H](NCCC)c1ccc(Cl)s1 2147645552 JVVULSWBASDVLV-BBRMVZONSA-N 317.926 5.164 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(F)c(Cl)cc1F 2158319914 HKPZRZSAOVYAJE-MEDUHNTESA-N 301.808 5.261 30 10 DKEE C=C(CNc1cc(Cl)c(F)c(Cl)c1F)c1ccccc1 2200732808 HJFGUZMOEVBTQK-UHFFFAOYSA-N 314.162 5.397 30 10 DKEE C=CC[C@@H](CC)NCc1c(Br)sc2ccccc12 2217905212 LTZZSHREKWHTBK-LLVKDONJSA-N 324.287 5.108 30 10 DKEE C=CCCCCCCC[C@H](NCC)[C@H]1SCCS[C@@H]1C 2235518746 JKNMQPVXJNCIJB-IKGGRYGDSA-N 315.592 5.118 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(Cl)c(OC)cc1Cl 2266796181 SWYISKCYIVWGQQ-AWEZNQCLSA-N 302.245 5.009 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2277674651 FXDSPICPIDBNDC-JTQLQIEISA-N 311.800 5.259 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Cl)c(Cl)cc1C 2284761221 SYLWCQIPYGMSBP-KRWDZBQOSA-N 317.300 6.260 30 10 DKEE O=C(C=C(Nc1cccc2ccccc12)C(F)F)c1ccccc1 2297321577 KJMKUZNZWIGHKD-UHFFFAOYSA-N 323.342 5.284 30 10 DKEE CC(C)CC[C@]1(CCN=Cc2ccco2)CCO[C@H](C(C)C)C1 2297475088 FKQSUVMEINHMLZ-PMACEKPBSA-N 319.489 5.346 30 10 DKEE C[C@@H]1CCC[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2349797238 ORSKIEXRGSHYDW-MEBBXXQBSA-N 300.204 5.395 30 10 DKEE C[C@@H]1CCCC[C@]1(C=O)CCCc1cc(Cl)cc(Cl)c1 2366848135 IWZYHSFEJDBVPH-CXAGYDPISA-N 313.268 5.712 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc(Cl)cc3)o2)o1 33248373 PCSSCBVFRNEZQW-CLFYSBASSA-N 312.752 5.398 30 10 DKEE N#Cc1cnc2ccccc2c1Oc1cc(Cl)ccc1Cl 36913415 WHKJLLYBMAUNQS-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE C=C(C)COc1ccc2ccccc2c1CNC1CCCCC1 66115847 WQBQIPZXLLBMKP-UHFFFAOYSA-N 309.453 5.217 30 10 DKEE CCCCCCCOc1cccc(NCCc2ccccc2)c1 100038845 CLLIJMRCAGNFOS-UHFFFAOYSA-N 311.469 5.690 30 10 DKEE CCCCCCCCCC(=O)c1c[nH]c2cc(Cl)ccc12 115855315 YRSZYDGBYWZQAA-UHFFFAOYSA-N 305.849 6.145 30 10 DKEE CSc1cccc(Oc2cc(C)c(Cl)c(C)c2)c1C#N 136712124 FFKVHVXASUPOFF-UHFFFAOYSA-N 303.814 5.343 30 10 DKEE CCCCCCCCC[C@@H](N)[C@@H](C)Oc1cccc(Cl)c1 139471084 BMUKIYCRWGODDS-CRAIPNDOSA-N 311.897 5.575 30 10 DKEE CCCCCCCCC[C@H](Cc1ccc(Cl)s1)NC 160903294 IZKIQHFPQBRXRZ-CQSZACIVSA-N 301.927 5.673 30 10 DKEE Cc1ccc(Br)c(Nc2cc(Cl)ccc2C#N)c1 164006325 BXLILLSDTLIROJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE N#Cc1cc(Oc2ccc(F)c(Cl)c2)ccc1C(F)(F)F 164505217 YLVKPHUNIDYYQR-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(Cl)sc1Cl 232919612 ZXRVJKUAKKQTKG-ZDUSSCGKSA-N 323.329 6.619 30 10 DKEE CCCCCCCC[C@H](NC)c1ccoc1Br 232957569 HUDIVAKCEZJGJV-ZDUSSCGKSA-N 302.256 5.053 30 10 DKEE CCCCCCCCCCCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 250824711 MWUFUOPEYKSIEN-FUMNGEBKSA-N 321.549 5.848 30 10 DKEE CC(C)(C)n1cnc2cc(N=Cc3ccc(Cl)cc3)ccc21 252618937 LKYVSIOELCFXPH-UHFFFAOYSA-N 311.816 5.195 30 10 DKEE CC1(C)OB([C@H]2C[C@@H]2c2ccc(-c3ccccc3)cc2)OC1(C)C 310636517 QYUNZSAOMOOFPS-MOPGFXCFSA-N 320.241 5.303 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 312227252 IOYNEXDHGWURFZ-INIZCTEOSA-N 312.284 5.474 30 10 DKEE C=C([C@H](NCCC)c1c(Cl)cccc1Cl)C(F)(F)F 388556435 YQKYOPXEZRQQLL-LBPRGKRZSA-N 312.162 5.153 30 10 DKEE C#CCCCCCNc1ccc(Br)c2ccccc12 686681493 RCVBJJXHRSAYFF-UHFFFAOYSA-N 316.242 5.208 30 10 DKEE C=C1C[C@H]2CC(NCc3cccc(Cl)c3Cl)C[C@@H](C1)C2 697316503 WMUHDNTWMVFBES-NNQSOWQGSA-N 310.268 5.218 30 10 DKEE CC[C@@](C#N)(C(C)C)N(C(=O)OC(C)(C)C)C1CCCCCC1 698872827 GXRYPDBTSUMUHB-LJQANCHMSA-N 322.493 5.275 30 10 DKEE C(=Nc1ccc(-c2ccccc2)cc1)c1ccc(N2CCCC2)o1 1084324296 NSKGMUAYLJJTPT-UHFFFAOYSA-N 316.404 5.297 30 10 DKEE FC(F)(F)c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1 1615716776 GGLZNFQHTYPXHN-DNTJNYDQSA-N 318.125 5.763 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1)C(C)(C)C 1919672962 QGVKXUZOTFCIKG-MRXNPFEDSA-N 306.858 5.704 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(Br)s1 1919991608 IDIDRQDQZKKISK-ZDUSSCGKSA-N 305.281 5.079 30 10 DKEE C=C1CC(CNc2c(Cl)cc(Br)cc2Cl)C1 1985531002 PDMPDWCOGQAISA-UHFFFAOYSA-N 321.045 5.134 30 10 DKEE CCCCCCCCCC(=O)c1ncc(Br)s1 2000215017 MKRDXPQGGOGYAK-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164189648 HBZFBDVXJUTJQY-CXAGYDPISA-N 305.512 5.730 30 10 DKEE CCCC[C@@](C#N)(CC)c1c([N+](=O)[O-])ccc(Cl)c1Cl 2164480972 ZOPPCTKLQCCWOS-CQSZACIVSA-N 315.200 5.263 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cscc2C(F)(F)F)C1 2168539132 HVFCFYGUUOTGSD-AWEZNQCLSA-N 301.377 5.420 30 10 DKEE CC#CCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2196169968 PPZNLTLWJXNVOO-INIZCTEOSA-N 312.284 5.098 30 10 DKEE C#CC[C@@H](C[C@H](NCCC)c1scc(C)c1Cl)C1CC1 2196860476 ZSGZMENWGCGQCA-GJZGRUSLSA-N 309.906 5.190 30 10 DKEE CCCCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1OC 2204248943 SVKNZOOPTNCHPY-CQSZACIVSA-N 318.288 5.623 30 10 DKEE C=CCCCCCCCOCC(C)(C)CNCc1ccccc1 2211144608 ASRLUUKDVBJJQU-UHFFFAOYSA-N 317.517 5.346 30 10 DKEE C/C(=C\Br)CC1(C=O)CC(C)(C)CC(C)(C)C1 2214050669 WTRGFAXYPWNOFJ-KPKJPENVSA-N 301.268 5.097 30 10 DKEE CC1(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)CCCCC1 2234054984 ZIPGTOSCXULJPV-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE C=CC[C@@H](C)[C@@H](O)c1c(Cl)cc(Br)cc1Cl 2243538766 OIGMCNJXXVPYBA-JMCQJSRRSA-N 324.045 5.002 30 10 DKEE C=CCCCCC(=O)c1cc(F)c(Br)cc1Cl 2248033471 RROSELMGZBWEHZ-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE C=CCCCC[C@H](NC)c1cc(Cl)c(OC)cc1Cl 2266793290 RMORXPHVBDPOMH-AWEZNQCLSA-N 302.245 5.009 30 10 DKEE C=CCC[C@H](C)[C@@H](OCCCN)c1cc(Cl)c(Cl)s1 2276384301 CQBHRYGJENWJMY-GXFFZTMASA-N 322.301 5.064 30 10 DKEE C=CCCCCCCCSc1ccc(C(=N)N)c(Cl)c1 2287063770 UFGSYTAREOKRBF-UHFFFAOYSA-N 310.894 5.243 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cnc(C(C)(F)F)s1 2289281618 SQFQITPESYKUCI-GFCCVEGCSA-N 302.434 5.042 30 10 DKEE CC(C)c1ccc(C(=O)C=CNc2ccc(F)cc2Cl)cc1 2296876096 VWJJLZOCAPERJS-UHFFFAOYSA-N 317.791 5.411 30 10 DKEE C=CC[C@@H]1CCC[C@H]1NCc1c(Cl)ccc(Cl)c1Cl 2337094730 SDHMUNAVHRBROR-QMTHXVAHSA-N 318.675 5.481 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc2cscc2s1 2365093063 JXNNZRSUHPDFIC-KGLIPLIRSA-N 303.496 5.053 30 10 DKEE C=C(C)COc1ccc(C(=O)Nc2cccc3ccccc23)cc1 14784355 QNEBYBAHEGDHPR-UHFFFAOYSA-N 317.388 5.047 30 10 DKEE N#Cc1ccc(N[C@@H](c2ccco2)c2ccc(Cl)s2)cc1 37212154 JXPMOFYKIHAIHS-INIZCTEOSA-N 314.797 5.068 30 10 DKEE CCCCCCCN[C@@H](CC)c1ccc(Br)cc1 59434576 JWNMQFKHPATYPP-INIZCTEOSA-N 312.295 5.460 30 10 DKEE C[C@@H](CCS)CCOc1cc(Cl)c(Cl)cc1Cl 94583549 QCEPTYNOJGUCDG-MRVPVSSYSA-N 313.677 5.372 30 10 DKEE CCCC(CS)(CCC)CSc1ccc2c(c1)CCC2 94588891 FQYVPVXSJMUKJA-UHFFFAOYSA-N 308.556 5.784 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2cccc(C)c2C)cc1 103029139 ZXCUFGGXTOKPIW-YPKPFQOOSA-N 323.436 5.291 30 10 DKEE CCCCCCC[C@H](Cc1ccc(Cl)cc1Cl)NCC 109725086 XIMBLKSZHOXWOD-MRXNPFEDSA-N 316.316 5.875 30 10 DKEE N#Cc1ccc(Cl)c(NCc2ccc(Cl)c(Cl)c2)c1 125712958 RTJZPSDAGIZEAK-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCC[C@H](NC)c1cscc1Br 132293510 WPYIRVOYKIVCDT-ZDUSSCGKSA-N 304.297 5.132 30 10 DKEE CCCCCC/C=C/C#CCCCCCCCC(=O)OCC 135855067 AVULRCDYZOWVKE-MDZDMXLPSA-N 306.490 5.810 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCCC1)c1cccc(Cl)c1F 162031625 VLXLVLMHTPGZLP-CQSZACIVSA-N 307.796 5.016 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Cl)ccc1Br 233532348 MGDFWTQGRKYUFK-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1ccsc1Cl 312552347 VRWLHKJANHOCMI-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc(C#N)c1 388064590 BWDOONUNSLDICD-UHFFFAOYSA-N 300.446 5.418 30 10 DKEE C=CCCCC(=O)[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 405968448 GSMPISNVPCYFFU-AWEZNQCLSA-N 317.429 5.063 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(-c2ccccc2)c(F)c1 642882801 PYBSYYGVGHYLDR-KAMYIIQDSA-N 302.348 5.389 30 10 DKEE CCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698916111 NPRQOUDPDAMUCG-CYBMUJFWSA-N 322.836 5.164 30 10 DKEE C=CC(C)(C)CCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 701891209 OPTKWDPQOWUGHC-JTQLQIEISA-N 304.236 5.385 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 715716590 ARDHYIMGODBENZ-AVRDEDQJSA-N 323.480 5.519 30 10 DKEE CSc1cc(CC#N)c2c(SC(F)(F)F)csc2c1 725318731 XFROPTDJZYXDSH-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE COc1ccc2ccccc2c1C=Nc1ccccc1C(C)(C)C 1081823608 CUFSXUVVHSONOU-UHFFFAOYSA-N 317.432 5.897 30 10 DKEE C=C[C@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C1CCC1 1892931676 ARESUZNIIYDPQL-VFZGTOFNSA-N 302.220 5.138 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1cc(Cl)cc(Cl)c1 1893182433 SSXIDGDCMCFHFA-INIZCTEOSA-N 300.273 5.116 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)C1CCCCCCC1 1922110521 LKSBBCNZUORVIC-NRFANRHFSA-N 315.501 5.098 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1cccc(Cl)c1Cl 2108212850 GGDRRINESWZCQE-CABCVRRESA-N 300.229 5.137 30 10 DKEE C=CC1(C[C@@H](NCC)c2c(C)cccc2Br)CCC1 2111711351 MWUTXDKNXKEQKW-OAHLLOKOSA-N 322.290 5.155 30 10 DKEE CC(C)(C)c1ccc(OCC#CBr)c(C(C)(C)C)c1 2114272071 OFRKXEABYZVZCT-UHFFFAOYSA-N 323.274 5.016 30 10 DKEE C=CC1(CN[C@@H](C)c2cc(Cl)sc2Cl)CCCCC1 2132977300 LNQMKBOJHSZHRU-NSHDSACASA-N 318.313 5.842 30 10 DKEE C=C1CC([C@H](NCCC)c2cc(C)c(Br)cc2C)C1 2136362827 GLOGDRVQXILKHB-KRWDZBQOSA-N 322.290 5.073 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1scnc1Cl 2142427258 GZTLJTVSCBPVPB-ZDUSSCGKSA-N 300.899 5.493 30 10 DKEE C=CC[C@@](C)(Nc1nc(C)c(C(C)(C)C)s1)C(F)(F)F 2182190558 PFNLGGTZIWERLW-CYBMUJFWSA-N 306.397 5.058 30 10 DKEE CCc1ccc(C#N)c(Nc2cc(Cl)c(C)cc2Cl)c1 2188845943 BJKCRUQXFNWBIY-UHFFFAOYSA-N 305.208 5.480 30 10 DKEE CC#CCC[C@H](NCCC)c1ccc(-c2cccs2)s1 2205866469 PVJZOXIDPQXMIR-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2217663955 AKAYBTQWHOIOFW-CYBMUJFWSA-N 306.664 5.654 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(Br)cc1CC 2221733412 USJXNRHURLXLDZ-MRXNPFEDSA-N 310.279 5.018 30 10 DKEE C#C[C@H](CC(C)C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2226321691 IGEXGABMJNIRNC-WDEREUQCSA-N 318.675 5.345 30 10 DKEE C=C[C@@H](CC)OC[C@@H](NCCC)c1ccc(Cl)cc1Cl 2239480487 DEOILYRQAFXGPQ-XJKSGUPXSA-N 316.272 5.015 30 10 DKEE CCCCCCCC[C@@H](C)NC(C(F)(F)F)C(F)(F)F 2240644701 MFKJUPUOCYLDKS-SNVBAGLBSA-N 307.322 5.208 30 10 DKEE C=CCCCC[C@@H](N)c1c(C)cccc1NC(=O)OC(C)(C)C 2243546256 QMOORPALIXOEDQ-OAHLLOKOSA-N 318.461 5.088 30 10 DKEE N#Cc1cccc(Br)c1NC1CCCCCCCC1 2269701688 NJNIBKGSFJXMEQ-UHFFFAOYSA-N 321.262 5.236 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc2cccc(Br)c2o1 2271836349 FTXUPTMIDKZVEL-AWEZNQCLSA-N 322.246 5.332 30 10 DKEE Cc1cc(Nc2ccc(C#N)c(Cl)c2)c(Cl)cc1Cl 2277497536 NAIWCCQZDGMVBJ-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=CCCCCCCCSc1nc(C)c(CN)cc1Cl 2287084193 ACKCKHLARKJSQR-UHFFFAOYSA-N 312.910 5.121 30 10 DKEE CC(C)CC[C@]1(CCN=Cc2ccco2)CCO[C@@H](C(C)C)C1 2297475089 FKQSUVMEINHMLZ-UXHICEINSA-N 319.489 5.346 30 10 DKEE Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(Cl)cc1Cl)O2 2314519529 RRJAFOPPNBBASB-UHFFFAOYSA-N 319.187 5.226 30 10 DKEE CC(C)C[C@@H](CS)COCc1cccc(Cl)c1Cl 2328528149 NWXUQRAUXZULJR-LLVKDONJSA-N 307.286 5.102 30 10 DKEE CCC[C@]1(C)CSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340145719 JHPSLIFRFYCFQI-CQSZACIVSA-N 317.285 5.185 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 36930827 GWJZOOFGQPXDQA-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE N#Cc1sc(-c2cccc(Cl)c2)c(-c2cccs2)c1N 52902336 IJJUUUHEYADMPN-UHFFFAOYSA-N 316.838 5.251 30 10 DKEE CCCCCCCCNc1c(F)cc(F)cc1Br 59213188 KIQNOPIOCSFGSD-UHFFFAOYSA-N 320.221 5.500 30 10 DKEE Cc1cc(C)c(/C=N/Nc2ccc(C(F)(F)F)cc2)c(C)c1 59398993 YWIIGPVQMMCXCI-UFFVCSGVSA-N 306.331 5.077 30 10 DKEE C=CCc1cc(C=O)cc(C(C)(C)C)c1OCc1ccccc1 66117781 XVSQRXPKKLAJDL-UHFFFAOYSA-N 308.421 5.104 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(OC)c(OC)c1 109728260 ABUNHFPHNTZXIY-OAHLLOKOSA-N 313.869 5.108 30 10 DKEE CCCCCCCC[C@@H](CNCCC)c1cccc(Cl)c1 118855115 OYBOSOBUUSUHRB-SFHVURJKSA-N 309.925 6.174 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc2sccc2s1 158049784 FECXYZPNYXIUFN-CQSZACIVSA-N 309.544 6.364 30 10 DKEE C=CC[P@@]1(=O)O[C@H](c2ccccc2)C[C@H](c2ccccc2)O1 255986150 LSELVNDFXRDUHX-OEWRPIJISA-N 314.321 5.285 30 10 DKEE CCCCCCC[C@@H](C)N[C@H](C)CCOCc1ccccc1 389940434 MJFHTBLKQGYKQL-RTBURBONSA-N 305.506 5.320 30 10 DKEE N#C[C@H]1CCCC[C@@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404365393 RFOGYFQEIBAVNT-PELKAZGASA-N 303.620 5.141 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC12CCCC2 700606359 SRARUPDDXPGYHL-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CCOc1ccc(Cl)cc1/C=C/C(=O)c1ccc(Cl)cc1 1874578201 BCZSUVYDGHGFRX-WEVVVXLNSA-N 321.203 5.288 30 10 DKEE CCCCCCCC(=O)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 1988172761 YOCFRHCNVVUBHM-IBGZPJMESA-N 315.501 5.217 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc(Br)c(Cl)c1F 2000296797 XSZIJUOUINDKJH-MRVPVSSYSA-N 319.601 5.027 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2csc(Br)c2)C1 2024825028 SPJNJKNESMGLRS-BXUZGUMPSA-N 312.276 5.163 30 10 DKEE C=C([C@@H](NCC)c1ccc(Br)cc1C)C(C)(C)C 2035433936 HCAVLEVLVHDBKK-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1ccc(C)c(Br)c1 2045964123 CQWSIBJWHSCZDA-INIZCTEOSA-N 311.263 5.086 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2102110158 DMQMPSRAUYOXIS-MLGOLLRUSA-N 300.273 5.636 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ncc(SC)s1 2107889543 QBPUFRNLAZZDEF-CYBMUJFWSA-N 300.537 5.266 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(OC)ccc1Br 2108207465 QQVSVKOCGJWZRI-INIZCTEOSA-N 324.262 5.110 30 10 DKEE C=CCC[C@H](C)N[C@@H](c1cccs1)c1ccc(Cl)s1 2110808085 PKBXQYGMUXPZPC-NHYWBVRUSA-N 311.903 5.497 30 10 DKEE CCCCCCCCCc1nc(Cl)c(OC)c(Cl)n1 2131428475 SKNBNJYVQOKIFA-UHFFFAOYSA-N 305.249 5.085 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](O)c1cscc1Cl 2147140045 LTGJIDFTFHTKJA-INIZCTEOSA-N 316.894 5.535 30 10 DKEE C=CC[C@@H](C)[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164162027 MRSYDBZFDWRPQG-SJKOYZFVSA-N 305.874 5.541 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)C1 2168546625 ARJMDQQASNEVQN-GOEBONIOSA-N 312.240 5.137 30 10 DKEE CC[C@@](C#N)(C(C)C)[C@@H](O)c1ccc(-c2cccs2)s1 2205865643 LTQACOWILUOIQW-JKSUJKDBSA-N 305.468 5.086 30 10 DKEE C=CCCCCCCCCCSc1c(N)cccc1Cl 2207404997 QLEKYOMHURQHOC-UHFFFAOYSA-N 311.922 6.321 30 10 DKEE C=CCCCCCCCCC(O)(C(F)(F)F)C(F)(F)F 2207414320 NXKQSKLTZOSCSA-UHFFFAOYSA-N 306.290 5.149 30 10 DKEE C=CCCCCCCCC[C@]1(N)CS[C@H](C(F)(F)F)C1 2207434885 FCNYPIMNZYKWHD-UONOGXRCSA-N 309.441 5.059 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cscc1Br 2214604365 XVPQZODBNOQTSC-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCCNc1cc(Br)ccc1F 2220093643 RYSZLSDLMJBCKX-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE C=C(Cl)COc1c(Cl)cc(Cl)cc1CN[C@@H](C)CC 2231569679 AEMOUTZFEIBBLX-JTQLQIEISA-N 322.663 5.013 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1cc(C)c(Cl)s1 2235518839 KKPKIIJXLFKRHM-OAHLLOKOSA-N 313.938 6.277 30 10 DKEE CCCCCCC[C@H](O)c1ncc(C(F)(F)F)cc1Cl 2239928524 QKZLGGKIRXYYBR-LBPRGKRZSA-N 309.759 5.148 30 10 DKEE O=C(C1=CCCCCC1)c1scc(Br)c1Cl 2242656635 OWHZCYUTSPXMIL-UHFFFAOYSA-N 319.651 5.237 30 10 DKEE C=CCCCCC(=O)c1c(C)cccc1NC(=O)OC(C)(C)C 2243558721 YLTPAYCTVROOJY-UHFFFAOYSA-N 317.429 5.271 30 10 DKEE C=C([C@@H](NCC)c1cc(Cl)c(Cl)cc1C)C(F)(F)F 2270984856 GONLPYVIBARANY-GFCCVEGCSA-N 312.162 5.071 30 10 DKEE CCCCCC#CC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2286518438 JWGAZJDDMHPUHE-KRWDZBQOSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1[C@@H](C)O 2287180534 CTEFRWWHSZYIRJ-CQSZACIVSA-N 312.906 6.012 30 10 DKEE CCCCCCC[C@@H](OCCN)c1ccc(Cl)c(Cl)c1 2293863030 RICJXMZSVQWAEX-MRXNPFEDSA-N 318.288 5.370 30 10 DKEE CCN[C@@H](C#Cc1ccccc1Cl)c1cc(C)c(Cl)s1 2295227121 RNWKIBZBSWDEHJ-AWEZNQCLSA-N 324.276 5.066 30 10 DKEE C=C(Cl)COCCCCCCCCCCCNC1CC1 2296251719 REUBKVRSLDETHI-UHFFFAOYSA-N 301.902 5.018 30 10 DKEE Cc1ccc(C(=O)C=CSC=CC(=O)c2ccc(C)cc2)cc1 2297532437 XNRWHKNTDVFOBH-UHFFFAOYSA-N 322.429 5.130 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Br)cc1CC 2321221448 ADSCGYOVPIIKKB-CVEARBPZSA-N 311.263 5.037 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)c(Br)c1 2337115263 ZASKFKZVUNYDHT-VBQJREDUSA-N 322.290 5.153 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2344338757 CJLALIYHOGJKHG-CVEARBPZSA-N 300.273 5.116 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364550072 ZQFAQCHCKQJPFQ-INIZCTEOSA-N 314.300 6.089 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 37343997 QGAIECKDLWFYAL-NEPJUHHUSA-N 312.240 5.386 30 10 DKEE CCCCCCOc1ccc(/C=C/C(=O)c2cccs2)cc1 62167778 NUTBOQPHAUIMGE-JLHYYAGUSA-N 314.450 5.603 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)cc1 96887858 SVGHJYWNGXIDCF-GXDHUFHOSA-N 322.448 5.587 30 10 DKEE C=C[C@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OC)[C@@H]2CC1 96914703 BGCXKCIPDDNDEV-GZSKETOLSA-N 316.485 5.295 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(F)c(F)c(F)c1 112886089 IOMOYFZKSSUKKG-INIZCTEOSA-N 302.380 5.668 30 10 DKEE C=CCSc1ccccc1N[C@H](CC)c1ccc(F)cn1 161866474 QVIFIJFXYUKEKX-CQSZACIVSA-N 302.418 5.062 30 10 DKEE CCCCCCCCCC[C@H](NCCC)c1ccc(C)s1 162310808 XEVAMLGXTMBSSB-SFHVURJKSA-N 309.563 6.628 30 10 DKEE N#Cc1ccc(Oc2cccc(Cl)c2F)cc1C(F)(F)F 167120965 OCFNGHZEOFFXBY-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CCCCCCCCCCCCC#CI 196142902 ZSGSNBSJTOHJRL-UHFFFAOYSA-N 320.258 5.693 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(C)cc1Br 229754298 YLSBPLZUOUTREU-INIZCTEOSA-N 310.279 5.155 30 10 DKEE SCCCCCCN(Cc1ccccc1)Cc1ccccc1 306416165 QMKHDMAPFXXEFB-UHFFFAOYSA-N 313.510 5.179 30 10 DKEE CCCC1CCC(C=O)(Cc2ccc(Cl)c(Cl)c2)CC1 316774933 FKMGUKVWONPJHV-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE C=CCC(C)(C)CN[C@@H](CC)c1cccc(Br)c1 386758030 GMEBJDCOWWOCSV-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE C[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698379132 RQWVQEQNBXFOOV-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CCOc1ccccc1C=Nc1ccc(Oc2ccccc2)cc1 1084059971 ZBESFACPKUIBQA-UHFFFAOYSA-N 317.388 5.628 30 10 DKEE FC(F)(F)c1ccccc1C#Cc1cccc(Cl)c1Cl 1614826297 LEBQUFJNVQPSPF-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1nc(Cl)cs1 1887958458 MFTPIUKYRCFTBF-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)[C@H]1CCC[C@@H]1C#N 1915376860 CTICMRSCAQNXHK-NXHRZFHOSA-N 310.466 5.004 30 10 DKEE C=CCCN(Cc1ccccc1)CC1CC2(C1)CC1(CCC1)C2 1994244146 ZQDWYBWVCKWLII-UHFFFAOYSA-N 309.497 5.425 30 10 DKEE CCCCCC#CC[C@H](N)c1ccccc1OCc1ccccc1 2024369811 JNCFNCFOFIUJGH-NRFANRHFSA-N 321.464 5.239 30 10 DKEE C=CCCCCC[C@@](C)(N)c1ccc(C)c(Br)c1 2043818966 UQMWAHHCXSCRDG-MRXNPFEDSA-N 310.279 5.068 30 10 DKEE C=C1CCC(CCC(=O)c2ccc(Br)cc2)CC1 2050520806 YYVBSOWJHJETMF-UHFFFAOYSA-N 307.231 5.158 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cccc(C)c2Br)CC1 2061177092 FUWCNWWZIGRULX-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(C)cc1Br 2085838224 BBZPZZVPHWGWFC-INIZCTEOSA-N 310.279 5.284 30 10 DKEE CCCCCCC[C@H](C)NCc1ccsc1C(F)(F)F 2157652468 KNLVWPIZGXKIJK-LBPRGKRZSA-N 307.425 5.606 30 10 DKEE C=CCC[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2164104022 FAJCSCXTFUQEEE-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE CCS[C@@H]1CC[C@@H](N(C)CCCCCCCCCS)C1 2171100282 TVAZUFMYUPPQIT-IAGOWNOFSA-N 317.608 5.253 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1cc(Cl)cc(Cl)c1)C1CC1 2196846694 BOFLWZCNWGCVGS-DYVFJYSZSA-N 310.268 5.084 30 10 DKEE Cc1cc(F)c(Cl)cc1Nc1cc(Cl)c(F)cc1C#N 2206409524 VMDYPHKIGDBBDX-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(Cl)ccc1Cl 2207429421 IYDWKNVGFLRNGY-QGZVFWFLSA-N 315.284 6.334 30 10 DKEE C=C[C@H](CCCCC)O[C@H](C)C(=O)c1ccc(Cl)s1 2231095609 QNLIYJHCQSLUKY-VXGBXAGGSA-N 300.851 5.124 30 10 DKEE C=C(C)CC[C@@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 2236300637 IIIKZYXLPYZJJG-LLVKDONJSA-N 305.771 5.193 30 10 DKEE CCCCCCCOc1nc(Cl)c(CN[C@@H](C)CC)s1 2240006280 IWQIIWJYHVEUGG-LBPRGKRZSA-N 318.914 5.034 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265987815 CVKQSMGNSXVCQY-KRWDZBQOSA-N 324.306 5.579 30 10 DKEE C=CCCCCCC[C@@H](NC)c1csc(Cl)c1OC 2268930612 WACGGJRCFCFWTK-CYBMUJFWSA-N 301.883 5.197 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2c(F)cccc2Br)C1 2273936787 NGLRSOXFXQODHS-WBMJQRKESA-N 324.237 5.241 30 10 DKEE C=CCCCCCCCSC[C@H](NC)C(C)(C)C(F)F 2287198693 PXLSZXHHYBSCRY-AWEZNQCLSA-N 307.494 5.126 30 10 DKEE CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 2297351361 MESRVRXMCJMIEO-UHFFFAOYSA-N 324.182 5.331 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(Br)c1Cl 2304041350 NENZRWUXYJXAPR-ZIAGYGMSSA-N 316.670 5.095 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1cc(Cl)ccc1Cl)NCC 2370483416 TYLNSUTUAWSICL-IRXDYDNUSA-N 314.300 5.506 30 10 DKEE CCCCCCC[C@@H]1CC/C(=C/c2ccc(SC)cc2)C1=O 2157572 XHUOHCWQWJSYPL-KCGBVJQISA-N 316.510 6.132 30 10 DKEE N#CCCc1c(C(F)(F)F)nc2cc(Cl)ccc2c1Cl 75894132 GJVPMHXGNLGUNW-UHFFFAOYSA-N 319.113 5.017 30 10 DKEE CCCCCCCCCCn1c(C(C)(C)C)nc2ccccc21 102194352 ZDXARHNSBWKVMX-UHFFFAOYSA-N 314.517 6.475 30 10 DKEE Cc1ccc(Oc2ccc(Cl)cc2C#N)c(Br)c1 104146165 AFIRIOJBHAKHNZ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCOc1ccccc1CNc1cccc(O)c1 106528233 JEFQXQJKDKCDRJ-UHFFFAOYSA-N 313.441 5.354 30 10 DKEE CCCCCCCOc1ccc(-c2csc(CC#N)n2)cc1 106559585 PKBVRZNIULMROI-UHFFFAOYSA-N 314.454 5.225 30 10 DKEE CCCCCCCCCC[C@@]1(N)CCC[C@H](C(F)(F)F)C1 113979104 CBZGXJHGPAUDPU-JKSUJKDBSA-N 307.444 5.967 30 10 DKEE Cc1ccc(C(C)(C)C)c(Oc2cc(C#N)cc(Cl)n2)c1 122550205 RVXGHUQCEPUGAZ-UHFFFAOYSA-N 300.789 5.005 30 10 DKEE CCCCCCCC[C@H](NCCC)c1c(Cl)cnn1CC 126196323 LVFRALGANJQLBX-INIZCTEOSA-N 313.917 5.348 30 10 DKEE CCc1ccccc1C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 161937304 PDRSGUODBXUUON-AWEZNQCLSA-N 318.203 5.046 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(Cl)c2)C1 222881947 KLTKTUPWOZJSSY-VBQJREDUSA-N 321.917 6.177 30 10 DKEE Cc1ccc(Nc2ccc(Cl)cc2Br)c(C#N)c1 235860549 NOHQYDFOAMAZAV-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccc(N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 254423583 QDRIEIIAWTUBPJ-UHFFFAOYSA-N 320.348 5.222 30 10 DKEE Cc1oc(N=Cc2ccc(F)cc2)c(-c2ccc(F)cc2)c1C#N 254577261 AKZHHYZWTZWZPI-UHFFFAOYSA-N 322.314 5.156 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 308053567 JFOQZVYXJMMENJ-YPMHNXCESA-N 312.240 5.242 30 10 DKEE CCCCCCCCCCNc1cc(Cl)cc(F)c1F 691026790 FYOFHNHQNURAMW-UHFFFAOYSA-N 303.824 6.171 30 10 DKEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCCC1 698462601 AGBYEYJNRQKELU-GOSISDBHSA-N 308.466 5.029 30 10 DKEE CCSc1cccc(Oc2cccc(Cl)c2C)c1C#N 702668877 DMSOHINBLCOPKN-UHFFFAOYSA-N 303.814 5.424 30 10 DKEE FC(F)(F)c1ccc(C#Cc2ccc(Cl)c(Cl)c2)cc1 1614730986 UTNKYJFAVDEYNJ-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCNC(=O)CCCSc1ccc(C)cc1 1859779753 FTFYOKQJPBNQDI-UHFFFAOYSA-N 321.530 5.344 30 10 DKEE CC(=CB1OC(C)(C)C(C)(C)O1)c1ccc(-c2ccccc2)cc1 1911611448 RPEBCWFQFCUGRQ-UHFFFAOYSA-N 320.241 5.388 30 10 DKEE C=CCCCCCCCC[C@@]1(N)CC[C@@H]1OCc1ccccc1 1995326504 YTCUPBBBKQYULT-LEWJYISDSA-N 315.501 5.370 30 10 DKEE CCOc1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)F 2060220200 QBEWNZPOVRWTJS-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cc(Cl)sc1Cl 2139002978 QZKFUQNKJWKPCK-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1)c1scc(Cl)c1Cl 2152521804 CQSXPIYVCBPKNP-AWEZNQCLSA-N 324.276 5.147 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2cc(Cl)sc2C)CC1 2154440466 LKYJKWVTXNQNKY-NRAUKZCXSA-N 311.878 5.244 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Cl)cc(F)c1F 2158322696 DRVZICBEVUEDEI-BZNIZROVSA-N 301.808 5.261 30 10 DKEE C=CCC[C@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2164106185 ZOHMGMAUSWAPKQ-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C=CC1(C[C@H](N)c2c(Cl)cccc2C(F)(F)F)CCC1 2168029485 WKWWYHWNXINFFJ-LBPRGKRZSA-N 303.755 5.105 30 10 DKEE CCCCCCCCCCCCO[C@](C)(CN)CSC 2176253842 DIVUEQQSFKTQDV-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE C#C[C@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1)C1CCCC1 2204043358 HCIMCLPYLNNZNW-DLBZAZTESA-N 310.268 5.226 30 10 DKEE C#CC[C@@H](CC(=O)c1ccc(-c2cccs2)s1)C1CC1 2205873995 JRJNVUMSCSEDJZ-ZDUSSCGKSA-N 300.448 5.099 30 10 DKEE C=C1CC([C@@H](NCC)c2cc(Cl)cc(Cl)c2Cl)C1 2220127035 OGYKBTWIOHKWSB-CQSZACIVSA-N 304.648 5.264 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1 2227280387 BLRFVLDFCBEOCL-MRXNPFEDSA-N 300.273 5.910 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1OC 2279048476 WCZDPHOWUIBRFY-OAHLLOKOSA-N 318.288 5.752 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)sc1CN[C@@H](C)CC 2313689362 OJOLYIQBEYMZIR-WDEREUQCSA-N 303.924 5.346 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1c(Cl)ccc(Cl)c1OC 2344370418 BBKGOBLZWGWFJI-OAHLLOKOSA-N 301.213 5.177 30 10 DKEE C=CCCCC[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2353054589 MVNJBLLLDCBBSL-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE C=CCNCc1c(OCCCCCCC)ccc2ccccc12 100127565 JACIPVBMMBLCEX-UHFFFAOYSA-N 311.469 5.465 30 10 DKEE CCCCCCC[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1 109760267 PRFOYDUYPPISDE-UONOGXRCSA-N 316.316 6.393 30 10 DKEE CCCCCCCCCCCC[C@@H](CS[C@@H](C)CC)NC 115645907 OQXYDCWTICDCDI-OALUTQOASA-N 315.611 6.417 30 10 DKEE Cc1cc(Cl)c(N[C@H](CC#N)c2ccccc2)cc1Cl 128158951 BHEPISIVOCJQEN-OAHLLOKOSA-N 305.208 5.369 30 10 DKEE CCCCCCCOc1cccc(Cl)c1CNC(C)(C)C 129399316 BDVOGHJMNRFKAQ-UHFFFAOYSA-N 311.897 5.577 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2ccc(C(C)(C)C)s2)CC1 166300462 YOSQADULFZVGMC-OAHLLOKOSA-N 305.487 5.189 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(F)c(Cl)cc1F 233543676 CIDGDOFVXBGCNZ-INIZCTEOSA-N 301.808 5.405 30 10 DKEE Fc1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 254595942 RGHWACDWPOEJKV-UHFFFAOYSA-N 305.352 5.155 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1CS[C@H](C)[C@@H](C)S1 300421792 IQEVVOXYIUKCMR-NCOADZHNSA-N 317.608 5.341 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1ccccc1OCc1ccccc1 379752471 OSHRQISATUGBQH-RTBURBONSA-N 320.436 5.150 30 10 DKEE CCCCCCC[C@@H](N)c1c(F)ccc(F)c1Br 403308996 RZMNXHQUXZTBPD-GFCCVEGCSA-N 320.221 5.088 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cccc(NC(=O)OC(C)(C)C)c1 407621418 FVDCTHWLUHVXDN-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(Br)cc1 692211589 JTFQJDHTOFCOHH-UNEWFSDZSA-N 322.290 5.235 30 10 DKEE CCCCCCCN[C@@H](Cc1cccs1)c1cccs1 703738471 FYGQIGQWLWXNJY-INIZCTEOSA-N 307.528 5.653 30 10 DKEE CCCCCCCOCc1ccc(Br)c(F)c1 721978907 GWFCVOXLYZDYLR-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE C=C1CCC(C[C@H](Cc2ccc(Cl)c(Cl)c2)NC)CC1 724590557 XHOLBVVGVREYCD-OAHLLOKOSA-N 312.284 5.260 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=N/N=C1\C[C@H]3CC[C@@]1(C)C3(C)C)C2 1088588401 BKQBIDOFONHMJM-BDOCUGHMSA-N 300.490 5.476 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(Br)sc1C 1946701578 ZLOLPFKWJDXWGF-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1ccccc1OCc1ccccc1 1996708892 FLPKWTGNEPWYMR-CTNGQTDRSA-N 321.464 5.273 30 10 DKEE C=C(C)[C@H](NCCC)c1cc(Cl)c(C)c(Br)c1 2002242537 OYJPBCJSAYNQOB-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Br)co1 2003090482 RRKBRNNLDGRONF-CYBMUJFWSA-N 303.240 5.216 30 10 DKEE C=CCCCCCCOc1ccc(F)c(Br)c1 2026018179 XEDTUYNVICSWBP-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE C#CCCCCCCCCCCNC(=O)OCc1ccccc1 2060431928 JMOVNIYOXKODFO-UHFFFAOYSA-N 315.457 5.057 30 10 DKEE CCCCCCCCC[C@@H](O)C(=O)c1cscc1Cl 2090883110 YQCIRJYMHICOTI-CQSZACIVSA-N 302.867 5.086 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2099891321 WCJDWYQYCOJEIV-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE C=C([C@@H](NCCC)c1cc(C(F)F)cs1)[Si](C)(C)C 2120939316 LDRKUFHRQSGOPA-CYBMUJFWSA-N 303.494 5.160 30 10 DKEE C=CCCCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1 2141920184 DCOUCIGSXGYQPZ-OAHLLOKOSA-N 301.261 5.024 30 10 DKEE C=CCCCCCC[S@@](=N)(=O)c1ccc(Cl)cc1Cl 2141925665 HEVPWQDDQNBMPN-LJQANCHMSA-N 320.285 5.536 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2cscc2Cl)CC1 2146171117 SZDHUXFIEFHUPG-WMEQCIOUSA-N 311.878 5.181 30 10 DKEE CCCC[C@@](C)(C#N)[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 2164474385 CGZJGKRWABEFSL-GJZGRUSLSA-N 318.219 5.060 30 10 DKEE CCCCCCCCCCC(=O)c1ncc(C(F)F)s1 2164491365 GPGQHELMINANNT-UHFFFAOYSA-N 303.418 5.794 30 10 DKEE CCCCCC#CC[C@H](NCC)c1c(Cl)cncc1Cl 2203809200 DMYHUVULSAAIHQ-HNNXBMFYSA-N 313.272 5.013 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1 2203955787 CVWVITBHDIEDJY-AWEZNQCLSA-N 324.594 5.137 30 10 DKEE N#C[C@@H](C(=O)c1ccccc1Cl)c1cc(Cl)cc(Cl)c1 2203956463 JVKAHNPKOWPGDC-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE Cc1cc(C#N)cc(N[C@@H](C)c2cc(Cl)cc(Cl)c2)c1 2238007671 UMGVUGWTLRMHIS-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(F)c(Cl)c(F)c1 2240615261 AYPLCKZXBXWUQG-INIZCTEOSA-N 303.824 5.543 30 10 DKEE CCCCCCCC[C@@H](C)NCc1csc(C(F)F)n1 2240643470 YFMOXWKTACTUKI-GFCCVEGCSA-N 304.450 5.309 30 10 DKEE CCCCCCCCC[C@H](C)NCCCOCc1ccccc1 2246065004 ZJDJLOUTEUBARW-FQEVSTJZSA-N 319.533 5.712 30 10 DKEE CO[C@@H](CSCC1(CS)CCCCCC1)CC(C)(C)C 2287311894 DPELRNKLQQKHGZ-OAHLLOKOSA-N 318.592 5.441 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2299506996 DALDBPPQYLRACM-XMSQKQJNSA-N 323.480 5.519 30 10 DKEE CC1(C)CC(CS)(CSc2ccc(Cl)c(Cl)c2)C1 2321754372 BZBFKYIWWUZUFK-UHFFFAOYSA-N 321.338 5.822 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cc(C(F)(F)F)ccc1Cl 2370482966 QDACJGHNGJQQJL-KGLIPLIRSA-N 305.771 5.351 30 10 DKEE O=C1/C(=C/c2cccc(Br)c2)CC[C@H]1C1CCCC1 248022 FISNCXVKVOKPLG-DKGMDFAASA-N 319.242 5.002 30 10 DKEE CC(C)c1ccc(C#N)c(SCc2cccc(Cl)c2)n1 5633565 MIHIIPIJCAJNCL-UHFFFAOYSA-N 302.830 5.022 30 10 DKEE Cc1cccn2c(/N=N\c3cccc(C#N)c3)c(C(C)(C)C)nc12 71581444 WFDISJWSNHWDIJ-FCQUAONHSA-N 317.396 5.227 30 10 DKEE CCSc1ccc(C)cc1C(=O)/C=C/c1c[nH]c2ccccc12 83193190 MXXSBKFMVFLEPW-MDZDMXLPSA-N 321.445 5.484 30 10 DKEE CCCCCCCCCCC/C=C\c1ccc(C(=O)OC)cc1 100166768 NXOVKLHEIIDXDW-YPKPFQOOSA-N 316.485 6.407 30 10 DKEE CCCCCCCCCNc1ccccc1OC(F)(F)F 110156908 MEMWXJVBVJLJGP-UHFFFAOYSA-N 303.368 5.748 30 10 DKEE CCCCCC[C@H](C)Oc1cc(Br)cc(C#N)c1 227634479 TYFFCIXDMNLYEG-LBPRGKRZSA-N 310.235 5.058 30 10 DKEE CCCCCCCCC[C@H](N)[C@H]1SCCS[C@@H]1CC 228153448 HFDMMVSOSMSLKT-ARFHVFGLSA-N 303.581 5.082 30 10 DKEE CCCC1CCC(C#N)(Cc2cccc(Cl)c2Cl)CC1 228941010 PGKVLNHIEDZLKM-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2cc(Cl)ccc2Cl)CC1 232910952 OSQVFIDQSJIHIX-YWCUFVOSSA-N 312.240 5.137 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc2sccc2s1 233164636 VKGHICQWIXQSHV-CQSZACIVSA-N 307.528 6.140 30 10 DKEE C[C@H]1C/C(=C/c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 253486747 ZHDAXGCYNXSIAE-KZMPDLLWSA-N 324.370 5.431 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1CS[C@@H](C)[C@H](C)S1 300169475 NPVAXWNDDTZXGX-QAETUUGQSA-N 318.592 5.504 30 10 DKEE CCCC1CCC(C=O)(Cc2cnc(Cl)cc2Cl)CC1 317307574 NNGSOYDXWWZFQG-UHFFFAOYSA-N 314.256 5.107 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695045632 QTWXUBFYJKNDGW-CQSZACIVSA-N 305.771 5.366 30 10 DKEE Cc1ccc(CSc2ccc(Cl)c(Cl)c2)cc1C#N 701879953 HTASJQFMUKHXQX-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CCCCCCCC[C@@H](NC)c1c(F)ccc(F)c1Cl 705461094 INIRTQYTBPBGNF-CQSZACIVSA-N 303.824 5.629 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(C)cc1Br 715815835 VUWOFEQJEAMLHC-BBRMVZONSA-N 310.279 5.010 30 10 DKEE CC/C(=N\OCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 821218421 PXISNXRRSHPSIP-LSDHQDQOSA-N 311.400 5.035 30 10 DKEE Cc1cc(C)cc(C#Cc2ccc(Cl)c(Br)c2)c1 1614827648 SCHGLJKHVIWBHW-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CCCC[C@](C)(C=O)Cc1sc(Cl)cc1Br 1903670029 TZLNHTFWURCOPJ-LBPRGKRZSA-N 323.683 5.102 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](NCC)c1sccc1Cl 1921150649 ROAHHWYUPQCVPW-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE CCCC#CCn1ccc2cc(OCc3ccccc3)ccc21 1994212290 GAKUNMWEWJBGES-UHFFFAOYSA-N 303.405 5.024 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1sccc1Cl 2090917351 CPENDIGLMOFRMH-CQSZACIVSA-N 302.867 5.145 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1snc(Cl)c1Cl 2110889823 UMOZROXJGMZDHG-LLVKDONJSA-N 321.317 5.627 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cccc(Br)c1 2113420736 VRAFQXWIZAWZGE-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE C=CCCCCCCCCC(=O)[C@H]1SCCS[C@H]1C 2142433188 DXEDJZWRVLRZNT-HOCLYGCPSA-N 300.533 5.099 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SC2CCC(F)(F)CC2)C1 2144851206 ACDSHVHMDLYZQC-IPYPFGDCSA-N 301.446 5.406 30 10 DKEE CCCCCCCCC[C@@H](O)C(=O)c1cc(Cl)sc1C 2154420823 CFPBBGZYODRZHK-CQSZACIVSA-N 316.894 5.394 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2cc(C(F)(F)F)cs2)C1 2161224841 DMXZDNRHLKVWBW-RISCZKNCSA-N 304.377 5.095 30 10 DKEE C#CC(C)(C)C[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2167608206 LSTAUCDLWMXVJQ-AWEZNQCLSA-N 304.842 5.151 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(Cl)c(F)c1F 2176954988 UJQNTCQCFPCBBI-INIZCTEOSA-N 304.808 5.576 30 10 DKEE C=CC1(CN[C@H]2CCCc3sc(Cl)cc32)CCCCC1 2189518783 RUGRCGGTMYGVFE-AWEZNQCLSA-N 309.906 5.505 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1cc2cscc2s1)C1CC1 2196850106 SYFUSBCPJCFFQY-HIFRSBDPSA-N 303.496 5.053 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2200838179 MBTWKWQKURPDLE-CQSZACIVSA-N 306.755 5.529 30 10 DKEE C=CCCCCCCC[C@@H](N)C1CC(OCc2ccccc2)C1 2211142713 FDQGZQLQCMOZPO-XVAXZDLZSA-N 315.501 5.226 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H](C)CN(C)Cc1ccccc1 2212666226 DQEQRQJJGIVWFY-PMACEKPBSA-N 318.549 5.236 30 10 DKEE C=CCCCCCCC[C@H](N)c1sccc1Br 2214622956 LXOBGJWSUFDRMQ-ZDUSSCGKSA-N 316.308 5.427 30 10 DKEE C[C@H](CCS)CCSc1ccc(OC(F)(F)F)cc1 2227644161 WJZIBLBMUPYNMW-SNVBAGLBSA-N 310.406 5.023 30 10 DKEE CCCCCCCCCCCCOC[C@@H](CS)C1CC1 2239504311 YZWAEAWVSXWEPX-SFHVURJKSA-N 300.552 5.880 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cocc1Br 2258146469 SZHRZRZUCMGXSS-HNNXBMFYSA-N 314.267 5.219 30 10 DKEE N#Cc1c(Cl)cccc1SC[C@@H]1CCCCC1(F)F 2267993841 ISCQYXLWHQPEGF-JTQLQIEISA-N 301.789 5.129 30 10 DKEE N[C@H](CC#CC1CCCC1)c1c(Cl)ccc(Cl)c1Cl 2274114232 SKXKPFLMIQFGPW-CYBMUJFWSA-N 316.659 5.230 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OCCCCCCCS 2294695236 UIWUGXBINSQYEC-UHFFFAOYSA-N 314.922 6.031 30 10 DKEE CCOc1cccc(C=CC(=O)c2ccc(Cl)cc2Cl)c1 2295967916 KWUSIXQKLCSYAZ-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE O=C(C=CC=Cc1ccccc1)c1ccc2oc3ccccc3c2c1 2296753587 KOHUYFNRWVBNAF-UHFFFAOYSA-N 324.379 6.038 30 10 DKEE CCCCCCCCCNc1ccc(Br)c(O)c1 2321010501 BITQSNBXEGIHDB-UHFFFAOYSA-N 314.267 5.317 30 10 DKEE N#C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCCSC1 2341196419 GKYWUQKGOIGCLI-OAHLLOKOSA-N 314.281 5.353 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(Cl)c(Cl)c2C)C1 2364002537 SUJOXSRXKUIMMQ-GUYCJALGSA-N 310.268 5.955 30 10 DKEE C=CCC(CC=C)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 2364083665 NKICAIIJIYQZIU-UHFFFAOYSA-N 302.723 5.310 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364415032 NTOCRIQQYKRCPU-SJKOYZFVSA-N 314.300 5.945 30 10 DKEE O=[N+]([O-])c1cccc(/N=C/c2cccc(-c3cccs3)c2)c1 8513471 LWKNTPBKALDNCX-LDADJPATSA-N 308.362 5.074 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 14465904 QMFBIJCURQSFID-ZXYWRSMDSA-N 306.796 5.038 30 10 DKEE CCCCCCCCN[C@H](c1ccccc1)c1cccs1 59134418 NELAJPGYKBOOMD-LJQANCHMSA-N 301.499 5.788 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(Cl)c1 83193911 XVUZZRRAFXTQFI-BJMVGYQFSA-N 318.775 5.164 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(OCCOC)cc1 100048498 CABLHTKIROHAGJ-HXUWFJFHSA-N 321.505 5.113 30 10 DKEE CCCCNC(/C=C(\O)c1cccs1)=N\c1ccc(C)cc1 103103223 YIOALMQHQGOCNP-SSZFMOIBSA-N 314.454 5.075 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(C)cc1Br 109750357 QEWPDQUIYGLHFF-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(F)cc1Cl)NCC 112899275 PFIIYTGTDCJMSC-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE CCCCCCC[C@@H](CNC(C)C)Cc1cccc(Cl)c1 113023235 YNXWJLZPOOFGRJ-GOSISDBHSA-N 309.925 5.857 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(Cl)cc1Cl 115651769 PGXPKWFODQBTIX-KRWDZBQOSA-N 317.300 6.558 30 10 DKEE CCCCCCCC[C@@H](CSc1ccccc1Cl)NC 117520611 YSJPIHVTZMOBKD-HNNXBMFYSA-N 313.938 5.771 30 10 DKEE CCCCCCCCC1(c2cccc(Br)c2)CNC1 118674504 ITRYZJOYUGZLOE-UHFFFAOYSA-N 324.306 5.041 30 10 DKEE CCCCCCCCCCNC[C@H]1CSc2ccccc21 129335741 UKTSYJKYCBCVAV-KRWDZBQOSA-N 305.531 5.606 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CC1CCSCC1 135565627 FAVGIKNIMNYIGX-LJQANCHMSA-N 314.579 6.192 30 10 DKEE C=CCC[C@@H](NCc1nc(-c2ccco2)oc1C)c1ccccc1 180042102 SQMGLPHDUROSAB-QGZVFWFLSA-N 322.408 5.040 30 10 DKEE CCCCCCCCCNc1cc(F)ccc1Br 232246672 DONKBRAFMNHMGK-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE C=CCCCCC[C@H](NC)c1cccc(Br)c1C 234440755 JVERADDFERXZSR-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C=CC[C@H](CC)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 393774513 DFXKODOYYXVCBN-PXNSSMCTSA-N 309.453 5.271 30 10 DKEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698424343 KMKPPXZJPHTALF-LJQANCHMSA-N 316.445 5.209 30 10 DKEE CCc1ccc(/C(=N/OCCCc2ccccc2)C2CC2)cc1 821227618 ZGBNCGZKCSGUIZ-DQRAZIAOSA-N 307.437 5.013 30 10 DKEE C=C(C)Cn1c(-c2ccc(N(CC)CC)cc2)nc2ccccc21 1873521650 UEJCWYMHOOOKIB-UHFFFAOYSA-N 319.452 5.126 30 10 DKEE C=C(C)CC[C@H](O)c1ccc(-c2ccc(Br)cc2)o1 1886386137 WSFBQOHMMDIDBF-AWEZNQCLSA-N 321.214 5.099 30 10 DKEE CCCCCCC[C@@](C)(O)C(=O)c1cc(Cl)ccc1Cl 1919415203 CMFWVRFHLIDCBA-MRXNPFEDSA-N 317.256 5.288 30 10 DKEE C=C([C@H](O)c1ccc(-c2cccc(Cl)c2)s1)C(F)(F)F 1919674012 UYTKPBOYIABRBC-ZDUSSCGKSA-N 318.747 5.220 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](N)c1ccc(Cl)cc1Cl 1920346916 LETSMHUSUGNHAN-CVEARBPZSA-N 318.288 5.105 30 10 DKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCC(CC)(CC)CC1 1981061561 WTLQNDAFGJHMDM-UHFFFAOYSA-N 322.493 5.276 30 10 DKEE C=CCCCCC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F 1984510079 IBCMHAKONNRJFL-UHFFFAOYSA-N 321.392 5.102 30 10 DKEE C=C(COCc1ccccc1)[C@H](CC[C@H](C)CCCC)NCC 1995260968 ZZRQBFCIBUGZGY-NQIIRXRSSA-N 317.517 5.344 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCC12CCC2 2047957362 ZKIPKWHOYOIJAN-BLLLJJGKSA-N 304.231 5.027 30 10 DKEE N#C[C@]1(Cc2cc(Cl)cc(Br)c2)CCC12CCC2 2047960135 WVNPSUXPVILAHY-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE C=C1CC(C[C@@H](NCC)c2c(Cl)ccc(Cl)c2Cl)C1 2125745090 UAXLEIDSOZOGBL-CYBMUJFWSA-N 318.675 5.654 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(C(F)(F)F)ns1 2155035747 YMPLJPPQABWCNS-LLVKDONJSA-N 308.413 5.302 30 10 DKEE N#C[C@@H](Sc1ccccc1Cl)[C@@H]1CCC2(CCCC2)C1 2155222544 IIRGRBIPFMLZQT-CZUORRHYSA-N 305.874 5.685 30 10 DKEE C=C1CC(C[C@H](NCC)c2cc(-c3cccs3)cs2)C1 2182169627 XCFQFXMGPYLUGQ-HNNXBMFYSA-N 303.496 5.484 30 10 DKEE CCCCCCCCCC[C@@H](N)c1csc(C(F)F)n1 2188751639 YJWIRNMWGNRXFB-GFCCVEGCSA-N 304.450 5.611 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@@H]1CC[C@@H]2CCCC[C@H]2C1 2212375410 CEKAEFMZEYAIBJ-FSSWDIPSSA-N 311.513 5.671 30 10 DKEE C=C[C@H](CCCCC)Oc1ncc(Cl)cc1Br 2216924818 NWGABRKUCQAYFU-LLVKDONJSA-N 318.642 5.011 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1NCC#CC1CCCC1 2251482764 JIMCGLBSACIYIG-UHFFFAOYSA-N 319.448 5.180 30 10 DKEE C=CCCCCCCC[C@@H](O)c1csc(Cl)c1OC 2268853825 GGXGWKHHGKBQBZ-CYBMUJFWSA-N 302.867 5.360 30 10 DKEE C=CCCCSC[C@H](NCCC)c1ccc(Cl)c(F)c1 2287073898 ZGQRQWHXNJKHLV-INIZCTEOSA-N 315.885 5.219 30 10 DKEE C=C(C)CCCCOc1c(Cl)cc(Cl)cc1C[C@@H](C)N 2287409851 ZWDRRXRJOYZVHT-GFCCVEGCSA-N 316.272 5.008 30 10 DKEE C=C(Cl)C[C@@](C)(CCCCCCCCC)OCCCN 2295687717 WZKGPCZVOVJMJC-QGZVFWFLSA-N 303.918 5.394 30 10 DKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCC)cc1 2322391367 DCUCGIZRDBWYAD-UHFFFAOYSA-N 308.421 5.324 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1csc(C(F)(F)F)c1 2364078610 UJRGDKIZODUZHI-AWEZNQCLSA-N 303.393 5.186 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(C(F)(F)F)s1 2364090517 WQRKZBJWSIVVDE-CQSZACIVSA-N 303.393 5.186 30 10 DKEE CCOc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccccc1 5653785 HVWLZHICJGOSAJ-ACCUITESSA-N 308.421 5.279 30 10 DKEE CCCCCCC[C@H](NC1CC1)c1nc(C(C)(C)C)cs1 109691227 CSDYAOKPCWDNLF-HNNXBMFYSA-N 308.535 5.594 30 10 DKEE CCCCCCCCC[C@H](O)c1cccc(C(F)(F)F)c1 112885078 UUUFQTDWOUJPNY-INIZCTEOSA-N 302.380 5.880 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1cc(C)sc1C 115653325 LXDYLTCSFJJKGF-IBGZPJMESA-N 310.547 6.709 30 10 DKEE CCCCCCCCCCN[C@H]1CSCc2ccccc21 129284473 WEOBQLOTMHMZNQ-IBGZPJMESA-N 305.531 5.705 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1SCCS[C@H]1CC 162412284 JWOGSPSSWUTRKZ-ULQDDVLXSA-N 317.608 5.342 30 10 DKEE Cc1cc(Cl)ccc1Nc1ccc(C(F)(F)F)c(C#N)c1 164400806 QREGJUQMHAMGRB-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCCCC[C@@H](O)[C@H](C)OCc1ccccc1 404145953 PUKZWEIUAFVPHL-AZUAARDMSA-N 306.490 5.483 30 10 DKEE CCCCCC/C=C/CCC/C=C/C=C/C(=O)N1CCCCC1 1616183440 OVIAKACTZLFBOR-OGNLFIHZSA-N 317.517 5.808 30 10 DKEE CCCCCCCCC[S@](=N)(=O)Cc1ccccc1Cl 1917874772 SIMGWXGXRUTGPX-FQEVSTJZSA-N 315.910 5.637 30 10 DKEE C=CC1(C[C@H](CCCOCc2ccccc2)NCCC)CCC1 1980018433 HSQCGRLFQAHWTQ-FQEVSTJZSA-N 315.501 5.098 30 10 DKEE CCCCCC1CC(C#N)(N(C(=O)OC(C)(C)C)[C@H](C)CC)C1 1984755010 BRCOZMBYVHJICK-MDCZIUGASA-N 322.493 5.275 30 10 DKEE C=CCC[C@@H](NCCC)c1c(Cl)cccc1Br 1998387585 SRLUSBMVLRVHMF-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(C#N)c2ccccc12 2013165967 YWKFIQKIWOBHHT-UHFFFAOYSA-N 312.416 5.294 30 10 DKEE CCc1cc(C(F)F)cc(OC(F)(F)F)c1C(F)(F)F 2060347925 OXOZSLLJHXEJCG-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CCCCCCCN(C)Cc1snc(Cl)c1Cl 2085857254 WYBSINWBSWIYRJ-UHFFFAOYSA-N 307.290 5.018 30 10 DKEE CCCCCCCCCCc1ccc(-c2ccc(CN)cc2)cc1 2086861496 UWWWDPDQCWBIKI-UHFFFAOYSA-N 323.524 6.496 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1ccc(Br)cc1 2138964117 RXILZJYOPGLDHI-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCCCCCCCC[C@@](C)(O)c1csc(Cl)c1 2142439550 AYACLHUFMPRSCT-MRXNPFEDSA-N 300.895 5.916 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H](NC)c1ccsc1Cl 2147450178 LBMBPFLUXFUJGC-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@@H](CC(C)(C)SC)NCCC 2164268349 HPWCHXRCJRTWBA-KRWDZBQOSA-N 301.584 6.027 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccc(-c2cccs2)s1 2205874309 ZBKVTTWFLAOAOA-CQSZACIVSA-N 305.512 5.874 30 10 DKEE CC(C)c1cc(Br)cc([C@@H](N)CC#CC(C)(C)C)c1 2265949367 BQASDLJHKJQAOZ-INIZCTEOSA-N 322.290 5.012 30 10 DKEE C#CCCC[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967035 KCIULYKNSMWYKY-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE C=C[C@@H](C)C[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273115772 FRLHNPOPUDJEJI-MLGOLLRUSA-N 324.306 5.219 30 10 DKEE C=CCCCCCCCSc1c(F)c(F)nc(F)c1F 2287065517 NNBUWUIIJQJAJY-UHFFFAOYSA-N 307.356 5.257 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2289705497 PTYJLBZKTBYEDR-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE CC(C)c1ccc(C(=NOCc2cccc(F)c2)C2CC2)cc1 2330303677 ZDBDHPLTUHJXGS-UHFFFAOYSA-N 311.400 5.280 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cccc(Br)c1C 2344347035 YIAWJHZYLQNOEU-DLBZAZTESA-N 324.306 5.401 30 10 DKEE CO[C@@H](CSC[C@@](C)(CS)C(C)(C)C)CC(C)(C)C 2352102353 ZMPGHGHRPUCVDE-CZUORRHYSA-N 306.581 5.153 30 10 DKEE Cc1c(C[C@@]2(C=O)CCCC(F)(F)C2)ccc(Cl)c1Cl 2364264820 CAPQWIUUWVNKGQ-AWEZNQCLSA-N 321.194 5.239 30 10 DKEE CCCCCCCCNC(=O)c1c(Cl)cc(F)cc1Cl 2366351997 JJCKHNBHUFSNOV-UHFFFAOYSA-N 320.235 5.223 30 10 DKEE C=C1CC(N[C@H](C)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)C1 2368803616 PKMARGJRSVWLGN-SECBINFHSA-N 324.173 5.295 30 10 DKEE C=CC[C@@](C)(CC)C(=O)Cc1cc(Cl)c(OC)c(Cl)c1 2370511376 SPIXVWWZSLFGHU-MRXNPFEDSA-N 315.240 5.106 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1cccc(Cl)c1Cl)NCC 2370520851 DWGCZZPFHLKZFG-WBVHZDCISA-N 314.300 5.506 30 10 DKEE CC(C)C1=CC[C@H](C)/C(=C/c2ccc(Br)cc2)C1=O 27466404 AHIWRPYADLRREL-KPENOIPVSA-N 319.242 5.024 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](SCc2ccccc2)C1 37154331 HOVMEOIHYLVTKJ-OKZBNKHCSA-N 301.499 5.664 30 10 DKEE CCCCCCCCCCCCCCC[C@@H]1OC[C@H](CO)O1 100035311 SMZVDXMAZDUWPE-RBUKOAKNSA-N 314.510 5.202 30 10 DKEE CCCCCCCCN[C@H](C)c1ccccc1OCCC(C)C 100048579 DSWHBFQGJYNCAR-LJQANCHMSA-N 319.533 6.123 30 10 DKEE CCCCCCC[C@](C)(NCC)c1nc2c(s1)CCCC2 109689926 WLNQHNITSZCXBQ-SFHVURJKSA-N 308.535 5.207 30 10 DKEE CCCCCCCCNc1ccc(C(F)(F)F)cc1Cl 109853478 DWALQULUJHQZRB-UHFFFAOYSA-N 307.787 6.131 30 10 DKEE CCCCCCC[C@@H](CNC1CC1)Cc1ccccc1Cl 110521170 ISAHGNXALSYDRJ-MRXNPFEDSA-N 307.909 5.611 30 10 DKEE C[C@@H](NC(c1ccccc1)c1ccccc1)c1ccc(C#N)s1 134651171 DHHIPOXDAKTQQX-OAHLLOKOSA-N 318.445 5.060 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1snnc1CC 135568472 AJOCSBLNYJEXFH-INIZCTEOSA-N 312.523 5.445 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)[C@@H]1CCSC1 143496526 VUZGURFFPUTOJN-RTBURBONSA-N 313.595 6.029 30 10 DKEE CCCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NC 167064259 CJHHRHXTOCBGSS-HNNXBMFYSA-N 302.289 5.484 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(Br)c2)C1 222884636 QCHDAEOXCVBLLB-XUJVJEKNSA-N 324.287 5.260 30 10 DKEE CCCCCCCCNCCc1ccc(Br)s1 226357476 UHIVQHCLCPZKHF-UHFFFAOYSA-N 318.324 5.003 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1cccc(Cl)c1Cl 228914637 YBJRRHFQCIFKBU-MRXNPFEDSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232938220 XUUGCORWNDCFKF-LZWOXQAQSA-N 302.549 5.322 30 10 DKEE Cc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(C#N)c1 235900744 RTIVXCKRPFTUDI-UHFFFAOYSA-N 312.583 5.619 30 10 DKEE CCCCCCCCC[C@](C)(O)c1c(Cl)cccc1Cl 400883701 YLIVVUOHGJSUQF-KRWDZBQOSA-N 317.300 6.342 30 10 DKEE Fc1ccc(-c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F 514255134 UIXQIUKPQJXJKU-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 715718358 GJYSXKNMBUELPK-AVRDEDQJSA-N 323.480 5.519 30 10 DKEE Cc1ccc(-c2csc(SCc3ccccc3C#N)n2)cc1 1860795961 VJXVQLAIRRXANK-UHFFFAOYSA-N 322.458 5.283 30 10 DKEE C=C([C@@H](NCCC)c1cc2ccccc2s1)[Si](C)(C)C 1922867369 DUDVEKQRNWQQMF-QGZVFWFLSA-N 303.547 5.376 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(F)cc(Br)c1 2045998455 SMGSRSJQMHLEMR-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE C=CCCCCCC[C@H](O)c1cccc(F)c1Br 2085917153 NKTOZJDPIIZKSN-AWEZNQCLSA-N 315.226 5.148 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccc(F)c(Br)c1 2117012666 BORXODLYLJKXCB-INIZCTEOSA-N 324.237 5.241 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H](O)c1sccc1Cl 2148614333 XUHLVCFMBMEQIB-CABCVRRESA-N 317.926 5.164 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1c(Cl)cccc1Cl)NCCC 2158321752 WVVGXXZVWFVVIU-GUYCJALGSA-N 314.300 5.506 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cccc(Cl)c1Cl 2207429550 KNSNYUQYKYNKLV-INIZCTEOSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1ccsc1Cl 2207441184 XQKKMHKGQBZPHK-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE C=C(CSCCCCCCC1CC1)B1OC(C)(C)C(C)(C)O1 2212446870 TYEXFMIGKUZYSB-UHFFFAOYSA-N 324.339 5.268 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1 2227287443 LOAXMBBCFLGDFE-INIZCTEOSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCCN(C)Cc1cc2cscc2s1 2235532592 LXEXPXFMOSSKAO-UHFFFAOYSA-N 307.528 5.921 30 10 DKEE CSCC1(C[C@@]2(C#N)CCCC(C)(C)C2)CC(F)(F)C1 2289656384 NCMQGCJRIQACIT-CQSZACIVSA-N 301.446 5.265 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cccc(Cl)c1F 2295588408 GLYOUDFJJJUZMG-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE C=CC[C@H](C)C(=O)c1cc(Br)cc(C(C)(C)C)c1 2321171231 XARODTWZLWYEDL-NSHDSACASA-N 309.247 5.142 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2321225215 OQZZXZGTNKTSRO-KGLIPLIRSA-N 307.648 5.673 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2344342526 KOYBXBPSRUNPDN-HOTGVXAUSA-N 300.273 5.246 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(Cl)ccc2Cl)C1 37154524 UFVOZQSKPSWFKB-JTNHKYCSSA-N 314.281 5.804 30 10 DKEE Cc1ccc(Cn2c(Cl)c(C#N)c3cc(C)c(C)cc32)cc1 71465774 VZDBNERHGVKOPO-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(F)cc2Br)C1 87972672 RTDZYKKOTASVNC-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE CCCCCCCCSC(=S)CCCCCCCC 103013661 RPPWGKMMTRCZDI-UHFFFAOYSA-N 302.593 7.158 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(Cl)cc1Cl 110224000 NOGUWKBTBGKMSM-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE CCCCCCCC[C@H](Cc1c(F)cccc1Cl)NCC 112899080 BUNOUEKDTRLKQW-OAHLLOKOSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccccc1F 136772375 BFLWZCBNZPXQGI-UHFFFAOYSA-N 307.453 5.363 30 10 DKEE CCCCCCCCCC[C@H](CCCc1cccs1)NC 143451230 VWGZMHFGUHHNLO-GOSISDBHSA-N 309.563 6.190 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1sccc1OC 157875243 RKIQRRNESSULKY-INIZCTEOSA-N 311.535 5.938 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cccc(C)c1Cl 162307837 QFFPEPMUITYNQW-GOSISDBHSA-N 309.925 6.440 30 10 DKEE C/C=C(/CCCCCCC/C=C/CCCCCCCC)OC 216507029 INJCWUBWAUIVEG-CWAHEWTMSA-N 308.550 7.574 30 10 DKEE CCOc1ccc2ccccc2c1C=Nc1cc(C)cc(C)c1 254618885 SFYZICIQVVFFIV-UHFFFAOYSA-N 303.405 5.606 30 10 DKEE CCCCCCCCCCC[C@@H](C)[C@@H](O)CCCC(=O)O 334161619 CVBGKXNGRXLHHT-SJORKVTESA-N 300.483 5.159 30 10 DKEE CCCCCCCCCC[C@@H](COCc1ccccc1)NCC 395506281 UQMHDLKJCFKLFB-NRFANRHFSA-N 319.533 5.712 30 10 DKEE C=CCCC[C@H](C)NC1CC(c2ccc(Br)cc2)C1 398207896 YYPSTOMXVFWDSM-KTAKPFMOSA-N 322.290 5.030 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(C)c(Br)c1 715809905 AWPCATXCEHGNAM-BBRMVZONSA-N 310.279 5.010 30 10 DKEE Fc1cccc(Cl)c1C=NNc1cc(Cl)ccc1Cl 1084585991 KOXABXQPYBYHMN-UHFFFAOYSA-N 317.578 5.232 30 10 DKEE Cc1cc(C)c(C#N)c(Nc2ccc(Nc3ccccc3)cc2)n1 1859831261 KBRJSLNIZUVENZ-UHFFFAOYSA-N 314.392 5.057 30 10 DKEE C=CCn1c(-c2c(Cl)cccc2Cl)nc2ccccc21 1873520105 VEXKOFZKKDSRMV-UHFFFAOYSA-N 303.192 5.196 30 10 DKEE CCOc1ccccc1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874586726 BJIZMPZVONXXDE-VAWYXSNFSA-N 308.421 5.215 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C[C@@H](N)CC 1915405676 CDOAOHRPVPZEPK-NRFANRHFSA-N 318.549 5.367 30 10 DKEE C=CCCCCCC(=O)c1cc(Br)c(C)s1 1978417362 UWJBKUBJKAQPMZ-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=CCCC[C@H](NCCC)c1sc(Br)cc1C 2000388364 SVNDUUGYIIILPT-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE C=C([C@@H](NCC)c1c(C)cccc1Br)C(C)(C)C 2035417873 JIJWENLQVLWTQP-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=C(CC)CC[C@H](NCCC)c1ccc(Br)cc1 2050513876 USIUNWCAQRDFIP-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=CCCCCNc1ccc(Br)c2ccccc12 2059117268 BEORKBJVYWVMAN-UHFFFAOYSA-N 304.231 5.371 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1Cc1ccc(C(C)(C)C)cc1 2070144279 GNZOJSTWSVBGNU-UHFFFAOYSA-N 320.480 5.258 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(C)cc(Br)c1 2085852571 SORMFVXHFPNHRE-INIZCTEOSA-N 311.263 5.318 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccc(C)c(Br)c1C 2107885675 CTEAXEYYVCHVBV-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE C=C(CC)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)o1 2114581043 PEHJMKWTVDRIIO-CQSZACIVSA-N 321.214 5.099 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1ccsc1Cl 2142446629 CVTBHASLFKKCEN-OAHLLOKOSA-N 300.895 6.132 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(C(F)(F)F)cc1Cl 2179250370 SIEBGIRWOPGXIM-CQSZACIVSA-N 307.787 5.719 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200836461 PFOSRLIKSXOXLG-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(F)c(Cl)c(F)c1 2201598423 OZEYGTTYJSEVAG-HNNXBMFYSA-N 303.824 5.759 30 10 DKEE C=CC1(CNc2cc(Cl)c([N+](=O)[O-])cc2Cl)CCCC1 2234282612 NZVZJAPEDJNEJA-UHFFFAOYSA-N 315.200 5.060 30 10 DKEE C=CCCCCCCC[C@@H](O)Cc1cc(Cl)cc(Cl)c1 2235538070 GKRFEXNJVMPAKF-QGZVFWFLSA-N 315.284 5.814 30 10 DKEE C=C[C@H](CC)OC[C@H](NCCC)c1c(Cl)cccc1Cl 2239492340 JDUXADQSGDGOBE-DOMZBBRYSA-N 316.272 5.015 30 10 DKEE CCCCCCCCCCOc1cc(Cl)c(F)cc1N 2239492390 JTIDDPBGLMSSPL-UHFFFAOYSA-N 301.833 5.581 30 10 DKEE N#Cc1cccc(F)c1Oc1ccc(OCc2ccccc2)cc1 2247088102 HESFKTXEWMWZRQ-UHFFFAOYSA-N 319.335 5.069 30 10 DKEE CCCCCCC[C@H](O)c1cc(CC)c(Br)s1 2248021878 KMTUBKYXYIVVIA-LBPRGKRZSA-N 319.308 5.467 30 10 DKEE C=CCCCCCCCOc1cccc(C)c1Br 2263817766 CFVCMVVLOBTVCS-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 2295684029 HPBLUHSLFWENOM-CABCVRRESA-N 315.954 6.581 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1cc(Cl)c(Cl)cc1Cl 2321139205 XRTIQQKRZBZJIR-ZDUSSCGKSA-N 306.664 5.510 30 10 DKEE C=C1CCC(CC(=O)c2c(Cl)cc(F)cc2Cl)CC1 2340806707 MYOOZEKWDAQWSQ-UHFFFAOYSA-N 301.188 5.452 30 10 DKEE CCCCCCC[C@@](C)(Nc1ccsc1Cl)C(=O)O 2348420677 UIEVZIGBPSFQPW-CQSZACIVSA-N 303.855 5.017 30 10 DKEE C=CCC(CC=C)Sc1c(C)sc(CNC(C)C)c1C 2360377395 JPCKXGPMXWTIHO-UHFFFAOYSA-N 309.544 5.476 30 10 DKEE CCNc1cccc(C#Cc2cc(Cl)c(C(F)F)s2)c1 2371194356 UWZXEHCBAAYBTP-UHFFFAOYSA-N 311.784 5.171 30 10 DKEE O=C(/C=C/C=C\c1ccccc1)c1ccc2oc3ccccc3c2c1 6133130 KOHUYFNRWVBNAF-YMSJWGFRSA-N 324.379 6.038 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37154004 QMBSJXPXPRBNOB-XJKCOSOUSA-N 316.495 5.497 30 10 DKEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12 71787217 PPOKOFKITVOKOG-SOFGYWHQSA-N 316.187 5.371 30 10 DKEE CCCCCCCOc1ccccc1CN[C@H]1CCC[C@@H](C)C1 100131648 WTEXRDQIGGXJPL-QUCCMNQESA-N 317.517 5.704 30 10 DKEE Cc1ccccc1/N=C\c1ccc(/C=N/c2ccccc2C)cc1 103294425 BSYIITQHPOGZMO-REPVBDINSA-N 312.416 5.805 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1sc(C)nc1C 111361424 HFMDXGYCKNKPDN-GFCCVEGCSA-N 304.484 5.211 30 10 DKEE CCCCCCCCCC[C@H](O)c1snnc1C(C)(C)C 135559529 QNQDZLHSBVFZKF-AWEZNQCLSA-N 312.523 5.400 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H]1CCCc2sccc21 139533898 BECXKRIDRNBGFR-FUHWJXTLSA-N 307.547 5.897 30 10 DKEE CCCCCCC[C@@H](NC)c1csc(Br)c1 139660086 HHXRFVJHSRVUCQ-GFCCVEGCSA-N 304.297 5.132 30 10 DKEE C=CCN(C(=O)CCCCCC)c1ccc(-c2ccccc2)o1 144003395 QAHLQFWOWQHRMI-UHFFFAOYSA-N 311.425 5.436 30 10 DKEE CCCC[C@H](C)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 205023620 QWANYJPCZQMWTC-HNNXBMFYSA-N 307.393 5.071 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(C)cc1Br 229754305 YLSBPLZUOUTREU-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCCC(=O)c1ccoc1Br 232919646 RHMALFYYDYXHFH-UHFFFAOYSA-N 315.251 5.756 30 10 DKEE CCCCCCCCC[C@H](Cc1csc(Cl)c1)NC 378987973 XERIWTUDTMBCDG-OAHLLOKOSA-N 301.927 5.673 30 10 DKEE CCCCCCCCCCNCCCCOCc1ccccc1 390581664 IXAHOZJXWHPZQM-UHFFFAOYSA-N 319.533 5.714 30 10 DKEE C=CC[C@H](CC)N[C@H](C)c1ccc(Br)cc1Cl 393795015 OKNQPFOQTYFMKX-PWSUYJOCSA-N 316.670 5.108 30 10 DKEE C=CCCCCC[C@H](O)c1cc(C(F)(F)F)ccc1Cl 695006477 KYXQZOLNQFJWAG-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)C1CCCCCCC1 698853231 RSCABNXIFQEAQK-QGZVFWFLSA-N 322.493 5.132 30 10 DKEE CCCCCCCCC[C@@H](C#N)N(CC)C(=O)OC(C)(C)C 698939192 BUJXYXQCYCVBTQ-INIZCTEOSA-N 310.482 5.276 30 10 DKEE CC/C(=N\OCCOc1cccc2ccccc12)c1ccccc1 821217980 QZQXBVHOTMKVGV-LSDHQDQOSA-N 319.404 5.050 30 10 DKEE CC(C)(C#N)CCCCOCc1cc(Cl)cc(Cl)c1 1893158401 BNTDBZBSMPHFBV-UHFFFAOYSA-N 300.229 5.230 30 10 DKEE CC(C)C[C@@H](CS)CN(Cc1ccccc1)[C@@H](C)C(C)C 1893839712 QPUMIXAWDIPHKT-PKOBYXMFSA-N 307.547 5.125 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCCCCCCCC)NC 1922081598 YRZBECNXDWHWPB-NRFANRHFSA-N 317.517 5.488 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(OCc2ccccc2)cc1 1983531137 WUECTZOBGONCQF-UHFFFAOYSA-N 306.405 5.339 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1scc(Br)c1C 2005345138 NWXZAWUWLNQUOX-GXFFZTMASA-N 316.308 5.072 30 10 DKEE Cc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 2040455102 ONQJDHMPFBTOGK-UHFFFAOYSA-N 312.412 5.867 30 10 DKEE C=CCCC(=O)c1ccc(-c2cccc(Br)c2)s1 2045673752 MPSFNKXLZQIHFI-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(SC(F)(F)F)cc1 2163974291 RGHHLAZIDZKHRU-UHFFFAOYSA-N 300.345 5.372 30 10 DKEE C[C@@H](CCC(F)(F)F)N(C)CCCCCCCCCS 2177890466 RCKIFQCLDNNKNO-AWEZNQCLSA-N 313.473 5.310 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1ccc(C(F)(F)F)cc1Cl 2179255403 WGASNLHZTBEZEH-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CC(C)(C)C#CC=CCc1ccc(Br)c(Cl)c1 2248464040 XLUASUYGZWJPTC-UHFFFAOYSA-N 311.650 5.251 30 10 DKEE CCCOc1ccc(Cl)cc1C=CC(=O)c1ccc(C)cc1 2322596034 RVPUXHZIGVUEAA-UHFFFAOYSA-N 314.812 5.333 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cccc(Cl)c1C(F)(F)F 2370605009 XOVMLELPSBMTTB-KGLIPLIRSA-N 306.755 5.385 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1cc(F)c(Cl)cc1Cl 2377392150 KSFZLGJRSXPDIB-LLVKDONJSA-N 318.263 5.255 30 10 DKEE N#Cc1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21 19887288 MYQORDGLFQMFFD-QTGUNEKASA-N 322.411 5.538 30 10 DKEE N#CC[C@@H](Sc1ccccc1Br)c1ccccc1 55022645 NZYCTVYBNLVHRD-CQSZACIVSA-N 318.239 5.196 30 10 DKEE CCCC1(CCC)CC(C#N)(c2ccc(Br)cc2)C1 86541421 QBTWXEPRNNAMNG-UHFFFAOYSA-N 320.274 5.591 30 10 DKEE C[C@@H]1C[C@@H](OCCCCCCCCCS)CC(C)(C)C1 97799734 PGNNINBFWVGYFD-IAGOWNOFSA-N 300.552 5.878 30 10 DKEE CC/C=C/C/C=C/C[C@@H]1O[C@H]1CCCCCCCCCCC 136370777 HQCGSJRACGWHOF-FWNUMGPKSA-N 306.534 6.977 30 10 DKEE CCCCCCCC[C@H](N)c1cc(F)ccc1C(F)(F)F 163964247 UPPBADWHNWQIBN-HNNXBMFYSA-N 305.359 5.595 30 10 DKEE CCCCCCCCNCc1ccc(Cl)c2cccnc12 166479916 VNXXAERBXQKXHF-UHFFFAOYSA-N 304.865 5.338 30 10 DKEE C=CCNc1ccnc(Nc2c(C(C)C)cccc2C(C)C)n1 243292244 LDYXEVVKKIIRFY-UHFFFAOYSA-N 310.445 5.065 30 10 DKEE CC(=NNc1nc2ccccc2s1)c1cccc2ccccc12 254589815 UHEZMLFOIPQAEF-UHFFFAOYSA-N 317.417 5.286 30 10 DKEE ON=C1CCCCCCCCCC[C@@H]1N1CCc2ccccc21 254765013 HEMFWFXZZAPJNS-FQEVSTJZSA-N 314.473 5.163 30 10 DKEE CCCCCCCC[C@@H](NC)c1cscc1C(F)(F)F 380524103 RVABSNGVYJKKTL-CQSZACIVSA-N 307.425 5.778 30 10 DKEE N#C[C@H](CCC1CCCCC1)Nc1ccc(Br)cc1 395177564 CSCKDAZJYFEWEE-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCCCCCCCCCc1ccc(-c2ccc(C)cc2)cc1 605655134 ZSOWKIJWRYHXRY-UHFFFAOYSA-N 308.509 7.345 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2sc(Cl)cc21 692237955 BERMLKWPTJNSSA-SNPRPXQTSA-N 309.906 5.503 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@](C)(C#N)C1(C)CC1 698867009 MHVMMEIYTQLMRJ-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@H](C)NCC(C)(C)N(C)Cc1ccccc1 714220788 LVXHWHFXJVBYQG-IBGZPJMESA-N 318.549 5.236 30 10 DKEE CCCCCCCCCCNC(=O)c1csc(C(C)C)n1 1859671114 JENZPJNMGIENRO-UHFFFAOYSA-N 310.507 5.137 30 10 DKEE C=CCN(C(=O)C1CCC(CCCC)CC1)C1CCC(C)CC1 1860008382 NJFNVVFRWSOVPL-UHFFFAOYSA-N 319.533 5.576 30 10 DKEE N#Cc1ccc(CSc2nc(-c3cccs3)cs2)cc1 1860807027 BWGJDHAJNNHVOJ-UHFFFAOYSA-N 314.460 5.036 30 10 DKEE C[C@@](O)(c1cccc(Cl)c1Cl)C1(C#N)CCCCCC1 1921065953 DYIYRFGPYYMONS-OAHLLOKOSA-N 312.240 5.065 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(C)sc1Br 1951106978 CXSVYXLWXFTPQV-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CCCC1CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1984759418 ICPGAQLUIMOKFF-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C=CCCCCCC[C@H](NCCC)[C@H](C)OCc1ccccc1 1995175298 DHBXNNNHNYUKJU-FPOVZHCZSA-N 317.517 5.487 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(C)sc1Br 2009485081 SBSJVAYSQAVIQV-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCCCCCCNc1ccc(Cl)cc1Br 2026015413 SOCRLAOXUSEWQB-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(Cc2cccc(C)c2Br)C1 2027611701 UEJSNGKJKGVVLT-CJNGLKHVSA-N 306.247 5.020 30 10 DKEE Cc1cc(C#N)c(Sc2cc(Cl)cc(Cl)c2)nc1C 2099256424 ZUTOHJXRRQACKI-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE N#CC1(COc2cc(Cl)c(Cl)cc2Cl)CCCCC1 2109995978 PXMRORBRXXRQHF-UHFFFAOYSA-N 318.631 5.500 30 10 DKEE N#Cc1cc(F)c(Cl)cc1SCc1ccccc1Cl 2127967845 RXNNFEHSTUMCDL-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(Cl)sc1C 2142443514 IZGSDLNNLVRGSS-HNNXBMFYSA-N 300.895 6.050 30 10 DKEE CC#CCC[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164158723 AOTGCWPTBZFLIY-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=C(C)CC[C@H](C)NCc1ccc(C(F)(F)F)c(Cl)c1 2164692703 YQYHPKIVSFOZTH-NSHDSACASA-N 305.771 5.193 30 10 DKEE CCCCCC(C)(C)CN=C1N[C@@H](c2ccsc2)CS1 2175632356 UFIMKLVJYZEHTR-CQSZACIVSA-N 310.532 5.088 30 10 DKEE CCCCCCCCCCN1CCCC[C@H]1P(C)(C)=O 2195688561 SSPJMSYKNMSLSI-QGZVFWFLSA-N 301.455 5.562 30 10 DKEE CCCCCCCCCN1CCCC[C@@]1(C)P(C)(C)=O 2205219844 KRXKGJVMUWQAKT-QGZVFWFLSA-N 301.455 5.562 30 10 DKEE C=C([C@@H](Cc1cccc(Cl)c1Cl)NCCC)C(C)(C)C 2235755503 DPTCSOFAXCPDIF-OAHLLOKOSA-N 314.300 5.506 30 10 DKEE C=CCN(CCCCCCCCCCCO)Cc1ccccc1 2244424129 GLXXGSJTGOJIDG-UHFFFAOYSA-N 317.517 5.178 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cocc1Br 2259236729 GAQYYRARUZJWAF-OAHLLOKOSA-N 314.267 5.219 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1OC 2264363319 SXUMCYCGKPPUOF-AWEZNQCLSA-N 304.261 5.362 30 10 DKEE C=C(c1ccccc1)[C@H](NC)c1cc(Cl)c(Cl)cc1C 2286520192 RTBPRLNJSZIRFC-KRWDZBQOSA-N 306.236 5.276 30 10 DKEE C=C(C)CCCC[C@H](OCCC(=O)O)c1csc(Cl)c1 2291767168 MBKSPLYYMJBCHX-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(C)c(Br)c1 2321116075 IDVFCXNXPQNWPB-JKSUJKDBSA-N 310.279 5.010 30 10 DKEE C=C(Br)CCOC[C@@H](c1ccccc1)C1CCCC1 2342597312 XZSVBQLWJZVNCZ-KRWDZBQOSA-N 323.274 5.276 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1C 2364413259 XWPSSIFKMYWETQ-INIZCTEOSA-N 316.316 6.442 30 10 DKEE CC(C)n1cc(C(=O)/C=C/c2ccc(-c3ccccc3)s2)cn1 58465339 LLTIUIMCULSSAK-CSKARUKUSA-N 322.433 5.089 30 10 DKEE C=CCc1cc([C@@H](C)CC)cc(C=O)c1OCc1ccccc1 66117845 WDSDUACKLFDZBG-INIZCTEOSA-N 308.421 5.320 30 10 DKEE CCCCCCC[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1 109760265 PRFOYDUYPPISDE-ZIAGYGMSSA-N 316.316 6.393 30 10 DKEE CCCCCCCCCCOc1ccccc1Br 113069735 SITNPEBBKCWZEM-UHFFFAOYSA-N 313.279 5.969 30 10 DKEE CCCCCCCCCCNc1nc2c(C)cccc2s1 129445632 MSYSQGLVADTTJM-UHFFFAOYSA-N 304.503 6.157 30 10 DKEE CC(C)(C)C1CCC([C@@H](C#N)Nc2ccccc2Cl)CC1 130049888 TWOBEEIVXCYFGB-MQBCKMQZSA-N 304.865 5.497 30 10 DKEE CCCCCCCCCCCCO[C@H]1C=CC(=O)[C@H](CCC)O1 137028933 LALSNNOSDGXQEX-VQTJNVASSA-N 324.505 5.574 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H]1CSc2ccccc21 139397182 ITCDFONTYNBCRQ-ZWKOTPCHSA-N 305.531 5.605 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(Cl)ccc1Cl 162322621 NUICPNAHUSLGMX-QGZVFWFLSA-N 316.316 6.524 30 10 DKEE CCCCCCC[C@H](Cc1cccc(Cl)c1F)NCCC 212489837 BLMWCLFNMQGFIL-MRXNPFEDSA-N 313.888 5.750 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(C(C)C)cc2)C1 222247497 PPODESDLAOGLOD-AYBZRNKSSA-N 301.499 6.011 30 10 DKEE C=CC(C)(C)CN[C@@H](c1cccs1)c1ccc(Cl)s1 384860379 ODVSKNWVYOVHRD-AWEZNQCLSA-N 311.903 5.354 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2sc(Cl)cc21 692237960 BERMLKWPTJNSSA-VHDGCEQUSA-N 309.906 5.503 30 10 DKEE Cc1cc(C)cc(-n2c(C)cc(C=Nc3ccccc3)c2C)c1 1083889692 AMPHKCIJJZVSMK-UHFFFAOYSA-N 302.421 5.462 30 10 DKEE Fc1cccc(-c2cc(C(F)F)cc(C(F)(F)F)c2)c1F 1848363095 QCSYXKOQCMOXLP-UHFFFAOYSA-N 308.196 5.588 30 10 DKEE Cc1c(Cl)cccc1Nc1nccc(-c2ccccc2)c1C#N 1859839121 RBYOTFGPMAGDOS-UHFFFAOYSA-N 319.795 5.326 30 10 DKEE Cc1ccc(Nc2ccccc2Nc2nccc(C)c2C#N)cc1 1859859064 YIFZQRZZFHCWSV-UHFFFAOYSA-N 314.392 5.057 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(F)c(Cl)c1 1892438911 GYQANNCNPXKWLC-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](C)CC(C)(C)C 1922114715 AOQUQDHOYXEQNL-YLJYHZDGSA-N 317.517 5.200 30 10 DKEE C=C([C@H](NCC)c1ccc(OCc2ccccc2)cc1)C(C)(C)C 1947453722 OFYXCYFCEPCCGN-NRFANRHFSA-N 323.480 5.519 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccnn1Cc1ccccc1 1994401881 RIKFRYAKPAYYCV-LJQANCHMSA-N 313.489 5.072 30 10 DKEE C=CCC[C@@H](C)N[C@H](C)c1ccc(Br)cc1Cl 2002056912 KFSBLXMVIMSKIN-GHMZBOCLSA-N 316.670 5.108 30 10 DKEE C=CCCCC[C@@](C)(O)c1ccc(Br)cc1Cl 2009523377 MNSRGNGTKIGFAK-CQSZACIVSA-N 317.654 5.056 30 10 DKEE C=CCCCCC[C@@](N)(CC)c1cccc(Br)c1 2037102825 FFXNMJGAWCAECL-INIZCTEOSA-N 310.279 5.150 30 10 DKEE CCCCCCCC(=O)c1c(Cl)ccc(Cl)c1Cl 2045580298 SVMACNXQAZJYPR-UHFFFAOYSA-N 307.648 6.190 30 10 DKEE CCOc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)F 2060220079 NFVZDKMULBXULR-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE C#CC[C@H](C)C[C@H](NCCC)c1scc(Cl)c1Cl 2076091503 JFDSJQBVLNVLFO-JQWIXIFHSA-N 304.286 5.145 30 10 DKEE Cc1cc(OCC#CC2CCCCC2)cc(C)c1Br 2093461594 CPAAHMSWDYTPPB-UHFFFAOYSA-N 321.258 5.028 30 10 DKEE CC(C)(C)C#CCOc1ccc2ccc(Br)cc2c1 2142503399 WEIGDCXFZVHZOG-UHFFFAOYSA-N 317.226 5.031 30 10 DKEE CCCCCCCCNCc1csc(-c2ccsc2)n1 2144694273 GNCWVPAPWTZGQR-UHFFFAOYSA-N 308.516 5.322 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2158320374 LFMSCKGLRYBBLD-GUYCJALGSA-N 314.300 5.506 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(-c2ccc(F)cc2)s1 2164107600 MRGOVGQKTYDYAS-AWEZNQCLSA-N 309.837 5.347 30 10 DKEE CP(C)(=O)[C@@H]1CCCCN1CCCCCCCCCS 2164595885 MRLOUHGILYZHOP-MRXNPFEDSA-N 319.495 5.082 30 10 DKEE CCCC(CS)(CCC)CN1CCCc2sccc2C1 2170324199 IVBFWRHMXAGFQJ-UHFFFAOYSA-N 311.560 5.013 30 10 DKEE C=C(C)CCCCC(=O)c1sc(Br)cc1C 2244626987 NCMGIOBKTQXOSJ-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE CC(C)(C)C#CC=CCC(=O)c1cc(Cl)c(Cl)s1 2256707675 YGXLPEOQJCNESO-UHFFFAOYSA-N 301.238 5.233 30 10 DKEE CCCCCCC[C@@H]1CCC[C@H](C(F)(F)C(F)(F)F)N1 2286755175 KTDHYBPUJZMULK-VXGBXAGGSA-N 301.343 5.055 30 10 DKEE C=CCCCCCCCSc1ncnc(Cl)c1CCC 2287064656 FLFILMLYWQHJBA-UHFFFAOYSA-N 312.910 5.701 30 10 DKEE C=CCCCCCCCSCCCC(C)(C)C(=N)NO 2287097234 TWHFQAGRIDZBEG-UHFFFAOYSA-N 300.512 5.009 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 2287472318 JIDQGIREEVWWHR-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE c1ccc(N=C2SC(=NC3CCCC3)C3=C2CCCC3)cc1 2297463431 IXUZGNMUJYCDGP-UHFFFAOYSA-N 310.466 5.675 30 10 DKEE C(=N[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccccc1 2297470844 VSYWKRJCCHEEMI-DEOSSOPVSA-N 321.423 6.048 30 10 DKEE Cc1cccn2c(N=Nc3ccccc3C#N)c(C(C)(C)C)nc12 2320767272 AYHHCBHTYXJKAZ-UHFFFAOYSA-N 317.396 5.227 30 10 DKEE C=CCN(CC=C)N=Nc1cc(C(F)(F)F)ccc1Cl 2330196851 MNLKWGFOMLFGGE-UHFFFAOYSA-N 303.715 5.032 30 10 DKEE CCCCCCC[C@@H](NN)c1c(Cl)cc(C)cc1Cl 2352866325 GYRCUISKIYNFOQ-CQSZACIVSA-N 303.277 5.167 30 10 DKEE CCCCCCCCC[C@H](N)c1csc(C(C)(C)F)n1 2367900929 NOFWILLGUXAROX-ZDUSSCGKSA-N 300.487 5.488 30 10 DKEE CCc1ccc(/C=N\Cc2c(Cl)cccc2-n2cccc2)cc1 4054822 NMWYLUUUBRITFB-HMAPJEAMSA-N 322.839 5.312 30 10 DKEE CCCCCCCCSCc1cccc(C(C)(C)C)c1O 100000995 IAZOPZLJCJYCOL-UHFFFAOYSA-N 308.531 6.283 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(OC(C)C)c(Cl)c1 109886260 SKYOXFAXTJOZHH-OAHLLOKOSA-N 311.897 6.288 30 10 DKEE CCCCCCCO[C@H](CNCCC)c1ccc(Cl)cc1 110067950 UUHYHFLGZHHSHJ-GOSISDBHSA-N 311.897 5.368 30 10 DKEE CCCCCCC[C@@H](C)NCc1cc(Br)cs1 112722332 RBFNOGOUEBXBAT-GFCCVEGCSA-N 318.324 5.349 30 10 DKEE Cc1cc(Cl)ccc1Nc1cc(Br)ccc1C#N 123094028 NTDJMRWSHFZEOS-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Cl)c(Br)c1 135363769 ZBUYRPRDXYFIOK-CQSZACIVSA-N 318.686 5.463 30 10 DKEE CCCCCCCCC[C@@H]1C[C@@H]1C[C@H]1C[C@@H]1CCCC(=O)OC 263588975 BEUIOIYFOPNKNN-IYWMVGAKSA-N 322.533 6.133 30 10 DKEE C[C@H](Nc1ccc(C#N)c(F)c1)c1cccc(Cl)c1Cl 308056553 UVFWVPNTOHQXJU-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCC[C@H](C)[C@@H](O)CCCC(=O)O 334161616 CVBGKXNGRXLHHT-IRXDYDNUSA-N 300.483 5.159 30 10 DKEE C#CCCCCC[C@H](NCCC)c1c(Cl)cccc1Cl 686698151 ZEUBEXNEBMEJNJ-INIZCTEOSA-N 312.284 5.618 30 10 DKEE CN(Cc1cc2cscc2s1)c1cccc(Cl)c1C#N 693986440 SAVRUGKMYYLTAK-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE CCCCCCCCCC[C@H](O)CCNCc1ccccc1 696369882 GAFAIXYEGBJLGL-FQEVSTJZSA-N 305.506 5.058 30 10 DKEE CCCCCCCC[C@@H](NN)c1csc(C(F)(F)F)c1 703192815 FYYRIMATTSMGJC-GFCCVEGCSA-N 308.413 5.022 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cccc(C(F)(F)F)c1F 710498442 ZIPQCTKOPWOAGV-LBPRGKRZSA-N 309.734 5.028 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(CNC(C)(C)C)c(C)c1 1914934999 WPVXBVARICELGQ-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1cccc(C#N)c1 1915370585 WEOFQASWSOWDOB-MRXNPFEDSA-N 318.445 5.388 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(C)c(Br)s1 2009481746 LGPCKUKBUGUYKQ-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE O=C1C(=C(O)C=Cc2ccc(Cl)cc2)Sc2ccccc21 2059843782 IOFNIXBELJPMKT-UHFFFAOYSA-N 314.793 5.111 30 10 DKEE C=CCCCCCC[C@@H](NN)c1cc(Cl)sc1Cl 2085845095 SPXVYADWIBJXLZ-LLVKDONJSA-N 307.290 5.086 30 10 DKEE CCCCCCC[C@@H](O)c1cc(F)c(Br)c(F)c1 2086133641 SQBNWZDVWTZFLP-CYBMUJFWSA-N 321.205 5.121 30 10 DKEE CCCC(CS)(CCC)COc1ccc2sccc2c1 2144361618 UFDWIGCTPAOFMA-UHFFFAOYSA-N 308.512 5.797 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164194869 GQARMTMHSMUEEG-OAHLLOKOSA-N 305.512 5.874 30 10 DKEE CCCCCC#CC[C@@H](NCCC)c1scc(C)c1Cl 2203807433 NBGPXMVXNVZVAB-OAHLLOKOSA-N 311.922 5.724 30 10 DKEE CCCCCCC[C@](C)(O)c1c(Cl)ccc(Cl)c1OC 2204249338 XEHRBOQPWADVJY-INIZCTEOSA-N 319.272 5.570 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](N)c1c(Cl)cccc1Cl 2205692772 XUVGCZJZUFOBKK-CVEARBPZSA-N 318.288 5.105 30 10 DKEE CCCCCCCC[C@H](C)NCc1cc(Cl)sc1Cl 2231929388 LMEXYUGZNOCQNX-LBPRGKRZSA-N 322.345 6.284 30 10 DKEE C=CCCCCCCC[C@H](NC)c1c(Cl)cccc1Cl 2235526164 IKQXCSITTRPZMD-INIZCTEOSA-N 314.300 6.171 30 10 DKEE C=C([C@H](NC)c1ccc(Cl)c(C(F)(F)F)c1)[Si](C)(C)C 2236311435 ZZKWGXDCTRRRLS-ZDUSSCGKSA-N 321.846 5.053 30 10 DKEE CCCCCCCC(=O)c1scc(Br)c1Cl 2242690933 IMBMQPCTYDROOX-UHFFFAOYSA-N 323.683 5.707 30 10 DKEE C=CCCCSC[C@@H](NCC)c1cccc(Cl)c1Cl 2271488864 GVDKZUBYAMOGGZ-CQSZACIVSA-N 318.313 5.343 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCCC)c1cc(C)cc(Cl)c1 2360208480 PFHFAQMGWAYDSV-PBHICJAKSA-N 311.922 5.387 30 10 DKEE C=CCC(CC=C)O[C@H](C)C(=O)c1ccc(Cl)cc1Cl 2360214658 KXHIAYGAFQZHEC-LLVKDONJSA-N 313.224 5.102 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1NCCCc1cc(Cl)cc(Cl)c1 2366831815 BKMMNRXRJVNDLL-PBHICJAKSA-N 312.284 5.260 30 10 DKEE CCN(CC)c1ccc(/C=C2\CC[C@H](C3CCCC3)C2=O)cc1 3895458 MEWRVUFQFLRCIY-PHKMIBKXSA-N 311.469 5.086 30 10 DKEE O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCc2ccccc21 20034325 SNTMETDIRCPREC-UKTHLTGXSA-N 303.188 5.206 30 10 DKEE O=C(/C=C\c1ccc(-c2cccc(Cl)c2)o1)c1cccs1 33406210 YUDCWXUALNODNN-VURMDHGXSA-N 314.793 5.558 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 36930828 GWJZOOFGQPXDQA-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(Br)cs2)C1 87973058 IBERIYXDOXPXJM-RISCZKNCSA-N 312.276 5.163 30 10 DKEE FC(F)(F)c1ccc(OCC2(CS)CCCCCC2)cc1 94582280 BJEGFBOMTBJHLH-UHFFFAOYSA-N 318.404 5.355 30 10 DKEE CCCC(CS)(CCC)COc1ccc(C)cc1Cl 94585135 LRQLFQJOACBCTI-UHFFFAOYSA-N 300.895 5.544 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)c1ccc(C#N)c(Cl)c1 110258500 GWNQHLWVYQUMNF-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCCC[C@@H](O)c1occc1Br 122403727 XUMHEQJVXPSPLF-CYBMUJFWSA-N 303.240 5.216 30 10 DKEE CCCCCCCCNc1cc(Cl)ccc1Br 131707271 HLHVGQFVQHKQOC-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE CCCCCCC[C@@H](NCC)[C@H](C)Oc1cccc(Cl)c1 139551709 OYIATXNAPUOVFP-MAUKXSAKSA-N 311.897 5.446 30 10 DKEE C=C(C)CCN1CC[C@](C)(C[Si](C)(C)C)c2ccccc21 195800320 JMVYHPYUXVQLAH-LJQANCHMSA-N 301.550 5.459 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 233607421 AXQMUROARYIVSV-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE C=C1CC[C@@H]2[C@]3(C)C[C@@H]3CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O 238755304 PCLDEDSUWNZZDJ-WAKWZFOWSA-N 302.458 5.206 30 10 DKEE biogenic Clc1ccccc1C=Nc1ccc(Nc2ccccc2)cc1 254750257 JWLQLMOPCCZFPF-UHFFFAOYSA-N 306.796 5.834 30 10 DKEE Oc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1 257351031 BSQYVBPZXIHZNN-UHFFFAOYSA-N 301.349 5.558 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCC[C@H](C)C1 314176207 LVSKCRSXYZOFEK-LRDDRELGSA-N 306.247 5.020 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1cc(Cl)c(Cl)cc1Cl 695820666 XBRYJQCIMIPAOX-QMMMGPOBSA-N 305.636 5.387 30 10 DKEE CC[C@H]1CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698375736 JVWXZHPHCVUZAX-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CC(C)C1CCC(C#N)(C[C@H](C)COCc2ccccc2)CC1 719614492 BCZZHPAHBARLIQ-PELRDEGISA-N 313.485 5.586 30 10 DKEE FC(F)c1sc2c(C(F)(F)F)cccc2c1C(F)(F)F 725324446 ICCSANOUWPTKTA-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE CCCCCCCCCCCC(=O)NC[C@H](C)c1ccncc1 1865985023 VVTDQUGKZGETLW-SFHVURJKSA-N 318.505 5.222 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)C[C@](C)(CS)C(C)(C)C 1893644898 TXERPUUFVCXNRP-QFBILLFUSA-N 307.547 5.269 30 10 DKEE C=C(COCc1ccccc1)C(=O)C1CC(C)(C)CC(C)(C)C1 1922063111 RHCRVIOYWGOSCG-UHFFFAOYSA-N 314.469 5.181 30 10 DKEE C[C@H](N(CCCCCCS)Cc1ccccc1)C(C)(C)C 1931997915 FLNPFAMPVVURLO-KRWDZBQOSA-N 307.547 5.413 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCCC1(C)C 2032105711 VXMPBPVOOWEETM-INIZCTEOSA-N 306.247 5.020 30 10 DKEE CCCC#CC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2083434948 WXOYANXVLDHWCC-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE CCCCCCCCOC[C@@H](NC)c1ccc(Cl)s1 2089269045 LVRHOCMQJIWLEY-CYBMUJFWSA-N 303.899 5.039 30 10 DKEE C=CCC[C@H](C)[C@H](O)c1ccc2cc(Br)ccc2c1 2102098660 SDVKZBOIOQJWTM-SJCJKPOMSA-N 319.242 5.238 30 10 DKEE CCCCCCCCC[C@@H](O)c1csc(C(F)(F)F)n1 2144134312 KSEJWMTYNGLILT-GFCCVEGCSA-N 309.397 5.336 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1)c1cc(Cl)c(Cl)s1 2156103464 IFPVQVRXAHMKHH-AWEZNQCLSA-N 324.276 5.147 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(C(F)F)cs1 2161267802 CJDPKBGPGVZRAY-CQSZACIVSA-N 303.462 6.087 30 10 DKEE CCN[C@@H](C#C[Si](C)(C)C)c1cc(-c2cccs2)cs1 2164125832 VRQYOOCILZXHBQ-AWEZNQCLSA-N 319.571 5.008 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ncc(C(F)F)s1 2164491537 IEZWREZYKAQDGK-GFCCVEGCSA-N 304.450 5.611 30 10 DKEE C=CC1(C[C@@H](N)c2cc(C(F)(F)F)ccc2Cl)CCC1 2168029772 ZKZXSXMJJAIDSF-CYBMUJFWSA-N 303.755 5.105 30 10 DKEE CCCC(CS)(CCC)CN1CC[C@@H](c2cccs2)C1 2179853526 IWQONGBXQDMCTC-OAHLLOKOSA-N 311.560 5.054 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(Cl)c(OC)c1F 2203419013 ZIIBASYNFXDSKQ-MRXNPFEDSA-N 302.817 5.056 30 10 DKEE N#C[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCC2(CCCC2)C1 2234060013 XMMWLAODIZDEBE-WFASDCNBSA-N 308.252 5.961 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1cc(C)c(Cl)s1 2235518838 KKPKIIJXLFKRHM-HNNXBMFYSA-N 313.938 6.277 30 10 DKEE CCCCCCCCCOc1ccc(F)c(Cl)c1C=O 2239468605 PQKKANRUGRLCPB-UHFFFAOYSA-N 300.801 5.421 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1scc(Cl)c1Cl 2259193680 FRWYVDQPEYKDRP-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE Cc1cc(NCc2cc(Cl)c(Cl)s2)cc(C)c1C#N 2265852186 PKFCXYSXZULXCT-UHFFFAOYSA-N 311.237 5.156 30 10 DKEE CC[C@H](C)[C@@H]1CSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277454068 JTOJUUAAPJGSRL-SDBXPKJASA-N 317.285 5.040 30 10 DKEE CCCC[C@H](CC)CSCC(CS)(CCC)CCC 2278360057 MFMDMEFVKGASAJ-INIZCTEOSA-N 304.609 6.452 30 10 DKEE N#Cc1cc(F)c(Cl)cc1SC[C@@H]1CCCCC1(F)F 2283213349 GKXCATTVABTPDX-JTQLQIEISA-N 319.779 5.268 30 10 DKEE C=C(C)CCCC[C@H](OCCC(=O)O)c1sccc1Cl 2292731831 SGNFQXLCRJBIPW-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE Cn1c2ccccc2c2cc(C=CC(=O)c3cccs3)ccc21 2293058025 XLIOWNQLMHXRCM-UHFFFAOYSA-N 317.413 5.289 30 10 DKEE Brc1ccccc1C#CCCCC1=CCCCC1 2318572373 DGWSXNINWBVAMF-UHFFFAOYSA-N 303.243 5.471 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Br)cc1C 2321114895 ZRDWXJJPEKLMMW-HOTGVXAUSA-N 310.279 5.010 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)cc1F 2322501443 VWBBQRCCBWMSJO-UHFFFAOYSA-N 324.326 5.023 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 2330451598 IUKDXCRZTMOMIK-UHFFFAOYSA-N 309.453 5.542 30 10 DKEE Cc1ccc(CN(C)CC=CC#CC(C)(C)C)c2ccccc12 2333111991 DRWRMSGOBQMKBI-UHFFFAOYSA-N 305.465 5.186 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(Cl)cc1Cl 2344373675 BWKIBVYRWJOJJI-JKSUJKDBSA-N 300.273 5.636 30 10 DKEE C=C1CCC(CNCCCc2cc(Cl)cc(Cl)c2)CC1 2366879521 BQLWEPRUZRJTGC-UHFFFAOYSA-N 312.284 5.262 30 10 DKEE CCSc1ccc(C)cc1C(=O)/C=C/c1ccc(Cl)cc1 83193172 STRKTFIQIGVJCT-JXMROGBWSA-N 316.853 5.657 30 10 DKEE COc1ccccc1/C=C/C(=O)c1ccc(Cl)c2ccccc12 96887608 GSBMXQPKVJFWAX-JLHYYAGUSA-N 322.791 5.398 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NN 125927630 BCTVWTSRBAVKCZ-AWEZNQCLSA-N 317.304 5.118 30 10 DKEE COc1ccc(C#N)cc1CSc1cc(Cl)ccc1Cl 130975339 AGEAFXSYHCHVPV-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE CCCCCCCCCCNc1cc(Cl)nnc1Cl 149305118 LZSMIEIPBQHLMC-UHFFFAOYSA-N 304.265 5.336 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)c1cscn1 157307995 IPGKVWUKAOWMDY-KRWDZBQOSA-N 310.551 6.105 30 10 DKEE CCCCCCCCCOc1ccc(/C=N/NC)c(Cl)c1 169881443 SASVZCKHISSZRL-XSFVSMFZSA-N 310.869 5.023 30 10 DKEE CC[C@H]1CCC[C@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227037758 SKSQOUXTPRONSY-OWQGQXMQSA-N 305.487 5.189 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(Cl)c(OC)c1 229771570 XFTMEDBRNCBMQS-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE CCCCCCCCCCN[C@@H](C)CN(C)Cc1ccccc1 309799746 JQVXRXSVIWNSKC-FQEVSTJZSA-N 318.549 5.237 30 10 DKEE CCCCCCCCCNCC[C@H](C)N(C)Cc1ccccc1 379639072 VLVNTGKWEKOBHC-FQEVSTJZSA-N 318.549 5.237 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)cc(Cl)c1)C(F)(F)F 382316086 PJDGJOCPJNCKOB-GFCCVEGCSA-N 312.162 5.153 30 10 DKEE CCCCCCC[C@@H](Cc1ccsc1Cl)NCCC 687926995 QUKREKXGSPISNG-HNNXBMFYSA-N 301.927 5.673 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1n1c(S)nc2c(Cl)cccc21 692191120 NVFGWHUHNVUUNB-AAEUAGOBSA-N 306.862 5.286 30 10 DKEE C=CC[C@H](C)c1c(O)c(Cl)cc(Br)c1Cl 715708820 ISBYEPZKYYOPKJ-LURJTMIESA-N 310.018 5.141 30 10 DKEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 715751266 YNSFADRSTKKJMK-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@H](O)CCc1cc(Cl)cc(Cl)c1 722109201 IEYBGEHMUPKUQW-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cc(Cl)sc2Cl)CC1 1883039642 ONEBTIKJTFFNTI-OAHLLOKOSA-N 319.297 5.773 30 10 DKEE CCCCCCC[C@](C)(O)c1cscc1Br 1919892671 ITZGDNQJFDIRDV-ZDUSSCGKSA-N 305.281 5.079 30 10 DKEE C=CCCCC[C@@H](NC)c1ccccc1OCc1ccccc1 1984522169 QWBKDIXDBBDDDC-HXUWFJFHSA-N 309.453 5.273 30 10 DKEE C=CCCN(CCCCCCNC(C)(C)C)Cc1ccccc1 1986881981 CQQSGDGQLFHKEY-UHFFFAOYSA-N 316.533 5.013 30 10 DKEE CC[C@@](C=O)(CN(Cc1ccccc1)C1CCCCC1)C(C)C 1988764827 OPPODGSUEWIQKH-NRFANRHFSA-N 315.501 5.073 30 10 DKEE C=CCCCCCCNc1ccccc1OCc1ccccc1 1995168698 HKWVBOYGWMTOCT-UHFFFAOYSA-N 309.453 5.814 30 10 DKEE C=CCC[C@H](N)c1ccc(-c2cccc(Br)c2)s1 2045619109 CCUIGYUDGLUCGL-ZDUSSCGKSA-N 322.271 5.144 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1cccc(C(C)C)c1 2070123616 NORSOISMTPTANL-QGZVFWFLSA-N 320.480 5.645 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1cc(Cl)c(Cl)s1 2117028177 ZOBOPLGHBFKTAL-RISCZKNCSA-N 318.269 5.198 30 10 DKEE C=CC[C@](C)(N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(F)F 2125764617 XTFSPVGJGIEAFB-XPTSAGLGSA-N 308.199 5.244 30 10 DKEE CCCCC#CC[C@H](NCCC)c1ccc(Br)cc1 2138957947 BSQUOJLJEJAUQE-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=CCC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2139388876 GMIMANQNLVVHSA-CYBMUJFWSA-N 302.245 5.009 30 10 DKEE C=C1CC([C@@H](NCCC)c2c(Cl)ccc(Cl)c2F)C1 2139392901 HRJIMMDLOMVJHF-OAHLLOKOSA-N 302.220 5.139 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Cl)ccc1Cl 2141910428 YSZXZNMPYIXPKY-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1scc(Cl)c1Cl 2141921165 ZVDALSREFJHHDI-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE CCSc1ccccc1Nc1cccc(SC)c1C#N 2158454338 NVFMVZDZIIISAV-UHFFFAOYSA-N 300.452 5.136 30 10 DKEE C=C1CC(CNC(C)(C)C)(Cc2ccc(Cl)c(Cl)c2)C1 2159583709 IVBKJPIXDJSXGN-UHFFFAOYSA-N 312.284 5.260 30 10 DKEE CCCCCCCCCC[C@@H](CC(C)(C)SC)NCC 2164234897 BMYREEORNDSYOB-KRWDZBQOSA-N 301.584 6.027 30 10 DKEE C=CC1(C[C@@H](N)c2ccc(SC(F)(F)F)cc2)CCC1 2168028428 MILMPQMKTIIFJW-CYBMUJFWSA-N 301.377 5.045 30 10 DKEE C=CC1(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)CCCC1 2189518116 ORWOGRJHMVOTJX-LLVKDONJSA-N 316.247 5.530 30 10 DKEE C=CCCCCCCC[C@H](NC)c1ccc(Cl)cc1Cl 2235531601 ASXIHUKDNZTADQ-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C=CCCCOC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2238017707 HJVNYVZWRGNTOO-INIZCTEOSA-N 316.272 5.017 30 10 DKEE CCCCCCCCC[C@](C)(O)c1occc1Br 2263662070 QXJWUVAUQLRANI-HNNXBMFYSA-N 317.267 5.390 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)c(Cl)cc1OC 2264376358 DHKXRFFVYDKQFV-AWEZNQCLSA-N 305.245 5.396 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cccc(Cl)c1Cl 2271834536 GSWPBKNAWSLJQF-OAHLLOKOSA-N 300.273 5.781 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1 2287408415 IQNMWTNGNHNMAU-CQSZACIVSA-N 305.771 5.495 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)c(O)c(Cl)c1 2296279334 NYWTTXWJIRDNJJ-OAHLLOKOSA-N 316.272 5.616 30 10 DKEE C=CCC(CC=C)Sc1nc(Cl)c(Cl)cc1Cl 2298888073 FDSJAWGKGVCXRP-UHFFFAOYSA-N 308.661 5.655 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)c(Cl)c1OC 2344472793 DPAFMTLPCMHTMH-GJZGRUSLSA-N 303.229 5.028 30 10 DKEE C#Cc1cccc(N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1 37185204 FBBBWKQRYIUWNP-JTQLQIEISA-N 308.183 5.287 30 10 DKEE CCCCCCCCCCCCCCONc1ccccc1 142424567 OTIVLGJBKUFOEX-UHFFFAOYSA-N 305.506 6.731 30 10 DKEE CCCCCCCCCCCCN[C@H](C)CCSCC 160147894 XORDDHVIDOQEPI-GOSISDBHSA-N 301.584 6.029 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(C)s1)[C@H]1CC=C[C@@H]21 226657166 AZXFEKFCTPYYHC-UVFQYZLESA-N 323.461 5.448 30 10 DKEE C=CCC[C@H](C)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 228824442 OUJYOQJXLRZCEU-QMMMGPOBSA-N 310.171 5.361 30 10 DKEE CC(C)C1CCC(C=O)(Cc2ccccc2Br)CC1 317631410 WGGOVOIFLWBESM-UHFFFAOYSA-N 323.274 5.023 30 10 DKEE CCCCCCCCCC[C@@H](O)c1coc(Br)c1 378987865 ZEXTXZPHHPZXGB-CQSZACIVSA-N 317.267 5.606 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1csc(Cl)c1 378991848 KFJDODCILNXMHC-MRXNPFEDSA-N 316.938 6.746 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)C2CC2)C1 384352602 CJRXGERYZGRVBI-SFHLNBCPSA-N 324.512 5.396 30 10 DKEE SCCCCCCOc1cccc(OCc2ccccc2)c1 399259172 KQSHKTBUSOAWIF-UHFFFAOYSA-N 316.466 5.135 30 10 DKEE CCCCCCCCCCC(=O)CCNCc1ccccc1 692516761 SZVPOCGDNGSGQN-UHFFFAOYSA-N 303.490 5.266 30 10 DKEE C[C@H](Nc1ccc(Cl)cc1C#N)c1c(F)cccc1Cl 695767151 CHJWVHIOBHYIFM-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(F)cc3Br)C[C@@H](C1)C2 697304297 JSQJXUHXCGHPRR-ONXXMXGDSA-N 324.237 5.135 30 10 DKEE C=C(CC)C[C@@H](NCC)c1c(Cl)cccc1C(F)(F)F 712579593 GRKJZNFODBBIFP-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE C=C1CCC(CNc2nc(Cl)c(Cl)cc2Cl)CC1 724446154 CMVIXOVBACRPDL-UHFFFAOYSA-N 305.636 5.200 30 10 DKEE c1ccc(/C(=N/OCc2cccc3ccccc23)C2CC2)cc1 821226086 CDJZLJDWYUAAON-DQRAZIAOSA-N 301.389 5.171 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCCC(C)(C)C1 1980286142 LSDWMLAYKXWATQ-KXBFYZLASA-N 322.493 5.132 30 10 DKEE CCCCCCCOc1cc(Cl)c(Br)cc1N 1997536918 VEKNCUZUKORDGG-UHFFFAOYSA-N 320.658 5.034 30 10 DKEE C=C(CC)C[C@H](NC)c1cc(Cl)c(C)c(Br)c1 2002243278 YKIPNZJFBRRTPI-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE CC1(C)CC(C)(C)CC(C=O)(CC/C=C/Br)C1 2004034877 MNKYGUUMSONHBX-SOFGYWHQSA-N 301.268 5.097 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccsc1Br 2009484513 MIVVQVJIVFROCE-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE C=CCCCCCN(C)[C@H](C)c1cscc1Br 2013633468 CZFSIHNQWMIPSE-GFCCVEGCSA-N 316.308 5.250 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Br)oc1C 2085848816 FEEGOUZGJSTVEH-CQSZACIVSA-N 314.267 5.138 30 10 DKEE C=C1CCC(C[C@@H](N)c2ccc(C)c(Br)c2C)CC1 2098445736 RARIJMQVDDYXNC-MRXNPFEDSA-N 322.290 5.202 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccncc1Cl 2176603426 KMGTZECIOFBPMD-LBPRGKRZSA-N 304.846 5.186 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1scc(C)c1Cl 2206902679 MCZWBJSBAIQHFC-HNNXBMFYSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCCC(=O)c1sncc1Br 2214621797 LCMOXKBYUSOZMF-UHFFFAOYSA-N 316.264 5.005 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1cc(Cl)sc1Cl 2223557357 LHNUIRVVFZMIFO-QWRGUYRKSA-N 306.302 5.178 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(C)c(Cl)cc1F 2234757022 XSMHZQHNDRIBCT-MRXNPFEDSA-N 300.849 5.043 30 10 DKEE N#C[C@@H](c1cccc(Cl)c1Cl)[C@H]1CCC2(CCCC2)C1 2235756967 NHEUYOZYVHOJNU-GXTWGEPZSA-N 308.252 5.961 30 10 DKEE C=C[C@@H](CCCCC)OC[C@H](N)c1cc(Cl)cc(Cl)c1 2239510364 MIWDPFGQIQFVIN-HOTGVXAUSA-N 316.272 5.145 30 10 DKEE C=CC1(CC(=O)c2sc(Cl)cc2Br)CCC1 2244960737 OTRAICLPWQKRCV-UHFFFAOYSA-N 319.651 5.093 30 10 DKEE CCCCCCCCCC(=O)c1cnc(C(C)(F)F)s1 2289250030 XZAATHIJQREHQE-UHFFFAOYSA-N 303.418 5.578 30 10 DKEE CCCOc1cc(C)c(C(=O)C=Cc2cccs2)cc1C 2295967928 LUGKUVYZHMKZAQ-UHFFFAOYSA-N 300.423 5.050 30 10 DKEE CCOc1ccc(C(=O)C=Cc2ccccc2)c2ccccc12 2295968056 YGDDLTDUQMXSDR-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE CCCCCC[C@H](C)OCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2301955768 MHSLTEMDJYQLEX-INIZCTEOSA-N 324.314 5.330 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@H](C)c1cccc(OC2CC2)c1 2303236581 AVHUYNIZJBTASW-GOSISDBHSA-N 321.464 5.367 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2325243156 BRQJGNZBQIYLNU-ZDUSSCGKSA-N 310.627 5.316 30 10 DKEE C=CCN(CC=C)N=Nc1ccc(C(F)(F)F)cc1Cl 2330186261 YANYBQYWVXEICW-UHFFFAOYSA-N 303.715 5.032 30 10 DKEE CC#CCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364403882 AMCLGNDMZZCRAM-MRXNPFEDSA-N 312.284 5.536 30 10 DKEE CCc1ccc(/C=C2\CC/C(=C\c3ccc(CC)cc3)C2=O)cc1 3895161 JVJMHUCDTNTGGY-YHARCJFQSA-N 316.444 5.641 30 10 DKEE C[C@H]1CC[C@H](C#N)[C@H](Sc2cc(Cl)ccc2Cl)C1 37154534 GNEPHALWVMFELB-OPQQBVKSSA-N 300.254 5.414 30 10 DKEE CCCCCCCCCN(CC(C)C)c1ccc(OC)cc1 52996771 PIDUOIQJFKGYFO-UHFFFAOYSA-N 305.506 5.908 30 10 DKEE C[C@@H]1CCc2ccccc2N1CCCCCCCCCS 97799185 JMUAIISQQHNTFH-QGZVFWFLSA-N 305.531 5.488 30 10 DKEE CCCCCCCCCNCc1ccccc1C(F)(F)F 105839634 ZPWRIRQZUQVNDM-UHFFFAOYSA-N 301.396 5.546 30 10 DKEE CCCCCCCCCCNc1cc(Cl)cc(Cl)c1 110156154 QSTDUUYBDDNPII-UHFFFAOYSA-N 302.289 6.546 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2cccc(Cl)c2)C1 110265550 VRGWNYUDHWRVFQ-KJGCVMFHSA-N 304.865 5.051 30 10 DKEE N#Cc1ccc(Cl)cc1N[C@H]1CCc2sc(Cl)cc21 129532885 CVXCNQYMYFRXBL-NSHDSACASA-N 309.221 5.026 30 10 DKEE CC/C=C/C/C=C/C[C@@H]1O[C@@H]1CCCCCCCCCCC 136370736 HQCGSJRACGWHOF-AITLNAOHSA-N 306.534 6.977 30 10 DKEE CCCCCCCCCCCCO[C@@H]1C=CC(=O)[C@H](CCC)O1 137028896 LALSNNOSDGXQEX-PMACEKPBSA-N 324.505 5.574 30 10 DKEE CCCCCCCC(=O)c1cc(C(F)(F)F)ccc1Cl 138374350 QRWLLVCFBJFHMF-UHFFFAOYSA-N 306.755 5.902 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl 236055508 WMZISNOLXYKVGO-CQSZACIVSA-N 311.599 5.324 30 10 DKEE C[C@H](N[C@H]1CCCCC[C@H]1C#N)c1ccc(Cl)cc1Cl 251570256 UOHSKFPKPXURTI-MKBNYLNASA-N 311.256 5.116 30 10 DKEE CCc1ccc(-n2c(C)cc(C=Nc3ccccc3O)c2C)cc1 254294410 YUMUIUNEYJWEQR-UHFFFAOYSA-N 318.420 5.113 30 10 DKEE CCCCCCCCCCC[C@H](N)c1ccsc1Cl 312542998 VOMZGLJCRLLLJZ-HNNXBMFYSA-N 301.927 6.322 30 10 DKEE Cc1ccc(C#N)c(Oc2ccc(Br)c(Cl)c2)c1 313507664 MCWPCMIAXFSEPJ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCC[C@@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 398088643 ORYVFDUMIBPXSU-SECBINFHSA-N 303.189 5.058 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](CC)c1cccc(Br)c1 398146133 BTTDUAMXVOAVDS-CJNGLKHVSA-N 310.279 5.235 30 10 DKEE N#Cc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl 514260828 AFVDWRXFMWFCFN-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C[C@@H](CC1CCCCC1)Nc1cc(Br)cc(C#N)c1 709864544 GWBOKCPXJIOWRO-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=CC[C@H](C)Oc1c(Cl)cc(Cl)cc1CNC(C)(C)C 715062498 FVHLXNJOILIMQL-NSHDSACASA-N 316.272 5.225 30 10 DKEE CC(C)(C)c1ccc(C#Cc2cccc(Br)c2)cc1 1614730508 BSGJNDQFNMQJGP-UHFFFAOYSA-N 313.238 5.146 30 10 DKEE C=CCOc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 1874629199 QPPBREDHOFJZBT-FMIVXFBMSA-N 320.432 5.381 30 10 DKEE N#CC1(Cc2sc(Cl)cc2Br)CCCCC1 1903680795 WZBGFMASJXVBLG-UHFFFAOYSA-N 318.667 5.181 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C(C)(C)CN 1915749288 HXEPYVNXODORNX-UHFFFAOYSA-N 318.549 5.367 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccccc2Cl)s1)[Si](C)(C)C 1922988730 LXTISHWXOSDVJW-INIZCTEOSA-N 322.933 5.536 30 10 DKEE C=C([C@H](NC)c1ccc(C(F)(F)F)c(Cl)c1)[Si](C)(C)C 1923004893 OBPPLCHPIHXYEN-ZDUSSCGKSA-N 321.846 5.053 30 10 DKEE C[C@H](N(Cc1ccccc1)CC1(CS)CCCC1)C(C)(C)C 1931998648 NULGVAQJWOTZJQ-KRWDZBQOSA-N 319.558 5.413 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2ccsc2Br)CC1 2010761610 CPOZOPTWQDBBPQ-SNVBAGLBSA-N 313.260 5.076 30 10 DKEE C=CC1(CN[C@@H](C)c2ccc(Br)cc2)CCCCC1 2132977772 RORHBYYJXGQGCQ-AWEZNQCLSA-N 322.290 5.236 30 10 DKEE C=CCCCCCC[C@](C)(N)c1ccc(Cl)cc1Cl 2141912718 BARDYFRRNZFTND-INIZCTEOSA-N 300.273 5.694 30 10 DKEE Cc1sc(C(=O)C=C2CCCCC2)c(C)c1Br 2213755267 IWBLABOXXMNISN-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE CCCCCCCCCOCc1sccc1Br 2216933890 NEBXOKGUJMTZQY-UHFFFAOYSA-N 319.308 5.778 30 10 DKEE C=CCCCCCCCNCc1ccsc1C(F)(F)F 2235520621 BAEDRFMQWAOJKS-UHFFFAOYSA-N 305.409 5.383 30 10 DKEE C=CCCCCCCC[C@@H](CCP(C)(C)=O)NCCC 2235525648 CGUIJJATYLBGHJ-KRWDZBQOSA-N 301.455 5.284 30 10 DKEE C#CCCCCCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 2236307162 PCWKLNGWJUGXMU-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2266801174 YLRUYRBZLGQYCS-AWEZNQCLSA-N 302.245 5.009 30 10 DKEE N#CC1(c2ccc(Br)c(F)c2)CC2(CCCCC2)C1 2271529369 DWUYOEZEUMIEFB-UHFFFAOYSA-N 322.221 5.094 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c([C@H](C)O)s1 2271590379 LDSILCISXPPHJW-NSHDSACASA-N 319.923 5.469 30 10 DKEE C=CCCCCCCCS[C@H](C)CNCc1cccs1 2287067326 CFLIPROHVHNYDR-MRXNPFEDSA-N 311.560 5.486 30 10 DKEE C=CCC[C@@H](C)[C@H](OCCCN)c1cccc(Cl)c1Cl 2293908833 DNZWFQNKIKZVEZ-WBMJQRKESA-N 316.272 5.002 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1cc(Cl)sc1Cl 2315437343 WIPSRLACMNNQTC-JFGNBEQYSA-N 304.286 5.450 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)cc(Br)c1 2321105914 UIECKMCSLRGEKF-CVEARBPZSA-N 310.279 5.010 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSc1ccc(Cl)cc1Cl 2327091140 XKPAHJJUHMOAEU-AWEZNQCLSA-N 323.354 6.068 30 10 DKEE CC(CCc1ccccc1)=NOC(=O)c1ccc(C(C)(C)C)cc1 2329926003 BGRGLXDIIFTFLV-UHFFFAOYSA-N 323.436 5.150 30 10 DKEE CC(C)[C@H](CS)COCCCc1cc(Cl)cc(Cl)c1 2341125135 RRWUSDRKXVEOGT-ZDUSSCGKSA-N 321.313 5.145 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(C)cc(Br)c1 2344382135 DYSIYWZSXOYABR-DLBZAZTESA-N 324.306 5.401 30 10 DKEE C[C@H]1CCC[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)C1 2366910002 OSEALUFEPUMRLP-SUMWQHHRSA-N 310.268 6.036 30 10 DKEE O=C[C@]1(Cc2cc(F)c(Cl)cc2Cl)CCCCC12CC2 2377402797 HWUUTZTXHMLXCR-MRXNPFEDSA-N 315.215 5.215 30 10 DKEE C=C[C@]1(C)CCC2=C(CC[C@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1 32264265 GTFNGUBYWRFHMR-OYNPSCLESA-N 316.485 5.439 30 10 DKEE biogenic CCCCCCC[C@H](C)Nc1cc(OC)c(OC)cc1Cl 59451472 AJAGMIKTOXTWED-ZDUSSCGKSA-N 313.869 5.518 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCCC1)c1ccc(F)cc1Cl 86580151 HIBLIOWLVSIUKX-OAHLLOKOSA-N 307.796 5.016 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1cccc(Cl)c1 109720420 DDQONEBSDKVPLQ-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCCCCC[C@H](CSC1CCCCC1)NN 126644451 JZFDKWKUQUXKFN-QGZVFWFLSA-N 314.583 5.415 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1CC 135693124 IBQWVTRLFSDSNR-CVEARBPZSA-N 302.549 5.323 30 10 DKEE CCOc1ccc(C#Cc2ccc(-c3ccc(C)s3)s2)cc1 197005534 LHPIDCZEFPYIFC-UHFFFAOYSA-N 324.470 5.584 30 10 DKEE CCCCCOc1ccc(/C=C2/Oc3ccc(C)cc3C2=O)cc1 213988302 CJQXCNMWCVHTKM-XSFVSMFZSA-N 322.404 5.180 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(Br)o1 228794143 ZQQMZWDYKSFCRW-GFCCVEGCSA-N 302.256 5.053 30 10 DKEE Cc1ccc(C)c2c1CCC2=NN=C1CCc2c(C)ccc(C)c21 254592261 CZCIJTPSAPDRKE-UHFFFAOYSA-N 316.448 5.006 30 10 DKEE CCCCCCC[C@H]1CCCC1=NOC(=O)c1cccs1 254771307 VYYBCAHILYIJAJ-AWEZNQCLSA-N 307.459 5.422 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1CS[C@H](C)[C@H](C)S1 300178019 YCSOVRILMWFTNO-QZWWFDLISA-N 317.608 5.341 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(N)c(Cl)c1 317338113 FTKJWWXPXUYXMS-UHFFFAOYSA-N 324.896 5.782 30 10 DKEE CCCCCCCCCCOc1c(N)cc(Cl)cc1F 383240360 FHABWZKETKYFCI-UHFFFAOYSA-N 301.833 5.581 30 10 DKEE N#CCN(Cc1cc(Cl)sc1Cl)C1CCCCCC1 1884919613 QKANBTVMSSZYAZ-UHFFFAOYSA-N 317.285 5.103 30 10 DKEE C=CCC(CC=C)Nc1cc(Br)ccc1Cl 1900966977 DSWZKVDPNFYQRV-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(C#N)c2ccccc12 1914537375 USADZMZMCNQVIH-UHFFFAOYSA-N 312.416 5.294 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@]1(C=O)CCCCC1(C)C 1962015027 FNUULLKRWCAHFH-XLIONFOSSA-N 302.458 5.015 30 10 DKEE C=C(CN(Cc1ccccc1)[C@H](C)C(C)(C)C)c1ccccc1 1990766811 COFQUGWZHLZOHZ-LJQANCHMSA-N 307.481 5.637 30 10 DKEE C=C(F)C[C@H](NCCC)c1cc(Br)ccc1Cl 2011353350 FNSPTVZVHCYGGK-ZDUSSCGKSA-N 320.633 5.017 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1ccc(Br)s1 2026017855 UEGHYLUNJIFCNJ-CQSZACIVSA-N 316.308 5.211 30 10 DKEE CCCCCCCC(=O)Cc1cccc(C)c1Br 2027610894 LQMHRRIKKQNALW-UHFFFAOYSA-N 311.263 5.230 30 10 DKEE C=CCCCCCC[C@@H](NN)c1scc(Cl)c1Cl 2085856480 MZGLLZHGYAEWCH-LLVKDONJSA-N 307.290 5.086 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1cscc1Cl 2090995639 IOUJTZSLBASBQL-HNNXBMFYSA-N 302.867 5.145 30 10 DKEE C=CCC[C@@H](C)C[C@@H](NCCC)c1ccc(Br)cc1 2113420773 BCVRQMHUVNFTJG-RHSMWYFYSA-N 324.306 5.482 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cccc(Br)c1 2138958204 FIZDNSWXRPOQPN-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cc(Cl)cc(Cl)c1 2173628644 HVHCLSCMLMXZRG-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE C=C([C@@H](NCCC)C(F)(F)C1CCCCC1)[Si](C)(C)C 2185222532 ARTIDPCOMMNUHW-OAHLLOKOSA-N 303.513 5.004 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc(C(F)F)cs1 2207403818 PSWBCDAISBPHNS-AWEZNQCLSA-N 301.446 5.992 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)CCCCC1CC1 2235459760 HZGCPCKHGXHCSV-HXUWFJFHSA-N 301.540 5.754 30 10 DKEE CCCCCCCC[C@](C)(N)Cc1ccc(Cl)c(Cl)c1 2240611587 KQXNJDNGDUOSIY-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cscc1C(F)(F)F 2240618670 WBTJCUVAVOHQAQ-CQSZACIVSA-N 307.425 5.691 30 10 DKEE CC(C)(C)C#CC=CCCc1ccc(F)cc1Br 2256697511 YPZGMOVZAPQUAZ-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE CC(C)(C)C#CC=CCCc1cc(F)ccc1Br 2256713194 CJNMQKQRQBFWJJ-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cocc1Br 2258146466 SWYSKVMLLCMSPP-OAHLLOKOSA-N 316.283 5.443 30 10 DKEE C=C(C)CCCCC[C@H](NCC)c1ccc(Br)cc1 2271796778 HPHAJQSNMVYWAS-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2285206349 WFKSXNHULQXPKX-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@H](C)N[C@@H](CSC)C(C)(C)C 2295682069 MIIBHDNNFOBABH-IRXDYDNUSA-N 301.584 5.883 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(Cl)c(Br)c1 2301010378 QEMKLXOPZJUKFG-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE C=CCC(CC=C)C(=O)c1c(Br)sc(C)c1C 2301060850 RPIWUAFZYXLZGM-UHFFFAOYSA-N 313.260 5.079 30 10 DKEE CCCC[C@H](CC)COCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2301860458 ZWZUMWFCDFCPHS-INIZCTEOSA-N 324.314 5.187 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(OC)c(Cl)s1 2340257000 YMTFMPHVVULGPY-GFCCVEGCSA-N 303.899 5.421 30 10 DKEE CC1(C)CCC[C@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2349906035 JDMRXYZFCVXUGX-OAHLLOKOSA-N 303.204 5.070 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)ccc1CNCCC 2360371722 NWKWPUIHCOAYKM-UHFFFAOYSA-N 309.906 5.453 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1cc(Cl)ccc1Cl 2370483042 QPICSZQAFFUKSA-SJORKVTESA-N 314.300 6.027 30 10 DKEE CCCCCCCOc1ccccc1CNC1CCCCC1 3151962 TULVPIWFSCVPLM-UHFFFAOYSA-N 303.490 5.458 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(C)cc2)C1 37154464 QWOOKFSVXJCGCH-LZLYRXPVSA-N 301.499 5.832 30 10 DKEE Cc1cc(C)c(OC(C)C)c(C(=O)/C=C/c2cccs2)c1 83193858 LPRIHYRQRCOZAC-BQYQJAHWSA-N 300.423 5.048 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(C)c3ccccc23)cc1 83204433 XBLCYRVCYCUNJW-RVDMUPIBSA-N 316.400 5.443 30 10 DKEE CCCCCCCCCC[C@H](CSC1CCCC1)NN 126634584 UFODSOHSJNMHKE-MRXNPFEDSA-N 300.556 5.025 30 10 DKEE CCCc1ccc(Oc2cccc(Br)c2C#N)cc1 168634302 WUQUKTUJXXAECQ-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE CCCC#CCCCCCCCCCCO[C@@H]1CCCCO1 206989276 VACAUCGFNYHFHU-FQEVSTJZSA-N 308.506 5.844 30 10 DKEE C=CCCCCC[C@H](NC)c1ccc(C)cc1Br 234438230 ONGQQAYVLPPVIE-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC(C)(C)[C@H]1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1 245310289 IALQBQOSFNCQSO-OEYDXYMWSA-N 310.393 5.365 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3ccccc3C)ccc21 254486785 PCJCYYCEHOJBMV-UHFFFAOYSA-N 312.416 5.873 30 10 DKEE CC(C)(C)C1CCC(C#N)(CCCOCc2ccccc2)CC1 381988440 OMFWQZDYHCRCPF-UHFFFAOYSA-N 313.485 5.730 30 10 DKEE CCCCCCCCCC[C@H](CCOCc1ccccc1)NC 395560538 LFNUJEUYAOQTSO-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@H]1C 698380827 UROHMUJMXUQASG-VCBZYWHSSA-N 322.493 5.131 30 10 DKEE CCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712354074 MZRVHIVIUZFBJL-LJQANCHMSA-N 322.493 5.419 30 10 DKEE C=CCC1(NCc2ccc(C)c(Br)c2C)CCCC1 719564300 FIHPGKDIPVPKRC-UHFFFAOYSA-N 322.290 5.044 30 10 DKEE CCCCCCCCCC[C@@H](O)C1CCC(SC)CC1 720477147 PTRYURPGGXRKCM-DAWZGUTISA-N 300.552 5.800 30 10 DKEE CCN(CC)c1ccc(C=Nc2ccc3ccccc3c2)cc1 1084282508 IAXJDLBYKGWARD-UHFFFAOYSA-N 302.421 5.437 30 10 DKEE CCCCCCCC[C@H](O)C1CCN(Cc2ccccc2)CC1 1939423606 KSISALYTQPXNOT-NRFANRHFSA-N 317.517 5.010 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1N(Cc1ccccc1)CC1CCCCC1 1946754595 UETWVQLHPHMDHB-VXKWHMMOSA-N 324.512 5.541 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1cccc(OCc2ccccc2)c1 1975928025 OQIWAVLQWBNZOR-DYESRHJHSA-N 309.453 5.128 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@@H]1C[C@@H]1C1CCCCCC1 1993110500 BDHKVXRPSXYIRB-FCHUYYIVSA-N 311.513 5.671 30 10 DKEE C=C(CC)C[C@@H](NC)c1cc(Cl)c(C)c(Br)c1 2002243279 YKIPNZJFBRRTPI-CQSZACIVSA-N 316.670 5.028 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Br)c(C)s1 2026001063 CTLWVMCTWVLHTG-CYBMUJFWSA-N 316.308 5.345 30 10 DKEE C=CCCCCCC[C@H](O)c1ccccc1OCc1ccccc1 2026019083 HUVVJCJOJQUIMK-NRFANRHFSA-N 324.464 5.826 30 10 DKEE CCCCC[C@H](CC)Oc1cccc(Br)c1C#N 2086286004 QGWRNPHNRNRIRM-LBPRGKRZSA-N 310.235 5.058 30 10 DKEE C#CC(C)(C)CC(=O)c1ccc(-c2cccc(Cl)c2)s1 2167594478 LDWJNCWVWATSLY-UHFFFAOYSA-N 302.826 5.301 30 10 DKEE C=CCCCC[C@H](N)c1ccc(-c2ccccc2Cl)s1 2179679712 RCDFYCQRSSNQKJ-HNNXBMFYSA-N 305.874 5.815 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1ncc(SC)s1 2207435626 JPVFJUYYQWJYGL-CQSZACIVSA-N 313.532 5.595 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccccc1CN[C@H](C)CC 2217123287 VSBPLKJEBZAXIP-LJQANCHMSA-N 322.496 5.157 30 10 DKEE C=CCCCCCCCOc1ccc(C)cc1Br 2220090698 XUVSTGXOINZPMV-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE C=CCCCCCCCC(=O)c1cnc(C(F)(F)F)s1 2235532051 GQLXUENUXIRRNI-UHFFFAOYSA-N 305.365 5.261 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cc2cscc2s1 2235542960 XWVRDLIOQXKSJT-AWEZNQCLSA-N 308.516 5.384 30 10 DKEE C=CCCSCc1c(Br)sc2ccccc12 2244583948 NYBQFBHZTHEMEV-UHFFFAOYSA-N 313.285 5.473 30 10 DKEE C=C(C)CCCC[C@]1(O)CC[C@@H](C)C[C@H]1OCc1ccccc1 2244650622 KQSFNKAWHIIIIC-NRSPTQNISA-N 316.485 5.259 30 10 DKEE CCCCCCCCc1sc(Br)c(CN)c1C 2252952620 HZDVDYUXXXRPJS-UHFFFAOYSA-N 318.324 5.181 30 10 DKEE CCCC[C@@](C)(C#N)c1nc2ccc(Br)cc2s1 2264345974 VMBGDDQKAFVPJH-AWEZNQCLSA-N 323.259 5.030 30 10 DKEE C=CCCCCCCC[C@H](NC)c1csc(Cl)c1OC 2284286502 AJKBSHIBCBJIDP-AWEZNQCLSA-N 315.910 5.587 30 10 DKEE C=CCCCSc1cc(NCCC)c([N+](=O)[O-])cc1Cl 2287081626 FEISKEWNMZLBQL-UHFFFAOYSA-N 314.838 5.128 30 10 DKEE C=C(C)CCCC[C@@H](COc1ccc(Cl)cc1Cl)NC 2287466846 JISGVUISGSXFIP-AWEZNQCLSA-N 316.272 5.097 30 10 DKEE CCCCCCCCC[C@H](OCCN)c1sccc1Cl 2293569869 OFQKOQKLTNBMCR-HNNXBMFYSA-N 317.926 5.559 30 10 DKEE O=C1C(=Cc2ccccc2)CCCC1=Cc1ccc(Cl)cc1 2297169421 JVNRKLUOBQCOLV-UHFFFAOYSA-N 308.808 5.560 30 10 DKEE Cc1ccc2nc(Cl)c(C=CC(=O)c3cccs3)cc2c1 2297551889 UYVTVBMVQADYTA-UHFFFAOYSA-N 313.809 5.154 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1ccc(C)cc1C 2322572621 QLGZSRYINQYBFN-UHFFFAOYSA-N 316.400 5.361 30 10 DKEE N#Cc1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1 20362757 OXHJKRILFYVCIU-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2cc(Cl)ccc2Cl)C1 37154526 UFVOZQSKPSWFKB-MISXGVKJSA-N 314.281 5.804 30 10 DKEE COc1cccc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)c1 37154678 UQGMWYPVHRHKJK-GRDNDAEWSA-N 303.471 5.142 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 58929217 QMFBIJCURQSFID-RFUYNDQBSA-N 306.796 5.038 30 10 DKEE CCCCCCCCC[C@@H](O)CCCCCCCC(=O)OC 85885636 QDFNTRIETZJNIC-GOSISDBHSA-N 314.510 5.392 30 10 DKEE CC(C)(C#N)CCCNc1ccc(C(F)(F)F)cc1Cl 87598351 OUFUTKRKBYLCPQ-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2cccc(Cl)c2Cl)CC1 91881589 MOZAXUVQJNKCHS-AJQRCPHMSA-N 312.240 5.137 30 10 DKEE Cc1ccc(/C=C2/C[C@H](c3ccccc3)c3ccccc3C2=O)cc1 103043863 NIRIKABXXZPISN-HVQRGMKJSA-N 324.423 5.797 30 10 DKEE CCCCCCCCCCc1ccc([C@@H](N)C(F)(F)F)cc1 103550460 KFRIXKUGXCOYEP-QGZVFWFLSA-N 315.423 5.932 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccc(F)c(Cl)c1 109749658 PYDORWDQYJRKCG-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCCCCC[C@@H](O)CCCCC(=O)O 111924048 ADWDLUCFMZILNY-GOSISDBHSA-N 314.510 5.693 30 10 DKEE CCCCCCCCCCNc1cc(Cl)c(Cl)cc1N 123059421 RDQRZGMBNSYCEA-UHFFFAOYSA-N 317.304 6.128 30 10 DKEE CCCCCCCCCSc1ccc(CNC(C)C)cc1 124135558 LOGCZAJCHIAKEB-UHFFFAOYSA-N 307.547 6.027 30 10 DKEE Cc1cccc(C#N)c1N(Cc1ccccc1)Cc1ccccc1 306341150 LORXINKIWJUPED-UHFFFAOYSA-N 312.416 5.074 30 10 DKEE C=CCCCCC[C@H](N)c1cc(C(F)(F)F)ccc1Cl 695044660 FLQDHOGHTPVKJO-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@@H](C)C1CCCCC1 698379965 SVPMESHRMUTBJJ-YQQAZPJKSA-N 322.493 5.131 30 10 DKEE CCCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 698877874 WURCWWSPYLYQNV-GOSISDBHSA-N 308.466 5.029 30 10 DKEE CCCCCCCC[C@@H](NC)c1csc(C(F)(F)F)c1 703561923 MXIUOSQSFBHOAR-CYBMUJFWSA-N 307.425 5.778 30 10 DKEE CCCCCCCN[C@@H](C)c1ccc(Br)cc1F 703773367 ZPDDLQKQXBGWBO-LBPRGKRZSA-N 316.258 5.209 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Cl)c(Br)cc1F 703821207 CAXFSLOUWJQMSB-MRVPVSSYSA-N 306.606 5.008 30 10 DKEE Cc1ccc(N=C2NC3(CCCCCC3)CS2)cc1Cl 713237858 UGCZTIFXLAMUKI-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE CCCCCCC[C@@H](CCCOCc1ccccc1)NCC 719126940 IHFDCBLBHNQTEB-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE CCCCOc1ccc(C#Cc2ccc(Cl)cc2Cl)cc1 1614706561 VUWDSRVOESLDTL-UHFFFAOYSA-N 319.231 5.572 30 10 DKEE C[C@@H]1CC[C@](C#N)([C@@H](O)c2c(Cl)ccc(Cl)c2Cl)C1 1921099453 OJWZATXGMVHOTM-ULOPGQLASA-N 318.631 5.010 30 10 DKEE CCCCCCCCCNCc1cscc1Br 1948478842 PHUARQFOPWBGON-UHFFFAOYSA-N 318.324 5.351 30 10 DKEE CCC(C)(C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1989852490 BPJJWSSFQCRYQV-LJQANCHMSA-N 322.493 5.275 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cccc(C)c1Br 2046001954 HOGSBAPHLLYVMA-INIZCTEOSA-N 308.263 5.410 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1ccc(C)cc1F 2070122942 BPPORYJGQDUUIM-OAQYLSRUSA-N 324.443 5.359 30 10 DKEE CCCCCCCN(C)c1nc(Cl)c(Cl)cc1Cl 2075945139 IJVQFNTVAUDSKN-UHFFFAOYSA-N 309.668 5.448 30 10 DKEE C=C(CC)CC(=O)c1ccc(-c2ccc(Br)cc2)o1 2107832148 MWSDSCKCZHIWQQ-UHFFFAOYSA-N 319.198 5.248 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc(Br)ccc2C)CCC1 2111721886 WKQSWIAXLAJSBJ-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCCCC2(C)C)c1Br 2117022138 CGRZTGJREOQNHM-QGZVFWFLSA-N 320.274 5.410 30 10 DKEE CCCCCCCCCC[C@H](O)c1c(Cl)cnn1CC 2164499311 BTOLRQRRFPBIDB-HNNXBMFYSA-N 300.874 5.121 30 10 DKEE C=CCCCC[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2179681356 WKFLTQRUJAXFMG-HNNXBMFYSA-N 305.874 5.815 30 10 DKEE C#CC[C@H](C)C[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2196859991 XCENTEIXLLWRSG-SWLSCSKDSA-N 303.858 5.118 30 10 DKEE CCCCCCCCCC[C@H](NC)C1(P(C)(C)=O)CC1 2204451644 KTAQGRFMYODUQK-INIZCTEOSA-N 301.455 5.261 30 10 DKEE CCCC[C@](C)(C#N)[C@@H](O)c1ccc(-c2cccs2)s1 2205866005 MZNXKXXUVBGBHU-JKSUJKDBSA-N 305.468 5.230 30 10 DKEE N#Cc1ccc(Br)cc1NCCCCCCC1CC1 2225787894 NMJTVZGMGLJZJF-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCCCCC[C@H](C)Nc1c(Cl)cc(F)cc1Cl 2240653780 KLONLFYTOQKKMP-LBPRGKRZSA-N 320.279 6.684 30 10 DKEE CCC[C@H](CS)CSc1ccc(Br)cc1C 2243751118 QVMFIXSTPWATNN-LLVKDONJSA-N 319.333 5.196 30 10 DKEE CCCCCCCCCCC[C@H](N)c1cc(Cl)cs1 2274440969 MVCDHJYSCXZUFC-HNNXBMFYSA-N 301.927 6.322 30 10 DKEE C=CCCCCCCCSc1c(C)sc(CNC)c1C 2287077405 LTCACLNOWICWKR-UHFFFAOYSA-N 311.560 5.703 30 10 DKEE C=CCCCCCCCSC[C@H]1CSc2ccccc21 2287198832 RLYVUUWUMKJVPT-INIZCTEOSA-N 306.540 6.136 30 10 DKEE Cc1ccc(C)c(C(=O)C=CNc2ccc(Cl)c(Cl)c2)c1 2296876394 QTRPBAHIKGWVRF-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Br)cc1Cl 2304115237 MDBTYZXUWHIVSP-ZIAGYGMSSA-N 317.654 5.128 30 10 DKEE Cc1ccc(C(=NOCc2ccc(C(C)(C)C)cc2)C2CC2)cc1 2330296491 GFAWKOHKRBUGGS-UHFFFAOYSA-N 321.464 5.623 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(Cl)c(Cl)c1)NC 2344394226 AYCGCEFPUOQMTJ-JKSUJKDBSA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(Cl)c(Cl)c1C)NC 2370495249 BBLQCQURFDVCOW-DOTOQJQBSA-N 314.300 5.425 30 10 DKEE CCCCCCCNC(=O)c1ccccc1Nc1ccccc1 100427549 JLDYBVOZWZWMOC-UHFFFAOYSA-N 310.441 5.130 30 10 DKEE CCCCCCCOc1ccc(Cl)cc1[C@H](C)NCCC 110096657 FWBXHLGCTLOVBS-HNNXBMFYSA-N 311.897 5.750 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1cccc(Cl)c1 112885242 UFTYKQWITLAYDJ-LJQANCHMSA-N 310.909 6.684 30 10 DKEE CCCCCCCCCCNc1nc2cccc(Cl)c2s1 129444708 NQMVJJAMLABKBQ-UHFFFAOYSA-N 324.921 6.502 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)N(CC)c2ccccc2)c1 243818526 QTWTWERDFCAPGX-UHFFFAOYSA-N 322.452 5.191 30 10 DKEE N#Cc1c(N=Cc2cccc3ccccc23)sc2c1CCC2 254622796 FQTWIIMCEGOOTK-UHFFFAOYSA-N 302.402 5.012 30 10 DKEE N#Cc1cccc(CSc2ccc(Cl)cc2Cl)c1F 322521339 MAJLKBGDCYFEDD-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CC(C)Sc1ccc([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 390776934 NUDVJOUFVJJJSM-CVEARBPZSA-N 318.291 5.137 30 10 DKEE CCCCCCCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 405586854 BURWCHBDOGGOCQ-UHFFFAOYSA-N 319.445 5.577 30 10 DKEE CCCCCCC[C@H](N)c1cccc(NC(=O)OC(C)(C)C)c1 406757167 KREIWPAVQGMRMU-KRWDZBQOSA-N 320.477 5.394 30 10 DKEE CCCC(CS)(CCC)COc1cccc2sccc12 705010472 NXDXENYZIAEKKQ-UHFFFAOYSA-N 308.512 5.797 30 10 DKEE N#Cc1c(C(F)F)cc(SC(F)(F)F)c2ccsc12 725291432 OZNSMDXYHYKQEV-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CCc1cc(SC(F)(F)F)cc2sc(CC#N)cc12 725303392 HXLSDXDQMVIQCU-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CC/C(=N\OCc1cccc(Cl)c1)c1ccc2c(c1)CCC2 821224276 KQBDJJJHMOOWQH-XUTLUUPISA-N 313.828 5.160 30 10 DKEE COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1C 1874578981 QLGZSRYINQYBFN-VAWYXSNFSA-N 316.400 5.361 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 1874602512 QHOQRFZOKMTUCT-NTEUORMPSA-N 316.400 5.525 30 10 DKEE CCC1(C)CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 1981059893 CAIAMHJLLIHNSF-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE N#CC1(Cc2csc(Br)c2)CCCCCCC1 2024825054 SZBNHPQSJAIREI-UHFFFAOYSA-N 312.276 5.307 30 10 DKEE C=C(C)C[C@H](N)c1ccc(-c2ccc(Br)cc2)s1 2045617491 HEFIACRMGDAUFP-ZDUSSCGKSA-N 322.271 5.144 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccc(C)c(C)c1 2070123127 FLJRBFNPPAVIHI-QGZVFWFLSA-N 306.453 5.138 30 10 DKEE CC(C)c1cccc(-c2cc(Br)c(C#N)s2)c1 2080351451 BGIZVQHECPPJFB-UHFFFAOYSA-N 306.228 5.173 30 10 DKEE C=CCCCCCCCCN1CCC(C)=C(Br)C1 2086277969 CIEZXJFZKNOLDV-UHFFFAOYSA-N 314.311 5.278 30 10 DKEE C=C1CCC(C[C@](C)(N)c2ccc(C)c(Br)c2)CC1 2105803181 ZHYIXPJDCUETNG-KRWDZBQOSA-N 322.290 5.068 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1c(Cl)cccc1Cl)C1CC1 2196858423 NMLMLCUIOARWCG-XJKSGUPXSA-N 310.268 5.084 30 10 DKEE Fc1c(Cl)cc(NCC#CC2CCCCC2)c(F)c1Cl 2200724919 ZWKRXMOVWIJIQS-UHFFFAOYSA-N 318.194 5.267 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cc(Cl)ccc1Cl 2203787703 PSPBTQIFCMXMPD-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE C=CCCC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2204239251 XDQRIFLAZQENCG-CQSZACIVSA-N 316.272 5.399 30 10 DKEE C=CCCCCCCCNc1ccc(OCc2ccccc2)cc1 2214617410 IEUGFJZIEYYNBM-UHFFFAOYSA-N 323.480 6.204 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2227316323 NUIZZPITPOUTKZ-IINYFYTJSA-N 320.691 5.900 30 10 DKEE CCCCC#CC[C@@H](Cc1cccc(Cl)c1Cl)NCC 2235758904 ZGLNRNNKLIRCOJ-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE CCCCCCCCCCCOC(=O)c1cc(S)cs1 2239492353 JHRGQXHNGUHISR-UHFFFAOYSA-N 314.516 5.724 30 10 DKEE C=C[C@@H](CCCCC)OCC(=O)c1cc(Cl)ccc1Cl 2239560543 CNWXBWLIGAINHH-ZDUSSCGKSA-N 315.240 5.328 30 10 DKEE CCC1CCC(C=O)(CCCC(F)(F)C(F)(F)F)CC1 2240468760 LXJMJJIJABPOCR-UHFFFAOYSA-N 300.311 5.140 30 10 DKEE N#CC1(Sc2ccc(Br)cc2)CCCCCCC1 2263175545 AIMHANLPZWBDOP-UHFFFAOYSA-N 324.287 5.548 30 10 DKEE C=CCCCCCCCSc1cc(Cl)nn2ccnc12 2287071869 ZHIGNOSQGWEEMQ-UHFFFAOYSA-N 309.866 5.001 30 10 DKEE CC[C@@](N)(C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2289705971 OFYIBFUQJVFKRX-QGZVFWFLSA-N 310.268 5.141 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(C(F)(F)F)s1 2295258165 HBNMCXGXGHLHQK-LBPRGKRZSA-N 305.409 5.554 30 10 DKEE C=CCOc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2323211667 QYAJJSISBCJRNM-UHFFFAOYSA-N 306.405 5.271 30 10 DKEE CCC(=NOCCCc1ccccc1)c1ccc(Cl)cc1 2330252129 FXMRFYKUCGJWPV-UHFFFAOYSA-N 301.817 5.104 30 10 DKEE CCN[C@@H](C#CC1CCC1)c1c(Cl)ccc(Cl)c1Cl 2337414459 DOXJKSBTZKDGCL-ZDUSSCGKSA-N 316.659 5.101 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSC[C@@H]1CCCCC1(F)F 2352290876 QTDDAQYIYNDRSI-JSGCOSHPSA-N 310.519 5.527 30 10 DKEE Cc1c(Cl)ccc([C@@H](C)[C@]2(C#N)CCCSC2)c1Cl 2353187059 VCGDYRKWFKYAGC-ABAIWWIYSA-N 314.281 5.442 30 10 DKEE C=CCC(CC=C)OC(=O)C=Cc1cccc(Cl)c1Cl 2360214268 GVRTUSPGWGRXAU-UHFFFAOYSA-N 311.208 5.071 30 10 DKEE C=CCC(CC=C)[C@H](N)c1cc(C(F)(F)F)ccc1Cl 2364088959 IMVPCQGQFAFSQD-AWEZNQCLSA-N 303.755 5.127 30 10 DKEE CCCCCCCCC(=O)Cc1cc(F)c(Cl)cc1Cl 2377277644 HQNQAUHJPPVVCK-UHFFFAOYSA-N 319.247 5.995 30 10 DKEE O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 83204251 OYDYYGTXTVTPKE-SOFGYWHQSA-N 316.187 5.371 30 10 DKEE CC(C)CC1(C(=O)[C@H](C#N)c2ccccc2Cl)CCCC1 94902790 TYJRETXCKASYPP-OAHLLOKOSA-N 303.833 5.123 30 10 DKEE Cc1cc(C#N)cc(C)c1OCCCCCCCCCS 97799805 MFOSGDWVSSJWMI-UHFFFAOYSA-N 305.487 5.214 30 10 DKEE CCCCCCCNCc1cccc(OC)c1OCCC(C)C 100126202 YSNDACYLIHFCHQ-UHFFFAOYSA-N 321.505 5.180 30 10 DKEE CCCCCCCCCn1c([C@H](N)CC)nc2ccccc21 104066909 LQCGNJWHLDIUPO-MRXNPFEDSA-N 301.478 5.197 30 10 DKEE CCCCCCCCO[C@@H](c1ccc(Cl)s1)[C@@H](N)CC 109988950 DNSGJDLOKLSTMO-XJKSGUPXSA-N 317.926 5.557 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H](C)c2ccc(Cl)cc2)C1 110265532 SFOPNFZVNSCEER-JSSFPYSZSA-N 304.865 5.051 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ccc(Cl)cn1 129582853 DTSMFTWQYUVXHN-KRWDZBQOSA-N 310.913 6.046 30 10 DKEE CCCCCCCCCOc1c(Cl)cccc1CNCC 165248260 IRPWRLKQXAJQJZ-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE C(=Nc1ccc2c(c1)Cc1ccccc1-2)c1ccnc2ccccc12 254763602 OEMXZWRIXXMIFX-UHFFFAOYSA-N 320.395 5.557 30 10 DKEE OC1=N[C@@H](C/C(O)=N/C2CCC3(CCCCC3)CC2)CCCC1 328829020 QUTVTFABRMLDPR-MRXNPFEDSA-N 320.477 5.125 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)cc1 407482896 MNLRGHRUALJNAO-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Br)c(C#N)c1 690217728 UAHFRUYYPZRMPL-ZDUSSCGKSA-N 323.278 5.482 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 709117946 LNOCIGNNXGRUPT-MFKMUULPSA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@@H](O)c1c(Cl)cccc1C(F)(F)F 712619131 LBLCKYMLAOGZPO-CYBMUJFWSA-N 308.771 5.753 30 10 DKEE CCCOc1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1 725425931 OLOSJJYCLDDEKE-UHFFFAOYSA-N 305.204 5.182 30 10 DKEE CC/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 821218525 WFHLUSXCWNWTIR-XTQSDGFTSA-N 323.480 5.932 30 10 DKEE C=C(C)Cn1c(-c2c(F)cccc2Cl)nc2ccccc21 1873522324 RIIHZYSLNLRTOZ-UHFFFAOYSA-N 300.764 5.072 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1cccc(OCc2ccccc2)c1 1900978866 SNIZHMZUAXVMBY-OAQYLSRUSA-N 308.421 5.067 30 10 DKEE C=C([C@H](NCCC)c1cccc2ccsc12)[Si](C)(C)C 1922872839 HWNGEQWQQDFNSF-INIZCTEOSA-N 303.547 5.376 30 10 DKEE Cc1cc(C#N)ccc1CN(Cc1ccccc1)CC1CCCC1 1946746020 GSNWMMOGEUPERF-UHFFFAOYSA-N 318.464 5.059 30 10 DKEE CCCCCCCN(Cc1ccccc1)CC1CCCCC1 1961653120 IEERRZWXNPFKEH-UHFFFAOYSA-N 301.518 6.039 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2013162846 HCQOYPBXXMLXRO-PCCBWWKXSA-N 324.512 5.419 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(C)cc1Br 2040528267 BNMMGRKQJDEHDC-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE CCCCC[C@@H](CC)Nc1ccc(C#N)c(Br)c1 2073351205 TVRFLPSZYKFMJD-CYBMUJFWSA-N 309.251 5.092 30 10 DKEE CCC[C@]1(C)CSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 2090413334 CHYKPJHKJLMWMT-CQSZACIVSA-N 317.285 5.185 30 10 DKEE C=C([C@H](Cc1ccc(Cl)cc1Cl)NCC)C(C)(C)C 2096621790 QGZLBHCNIWLPEH-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C=CCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 2098393065 QGEHVOXESUURSP-OAHLLOKOSA-N 304.236 5.443 30 10 DKEE C=CCCCCCC[C@@H](NN)c1cccc(Cl)c1Cl 2141907721 HSHODBRSRJPHFB-CQSZACIVSA-N 301.261 5.024 30 10 DKEE CCCCCCCCCC(=O)c1csc(C(F)(F)F)n1 2144135130 SXONJCOVKPCLLD-UHFFFAOYSA-N 307.381 5.485 30 10 DKEE C#CC1CCC(N[C@@H](CC)c2ccc(Cl)c(Cl)c2)CC1 2153352409 HAZRCMPBFSRKNT-AJUCZRQESA-N 310.268 5.226 30 10 DKEE CCCCCCC[C@H](NCC)[C@H](O)c1cc(Cl)sc1C 2154447344 OYLBZTTYXDMIIC-GOEBONIOSA-N 317.926 5.082 30 10 DKEE C#CCCCCCC(=O)c1cccc(SC(F)(F)F)c1 2164070377 ZKCNSLHEGWPEMP-UHFFFAOYSA-N 300.345 5.065 30 10 DKEE C#CCN(Cc1sc2ccccc2c1Cl)CC(C)(C)C 2176141160 GNUKOUWWKHTTJT-UHFFFAOYSA-N 305.874 5.036 30 10 DKEE C=CCCCCC(=O)c1ccc(-c2ccccc2Cl)s1 2179679473 LQTHCUPAVGEROB-UHFFFAOYSA-N 304.842 5.998 30 10 DKEE CCCCCCCCCCC(=O)c1csc(C(F)F)n1 2188752445 KIPFSDOYIWHKSN-UHFFFAOYSA-N 303.418 5.794 30 10 DKEE C=CCCCCCC[C@](C)(N)c1ccc(Cl)c(F)c1F 2206893194 YBOPWURPZMAESK-INIZCTEOSA-N 301.808 5.319 30 10 DKEE CCCCCCCC[C@H](O)[C@H](NCC)c1sccc1Cl 2207443925 FJGKHINYZBXQQJ-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)c(F)cc1F 2235512450 DEILDVOLFOGWFN-MRXNPFEDSA-N 301.808 5.535 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1scc(Cl)c1Cl 2274134281 ZZOGMTOIWHXSPY-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE C#CCCCCC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2286463866 VRGFNVCCNPOVKV-KRWDZBQOSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCCSc1ccc([C@@H](C)N)c(Cl)c1 2287080971 XIQYTCCROUUVGV-CQSZACIVSA-N 311.922 5.978 30 10 DKEE CCN[C@@H](C#Cc1ccccc1Cl)c1cc(Cl)sc1C 2295241922 FORTXLBMBFGAIR-HNNXBMFYSA-N 324.276 5.066 30 10 DKEE CCCCCCCCCC[C@H](N)c1sc(Cl)cc1OC 2295770189 BNXGNSYDSZQCBO-ZDUSSCGKSA-N 317.926 5.941 30 10 DKEE O=C(C=Cc1cccs1)c1ccc2oc3ccccc3c2c1 2313676752 AGODEURVKRJSFC-UHFFFAOYSA-N 304.370 5.544 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(C)c(Br)c(C)c1 2321222771 CPBTWELBHHCWCX-JKSUJKDBSA-N 311.263 5.092 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Br)cc(C(C)C)c1 2344342515 KMLVQFIXDZKFHE-IRXDYDNUSA-N 324.306 5.565 30 10 DKEE CCc1ccc(C#N)c(Nc2ccc(Cl)c(C)c2Cl)c1 2365666659 LZSMYTIPLBGALM-UHFFFAOYSA-N 305.208 5.480 30 10 DKEE O/N=C1/C(c2ccc(C3CCCCC3)cc2)=Nc2ccccc21 6455128 JKCDPMDEWLXVTJ-LSDHQDQOSA-N 304.393 5.047 30 10 DKEE O=[N+]([O-])c1cccc(/N=C/c2cccc(-c3ccccc3)c2)c1 8519019 FOSXYVJBTRLRQJ-XSFVSMFZSA-N 302.333 5.012 30 10 DKEE CC(C)(C)c1ccc(OCc2ccccc2C#N)c(C(C)(C)C)c1 11834140 LVNDVABNAXVKMK-UHFFFAOYSA-N 321.464 5.732 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(Cl)ccc2Cl)C1 37154528 UFVOZQSKPSWFKB-UHIISALHSA-N 314.281 5.804 30 10 DKEE Cc1cc(C)cc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 50038967 RBQSMVYAULRSED-AWEZNQCLSA-N 318.203 5.100 30 10 DKEE CCCCCCCCCCCCCCC[C@@H]1CCC[C@@H](N)C1 100306312 PFHBAWRUQBDPAQ-NHCUHLMSSA-N 309.582 6.985 30 10 DKEE CCCCCCCCCCCCONC(=O)Nc1ccccc1 100844489 QNPZVYZIODCVQW-UHFFFAOYSA-N 320.477 5.661 30 10 DKEE Cc1ccc(Nc2cccc(Cl)c2C#N)cc1C(F)(F)F 110257079 UAERBJUNDXFQTK-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE N#CC1([C@H](O)c2cc(Cl)cc(Cl)c2)CCCCCCC1 156814109 WCXARIZGLWHHHD-OAHLLOKOSA-N 312.240 5.281 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc(C)cc(Cl)c1 157809587 DCQMXIVNPDJGJW-IBGZPJMESA-N 309.925 6.440 30 10 DKEE CCCCCCC[C@H](NC)c1cc(C)ccc1Br 158064309 DEZCXJCLNCBEIX-INIZCTEOSA-N 312.295 5.379 30 10 DKEE CCCCCCCC[C@H](NC)c1occc1Br 166421317 OTPDTQNRFYYODV-ZDUSSCGKSA-N 302.256 5.053 30 10 DKEE Fc1c(Cl)cccc1OCC1(CS)CCCCCC1 167436694 JBLGYKCOTJEBBQ-UHFFFAOYSA-N 302.842 5.128 30 10 DKEE C=CCCCCCOc1ccc2cc(Br)ccc2c1 232554430 YCKAOKUMVVJQGL-UHFFFAOYSA-N 319.242 5.728 30 10 DKEE CCCC(=O)Nc1ccc(N=Cc2cccc3ccccc23)cc1 252460764 HZIRLEAOOTZCNS-UHFFFAOYSA-N 316.404 5.329 30 10 DKEE Cc1cc(C2(C#N)CCCC2)cc(C)c1OCc1ccccc1 260705549 UFPVKNUVEMUDJT-UHFFFAOYSA-N 305.421 5.218 30 10 DKEE CCCCCCC[C@@H](NC)c1ccsc1Br 698647841 OHNWDCWQYJWNIS-GFCCVEGCSA-N 304.297 5.132 30 10 DKEE C[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC1 698911871 QUWXHICELGDMTE-BEFAXECRSA-N 320.477 5.029 30 10 DKEE C=CCCC(C)(C)Cn1c(S)nc2cc(F)c(Cl)cc21 709426917 XMWZHCNBJMWTMQ-UHFFFAOYSA-N 312.841 5.110 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 712571828 YNKRXTUFOJOWAX-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(C)c(Br)c(C)c1 715749192 MIUCBPZVUSTPNA-SJCJKPOMSA-N 324.306 5.319 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(C[C@H](C)COCc2ccccc2)C1 719590151 BBKWNAWRJHLQGC-NLWGTHIKSA-N 302.458 5.015 30 10 DKEE Fc1cc(-c2ccccc2OC(F)(F)F)ccc1C(F)(F)F 1848363792 QFNVEZVURXJMST-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE Fc1cc(C(F)(F)F)ccc1-c1ccccc1C(F)(F)F 1848368095 LMPJBPUOEWVTFO-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccccc1[C@@H](C)NCCC 1914960579 DPQWHGKPJCPJMJ-LJQANCHMSA-N 322.496 5.330 30 10 DKEE CC[C@H](C(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1988764427 LNCWHMZFUVFQHK-SJORKVTESA-N 316.445 5.002 30 10 DKEE C=CCCCCCCNC[C@@](C)(CC)N(C)Cc1ccccc1 1995169467 QVJUVCWBTIOSAQ-OAQYLSRUSA-N 316.533 5.013 30 10 DKEE C=CCCCCCCC(=O)c1csc(Br)c1 1995180691 VAFZMMLBNZKZQY-UHFFFAOYSA-N 301.249 5.220 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccsc1Br 1995207468 WNOBXFSFKOAJMA-GFCCVEGCSA-N 303.265 5.071 30 10 DKEE CCCCCCCN(C)Cc1cc(C)c(Br)s1 2023680961 XMXMWMZVPQZGMS-UHFFFAOYSA-N 318.324 5.221 30 10 DKEE C=CCCCCCC[C@H](O)c1sc(Br)cc1C 2026018696 CNKZPQRRJPRYGM-LBPRGKRZSA-N 317.292 5.379 30 10 DKEE CCCC[C@](C#N)(CC)Cc1ccc(Br)cc1F 2045997076 HTPVTWKKHUOFCU-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE CCCCCCCCC[C@@H](NN)c1scc(Cl)c1Cl 2096226451 PPDMDWDMYHUXKH-GFCCVEGCSA-N 323.333 5.700 30 10 DKEE C=C([C@H](NCCC)c1cccc(Cl)c1Cl)C(C)(C)C 2096631591 KUVASNVTSLTZPF-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE N#CC1(Cc2ccc(Cl)c(Cl)c2)CCC(F)(F)CC1 2128466280 BDXNPZWLQWKYHK-UHFFFAOYSA-N 304.167 5.255 30 10 DKEE Cc1cc(Cl)c(NCc2ccc(C#N)c(C)c2)cc1Cl 2153529634 ZWSKCOGDPUDCQE-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CP(C)(=O)[C@H]1CCCCN1CCCCCCCCCS 2164595884 MRLOUHGILYZHOP-INIZCTEOSA-N 319.495 5.082 30 10 DKEE C=CC1(C[C@H](O)c2cc(Cl)cc(C(F)(F)F)c2)CCC1 2200839041 HQUAOZSCIKNQLA-ZDUSSCGKSA-N 304.739 5.139 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)cc(F)c1Cl 2239684641 RWKYYZJARSDZKK-HNNXBMFYSA-N 320.279 6.144 30 10 DKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)c1c[nH]c2ccccc12 2295967803 PPOKOFKITVOKOG-UHFFFAOYSA-N 316.187 5.371 30 10 DKEE C=CCC(CC=C)c1cc(Br)cc(C(C)(C)C)c1 2316723360 ZUNWFEQZSWFUCU-UHFFFAOYSA-N 307.275 5.982 30 10 DKEE C=C1C[C@@H]1[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2319254975 HWTZOJUBCVFQAW-XPTSAGLGSA-N 304.648 5.264 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cccc(Br)c1C 2321131957 VKEVAKNBSSGHPV-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2344338577 ANXQDPUDVJJNNZ-ZUZCIYMTSA-N 320.691 5.900 30 10 DKEE CCCCCCC[C@H](O)Cc1cc(F)c(Cl)cc1Cl 2349780909 JZXCNMYNCGXRCQ-LBPRGKRZSA-N 307.236 5.396 30 10 DKEE CCN[C@H](C#Cc1cccs1)c1cc2sc(C)cc2s1 2363710414 GWHJZCROODTBFH-CYBMUJFWSA-N 317.504 5.035 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1c(Cl)cccc1Cl 2365070185 IIAKHGWCUJDXQW-DOMZBBRYSA-N 310.268 5.084 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(Cl)c(F)c1F 2370488112 SYBIBDLAAXWTOE-JKSUJKDBSA-N 301.808 5.261 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccccc1Cl 3153074 FEFPHZXBBLWODE-UHFFFAOYSA-N 309.881 6.199 30 10 DKEE CCOc1ccc(C(=O)/C=C\c2c(Cl)cccc2Cl)cc1 33410951 XJTXSCILVDCVLC-KHPPLWFESA-N 321.203 5.288 30 10 DKEE C=CCCC/C=C\CN(C/C=C/CCCC=C)CCCCC 33643326 QYIDRZVYKUGYIF-BZDBMIHYSA-N 303.534 6.304 30 10 DKEE SC[C@H](COc1cc(Cl)ccc1Cl)c1ccccc1 94582523 OJVFAXDANZKTPR-LBPRGKRZSA-N 313.249 5.086 30 10 DKEE CCCCCCCCNCc1cc(Cl)ccc1OCCC 104466039 NYIHUCGGBMBAIH-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCCCCCCC[S@](=O)c1cccc(F)c1 126004631 MBXQHOCSOUMIGF-OAQYLSRUSA-N 312.494 5.854 30 10 DKEE CCCCCCCCC(=O)c1cn(C)c2cc(Cl)ccc12 159635337 MSXBSECSCHSFJZ-UHFFFAOYSA-N 305.849 5.765 30 10 DKEE CCCCCCCCNc1c(C)cc(C)cc1Br 159750323 WXVBPGWGAJPJHB-UHFFFAOYSA-N 312.295 5.838 30 10 DKEE CCCCCCCC[C@@H](N)Cc1sccc1Br 163169579 IECDXYRUXRIHMM-GFCCVEGCSA-N 318.324 5.131 30 10 DKEE C=CCCCCC[C@H](NCCC)c1ccc(Br)o1 233124701 RLMOWHDRQXYEQC-ZDUSSCGKSA-N 314.267 5.219 30 10 DKEE CCCCCCCCC[C@@]1(O)CCN(Cc2ccccc2)[C@@H]1C 309689631 CMPJNFPKXUXOJN-TZIWHRDSSA-N 317.517 5.153 30 10 DKEE C=C(C)CCC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 405730864 UGDUYVFYTNGUSL-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698920338 IDFOGOQMBJHLJA-IBGZPJMESA-N 316.445 5.209 30 10 DKEE C=C(Cl)C[C@H](Cc1c(Cl)cccc1Cl)NCCC 710592680 SIKRHTGLBFFZGX-LLVKDONJSA-N 306.664 5.047 30 10 DKEE C=C1CCC(C[C@H](NC)c2ccc(Br)cc2C)CC1 724549650 PAKFBCWLWGIVQR-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE Cc1ccc(NN=Cc2ccc(Cl)cc2Cl)cc1Cl 1084645696 ZUVLTJSTBOJTAY-UHFFFAOYSA-N 313.615 5.401 30 10 DKEE C#C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CCC1 1878558735 MELYFRWAWRFIKT-NOZJJQNGSA-N 316.659 5.099 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(Cl)cc1F 1892439038 JLADZHZBTULLJT-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=C[C@@H](N[C@H](C)c1cc(Cl)cc(Cl)c1F)C1CCC1 1892962343 IJJGSUZBRUXFKP-YMTOWFKASA-N 302.220 5.138 30 10 DKEE C[C@@H](c1cccs1)N(CCCCS)Cc1ccccc1 1915087560 XKAQLZDYMLLKRN-HNNXBMFYSA-N 305.512 5.021 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1cccc(Br)c1 1919506658 DCMOEUCSBWNFQV-MRXNPFEDSA-N 312.295 5.070 30 10 DKEE Cc1sc(C)c(C(=O)C2=CC[C@@H](C)CC2)c1Br 1940495747 UOZSTHOJZMUBKZ-MRVPVSSYSA-N 313.260 5.057 30 10 DKEE C=C(CN(Cc1ccccc1)CC1CCCC1)c1ccccc1 1990768324 QVAGTBXRRSJOPW-UHFFFAOYSA-N 305.465 5.392 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCCC[C@H]1C 2027194314 ILAPJWPPWDGPSB-WBMJQRKESA-N 306.247 5.020 30 10 DKEE C#CCCCCC[C@H](NCC)c1cc(Cl)c(Cl)s1 2038531055 RHJFCWJGJTZVEL-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE CCCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2045655301 PIRSJHDPGBLDKZ-GFCCVEGCSA-N 308.680 6.007 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccccc2Br)CC1 2100882786 LFJWHNWPAFWLKD-QGZVFWFLSA-N 320.274 5.492 30 10 DKEE CSc1ccc([C@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)s1 2157096937 AOEZSYQSCUNQQH-HOCLYGCPSA-N 309.500 5.004 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1cc(Cl)cs1 2158612006 SUBNTZGAWGAYFT-INIZCTEOSA-N 315.954 6.583 30 10 DKEE SCCCCCCCCCN1CC[C@H](c2cccs2)C1 2179853231 FQHQRSMTFIDMRN-INIZCTEOSA-N 311.560 5.198 30 10 DKEE CCCN[C@@H](CCC#C[Si](C)(C)C)c1ccc(Cl)cc1 2187476791 PMDYBRQWTOAIJN-KRWDZBQOSA-N 307.941 5.042 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(Cl)c(OC)c1F 2203407181 AAKRUNYSGGWOLN-MRXNPFEDSA-N 301.833 5.022 30 10 DKEE C=CCCCCCC[C@H](NC)c1c(F)ccc(F)c1Cl 2206886735 UJNHJXHZUDIZPW-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCC[C@H](NC)c1occc1Br 2220091597 HNJIXSGQGMWOGJ-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=CCCCCOC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2238016927 ZCAJNWFFYFYHHS-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE Cc1cc(Br)ccc1S[C@H](C)CC(C)(C)C#N 2248565651 PAHOMHLBILYRSI-LLVKDONJSA-N 312.276 5.178 30 10 DKEE CCC(=CC(=O)c1cc(Br)cc(C(C)(C)C)c1)CC 2273010654 BUVDCBAXUACISR-UHFFFAOYSA-N 323.274 5.676 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(Cl)cc1C(F)(F)F 2287412290 BPAJKVRSIFUMIQ-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE N#Cc1cc(Cl)ccc1SC1CC2(C1)CC1(CCC1)C2 2289705869 YDCCMSVWETWLPK-UHFFFAOYSA-N 303.858 5.417 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1ccc(Cl)cc1Cl 2289786922 JWXPKJXDHFUESV-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE C=CCCCCCC[C@H](OCCN)c1ccc(SC)s1 2292771702 SHPNVUQGJCBTSL-AWEZNQCLSA-N 313.532 5.013 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2295260617 LIALPHDLPLKJGS-GFCCVEGCSA-N 305.409 5.472 30 10 DKEE Cc1cc(C#N)ccc1NCc1ccc(Cl)c(Cl)c1C 2364503209 HTLDIWGLWSCFRI-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CC[C@H](CS)CO[C@H](CC)c1ccc(C(F)(F)F)cc1 2369777981 LHDSPZOXRFQWOZ-SMDDNHRTSA-N 306.393 5.129 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2377333310 YEAFJDPFHQTPJG-INIZCTEOSA-N 318.263 5.920 30 10 DKEE CC(C)c1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc1 64438682 KEBAUOKPXLJLCO-UHFFFAOYSA-N 321.811 5.627 30 10 DKEE CC[C@]1(C)CS/C(=N\c2c(Cl)cc(Cl)cc2Cl)N1 80883069 PVTRNSJJIMYTLH-GFCCVEGCSA-N 323.676 5.139 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1 83194482 GTXURTVGBFZCNR-VMPITWQZSA-N 306.814 5.086 30 10 DKEE SCC1(COc2ccc(Cl)c(Cl)c2)CCCCCC1 94585466 VAQJPQNHCRZOHF-UHFFFAOYSA-N 319.297 5.643 30 10 DKEE CCCCCCCCCOc1ccc(C(=O)OC(C)C)cc1 106150136 BERWOQQTFGLPCJ-UHFFFAOYSA-N 306.446 5.381 30 10 DKEE CCCCCCC[C@H](Cc1ccc(Br)s1)NC 160797729 YUQPDMQGWJMZDP-GFCCVEGCSA-N 318.324 5.002 30 10 DKEE N#Cc1cc(Cl)ccc1Sc1ccc(O)c2ccccc12 163446305 MGMOQATYNXCFPC-UHFFFAOYSA-N 311.793 5.222 30 10 DKEE Cc1cc(Nc2cc(Cl)cc(C(F)(F)F)c2)ccc1C#N 169161482 FYYBLTFGQPCQAG-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCC[C@@H](NCCC)c1scc(C)c1Cl 232957995 JNBUBZXRDGLMPU-CQSZACIVSA-N 301.927 6.111 30 10 DKEE C#C[C@H](Nc1ccccc1OCc1ccccc1)c1ccccc1 328368185 CXBPQSPFUVBONT-FQEVSTJZSA-N 313.400 5.052 30 10 DKEE CCCCCCCCNc1cc(Cl)cnc1Br 384056708 XMCSULLSSHIVPP-UHFFFAOYSA-N 319.674 5.270 30 10 DKEE CSc1ccc2sc(CC#N)cc2c1SC(F)(F)F 725318392 HFIFAAOOALTRER-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C=CCn1c([C@H](C)Oc2ccccc2C(C)C)nc2ccccc21 1873513779 PFHIPPDPZXQUSH-INIZCTEOSA-N 320.436 5.486 30 10 DKEE COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)c(C)c1 1874581608 WVYMWGAHNXMTIK-PKNBQFBNSA-N 320.363 5.192 30 10 DKEE C=CCOc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1874623774 UOFVSQSLDBQHIR-NTCAYCPXSA-N 314.384 5.301 30 10 DKEE CC(C)[C@H](CS)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 1931998066 HACDADWCABADMD-AEFFLSMTSA-N 307.547 5.125 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)CC2CCCC2)C1 1946746916 SPVOCRDSFUJVIR-COPCDDAFSA-N 324.512 5.397 30 10 DKEE C=C(C)C[C@@H](NCCC)c1c(Br)sc(C)c1C 1951107293 GYFLKUHALZORPO-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@](C)(C#N)CCC1CC1 1975842320 LWGPMDPJGGBGLN-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=CCCC[C@@H](NCCC)c1scc(Br)c1C 2005225920 CMUYDYHUJSEPSO-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Br)cs1 2026020505 YCJYUAGBXKGCBF-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1c(C)cc(C)cc1C 2070168802 JIFGQTUABZESMW-KRWDZBQOSA-N 306.453 5.057 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC(C)(C)C1 2112240180 PEJJKJQWKUOAPD-SUMWQHHRSA-N 320.274 5.663 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1scnc1Cl 2142427257 GZTLJTVSCBPVPB-CYBMUJFWSA-N 300.899 5.493 30 10 DKEE C=CCCC[C@H](COc1ccc(Cl)cc1Cl)NCCC 2152445845 MJMKQADOQNOLGU-CQSZACIVSA-N 316.272 5.097 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(C(F)(F)F)cs2)C1 2161275679 YZAJKNRPCNNEIJ-BXUZGUMPSA-N 301.377 5.420 30 10 DKEE C=CCC(C)(C)OC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2187280710 LSLYSOLIFFPZRI-OAHLLOKOSA-N 316.272 5.015 30 10 DKEE C=CCCCCCCC[C@@H](O)c1c(Cl)cccc1Cl 2227269585 AIQHZXRXMCEWBA-OAHLLOKOSA-N 301.257 5.944 30 10 DKEE N#Cc1cccc(Br)c1NCCC1CCCCCC1 2269694730 ZJDXDXXQRRWJQI-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCCCCCC[C@@](C)(O)C(=O)c1cc(Cl)cs1 2295597035 QGCLMLVHPMIMIA-MRXNPFEDSA-N 316.894 5.476 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(Br)cs1 2304027691 KNCKEKKKZGPKBH-ZIAGYGMSSA-N 316.308 5.154 30 10 DKEE CCCCCCCOc1ccccc1C=NNc1ccccc1 2322922422 JIHNFIOOWYIEQI-UHFFFAOYSA-N 310.441 5.482 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2344337283 PHQPKWHGUUYXMU-BONVTDFDSA-N 320.691 5.900 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)c(F)cc1CNC1CCC1 2362445886 FDNFANFPDBIFAC-NSHDSACASA-N 313.869 5.178 30 10 DKEE C=C(C)COc1ccccc1C(=O)Nc1ccc2ccccc2c1 13627422 DHMXTQNEHKCPKZ-UHFFFAOYSA-N 317.388 5.047 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1 37937394 PPYLTBJXYFYDBP-CQSZACIVSA-N 311.599 5.324 30 10 DKEE COc1ccc(-c2csc(/N=C/C=C\c3ccccc3)n2)cc1 59386968 CSKMRFRKVMSVHQ-PQEZBVRXSA-N 320.417 5.234 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2sccc2C)c2ccccc12 83204526 NALCEPBHCUORKK-PKNBQFBNSA-N 322.429 5.505 30 10 DKEE CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)C 111393927 QYWVQMLYIXYLRE-OUKQBFOZSA-N 310.590 6.730 30 10 DKEE CCCCCCC[C@H](N)c1cc(Br)sc1C 114634065 IHAMNECOWGLPGD-LBPRGKRZSA-N 304.297 5.179 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccc(Cl)s1 115653037 KFNWCXOAPKHTHP-OAHLLOKOSA-N 316.938 6.746 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccc(Cl)c(C)c1 157921561 WNTVIWNTRFRBCG-LJQANCHMSA-N 309.925 6.440 30 10 DKEE CCCCCCCCCC(=O)c1c(Cl)cccc1Cl 164691369 FDDZMWOPLYJEJH-UHFFFAOYSA-N 301.257 6.317 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cccc(Br)c1C 229754861 JDGNBUXRWQHTTH-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCC[C@@H]1C(=O)Nc2ccc(Br)cc21 232937056 BWVUATXQEIVMJJ-ZDUSSCGKSA-N 324.262 5.235 30 10 DKEE CCC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1 254305479 JUFYVAZPIGYCLH-UHFFFAOYSA-N 307.422 5.036 30 10 DKEE Cc1ccc(N=Cc2cc(C)n(-c3ccccc3)c2C)cc1C 254748961 ICOHQFVBLXZYSI-UHFFFAOYSA-N 302.421 5.462 30 10 DKEE CC(C)(C)C#CCOc1ccc2ccccc2c1Br 302237869 BKBYTDOYZZNXGW-UHFFFAOYSA-N 317.226 5.031 30 10 DKEE CC[C@@H]1NC(=Nc2cc(Cl)c(Cl)c(Cl)c2)S[C@H]1C 404182708 ADBGZBHQQHHCOA-WKEGUHRASA-N 323.676 5.138 30 10 DKEE CCCCCCCCC/C=C/C=C/C=C/C=C/C=C\C(=O)O 575171510 SBHCLVQMTBWHCD-JZUOWUOYSA-N 302.458 5.993 30 10 DKEE C#C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(C)(C)C 702296492 VTAAVWZUTSFJOS-CABZTGNLSA-N 318.675 5.345 30 10 DKEE CCCCCCCCC[C@H](O)CCCOCc1ccccc1 719465102 LMDVDNAMJMRZHF-FQEVSTJZSA-N 306.490 5.485 30 10 DKEE O=C1C=C(c2ccccc2Cl)C[C@H](c2ccccc2Cl)C1 1088705559 OXSPCDRBNRFVGP-ZDUSSCGKSA-N 317.215 5.524 30 10 DKEE Fc1cc(-c2ccccc2C(F)(F)F)ccc1OC(F)(F)F 1848368644 MTWQVXBTAGZEHM-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCCCCCCC(=O)N1[C@@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 1866357304 YKTHKLGELCPFLK-IYWMVGAKSA-N 319.533 5.697 30 10 DKEE C=CC[C@H](C)OC[C@@H](NCCC)c1c(Cl)cccc1Cl 1913348979 LKSZFEGVCWPCQG-SWLSCSKDSA-N 316.272 5.015 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)C1CCCCC1 1938420706 LVWGRLQKSQXYJE-INIZCTEOSA-N 322.493 5.131 30 10 DKEE CC(C)=C(C)C(=O)[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1989660822 GRLMXYNANUSIJS-CQSZACIVSA-N 317.429 5.063 30 10 DKEE O[C@@H](CC#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2037472839 LWLTUMSMVQNZMZ-LBPRGKRZSA-N 303.254 5.062 30 10 DKEE C=CC[C@@H](NC)c1ccc(-c2ccc(Br)cc2)s1 2045755971 RYJWLJOXEVKAHH-CYBMUJFWSA-N 322.271 5.014 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cccc(Br)c1 2085915993 IIWIWRAOIGSGOY-INIZCTEOSA-N 311.263 5.183 30 10 DKEE C=CCC[C@H](C)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2158316994 VVUCRNJEKHYNPT-YVEFUNNKSA-N 306.858 5.704 30 10 DKEE C=CCCCCCCCCC[C@@](C)(N)c1ccc(Cl)s1 2207436764 KOQOVIWYXFNIQW-QGZVFWFLSA-N 313.938 6.272 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(C)cc(Br)c1 2227276866 UVTHMXAXVCFNJD-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE N#Cc1cccc(Br)c1Sc1cccc(Cl)c1 2248970012 LYSTWQXXCRUUEU-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c(CNC)s1 2271499202 YETIGNUOLJIHGC-UHFFFAOYSA-N 318.939 5.135 30 10 DKEE C=C(C)CCCCC[C@@H](NCC)c1ccc(Br)cc1 2271796779 HPHAJQSNMVYWAS-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1c(F)cccc1Br 2273936629 MPMXGTSYIYDSHY-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(Cl)c(Cl)cc1C 2284827315 FBNPNVNMVVOEGS-QGZVFWFLSA-N 316.316 6.226 30 10 DKEE CCCCCCC[C@](C)(N)c1c(F)ccc(OC)c1Cl 2286692020 CISYVYWMGZBDBC-INIZCTEOSA-N 301.833 5.022 30 10 DKEE CCCCCCCCC[C@@H](OCCN)c1cscc1F 2294646364 SDQGZTLWLVAPFL-MRXNPFEDSA-N 301.471 5.044 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc2sccc2s1 2295593202 ZPLVBVOTBDTVBA-QGZVFWFLSA-N 310.528 6.311 30 10 DKEE CCCCCCOc1ccc(C=CC(=O)c2ccccc2)cc1 2297707908 YAJIYJGYBSTDHM-UHFFFAOYSA-N 308.421 5.542 30 10 DKEE CCOc1c(Cl)cc(C=NNc2ccc(C)cc2)cc1Cl 2318413869 ZBVIKMPTCKLIRN-UHFFFAOYSA-N 323.223 5.147 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345153979 OKMRSDWFEZNEFK-KOLCDFICSA-N 307.837 5.592 30 10 DKEE CCCCCCC[C@@H](C)NCCc1cc(Cl)cc(Cl)c1 2366934127 OYRFMOXNFKBNDS-CQSZACIVSA-N 316.316 5.875 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 2370555352 LQQZSROEFWUESY-AWEZNQCLSA-N 304.739 5.534 30 10 DKEE CC(C)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 83193418 XDIFPTRGIXYQPM-MDWZMJQESA-N 308.421 5.493 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2ccc(F)cc2)cc1C 83193713 OZAAGWVINMAVOP-JXMROGBWSA-N 312.384 5.127 30 10 DKEE Cc1cc(Oc2cc(Cl)ccc2C#N)c(C(C)C)cc1N 87465577 XJVIBOGXFVHVPA-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE Fc1cccc(Cl)c1OCCCCCCCCCS 97799869 IDBOSFMCMDGSIV-UHFFFAOYSA-N 304.858 5.518 30 10 DKEE CCCCCCCC(=O)Nc1ccc(C)cc1Br 100426795 WZSIJHITERXLOY-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE CCCC1CCC(C#N)(Nc2ccccc2Br)CC1 110029007 DBQMBBGVSREHOW-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(F)c(Br)c1 114874586 ULNBUKOSSQJWJH-OAHLLOKOSA-N 317.242 5.372 30 10 DKEE CCCCCCCCC[C@@H](NN)c1ccc(Cl)cc1F 126205290 KYYCFNOAGRQNPJ-MRXNPFEDSA-N 300.849 5.124 30 10 DKEE CCCCCCCCCCOC(=O)CCCCCCC1CC1 138760928 HOUJUIJEYOOGOP-UHFFFAOYSA-N 310.522 6.421 30 10 DKEE CCCCCCCC[C@@H](Cc1cc(Cl)ccc1OC)NC 161912187 LFNCFPQWFNXABK-KRWDZBQOSA-N 311.897 5.230 30 10 DKEE C=C(C)CC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 164548921 CCEZYCQTZMKBRL-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE N#C[C@H](Sc1ccccc1Br)C1CCCCCC1 167879294 DIACEKKSMUYEPE-HNNXBMFYSA-N 324.287 5.404 30 10 DKEE C=C(CNc1cc(C)c(Br)c(C)c1)c1ccccc1 232032936 TXOKJMSBRLDLPB-UHFFFAOYSA-N 316.242 5.191 30 10 DKEE C=CCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 233537649 AWVSJYXGNZPDCL-INIZCTEOSA-N 314.300 5.651 30 10 DKEE CC(=Nc1sc2c(c1C#N)CCCC2)c1ccc(Cl)s1 252630227 UXJIVXQUAZRRKW-UHFFFAOYSA-N 320.870 5.354 30 10 DKEE COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(Cl)c1 587904481 NJPRERWYPXYMNP-UHFFFAOYSA-N 311.595 5.055 30 10 DKEE C=CCCC(C)(C)CNC(c1cccs1)c1cccs1 704039781 LPPNHEPALVDBFB-UHFFFAOYSA-N 305.512 5.481 30 10 DKEE C=C(Cl)C[C@H](NCC)c1cccc(OCc2ccccc2)c1 710600979 GJXIZAODRZTLFJ-IBGZPJMESA-N 315.844 5.059 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@](C)(C#N)C1CCCC1 710756491 CLPIYNPRRQSMRG-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 715751271 YNSFADRSTKKJMK-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE Cc1c(C)c(C)c(CNN=C/C=C\c2ccccc2)c(C)c1C 1088693518 GNYPEKOXVGEHQA-QGYCQOMNSA-N 306.453 5.018 30 10 DKEE CC(=Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 1088703828 AWQNXGPSMVCNJZ-UHFFFAOYSA-N 313.615 5.809 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(CCC)CCC 1922081169 VHDHKUBESNCFNC-OAQYLSRUSA-N 317.517 5.344 30 10 DKEE C=CCCCC[C@H](NCC)c1sc(Br)cc1C 2009481936 NBRPWWXPOHJPOA-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCCC[C@H]2C)c1Br 2027611309 PWQPUHSMOOVQBW-CJNGLKHVSA-N 306.247 5.020 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(C)c(Br)c1C 2045816438 SBOYBPHRSPOAIV-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2123080517 NUYCXVVZGPOJHQ-INIZCTEOSA-N 300.273 5.781 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H](O)c1ccsc1Cl 2148594573 HBMCDKDLNFRZQR-CABCVRRESA-N 317.926 5.293 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1nc(Cl)cs1 2196951920 SRQDBRZVQFWKFS-AWEZNQCLSA-N 316.942 6.107 30 10 DKEE C=CCCCCCCCNCc1cccc(Br)c1C 2227269279 YINOHNHNJAKFFZ-UHFFFAOYSA-N 324.306 5.374 30 10 DKEE C=CCCCCCCC[C@H](O)c1cccc(Cl)c1Cl 2227270484 FLZYVMVPPQWUDT-HNNXBMFYSA-N 301.257 5.944 30 10 DKEE CCCCCCCCNc1cc(Cl)c([N+](=O)[O-])cc1Cl 2234266460 QDONSJDPLUBSSX-UHFFFAOYSA-N 319.232 5.674 30 10 DKEE CC(C)(C#N)CCCSc1ccc(OC(F)(F)F)cc1 2235919771 PKAPJRIFXSNOBV-UHFFFAOYSA-N 303.349 5.007 30 10 DKEE C=CCCCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1 2237797883 OMYIBVYKRWRCEG-KRWDZBQOSA-N 315.284 6.118 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Cl)c(C)cc1F 2240613450 UUMMZFUSLNYKCI-KRWDZBQOSA-N 300.845 5.746 30 10 DKEE CCCCCCCCC[C@H](C)NCc1ccsc1Cl 2278250206 LHKGLUHLVYPHFV-AWEZNQCLSA-N 301.927 6.020 30 10 DKEE CCCCCCCCC[C@H](O)c1ncc(C(C)(F)F)s1 2279290220 AUKSPSQMDGUKKM-LBPRGKRZSA-N 305.434 5.429 30 10 DKEE FC(F)(F)Oc1ccc(SCCCCCCCS)cc1 2294765113 CRYSDELKXLHWAA-UHFFFAOYSA-N 324.433 5.558 30 10 DKEE CC(C)Oc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2295968002 SKZUNNCLAGCQNV-UHFFFAOYSA-N 320.432 5.249 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(Br)cc1Cl 2301014518 DMNWYAKYXMSKJC-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE C=CCCC[C@@H](O)c1c(C)c(C)c(Br)c(C)c1C 2323891787 NGIUEKWJZRAXRY-CQSZACIVSA-N 311.263 5.072 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340804676 JRBWSZASIKTYEF-CQSZACIVSA-N 304.236 5.530 30 10 DKEE CC[C@H]1CC[C@](C#N)(Cc2cc(Cl)c(OC)c(Cl)c2)C1 2365496672 FXQAXNCOLJCSIY-MEDUHNTESA-N 312.240 5.265 30 10 DKEE CC1(C)CC(=O)C=C(c2ccc(Cl)cc2C(F)(F)F)C1 2368135194 MCMPHIPLPOIVFE-UHFFFAOYSA-N 302.723 5.131 30 10 DKEE C=CCc1ccc(-c2ccc(-c3ccc(CC=C)cn3)cc2)nc1 6293525 AJYUEKBZAFSDRD-UHFFFAOYSA-N 312.416 5.268 30 10 DKEE O=C1/C(=C/Nc2ccccc2)[C@H](c2ccccc2)c2ccccc21 17838202 CTAWUMWLZOIMBV-LSSXRZCCSA-N 311.384 5.011 30 10 DKEE CC[C@H](Nc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl 35625056 PXUOGKZMDNEHHM-INIZCTEOSA-N 305.208 5.428 30 10 DKEE COc1cccc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1 37154672 UQGMWYPVHRHKJK-CKEIUWERSA-N 303.471 5.142 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(Cl)c(Cl)c1 59055570 JIDDRXZYDXNNFO-CYBMUJFWSA-N 302.289 6.005 30 10 DKEE SCC1(COc2cccc(Cl)c2Cl)CCCCC1 94584101 KYXSFTPQHGCOLJ-UHFFFAOYSA-N 305.270 5.253 30 10 DKEE SCCCCCCCCCOCc1ccc(Cl)cc1 97799834 KTCBBCCGXIWXRW-UHFFFAOYSA-N 300.895 5.517 30 10 DKEE CCCCCCCCC[C@H](O)[C@H]1CCC[C@H](C(F)(F)F)C1 135352009 YAQXQUMIAUJOLL-JYJNAYRXSA-N 308.428 5.857 30 10 DKEE CCCCCCCCCCCCc1cc(O)c2ncccc2c1 144837558 TUHKXEXWMYBEHD-UHFFFAOYSA-N 313.485 6.404 30 10 DKEE C=CCSc1ccccc1N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 222391972 HHRJAAWKWDHFNW-DKSSEZFCSA-N 301.499 5.591 30 10 DKEE N#Cc1ccc(Oc2ccc(Br)cc2)c2ccccc12 232451756 NXXFZCBTVQSKKM-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1cc(Cl)sc1Cl 235234904 ONNBUUVRROXYII-SSDOTTSWSA-N 315.200 5.239 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)OC1 257536105 RUXYUBRFOACSMM-MBOZVWFJSA-N 302.458 5.049 30 10 DKEE biogenic Cc1cc(Oc2ccc(Br)c(Cl)c2)ccc1C#N 313503137 DRMOVLGVDZPTAM-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](Cc1cccs1)c1cccs1 398055353 DKIHVIKWCIIRPJ-ZBFHGGJFSA-N 305.512 5.428 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC(C)(C)CC1 710742605 VFLPFPKBHIANPN-HNAYVOBHSA-N 322.493 5.275 30 10 DKEE Cc1ccccc1-c1nc2ccc(N=Cc3cccs3)cc2o1 1084519134 GIDFVEASJMKOCE-UHFFFAOYSA-N 318.401 5.615 30 10 DKEE C=CCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 1883400231 WDTPNZUWVXKOGF-UHFFFAOYSA-N 306.236 5.182 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cccc(OCc2ccccc2)c1 1903161705 RTENJWCGCPFWFZ-NRFANRHFSA-N 308.421 5.441 30 10 DKEE CCCCCCCCOC(C)(C)[C@@H](C)NCc1ccccc1 1961256522 PLTJWVIXAFEHDD-GOSISDBHSA-N 305.506 5.320 30 10 DKEE C=CCCCCCCC(=O)c1cc(C)c(Br)s1 2026017710 RIICBGIYKOZUII-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCC[C@H](C)C1 2027195715 SSKOXANESDSTTD-LRDDRELGSA-N 306.247 5.020 30 10 DKEE Cc1ccc(C=C2CCCC(=Cc3ccc(C)s3)C2=O)s1 2040454686 CBTLOJPWSRXZDD-UHFFFAOYSA-N 314.475 5.646 30 10 DKEE CCCCCCC[C@@H](C)NCc1snc(Cl)c1Cl 2048346134 MEMMLLNMXVWQRN-SNVBAGLBSA-N 309.306 5.289 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Br)ccc1C 2102111326 LYBCDXXPDLVFOK-WMLDXEAASA-N 324.306 5.401 30 10 DKEE CCCCCC#CC[C@H](NCC)c1scc(Cl)c1Cl 2138984394 AVTLPOFFJUEPFS-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ccsc1Cl 2154628860 WALBKHQADALSKP-INIZCTEOSA-N 315.954 6.712 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1cc2cscc2s1)C1CC1 2196850105 SYFUSBCPJCFFQY-DZGCQCFKSA-N 303.496 5.053 30 10 DKEE CCCCC#CCC(=O)c1ccc(Cl)cc1C(F)(F)F 2203875272 DJXFCRPOVCKDNX-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE C=CCCCCCCSc1ccc(C(F)(F)F)cc1N 2206899175 WELNROODBMAIPJ-UHFFFAOYSA-N 303.393 5.516 30 10 DKEE CCCCCCCCCOc1cccc(Br)c1C#N 2230982798 UOBDWVYJINYRPW-UHFFFAOYSA-N 324.262 5.450 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1sccc1Cl 2235526642 NEHPGEJVCVVLLY-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE CCCCCCCC[C@@](C)(N)Cc1ccc(Cl)c(Cl)c1 2240611588 KQXNJDNGDUOSIY-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE C=C(CC)C[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243558243 RCUTVMRRPLQVPT-KRWDZBQOSA-N 319.445 5.040 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cocc1Br 2258136972 QHCVGLHMZUBRJM-HNNXBMFYSA-N 314.267 5.349 30 10 DKEE COc1cc(Cl)c(C(=O)C2=CCC(C)(C)CC2)cc1Cl 2281579851 VJXGNOWSYFRKMS-UHFFFAOYSA-N 313.224 5.321 30 10 DKEE C=CCCCCC[C@H](OCCC(=O)O)c1cc(Cl)cs1 2292727897 PGJCCGSOBXNIKV-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE C=CCC[C@H](C)[C@H](OCCCN)c1c(Cl)cccc1Cl 2293143064 VREQPCWNFVFHBD-LRDDRELGSA-N 316.272 5.002 30 10 DKEE O=C1C(=CC=C(Cl)Cl)CCCC1=CC=C(Cl)Cl 2295869862 YDVJEVKUBWVGQB-UHFFFAOYSA-N 312.023 5.230 30 10 DKEE CC(C)(C)[C@](C)(CS)COc1ccc(Cl)cc1Cl 2327098707 BPSXDRCTAQQVGH-AWEZNQCLSA-N 307.286 5.354 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1cc(C2CC2)ccc1Cl 2363433815 IGDCOBMVLCBBIL-UHFFFAOYSA-N 303.192 5.486 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(Cl)c(Cl)c2C)C1 2364266353 XFVZXILBYSRSIA-CXAGYDPISA-N 313.268 5.630 30 10 DKEE CC#CCCC[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366414002 IKPWQNVVMQPVPK-OAHLLOKOSA-N 316.247 5.367 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1c(Cl)cccc1Cl 2370480998 ABRPGJUKSQOLAP-SJORKVTESA-N 314.300 6.027 30 10 DKEE Cc1ccc(/C=C\C(=O)CCc2c(Cl)cccc2Cl)cc1 33336468 GLPJMWVOFMACHH-KTKRTIGZSA-N 319.231 5.517 30 10 DKEE CCCCCCCCCC(=O)[C@H]1SCCS[C@@H]1CC 135693087 IBQWVTRLFSDSNR-HZPDHXFCSA-N 302.549 5.323 30 10 DKEE CCc1ccccc1C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 161937460 PDRSGUODBXUUON-CQSZACIVSA-N 318.203 5.046 30 10 DKEE CCCCCCCCCC(=O)c1cc2c(s1)CCSC2 164697390 KQHACDHVKIINDD-UHFFFAOYSA-N 310.528 5.861 30 10 DKEE C=CCCC[C@@H](NCCC)c1cccc(Br)c1C 167698389 UPUGQSATYSIQGT-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccc(Br)s1 168690687 OEPYKSPETQFKCS-GFCCVEGCSA-N 319.308 5.165 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](n2nc(C)c(Cl)c2C)C1 224760021 IXDMBLSGRSIYCV-KFWWJZLASA-N 307.869 5.071 30 10 DKEE Cc1cc(Cl)ccc1Nc1cc(Br)cc(C#N)c1 227606675 UVZYMMNQOHFYBJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCC[C@@H](C)Nc1cc(Br)cc(C#N)c1 227611006 UODLRGDQHBKBCZ-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(Cl)ccc1OC 228481606 DUDPGBQQWAIEKV-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(Cl)cc1Br 233558002 MQFYKXJYPZMQSJ-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE FC(F)(F)Oc1ccc(N=Cc2ccc3ccccc3c2)cc1 254795536 RKMGZQYUWSMQEX-UHFFFAOYSA-N 315.294 5.489 30 10 DKEE C=CCCC[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 382838225 GXFHLTGSPYPYBA-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE C[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC1 698911873 QUWXHICELGDMTE-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CCc1ccccc1C#Cc1ccc(Cl)cc1Br 1614826690 LMUUUFKXTIBREL-UHFFFAOYSA-N 319.629 5.065 30 10 DKEE CCCCCCCCNC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 1871277100 SZKYRQCHMJOKFR-JSGCOSHPSA-N 320.304 5.054 30 10 DKEE CC(C)=C(CSc1ccc(C)cc1)B1OC(C)(C)C(C)(C)O1 1901707472 DXOGKHSXJNTOQR-UHFFFAOYSA-N 318.291 5.055 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Br)cs1 1920136966 FBUNGHGEBSNSON-CYBMUJFWSA-N 304.297 5.045 30 10 DKEE CCCCCCCC(=O)c1cscc1OCc1ccccc1 1934835241 BKGYGMVKYZYHHT-UHFFFAOYSA-N 316.466 5.870 30 10 DKEE C=C(F)C[C@@H](N)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993580542 NDMBWAMAPUPHPP-OAHLLOKOSA-N 322.424 5.030 30 10 DKEE C=C[C@](C)(CNCC(C)C)Cc1cc(Cl)sc1Cl 2074843426 MAPDENJYEJPHBW-AWEZNQCLSA-N 306.302 5.035 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(F)ccc1Br 2085840755 BEBLERKYEOBYDB-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=CCCCCCC[C@H](N)Cc1c(Cl)cccc1Cl 2141912631 AIRZNRMYCHYOPH-ZDUSSCGKSA-N 300.273 5.390 30 10 DKEE CCCCCCCCCCCC[C@@](C)(O)[C@@H]1CCSC1 2146147463 QYSDLZRXVDNXCT-QZTJIDSGSA-N 300.552 5.802 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H](O)c1sccc1Cl 2148591159 WSHCZQJBFPFNTH-CABCVRRESA-N 317.926 5.164 30 10 DKEE C=CC1(C[C@@H](NCCC)c2ncc(Cl)cc2Cl)CCC1 2168024251 SPWZXLGRFBUCCT-CQSZACIVSA-N 313.272 5.176 30 10 DKEE N#Cc1ccc(Cl)cc1N1CCCC[C@@H]1c1cccs1 2171823978 LWMZBYZYXXFTSU-CQSZACIVSA-N 302.830 5.005 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1cc2cscc2s1 2173640907 ZBFJWMSGDBKHOY-HOCLYGCPSA-N 305.468 5.106 30 10 DKEE C=CCCCCCC[C@H](O)COc1ccc(Cl)cc1Cl 2206905954 OTZUXZVRZBFVJW-AWEZNQCLSA-N 317.256 5.260 30 10 DKEE C=CCCCCCCCCC(=O)c1c(Cl)cncc1Cl 2207375128 BKVUZVWXQXJOHR-UHFFFAOYSA-N 314.256 5.878 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc2cscc2s1 2235542560 UCBUHBDWXVODMI-OAHLLOKOSA-N 307.528 6.140 30 10 DKEE CCCCCCCC[C@](C)(O)c1nc(C(F)(F)F)cs1 2240627342 HNZFEQCOAIWZNC-ZDUSSCGKSA-N 309.397 5.120 30 10 DKEE C=C(C)CCCC[C@](O)(CC)c1cccc(Br)c1 2259209876 QCBSIHSWIUDAJM-MRXNPFEDSA-N 311.263 5.183 30 10 DKEE N#C[C@@H](CSC[C@@H]1CCCCC1(F)F)C1CCCCC1 2283106903 JWXHDOXLVSPBHD-GJZGRUSLSA-N 301.446 5.265 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1ccc(Cl)cc1Cl 2287413327 IWBKASUNFGYSDH-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE C=C(C)CCCC[C@H](O)c1c(Cl)cccc1C(F)(F)F 2287465335 JMQNFCZXDUUBNZ-ZDUSSCGKSA-N 306.755 5.529 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccccc1Cl 2294299936 DDKMXQPQSLLNGV-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE CCCCCCCC[C@H](O)c1nc(C(F)(F)F)c(C)s1 2295397939 HXHATTHWWWAHQR-NSHDSACASA-N 309.397 5.254 30 10 DKEE Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(C(C)(C)C)cc1)O2 2314519205 DFQKJENPTAVSBE-UHFFFAOYSA-N 306.405 5.217 30 10 DKEE CCCCCC=CCC=CCC=CC[C@H]1O[C@@H]1CCCC(=O)O 2333257251 VBQNSZQZRAGRIX-RTBURBONSA-N 320.473 5.428 30 10 DKEE CCCCCCC[C@H](NCC)c1c(Cl)sc(Cl)c1C 2336094996 ZPMOMYPVAGTQFT-LBPRGKRZSA-N 322.345 6.374 30 10 DKEE C[C@@H]1CCCC[C@@]1(C=O)CCCCC(F)(F)C(F)(F)F 2368118038 UEEOOVCWUKZHLC-NEPJUHHUSA-N 300.311 5.140 30 10 DKEE CCCN[C@@H](C#CC(C)(C)C)c1cc(F)c(Cl)cc1Cl 2377370946 IHSBXJIMGZFJMK-HNNXBMFYSA-N 316.247 5.223 30 10 DKEE CCN(CC)c1ccc(/N=C/c2cccc3ccccc23)cc1 59457102 WRNOQNZCXIJWAK-CJLVFECKSA-N 302.421 5.437 30 10 DKEE Cc1ccc(/C=C/C(=O)c2ccc(OC(C)C)cc2Cl)cc1 83193917 DAWQPDXQFKIQJY-DHZHZOJOSA-N 314.812 5.332 30 10 DKEE Fc1ccc(OCCCCCCCCCS)cc1Cl 97799804 UCHQNDFPIQAFNA-UHFFFAOYSA-N 304.858 5.518 30 10 DKEE O=C(/C=C\c1c(F)cccc1Cl)c1cc2ccccc2o1 97993108 ACKITEGWESQYFI-HJWRWDBZSA-N 300.716 5.121 30 10 DKEE CCCCCCCCC[C@H](Cc1csc(C)n1)NCCC 109743085 OWKJRKSSHFENLP-QGZVFWFLSA-N 310.551 5.503 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1cc(C)sc1C 109900939 GDOWYNAZFUJRGP-CYBMUJFWSA-N 303.496 5.816 30 10 DKEE CCCCCCC[C@H](C)NCc1ccccc1C(F)(F)F 109958404 QBVYHCAVMAQQHA-AWEZNQCLSA-N 301.396 5.544 30 10 DKEE CCCCCCCC[C@H](Cc1cc(F)ccc1Cl)NCC 126748609 KZCPQKBNPPMKRM-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE CCSc1cccc(Oc2ccc(Cl)cc2C)c1C#N 136706119 GSXQMOHKZVAZER-UHFFFAOYSA-N 303.814 5.424 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(C)cc(Br)c1 168338144 WSVPXEJAIPUTLF-MRXNPFEDSA-N 313.279 5.542 30 10 DKEE CCCC1CCC(Nc2ccc(C#N)c(Br)c2)CC1 228181682 UFILABPHUVBUJI-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1csc(Cl)c1 378998922 WJUBOOQYKMASJG-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE C/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccc(C(C)(C)C)cc1 396676936 UKODDXYVYOYUSW-BUHFOSPRSA-N 300.251 5.019 30 10 DKEE C=CCCCCC[C@H](N)c1cccc(NC(=O)OC(C)(C)C)c1 406264283 XYUXGXQTFGHLAM-KRWDZBQOSA-N 318.461 5.170 30 10 DKEE N#Cc1cc(Cl)ccc1-c1cc(Cl)c(Cl)c(Cl)c1 514260994 QTVFHHJEZIRXPL-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCCC1 698462604 AGBYEYJNRQKELU-SFHVURJKSA-N 308.466 5.029 30 10 DKEE c1csc(/C(=N/OCc2cccc3ccccc23)C2CC2)c1 821232903 OBIFTGLOFRDOSQ-FMQUCBEESA-N 307.418 5.232 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1c(F)cccc1Cl 1203406418 FKKKZXNMDQMJQH-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE CCCCCCCCCOc1ccc(C#N)cc1Br 1889086009 OVZGHHYDSFSYQL-UHFFFAOYSA-N 324.262 5.450 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1ccc(OCc2ccccc2)cc1 1903160364 HFSPTFKUBYHWJM-FQEVSTJZSA-N 309.453 5.128 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ccc(Br)o1 1919986613 JAWZSLUXVPVQMV-HNNXBMFYSA-N 317.267 5.390 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC12CCC2 1921631890 CGWGPHDEFPKEEB-GUYCJALGSA-N 318.258 5.417 30 10 DKEE CC(C)C[C@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1939035948 PHHOIPNSTBJBIA-HNAYVOBHSA-N 322.493 5.131 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)CC2CC2)C1 1946843386 YPSGTWSKJDNJHD-PWRODBHTSA-N 324.512 5.253 30 10 DKEE C=C(Br)CCSc1ccc(Cl)cc1Cl 1955991741 QCWXNPCLVJCNKE-UHFFFAOYSA-N 312.059 5.384 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)C(C)(C)C 1961598137 BLXVHAXXRFRDKI-UHFFFAOYSA-N 303.490 5.073 30 10 DKEE C=CCCCCCCC[C@H](COCc1ccccc1)NCCC 1995173190 KMOKXUDXECACRK-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE CCCC[C@](C)(C=O)Cc1cc(Cl)cc(Br)c1 2001884110 QJEQZBCBCNBTRX-AWEZNQCLSA-N 317.654 5.040 30 10 DKEE C=CCCCCCC[C@@H](O)c1sc(Br)cc1C 2026018695 CNKZPQRRJPRYGM-GFCCVEGCSA-N 317.292 5.379 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1cc2cccc(Br)c2o1 2102109797 BKEIFVMNYKAQHT-NHYWBVRUSA-N 322.246 5.058 30 10 DKEE C=CCCCCCC[C@H](O)Cc1cc(Cl)cc(Cl)c1 2141918028 AWDMOICHFKMHCO-INIZCTEOSA-N 301.257 5.423 30 10 DKEE CCc1cscc1C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 2153584509 MWGPSLJYIPAMBI-NSHDSACASA-N 324.232 5.107 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc2c(s1)CCSC2 2158321477 UWYTZICIIGVFKY-DYVFJYSZSA-N 309.544 5.180 30 10 DKEE C=C1C[C@@H]1C[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164165178 IMBHZGKJPNSYPV-IUODEOHRSA-N 303.858 5.295 30 10 DKEE C=C([C@H](NCCC)c1c(F)ccc(Cl)c1F)[Si](C)(C)C 2164208716 GEPWEWDSJSZTRX-HNNXBMFYSA-N 317.883 5.093 30 10 DKEE CCCCCCCCCCCCOC[C@@H](SC)[C@@H](C)N 2176253862 DMZBBYARKVLOPT-IAGOWNOFSA-N 303.556 5.003 30 10 DKEE C=C([C@H](NCCC)[C@]1(C)CCCC(F)(F)C1)[Si](C)(C)C 2188666611 PDJZABCFIBIFFH-LSDHHAIUSA-N 303.513 5.004 30 10 DKEE CCCCCCCCN(C)[C@H](c1ccc(Cl)s1)[C@H](C)N 2196735758 ACVUPIXIKOUPFR-BBRMVZONSA-N 316.942 5.082 30 10 DKEE C=CCCCCCCCCC[C@H](O)[C@H]1SCCS[C@H]1C 2207441338 HPVAALALRFYNBS-ULQDDVLXSA-N 316.576 5.281 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cscc1Br 2217302118 UPHMRLZYYIDQJQ-GFCCVEGCSA-N 318.324 6.062 30 10 DKEE CCCCCCCCCCCCO[C@@H](C(N)=S)C(C)C 2239547309 FMAUVGCOSWEKAE-MRXNPFEDSA-N 301.540 5.235 30 10 DKEE C=CCC[C@H](C)[C@H](O)c1cc(Br)cc(C(C)C)c1 2254767648 DNJRWYPILGZVIU-LRDDRELGSA-N 311.263 5.208 30 10 DKEE Cc1cccc(CCC=CC#CC(C)(C)C)c1Br 2256706263 XVCUIEYRXCDTIT-UHFFFAOYSA-N 305.259 5.296 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)c1ccc(Br)c(F)c1 2258994431 CUIGLGSSUUSFFR-RTXFEEFZSA-N 310.210 5.022 30 10 DKEE C=C1CC(C[C@@H](NC)c2cc(Br)cc(C(C)C)c2)C1 2265967008 JSPFYVNTHXJFJU-QGZVFWFLSA-N 322.290 5.189 30 10 DKEE C[C@H](Nc1c(Br)cccc1C#N)C1CCCCCC1 2269700020 QBMSMUDZGSQMHA-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=C[C@H](C)C[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273115761 FRLHNPOPUDJEJI-BLLLJJGKSA-N 324.306 5.219 30 10 DKEE CCCCCCCCC[C@H](C)NCCc1ccsc1Cl 2295679869 UBRMTVIIBJQFJH-HNNXBMFYSA-N 315.954 6.063 30 10 DKEE C=CCC(CC=C)N(C)[C@H](C)c1cscc1Br 2301019975 SPGBOCZRETVQSK-LLVKDONJSA-N 314.292 5.024 30 10 DKEE C=C([C@@H](NCC)c1ccc(Cl)c(Cl)c1C)C(F)(F)F 2339020843 CJEVXYPCWBIXBK-GFCCVEGCSA-N 312.162 5.071 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)C[C@H]1CC[C@H](C)CC1 2360453933 MRUWTXSDDAHDSY-MBOZVWFJSA-N 301.540 5.610 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2 20716683 SBMMVGUQILDFKD-WOIUINJBSA-N 317.432 5.386 30 10 DKEE O=C(/C=C/c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 83193373 TVFWZKSTDAPTBV-OVCLIPMQSA-N 318.347 5.514 30 10 DKEE CCCCCCCCC[C@H](N)c1c(Cl)cccc1Cl 157826318 URTNRQCVAYEUAW-HNNXBMFYSA-N 302.289 6.134 30 10 DKEE CCCc1ccc(Oc2ccc(C#N)cc2Br)cc1 213865678 UXEYNSQYMFTJOH-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(OC)c(Cl)c1OC 224728087 MXNMNHGPPXQFBB-AWEZNQCLSA-N 314.853 5.141 30 10 DKEE C=CCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NC 234426166 QJKVYGWOEHZEHG-ZDUSSCGKSA-N 300.273 5.260 30 10 DKEE c1ccc(N=C2S/C(=N/C3CCCC3)C3=C2CCCC3)cc1 252612956 IXUZGNMUJYCDGP-UCVCRTJZSA-N 310.466 5.675 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1cc(Cl)ccc1Cl 308066800 ZAVCRPITGZWFDW-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCNCc1cc(Cl)sc1Cl 312765726 YXRDGAMYVDAGNH-UHFFFAOYSA-N 308.318 5.895 30 10 DKEE C=CCCC[C@H](C)N[C@@H](c1ccco1)c1ccc(Cl)s1 398060456 GYUDSXPVWLLXMA-LRDDRELGSA-N 309.862 5.418 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](CC)CC1 698379012 QPDCADIOTODYIQ-FCEWJHQRSA-N 322.493 5.275 30 10 DKEE CCC[C@](C#N)(C1CCCC1)N(C(=O)OC(C)(C)C)C1CCC1 712384530 UHXATIUOAMIWPY-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=C(C)CC[C@@H](NCC)c1c(Cl)cccc1C(F)(F)F 712580910 MRLYGDIBLBVXTF-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE CCCCCCCCCCCCSC(=N)NC(C)(C)C 719114672 FFGNESMFSSMNIQ-UHFFFAOYSA-N 300.556 5.963 30 10 DKEE CC1(C)CCCCC[C@@]1(C#N)Nc1ccc(Br)cc1 719207181 NVGQMEPICAQYGV-INIZCTEOSA-N 321.262 5.114 30 10 DKEE N#CCc1c(C(F)F)sc2cc(SC(F)(F)F)ccc12 725297067 HELOXBFPXQKWEX-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE Cc1ccc(-n2c(C)cc(C=Nc3ccccc3C)c2C)cc1C 1084357491 CQABYYHPWRSVEC-UHFFFAOYSA-N 316.448 5.770 30 10 DKEE Cc1ccc(N=Cc2cccc3ccccc23)cc1Br 1084557378 XJDUDFNECFVJLI-UHFFFAOYSA-N 324.221 5.661 30 10 DKEE Fc1ccc(C#Cc2cc(C(F)(F)F)ccc2Cl)c(F)c1 1614826696 LYUIGPGEXIODGX-UHFFFAOYSA-N 316.656 5.037 30 10 DKEE CCCCCCCCN(C)c1ccc(Br)cc1C#N 1887068368 PLCKHMMYXXEHBD-UHFFFAOYSA-N 323.278 5.117 30 10 DKEE CCCCCCCCCCOC[C@@H](C)NCc1ccccc1 1914603648 HNHWAJQMNAMROV-LJQANCHMSA-N 305.506 5.322 30 10 DKEE C=C([C@H](NCC)c1cc2ccc(F)cc2s1)[Si](C)(C)C 1922872641 HCYUBFDBDHQRKR-INIZCTEOSA-N 307.510 5.125 30 10 DKEE C=CCCCC[C@H](N)c1cccc(NC(=O)OC(C)(C)C)c1C 1984511944 SOOAMBFLQTXNPF-INIZCTEOSA-N 318.461 5.088 30 10 DKEE CC[C@H]1CC=C(C(=O)c2ccccc2OCc2ccccc2)CC1 2010760522 LMLHLISVYBJEER-KRWDZBQOSA-N 320.432 5.585 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1cc(Cl)sc1Cl 2074843350 LHYQUCHUMQTJOV-AWEZNQCLSA-N 306.302 5.178 30 10 DKEE CC=C(CC)C(=O)c1ccc2cc(Br)ccc2c1 2077116910 HVIRVOMZSKQWRW-UHFFFAOYSA-N 303.199 5.141 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1snc(Cl)c1Cl 2110897373 RJZDUVATIVGQJT-LLVKDONJSA-N 319.301 5.074 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cccc(F)c1Br 2117012884 DLUWUKATYIWZMN-INIZCTEOSA-N 324.237 5.241 30 10 DKEE C=CCCCCCC[C@@]1(N)CCc2ccc(Br)cc21 2141914778 VDZYBKRSBWFSFF-QGZVFWFLSA-N 322.290 5.076 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146763683 PLLRZJBPVBWOMX-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@@H](NC)c1nn(C)c(Cl)c1Cl 2150717779 WJFXCFAYUPSCOX-GFCCVEGCSA-N 320.308 5.128 30 10 DKEE C=C1CC(CNC(C)(C)C)(Cc2ccc(Cl)cc2Cl)C1 2159583700 ISCIZNYFGDOYNF-UHFFFAOYSA-N 312.284 5.260 30 10 DKEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1c(Cl)cccc1Cl 2164481130 BDQDAQGGPANAOZ-HZPDHXFCSA-N 314.256 5.311 30 10 DKEE C#CC(C)(C)C[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2167608335 MBLPPYQNJYFZEK-CQSZACIVSA-N 304.842 5.151 30 10 DKEE CCCCCCCCn1c(Cl)nc(Cl)c1CNC(C)C 2175467682 CZKRARXLSMBLLD-UHFFFAOYSA-N 320.308 5.048 30 10 DKEE C=CCCCC[C@@H](NCCC)c1c(F)ccc(F)c1Cl 2179681336 WHEKAJNBVKESOK-CQSZACIVSA-N 301.808 5.405 30 10 DKEE C#C[C@@H](N[C@@H](CC)c1ccc(Cl)cc1Cl)C1CCCC1 2204030646 GHWFBZFHKUSZEV-SJORKVTESA-N 310.268 5.226 30 10 DKEE CCCCCCCCCCC[C@H](N)c1ncc(Cl)s1 2229655012 CNNPTZLDCRRDFN-ZDUSSCGKSA-N 302.915 5.717 30 10 DKEE CCCCCCCCCCCCOCCCCCCS 2239498846 KSTINNCSVAMEHZ-UHFFFAOYSA-N 302.568 6.414 30 10 DKEE CCCCC[C@@H](CC)Nc1c(Br)cccc1C#N 2257483291 DVNWENBSEDXITB-CYBMUJFWSA-N 309.251 5.092 30 10 DKEE N#Cc1sccc1CNc1cc(Cl)c(Cl)c(Cl)c1 2263177672 SQCLTCLMEUTPCD-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CCCCCCCCCCNC1CCP(=O)(CC)CC1 2283611243 KPDYIYOGPOKBTF-UHFFFAOYSA-N 301.455 5.262 30 10 DKEE C=CCCCCCC[C@@](C)(OCCN)c1ccc(Cl)s1 2293596598 SLLNKVQUMAYFIX-MRXNPFEDSA-N 315.910 5.119 30 10 DKEE C=C1CCC(C[C@@H](NC)c2ccc(C(F)(F)F)s2)CC1 2295008508 JIASHGCAHKPMLQ-GFCCVEGCSA-N 303.393 5.164 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccc(C)cc2C)cc1Cl 2323854687 OWIAFVUTRLCOEP-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE C=CCC[C@H](C)N(C)CCCc1cc(Cl)cc(Cl)c1 2341126554 CSCIHVIPUFLFRX-ZDUSSCGKSA-N 300.273 5.213 30 10 DKEE Cc1ccc2nc(C(C)(C)C)c(/N=N\c3cccc(C#N)c3)n2c1 71584108 HMXBZTOSNKLTIL-FCQUAONHSA-N 317.396 5.227 30 10 DKEE COc1ccc(/C=C/C(=O)c2ccc(C)c(C(C)(C)C)c2)cc1 83193431 BPOJLYWLDJJXNO-UKTHLTGXSA-N 308.421 5.197 30 10 DKEE CCCCCCCCC[C@H](Cc1ccc(F)cc1Cl)NC 112899205 KTFKEFPBUWYFNB-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1CCCc2sccc21 135635628 GESKDQQJRIGTJL-MRXNPFEDSA-N 306.515 6.268 30 10 DKEE N#CC1(Cc2ccc(Br)cc2Cl)CCCCC1 168911868 BCHKFTKWOLVEBS-UHFFFAOYSA-N 312.638 5.119 30 10 DKEE CCCCCCCCNc1cc(C(F)(F)F)cc(Cl)n1 225826815 PVOGMSWXRDMCLX-UHFFFAOYSA-N 308.775 5.526 30 10 DKEE C=CCCC[C@H](NCC)c1cc(C)c(Br)c(C)c1 228389833 IKJJNLZJUHHJOA-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE Cc1ccc(C=Nc2ccccc2OCc2ccccc2)cc1C 254424619 ZVXVDRKGDFJWIE-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE Fc1cccc(F)c1C=Nc1ccccc1Cc1ccccc1 254789869 BPYWYSFSMMUVKC-UHFFFAOYSA-N 307.343 5.306 30 10 DKEE CCCCCCCCCCCCCC[C@H](C=NO)SC 254813562 SNVACFUTEDBSOE-QGZVFWFLSA-N 301.540 6.269 30 10 DKEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698856432 IBOAARZPBGDLTR-MRXNPFEDSA-N 320.408 5.040 30 10 DKEE C=CCCC(C)(C)Nc1nccc2c(Br)cccc12 717667464 NOKPBQPCDVLWCT-UHFFFAOYSA-N 319.246 5.154 30 10 DKEE C(=Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccs1 1084401809 VNFYKDRKUDGYBP-UHFFFAOYSA-N 303.390 5.042 30 10 DKEE C=C([C@H](NCCC)c1ccc(Cl)c(Cl)c1)[Si](C)(C)C 1922972856 DEIASAYVBBZKRU-HNNXBMFYSA-N 316.348 5.468 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@]1(C=O)CCCC(C)(C)C1 1960985562 JSAPBFPXZHUSIV-YLJYHZDGSA-N 302.458 5.015 30 10 DKEE C(#CC1CCCCC1)CN(Cc1ccccc1)Cc1cccs1 1975491929 YRWFFKKQSNPVSF-UHFFFAOYSA-N 323.505 5.334 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCCC12CC2 1985665146 NXCNSHMQJYRMPT-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CCCCCCCC[C@@H](CN)N(Cc1ccccc1)C(C)(C)C 1995333609 BZRMHFNQQCNFHL-FQEVSTJZSA-N 318.549 5.365 30 10 DKEE C=CCCCC[C@@H](NC)c1sc(CC)cc1Br 2009488385 YYYYNJVYNZEBRM-CYBMUJFWSA-N 316.308 5.080 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)s1 2037471396 VVXMMVYQVQIDGS-GFCCVEGCSA-N 308.318 6.195 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cccc(Br)c2)CC1 2100880943 CIGRLELRNCYGOP-KRWDZBQOSA-N 320.274 5.492 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cccc(Cl)c1Cl 2102106430 MTRKSDNCQXJVAS-LRDDRELGSA-N 300.273 5.636 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1ccc(Cl)cc1Cl 2127973578 HAXQEVYXIQERDE-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cccc(Br)c1C 2141919721 RSKPCCVCHZNQQY-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CCCCCCCCCCC(=O)[C@H](O)c1sccc1Cl 2147059448 JAXKMRHJCWRNQX-HNNXBMFYSA-N 316.894 5.535 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(F)ccc(Cl)c1F 2154600977 YIHFJENYFDPWHR-CQSZACIVSA-N 303.824 5.759 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc3sc(C)cc3s2)CCC1 2168016735 JBZKOEYJNMNCJL-CYBMUJFWSA-N 305.512 5.668 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179257025 OROINWWAZFJMEY-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2c(Cl)cncc2Cl)CC1 2181666722 BSAZNLCDCWKVPW-LLVKDONJSA-N 312.240 5.344 30 10 DKEE N#Cc1cc(F)cc(Nc2cc(Cl)c(F)c(Cl)c2F)c1 2200729840 FHZPVOHPUXCLNW-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2200838997 GYNBJOJXGWZVPX-AWEZNQCLSA-N 307.787 5.719 30 10 DKEE C#CC(C)(C)C[C@H](NCC)c1ccc(-c2cccs2)s1 2205876931 NGPFAJJPSFNTMJ-ZDUSSCGKSA-N 303.496 5.177 30 10 DKEE C=CCCCCCCCCCC1(C#N)CCC2(CC1)OCCO2 2207373266 JRDXKNHOGHPKAS-UHFFFAOYSA-N 319.489 5.510 30 10 DKEE CCCCCCCCCOc1cccc(Br)c1N 2223187751 BSVKPPKLVWCWAK-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE C=CCCCCCCCNc1cc(Cl)c(C)cc1Cl 2227269307 YQMTUONUKFTINL-UHFFFAOYSA-N 300.273 6.240 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)cc(F)c1Cl 2231172108 BNVYIYGHPQRPST-CQSZACIVSA-N 306.252 5.883 30 10 DKEE CC1(C)CCCC[C@@]1(C=O)CCCC(F)(F)C(F)(F)F 2240468263 FZVXPXRHZQGRMP-LBPRGKRZSA-N 300.311 5.140 30 10 DKEE CCCCCCC[C@@H](C)NCCCC(F)(F)C(F)(F)F 2240475413 KNMGJKBISRRAIS-GFCCVEGCSA-N 303.359 5.303 30 10 DKEE C=CCCC[C@H](O)c1cc(Br)cc(C(C)(C)C)c1 2260285031 ZRJNFJNFXOKOLM-HNNXBMFYSA-N 311.263 5.136 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265987838 CVKQSMGNSXVCQY-QGZVFWFLSA-N 324.306 5.579 30 10 DKEE CCCN[C@@H](CC#CC1CC1)c1cc(Cl)c(Cl)cc1C 2286476683 ZHIIFTQKFDMJCP-KRWDZBQOSA-N 310.268 5.146 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@H](N)CC=CC#CC(C)(C)C 2286498447 JDRZQLQXYKBNDA-MRXNPFEDSA-N 310.268 5.297 30 10 DKEE C=C([C@H](OCCCN)c1cc(Cl)ccc1Cl)C(C)(C)C 2293347070 AUWGFSNYBWSOIE-HNNXBMFYSA-N 316.272 5.002 30 10 DKEE Clc1ccc(C(=NOCCCc2ccccc2)C2CC2)cc1 2330310241 SZGXLZLOUHWBPA-UHFFFAOYSA-N 313.828 5.104 30 10 DKEE C=CCC=CCC=CCCCCCCCc1cccc(O)c1O 2333229326 RUWDFSXBACIZCV-UHFFFAOYSA-N 314.469 6.060 30 10 DKEE C=CC[C@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341123564 WYGOTBRDUKNYHQ-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NN)c1cc(Cl)c(Cl)cc1Cl 2344460445 QXVAURZBHYZESB-ZIAGYGMSSA-N 321.679 5.144 30 10 DKEE CCCN[C@H](C#CC1CCC1)c1cc2sc(C)cc2s1 2362610738 GYGOAVUYGWRAJH-CQSZACIVSA-N 303.496 5.115 30 10 DKEE CC[C@@H]1CC[C@](C#N)(Cc2cc(Cl)c(OC)c(Cl)c2)C1 2365496670 FXQAXNCOLJCSIY-BDJLRTHQSA-N 312.240 5.265 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@H](C)c1cc(Cl)ccc1Cl 37089207 MUPIZEMSFMHTAM-SNVBAGLBSA-N 323.198 5.486 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2cc(C)c(Cl)cc2C)c1 83194314 VJGCSIGJNMUPAL-CMDGGOBGSA-N 314.812 5.252 30 10 DKEE CC(C)CC1(C(=O)[C@H](C#N)c2cccc(Cl)c2)CCCC1 94902647 QJYNHAUFLQUQAD-MRXNPFEDSA-N 303.833 5.123 30 10 DKEE CCCCCCCOc1ccc(CNCC2CCCCC2)cc1 100045984 XWALAFFFHFDGAX-UHFFFAOYSA-N 317.517 5.706 30 10 DKEE CCCCCCC[C@H](CN)N(C)[C@@H](C)c1ccc(Cl)cc1 110026789 NJCJYDUNGRTGDG-MAUKXSAKSA-N 310.913 5.021 30 10 DKEE CCCCCCCCCCCCNc1ccc(F)cc1Cl 110162613 GYHBHEGLHMYWAQ-UHFFFAOYSA-N 313.888 6.812 30 10 DKEE CCCCCCCCC[C@@H](CNC)Cc1ccc(Cl)cc1 110464966 QBNILZHEMZAZJR-GOSISDBHSA-N 309.925 5.859 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cccc(Br)c1Cl 125746522 HRELJRKDECBVGD-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCCCC(=O)c1sccc1Cl 165106792 WOACGIQLEBCBON-UHFFFAOYSA-N 314.922 6.895 30 10 DKEE CCCCCCCC[Si](C)(C)C(=O)c1ccccc1OC 195796011 XGZZOBHQEDYYBS-UHFFFAOYSA-N 306.522 5.486 30 10 DKEE CCCCCCCCC[C@H](O)Cc1ccc(F)c(Cl)c1 231090148 GEBKSAIFCOMDJR-HNNXBMFYSA-N 300.845 5.523 30 10 DKEE Cc1cc(C)c2nc(N/N=C3/CCCc4ccccc43)sc2c1 253495872 UEEAGCQGMFFQIH-PGMHBOJBSA-N 321.449 5.066 30 10 DKEE CN(C)c1ccc(C=Nc2ccc(Oc3ccccc3)cc2)cc1 254867691 LSEDTNJRQOKCEB-UHFFFAOYSA-N 316.404 5.296 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 305752495 PFTVDAIYAMCNNH-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE C=CCCCCCCN[C@@H](C)c1cccc(Br)c1 310908075 GNRNCHJCSXFJIG-AWEZNQCLSA-N 310.279 5.236 30 10 DKEE CCCCCCCCCCCCNCc1ccsc1Cl 312761661 ILVWAMZCTBERDK-UHFFFAOYSA-N 315.954 6.412 30 10 DKEE CCCCCCCCCCCCC(=O)c1csc(Cl)c1 379046725 GNYZVJWJKLZUDT-UHFFFAOYSA-N 314.922 6.895 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccsc2Br)C1 389061164 JNEPHIJXKYZADC-BXUZGUMPSA-N 312.276 5.163 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1ccc(C(F)(F)F)cc1Cl 695859124 LQGJSUKSOYRPOL-VIFPVBQESA-N 304.743 5.099 30 10 DKEE CCCCCCCCCCC(=O)c1occc1Br 696535723 CGXUWLJZZZOYSO-UHFFFAOYSA-N 315.251 5.756 30 10 DKEE C=C1CCC(COc2cc(Br)ccc2Cl)CC1 724570640 RQAUQBJZJFDHQC-UHFFFAOYSA-N 315.638 5.228 30 10 DKEE SCCCCCCCCCN(Cc1ccccc1)C1CCC1 1932000494 PJPRIDVRGLQDAK-UHFFFAOYSA-N 319.558 5.702 30 10 DKEE C#CCCCCn1ccc2cc(OCc3ccccc3)ccc21 1981775393 XGTNUBSZSLGDKU-UHFFFAOYSA-N 303.405 5.024 30 10 DKEE C#CCCCC[C@@H](NCC)c1ccccc1OCc1ccccc1 2005478738 KWAGGOZVGBSYSA-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE C=CCCCCC[C@H](NCC)c1snc(Cl)c1Cl 2048325153 VJWXOXYUWGQBFV-JTQLQIEISA-N 307.290 5.237 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccc(C2CC2)cc1 2070132966 YPQGOJYYTAHLCR-INIZCTEOSA-N 318.464 5.399 30 10 DKEE N#Cc1cc(F)c(Oc2cccc3sccc23)cc1Cl 2177390699 WRLBDIDBFOJNIA-UHFFFAOYSA-N 303.745 5.358 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc2sc(C)cc2s1 2179676458 GAVVCMASGJUJKY-AWEZNQCLSA-N 307.528 6.058 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cscc2C(F)(F)F)C1 2182172373 KPVTUDRBUIOQGO-CQSZACIVSA-N 303.393 5.164 30 10 DKEE C=CCCCCCCCCC[C@H](NN)c1ccc(Cl)s1 2207434465 CYHZXRYSTPQBIW-AWEZNQCLSA-N 314.926 5.603 30 10 DKEE C=CCCCCCCCOc1cccc(Br)c1F 2220089143 OJIJWNSZQOEKHL-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1cccc(Cl)c1Cl)NCC 2227500385 HNXRKJSCVZRXPE-IUODEOHRSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCCCCCCOCCC(N)=S 2239555442 WJLNYTFWSUZDFH-UHFFFAOYSA-N 301.540 5.380 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccsc1C(F)(F)F 2240621942 NSQWUSWQMVMNCQ-AWEZNQCLSA-N 308.409 5.725 30 10 DKEE C=C(C)CCCC[C@H](Cc1c(Cl)cccc1Cl)NC 2271835116 OLJDTHSBKDCELW-CYBMUJFWSA-N 300.273 5.260 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1c(Cl)cccc1Cl 2287467800 QAXYFOBIBYRZKO-INIZCTEOSA-N 314.300 6.171 30 10 DKEE C=CCCCCCC[C@@H](O)c1csc(C)c1Br 2303605160 PBOUOVODTAEJEB-CYBMUJFWSA-N 317.292 5.379 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1c(Cl)cccc1Br 2304123637 XEPGMWMBAHUWLG-UONOGXRCSA-N 317.654 5.128 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccccc2Cl)cc1Cl 2323603271 IQHNWWMPXDSMMN-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327886217 NCJYUSJJHJXVMU-CYBMUJFWSA-N 306.664 5.485 30 10 DKEE CCC(=NOCc1cc(Cl)ccc1F)c1ccc(C)c(C)c1 2330246492 QNMABWIQJHIEGL-UHFFFAOYSA-N 319.807 5.427 30 10 DKEE CC(=NOCc1cccc(Cl)c1)c1ccc(C(C)C)cc1 2330454009 MAHIVGLURGJBJJ-UHFFFAOYSA-N 301.817 5.404 30 10 DKEE C=CC[C@](C)(CC)[C@H](NN)c1cc(Cl)c(Cl)cc1Cl 2344460443 QXVAURZBHYZESB-KGLIPLIRSA-N 321.679 5.144 30 10 DKEE CCCC(CS)(CCC)CN(C)C[C@@](C)(CC)C(F)F 2361881941 IDQLBIWBWSRWQE-OAHLLOKOSA-N 309.510 5.116 30 10 DKEE C=CCCCCCCCC[S@@](=N)(=O)CC[C@@H](C)C(F)F 2364119376 MDJGOJCGNGBFDO-JLTOFOAXSA-N 309.466 5.241 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc(OC)c(Cl)s1 2365890060 ZZESSPTUBFSAPS-ZDUSSCGKSA-N 315.910 5.717 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(C(F)(F)F)s1 2370499692 ANZSVXUEHBIQQY-UONOGXRCSA-N 305.409 5.410 30 10 DKEE CCCC(CS)(CCC)COCc1ccccc1Cl 94583583 QAFFUWKLQBDWIH-UHFFFAOYSA-N 300.895 5.373 30 10 DKEE CC(C)CC1(C(=O)[C@@H](C#N)c2ccc(Cl)cc2)CCCC1 94902662 CXVMTGGTCPFORW-INIZCTEOSA-N 303.833 5.123 30 10 DKEE CCCCCCCNc1ccc(Cl)cc1Br 123532213 XHIHGVFTKMYDKO-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)cc1F 124669383 ONAXRDOXKMBAHL-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE Cc1ccc(Cl)cc1Nc1ccc(C(F)(F)F)c(C#N)c1 164400699 LCZFZYFRBMNYJC-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE C#CCCCOc1ccc(-c2ccc(CCCCC)cc2)cc1 205319132 RDNBRDJMPPJSGQ-UHFFFAOYSA-N 306.449 5.879 30 10 DKEE CCCCCCC[C@@H](O)c1c(F)ccc(Br)c1F 232925352 OHLZWXLXVYRCIT-GFCCVEGCSA-N 321.205 5.121 30 10 DKEE CCCCCCCc1c[nH]c2c(Br)cc(F)cc12 232959445 ILZITPADADLKBL-UHFFFAOYSA-N 312.226 5.582 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cccc(C)c1Br 233159207 RQGSBQSXRNQXJA-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE Fc1ccc(C=Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 252597486 CRJJQBUUIQSGTK-UHFFFAOYSA-N 316.335 5.385 30 10 DKEE C=CCCC[C@H](NC)c1cc(Cl)c(C)cc1Br 310404474 VJYCOORAQDPHFW-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE CCCCCCCCNCc1cc(Br)ccc1C 313696239 NVBYHAHBLJCSDB-UHFFFAOYSA-N 312.295 5.208 30 10 DKEE N#Cc1ccccc1[C@H]1CCc2ccccc2N1Cc1ccccc1 616667681 NKZRKXCATLTMGW-HSZRJFAPSA-N 324.427 5.252 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)C[C@@H](C)CC(C)(C)C1 698381783 XDODTNZKMQAZRY-YZVOILCLSA-N 322.493 5.131 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Br)c(C)c1 715777221 ZSKKXZMYZMQBQM-LRDDRELGSA-N 310.279 5.010 30 10 DKEE Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(Cl)cc1)CS2 725411210 DASOTOFIBVJVQC-LCYFTJDESA-N 300.810 5.020 30 10 DKEE C=C(COCc1ccccc1)C(=O)C1(C)CCCCCCC1 1961715861 OEPHVYKVHIWTEJ-UHFFFAOYSA-N 300.442 5.079 30 10 DKEE C[C@H](COCc1ccccc1)C[C@@]1(C=O)CCCCC1(C)C 1962015025 FNUULLKRWCAHFH-FXAWDEMLSA-N 302.458 5.015 30 10 DKEE C=CCCCCCC[C@H](N)c1csc(Br)c1 1995178756 XTVOYPQECGPYQQ-LBPRGKRZSA-N 302.281 5.037 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccccc1[C@H](CC)NCC 2013173722 HPHASRAURDVKFQ-NRFANRHFSA-N 322.496 5.330 30 10 DKEE C=CCCCCCCNc1ccc(Br)cc1Cl 2026015622 UYDHQMIXJJLDEE-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE Cc1cc(Br)cc(Oc2cc(Cl)ccc2C#N)c1 2049635391 WDPRLTVYSASLRK-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCN1CCc2c(Br)cccc2C1 2093517995 GRKDZEGJKUERNV-UHFFFAOYSA-N 324.306 5.168 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1ccc(Cl)s1 2142451027 RRIFSYVQYPLJSS-ZDUSSCGKSA-N 300.899 5.213 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(C(F)(F)F)ns1 2155035910 YMPLJPPQABWCNS-NSHDSACASA-N 308.413 5.302 30 10 DKEE C=C(C)C[C@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2164105937 WWCJJUIKCSAUQK-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C#CC(C)(C)C[C@H](NCCC)c1cc2sc(C)cc2s1 2167610225 URPDJJYDHFDLLA-ZDUSSCGKSA-N 305.512 5.361 30 10 DKEE N#C[C@]1(Cc2cc(C(F)(F)F)cs2)CCCC(F)(F)C1 2184848598 KLVHXKUGBPXQMA-NSHDSACASA-N 309.303 5.029 30 10 DKEE CC#CCCCC[C@H](NC)c1cc(-c2cccs2)cs1 2196170956 DYBHTQCXGFXTGQ-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE C=CCCCCCCCCN(C)CC(F)(F)C(F)(F)F 2207380764 BZZBRQXDMQZLLA-UHFFFAOYSA-N 301.343 5.033 30 10 DKEE CCCCCCCCCOCc1cnc(Br)s1 2216935887 OPJMAFALAPRNOI-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE Cc1cc(CC=CC#CC(C)(C)C)c(C)cc1Br 2256709463 GBVYIYQXLFISFO-UHFFFAOYSA-N 305.259 5.214 30 10 DKEE CCCCCCCC[C@H](OCCCN)c1cscc1F 2294420733 WPHZWAJASLDLDN-INIZCTEOSA-N 301.471 5.044 30 10 DKEE Cc1cc(OC(C)C)ccc1C(=O)C=Cc1c[nH]c2ccccc12 2295967779 BFJJEOIJSWRAKW-UHFFFAOYSA-N 319.404 5.160 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2318359602 BARCLOGZIMGNMH-GFCCVEGCSA-N 310.627 5.316 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1c(F)cc(C)cc1Br 2321177823 UWRMIRBZNIREIR-HNNXBMFYSA-N 313.210 5.072 30 10 DKEE CCCN[C@H](CC#CC1CC1)c1ccc(Cl)c(Cl)c1C 2364416271 YJJUFHWRZNCQKB-MRXNPFEDSA-N 310.268 5.146 30 10 DKEE C=C1CCC(C[C@@H](NC)c2c(Cl)cc(F)cc2Cl)CC1 2366411200 OTTLYOAFCARFSQ-OAHLLOKOSA-N 316.247 5.530 30 10 DKEE CCCCCCCOc1ccccc1CNCc1ccccc1 2030570 SYOLNGMRRCTDJN-UHFFFAOYSA-N 311.469 5.326 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Br)ccc1F 109773512 HLSBTNZHERANLQ-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE CCCCCCCC(=O)c1cc(Br)sc1C 114633773 LITQFZVOJPGZNA-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Br)c(C)c1 122189863 LRENLHUUKCYIBY-INIZCTEOSA-N 313.279 5.542 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1CSc2ccccc21 135560127 KJVINHFIINUENI-MSOLQXFVSA-N 306.515 5.768 30 10 DKEE CCSc1cccc(Sc2cc3ccccc3[nH]2)c1C#N 136998796 NFHYNJHICPKSCM-UHFFFAOYSA-N 310.447 5.303 30 10 DKEE CCCCCCC[C@H](NCCC)c1cccc(Cl)c1Cl 158095241 QISYYZZWYIHZGN-INIZCTEOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@@H](O)c1cccc(OC(F)F)c1 168176117 STKPXNYAGVSBSJ-MRXNPFEDSA-N 300.389 5.462 30 10 DKEE CCCCCC/C=C/CCCC/C=C/Cc1cc(O)cc(O)c1 212320106 RBMKZBCHFBGXFK-SCCLZRITSA-N 316.485 6.284 30 10 DKEE C=CCCCCC[C@@H](NCC)c1sccc1Br 233610921 LTJLMIOTDFBJBH-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(C)cnc1Br 381032420 TUMWFUZYCYUMIF-CYBMUJFWSA-N 313.283 5.313 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1c(Cl)cccc1Cl 686698152 ZEUBEXNEBMEJNJ-MRXNPFEDSA-N 312.284 5.618 30 10 DKEE CCCCCCCCCC[C@H](O)c1ncc(SC)s1 712891008 TXXCCDMJQZQNOF-ZDUSSCGKSA-N 301.521 5.429 30 10 DKEE CCCCCCCC[C@@H](N)CCc1cc(Cl)cc(Cl)c1 722125476 LYFMLCBKXIAZOV-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE C=C1CCC(C[C@H](NC)c2cccc(C)c2Br)CC1 724602353 JZVJRAKKALPXTH-INIZCTEOSA-N 322.290 5.155 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1874608704 CFNMLRHHYOYXEB-FMIVXFBMSA-N 300.785 5.025 30 10 DKEE C=C1CCC(C[C@@H](O)c2c(Cl)ccc(Cl)c2Cl)CC1 1886405801 VQMAGAWKEHPLIB-CYBMUJFWSA-N 319.659 5.817 30 10 DKEE CCC[C@@H](C#N)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921049228 LUQMWLTZLSXQJU-BLLLJJGKSA-N 305.830 5.042 30 10 DKEE CCCCCCCCC(=O)c1ccc(Br)c(C)n1 1924870192 FKZZYHRVIJPVGL-UHFFFAOYSA-N 312.251 5.086 30 10 DKEE CC(C)(C)[C@H](CS)CN(Cc1ccccc1)C1CCCC1 1932028426 DITFZRXHEQHHLZ-KRWDZBQOSA-N 305.531 5.023 30 10 DKEE C=C(C)CCCN[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1935961554 OUSIATZUODJAHW-OAHLLOKOSA-N 318.461 5.041 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)CC2CCCCC2)C1 1946754830 UOCFZYHBMCQTKI-STZQEDGTSA-N 324.512 5.397 30 10 DKEE C=CCC[C@@H](C)Cc1ccc(Cl)c(Br)c1F 1979507400 HFCFNRJOGLZUJY-SECBINFHSA-N 305.618 5.386 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCC1 1980339877 QJUDWKYEINVGOG-MRXNPFEDSA-N 322.493 5.419 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2sccc2Br)CC1 2010782200 COSIZYCYYMVHSJ-JTQLQIEISA-N 313.260 5.076 30 10 DKEE C#C[C@H](c1ccccc1)N(Cc1ccccc1)CC1CCCCC1 2019166598 PMMGIWWQEMXVPR-HSZRJFAPSA-N 317.476 5.443 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045724148 JTDGXVQYWOVIHQ-XPTSAGLGSA-N 306.664 5.510 30 10 DKEE C=CCC[C@H](C)C[C@H](NCC)c1cccc(Br)c1 2050516979 CZWFQOPQFWSECY-BBRMVZONSA-N 310.279 5.092 30 10 DKEE SCCCCCCCCCN1CCS[C@@H]2CCCC[C@@H]21 2170516327 QVLOLGPMRRUUTE-DLBZAZTESA-N 315.592 5.007 30 10 DKEE C=CCCCCCCCCC[C@H](N)C[C@H](C)P(C)(C)=O 2207402099 IMUTUUXOZSOBST-IRXDYDNUSA-N 301.455 5.412 30 10 DKEE CCCCCCCC[C@H](NC)c1nc(C(F)(F)F)cs1 2234790990 RJRVQHCUPARROZ-NSHDSACASA-N 308.413 5.173 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1c(Cl)cccc1Cl 2235520468 ZTESBXFESBSVFM-CQSZACIVSA-N 314.300 5.780 30 10 DKEE CCCCCCCCCO[C@@H](c1ccc(Cl)s1)[C@@H](C)N 2239487645 SAENHKDTQUXBIY-CZUORRHYSA-N 317.926 5.557 30 10 DKEE CCCCCCCC[C@](C)(O)c1c(Cl)cnn1C(C)C 2240616001 LJGGRBYBXYJGRZ-INIZCTEOSA-N 300.874 5.076 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(C(F)(F)F)ns1 2240620175 QFGPSPDWQXTEEZ-CYBMUJFWSA-N 309.397 5.120 30 10 DKEE C=CCCCCCCCSCC1(Br)CCC1 2244584493 UFLGDVPKFDPZET-UHFFFAOYSA-N 305.325 5.564 30 10 DKEE C=CCCCCCC(=O)c1cc(Br)c(F)cc1C 2258079490 QCMBXFFJAQGVCK-UHFFFAOYSA-N 313.210 5.216 30 10 DKEE C=C(C)CCCCOc1cc(C)c(Br)c(C)c1C 2259194482 KLDIQPIOFFFLJV-UHFFFAOYSA-N 311.263 5.500 30 10 DKEE CCCCCCCC[C@](C)(CSC(C)C)OCCCN 2293414863 YJSRDABENPPDFV-QGZVFWFLSA-N 303.556 5.003 30 10 DKEE CCOc1cccc(C=CC(=O)c2cc(Cl)c(C)cc2C)c1 2295967978 QKPVYIWEXAFFAO-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE CC(C)c1ccc(C(=O)C=CNc2cc(Cl)ccc2F)cc1 2296875851 IFXYJMLGZAQIOB-UHFFFAOYSA-N 317.791 5.411 30 10 DKEE CCCCCC=CC=C1C(=O)C=C[C@@H]1CC=CCCCC(=O)O 2297615721 VHRUMKCAEVRUBK-KRWDZBQOSA-N 316.441 5.006 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc(Cl)c(Cl)s1 2316752112 LJBAWUYOZMGOGD-ZDUSSCGKSA-N 304.286 5.474 30 10 DKEE CCC(=NOCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 2330251573 KXQPAEMYOWFSNQ-UHFFFAOYSA-N 307.437 5.205 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)[C@@H](C)SC 2361031744 UNLNENHADKTBJX-QZTJIDSGSA-N 301.584 6.027 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2370522471 QPUFHZDZJIHRMJ-IRXDYDNUSA-N 314.300 5.506 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2cc(F)ccc2F)C1 35676263 JCNYMJJWVNPISS-SLEUVZQESA-N 309.425 5.411 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(C(C)C)cc2)C1 37154763 PPODESDLAOGLOD-HHXXYDBFSA-N 301.499 6.011 30 10 DKEE CCCCCCCCOCC(=O)c1cc(Cl)ccc1Cl 59526312 ZSUCQCWABCMWKI-UHFFFAOYSA-N 317.256 5.553 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc(Cl)s2)c1 83194481 YPXYGWAJLNHHGT-VOTSOKGWSA-N 306.814 5.086 30 10 DKEE C=C(CC)C[C@H](Cc1ccc(Cl)cc1Cl)NCCC 97208486 PGSPADYJTJLYIJ-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE CC(=O)/C=C(\C)Nc1cc2c(cc1C)cc(-c1ccccc1)n2C 102782965 VTHNWHXRGBQBMF-RVDMUPIBSA-N 318.420 5.058 30 10 DKEE CC[C@@H]1O[C@@H]1C[C@@H](CC)c1ccc(OCc2ccccc2)cc1 107579402 VBIXRPXETXQTHK-JRGCBEDISA-N 310.437 5.327 30 10 DKEE CCCCCCC[C@@H](NC(C)C)c1nc2c(s1)CCCC2 109690991 MIIYUKQLAMJLQM-MRXNPFEDSA-N 308.535 5.422 30 10 DKEE CCCCCCCCNc1ccc2nc(SC)sc2c1 109790671 VAAHRYNZQTYMFP-UHFFFAOYSA-N 308.516 5.791 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2ccc(Cl)cc2)C1 110265526 SFOPNFZVNSCEER-GARXJVFOSA-N 304.865 5.051 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2cccc(C)c2)C1 110354721 XGRHXMAZAABOOI-XYJFISCASA-N 301.499 5.832 30 10 DKEE CC(C)(C)c1ccc(Sc2c(F)cc(C#N)cc2F)cc1 127486522 RMTQLGDUAAAUTC-UHFFFAOYSA-N 303.377 5.285 30 10 DKEE CCCCCCCCCCN[C@H](CC)c1ccc(Cl)cc1 129281948 GBFSRFAFCTWXNQ-LJQANCHMSA-N 309.925 6.521 30 10 DKEE CCCCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1 133080986 LBLHKFRHDAEKDX-UHFFFAOYSA-N 315.284 6.707 30 10 DKEE N#CC1([C@H](O)c2c(Cl)cccc2Cl)CCCCCCC1 156801065 OMXPXAMCSNVXKK-OAHLLOKOSA-N 312.240 5.281 30 10 DKEE C=CCSc1ccccc1N[C@H](C)Cc1ccccc1F 157250994 BNCVRAXKDURDPX-CQSZACIVSA-N 301.430 5.147 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccc(CC)s1)NCC 161227904 DFSPRPURSIDWEP-KRWDZBQOSA-N 309.563 5.972 30 10 DKEE CCn1c(C)c(/C=N/Nc2ccc(Cl)cc2)c2ccccc21 169878937 WEXOVBZASGTOGJ-UDWIEESQSA-N 311.816 5.069 30 10 DKEE O=C(C1=CCCCCCC1)c1cccc(F)c1Br 236228355 BNGUBVRLKQXUGZ-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE Fc1ccccc1N=Cc1ccc(OCc2ccccc2)cc1 254843352 NOESLAHKGISRQJ-UHFFFAOYSA-N 305.352 5.155 30 10 DKEE CCCCCCCCNc1sc(C)c(C)c1C(=O)OCC 257633602 JWQUQWGBVLFUNI-UHFFFAOYSA-N 311.491 5.314 30 10 DKEE Cc1cc(C)c(C#N)c(Sc2ccc(Cl)cc2Cl)n1 322820334 WKRTXONXZGROMK-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccccc1)[C@H](C)CC 387377055 HBKRDDQFFMODPO-GOSISDBHSA-N 321.574 5.804 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Br)oc1C 396555154 QLGBRBRALSGQPI-AWEZNQCLSA-N 314.267 5.138 30 10 DKEE CCCCCCCN[C@H](C)c1cc(Cl)cc(Cl)c1F 703723666 OCTLGNGAZWSLDY-LLVKDONJSA-N 306.252 5.754 30 10 DKEE CCCCCCCCCC[C@@]1(N)CCN(Cc2ccccc2)C1 705194666 VHNPUDQCRJRYAT-OAQYLSRUSA-N 316.533 5.121 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(C(F)(F)F)s1 717937916 NWQJNTOTRWOVMB-GFCCVEGCSA-N 307.425 5.778 30 10 DKEE C=CCCCCC[C@@H](NCC)c1csc(C(F)(F)F)c1 718632305 YDGJSFBSIDXHGM-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE CC(C)c1ccnc(Nc2cccc(Cl)c2Cl)c1C#N 1859827372 OSOGGSUZIIEPNB-UHFFFAOYSA-N 306.196 5.127 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(Cl)c(F)c1 1892439177 MAILNZDIKVYNNF-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=CC[C@@H](C)OC[C@@H](NCCC)c1ccc(Cl)cc1Cl 1913341382 NTESBHBJROKCGC-MLGOLLRUSA-N 316.272 5.015 30 10 DKEE C=CC[C@H](C)OC[C@@H](NCCC)c1cc(Cl)ccc1Cl 1913342188 WCIMMIPUVVVWKG-BLLLJJGKSA-N 316.272 5.015 30 10 DKEE C=C1CCC(C[C@@H](CCCOCc2ccccc2)NCC)CC1 1976714608 GKCAVGSBKYEFSU-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@@]1(C#N)CCCCC12CCC2 1981841737 UXELHPMXGOVEKM-WIYYLYMNSA-N 311.469 5.484 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccn(Cc2ccccc2)n1 1992772493 ZLGYYDFDKXKFPL-HXUWFJFHSA-N 314.473 5.106 30 10 DKEE C=CC1(C[C@H](N)c2c(Cl)ccc(Cl)c2Cl)CCC1 2049029577 ISZNIKQJKKBMQI-NSHDSACASA-N 304.648 5.393 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2cc(Cl)c(Cl)s2)C1 2112242338 GNGKLJUUDCKFSN-RISCZKNCSA-N 318.269 5.198 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2ccsc2C(F)(F)F)C1 2168521529 YXQFTQUFWKAPBI-AWEZNQCLSA-N 304.377 5.095 30 10 DKEE C=CCSc1ccccc1NCC1(C(F)(F)F)CCC1 2179348417 UJQDSIGFYXHQQV-UHFFFAOYSA-N 301.377 5.109 30 10 DKEE C=CCCCCC(=O)c1ccc(-c2cccc(Cl)c2)s1 2179679322 LFSQKZAJSOMVQT-UHFFFAOYSA-N 304.842 5.998 30 10 DKEE CC#CCCCC[C@@H](NCC)c1ccsc1C(F)(F)F 2196171012 FJXFKHPOUPQORV-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(Cl)c(OC)c1F 2203419012 ZIIBASYNFXDSKQ-INIZCTEOSA-N 302.817 5.056 30 10 DKEE N#C[C@@H](CNc1cc(F)c(Cl)cc1Cl)C1CCCCC1 2203784336 AFRXXZGUKGHOBY-NSHDSACASA-N 315.219 5.264 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2237892472 HQBIKLHVLBCJOU-QGZVFWFLSA-N 316.316 6.308 30 10 DKEE C#C[C@@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)C1CCCCC1 2238003199 HRAKWVOECGRESP-YVEFUNNKSA-N 310.268 5.226 30 10 DKEE CCN[C@@H](C#Cc1ccc(C)cc1)c1scc(Cl)c1Cl 2239730191 URKAGTBWWDFFNO-AWEZNQCLSA-N 324.276 5.066 30 10 DKEE C=C(C)CCCC[C@@H](O)c1c(F)cc(C)cc1Br 2259234040 WSCDJJYHHVLPOK-CQSZACIVSA-N 315.226 5.067 30 10 DKEE C=CCCCCC[C@H](OCCC(=O)O)c1csc(Cl)c1 2291455633 HNEYEOTZLLWFJK-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE O=C1C(=C2Cc3ccccc3N2)c2ccc(Cl)c3cccc1c23 2293308698 ZXSLICPAUQIWSP-UHFFFAOYSA-N 317.775 5.069 30 10 DKEE C=CCCCCCC[C@@H](OCCCN)c1cscc1Cl 2294018875 RLUYMLWQZDYNOA-MRXNPFEDSA-N 315.910 5.335 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2299506995 DALDBPPQYLRACM-PGRDOPGGSA-N 323.480 5.519 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCC)c1c(Cl)cccc1Cl 2335188721 SZXIHKINNAGBMQ-SMDDNHRTSA-N 318.313 5.342 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1ccc(C(F)(F)F)s1 2362219722 YRDLZSWSCMQKDE-GRYCIOLGSA-N 303.393 5.162 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cccc(Cl)c1Cl 2365092367 CVZWDQFFRKDZPR-SWLSCSKDSA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCCCN1CC[C@H](SC(F)F)C1 2365641721 BSQUGYBGRJCYPM-HNNXBMFYSA-N 305.478 5.323 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2370485229 CYFQIRMTJKWMDF-ZDUSSCGKSA-N 305.409 5.410 30 10 DKEE C=CCOc1ccc(CNc2cccc(Cl)c2Cl)cc1 20548710 WJDXAUYYENHMFA-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C)c1)N2 20716679 SBMMVGUQILDFKD-KNKQGSTJSA-N 317.432 5.386 30 10 DKEE CCCCCCCCSc1ccc(Br)cc1N 59199009 GYBFECGQSQDQMJ-UHFFFAOYSA-N 316.308 5.484 30 10 DKEE CCCCCCCCCCC#Cc1ccc2cc(OC)ccc2c1 101734982 YCLBKEQGFJHKPK-UHFFFAOYSA-N 322.492 6.731 30 10 DKEE CCCCCCCCCCOC(=O)c1cc(Cl)ccc1N 109895491 QBYUEDUJZJBAMR-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(C(F)(F)F)c1 110162660 UIHYGXPUYMYAAL-HZMBPMFUSA-N 316.754 5.243 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccccc1Br 112886154 QFCPQAPQPCEQMK-MRXNPFEDSA-N 313.279 5.623 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cc2c(s1)CCC2 122658024 GWFPFGUDPYQVRE-INIZCTEOSA-N 308.535 5.272 30 10 DKEE CC/C=C/C/C=C/C[C@H]1O[C@H]1CCCCCCCCCCC 136370847 HQCGSJRACGWHOF-VHNMLVNESA-N 306.534 6.977 30 10 DKEE CCCCCCCCCCCC[C@@H](CCSC)NCCC 143488912 YZYRVIWOEHULBD-IBGZPJMESA-N 315.611 6.419 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc2cc(Cl)ccc2o1 159354871 WFIYBQBLYBXTTB-MRXNPFEDSA-N 308.849 6.260 30 10 DKEE CCCCCCCCCC1=NNC(=O)[C@H]1CCCCCCCC 166259439 ZBMKFTHTQADDFM-SFHVURJKSA-N 322.537 5.980 30 10 DKEE N#Cc1sc(Sc2cc(Cl)cc(Cl)c2)nc1Cl 310160036 PUPVNHAUENGLPQ-UHFFFAOYSA-N 321.641 5.126 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(C#N)c(Br)c1 382337417 ZOJMUUGQDAKWST-CYBMUJFWSA-N 323.278 5.482 30 10 DKEE N#C[C@@H](CCC1CCCCC1)Nc1ccccc1Br 395213831 LMQMMAMFEVRJBM-CQSZACIVSA-N 321.262 5.114 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(N(CC(C)C)C(=O)OC(C)(C)C)CC1 710764698 JIMOBCLQIRXMRG-VQIMIIECSA-N 322.493 5.132 30 10 DKEE Clc1ccc(C#Cc2ccc(Cl)c(Cl)c2)cc1Cl 725404421 NEKISNWYANQOMR-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE N#Cc1ncc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1Cl 1848370433 MPWVJHFNZLZGGI-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(SCC)cc1 1859672277 YXMMHNVNILEART-UHFFFAOYSA-N 321.530 5.669 30 10 DKEE C=CCCSc1nc(-c2ccc(C(C)(C)C)cc2)cs1 1860801593 WMYKNYRERMGBDA-UHFFFAOYSA-N 303.496 5.776 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 1932045090 LRQNAFFPKYTBLE-UHFFFAOYSA-N 312.844 5.264 30 10 DKEE CCCCCCCCCN1CCC(C)=C(Br)C1 1946858435 LLXMLKRDVZXCGN-UHFFFAOYSA-N 302.300 5.112 30 10 DKEE C=CC1(CC(=O)c2cccc(OCc3ccccc3)c2)CCC1 1980009303 GTPIUDSDBVRBBU-UHFFFAOYSA-N 306.405 5.195 30 10 DKEE CCCCCCC[C@H](O)Cc1cccc(C)c1Br 2027607429 MCASUILAANVGII-HNNXBMFYSA-N 313.279 5.021 30 10 DKEE CCCCCCCCC[C@H](O)c1snc(Cl)c1Cl 2048326239 WZZSZUNQFDUKGB-JTQLQIEISA-N 310.290 5.624 30 10 DKEE CCc1ccc(C#N)c(Sc2ccc(Cl)c(Cl)c2)c1 2132307323 HUWIVPKUJZCLNL-UHFFFAOYSA-N 308.233 5.579 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)cc2Cl)CCCCC12CCC2 2173619921 UCLXWAKYGVFNDZ-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE CCCCCCCCCC[C@]1(N)CS[C@@H](C(F)(F)F)C1 2189226747 UCTPJYVZYVRTND-ZIAGYGMSSA-N 311.457 5.283 30 10 DKEE C=CC1(CN[C@@H](C)c2ccc(C(F)(F)F)s2)CCCC1 2189513196 XIICYGDXBMFWEG-NSHDSACASA-N 303.393 5.164 30 10 DKEE C=CC1(CN[C@H](C)c2ccc(Cl)c(Cl)c2)CCCCC1 2189519900 ZMSIMPLFVVVFPC-CYBMUJFWSA-N 312.284 5.781 30 10 DKEE CCCCCCCCC[C@H](C[C@H](C)P(C)(C)=O)NCC 2192519699 OWHAJDPULRLIDT-DLBZAZTESA-N 303.471 5.507 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(F)cc1Cl 2204262532 FDRDSYHXWGCKHH-MRXNPFEDSA-N 321.263 6.307 30 10 DKEE C=CCCCCCCCCCC1(O)CCP(C)(=O)CC1 2207436017 LLGJPARKKQYPOP-UHFFFAOYSA-N 300.423 5.201 30 10 DKEE CCCCCCCCCCCOCC1(Br)CCC1 2223234052 LOOFFGVLHCBDAP-UHFFFAOYSA-N 319.327 5.851 30 10 DKEE C=CCCCCCCCNc1cc(C)c(Br)c(C)c1 2227271066 JOGBAMTWNJIIOA-UHFFFAOYSA-N 324.306 6.004 30 10 DKEE C=CCCCCCCCNCc1cc(C(F)(F)F)cs1 2235518291 FFUZTSQTPJSNLM-UHFFFAOYSA-N 305.409 5.383 30 10 DKEE Cc1cc(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)sc1C 2235756367 JERFAXYWZPJPBH-NSHDSACASA-N 324.232 5.162 30 10 DKEE CCCCCCCC[C@](C)(N)c1nc(C(C)(F)F)cs1 2240617195 BMOPWENFFIXYSC-AWEZNQCLSA-N 304.450 5.179 30 10 DKEE CCCC[C@](C)(C#N)c1nc2ccc(Br)cc2s1 2264345975 VMBGDDQKAFVPJH-CQSZACIVSA-N 323.259 5.030 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](SCC2(C)CC(C(F)(F)F)C2)C1 2287330625 BUPCYXOCMOZLBB-WCCYQHBJSA-N 305.409 5.027 30 10 DKEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CS[C@H](C)[C@@H](C)S1 2287412645 FGFYQLMZCOUEAC-NCOADZHNSA-N 315.592 5.117 30 10 DKEE CCCCCCCC[C@@H](O)c1sc(C(F)(F)F)cc1C 2294987691 DYYAWBRFTHJQAH-GFCCVEGCSA-N 308.409 5.859 30 10 DKEE C=C([C@@H](NCCC)c1ccc(C(F)(F)F)s1)[Si](C)(C)C 2295259451 WVYMZHNZERNNJX-CYBMUJFWSA-N 321.484 5.241 30 10 DKEE COc1cccc(C=CC(=O)c2ccc(Cl)c3ccccc23)c1 2295967910 KAMAVLYNLZAADT-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE CCCCC[C@H](CC)OCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2301962676 VPFZNWWUIKZWGS-INIZCTEOSA-N 324.314 5.330 30 10 DKEE CCCCCCCCCOc1ccc(C=NNC)c(Cl)c1 2322999264 SASVZCKHISSZRL-UHFFFAOYSA-N 310.869 5.023 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2ccccc2Cl)c1 2323092604 MRVXTQYXIYQMEW-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE CCCOc1ccc(C=CC(=O)c2ccc(C)cc2)cc1Cl 2323900377 BJQAUIVBAXAVJY-UHFFFAOYSA-N 314.812 5.333 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1cc(Cl)ccc1Cl)NC 2344397302 RNIGZQWRCUWKCQ-HOTGVXAUSA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1c(Cl)ccc(Cl)c1F 2370488700 YJIOCMOYJRCXFU-JKSUJKDBSA-N 318.263 5.776 30 10 DKEE Cc1sc(NC(=O)/C=C\c2ccc(C(C)C)cc2)c(C#N)c1C 33288693 NYAVTQBQPCFFBE-YFHOEESVSA-N 324.449 5.012 30 10 DKEE Cc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c(Cl)c1 36805590 OQCPRFBDWQYPSP-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CC(C)(C)c1ccc(OCCCCCCCCCS)cc1 97799652 PPXYYNHIIHXCEC-UHFFFAOYSA-N 308.531 6.023 30 10 DKEE CCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21 101907263 OZFXLFSJKYKCQV-UHFFFAOYSA-N 310.416 5.813 30 10 DKEE O=C(/C=C\c1cc2ccccc2o1)/C=C\c1cc2ccccc2o1 103692832 MMUNVSXWKUUIDG-HWAYABPNSA-N 314.340 5.475 30 10 DKEE CCCCCCC[C@H](NCCC)c1ncc(Cl)cc1Cl 168244740 JFDJNGBWJOOGAO-HNNXBMFYSA-N 317.304 5.790 30 10 DKEE CC(C)c1ccccc1Nc1ccc(C#N)c(Br)c1 228174034 CACNRVRYVVDUFH-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 228392944 WFIAOBDOBJDRLO-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE Clc1ccc(N=Cc2c(Cl)cccc2Cl)cc1Cl 254696144 FVNBWPIUDLJQMR-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE Cc1ccc([C@H](C)N(C)CC2(CS)CCCCCC2)s1 387307186 RQMOPWDERRRECO-HNNXBMFYSA-N 311.560 5.320 30 10 DKEE N#C[C@@H]1CCCC[C@@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404365406 RFOGYFQEIBAVNT-UFBFGSQYSA-N 303.620 5.141 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)(CCCOCc2ccccc2)C1 688317753 ZXAPJLFSFDBRHH-UHFFFAOYSA-N 313.485 5.730 30 10 DKEE C=CC(C)(C)CCN[C@H](CC)c1ccc(Cl)c(Cl)c1 701890695 JZUJKIWDARYVKH-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE C=C1CCC(CN[C@@H](C)c2ccc(C(F)(F)F)s2)CC1 724446633 JEQFRCSAEITAKN-NSHDSACASA-N 303.393 5.164 30 10 DKEE CCCCCCCCCCNC(=O)c1cc2cc(F)ccc2[nH]1 1874095750 ZPINOWZQENOXHL-UHFFFAOYSA-N 318.436 5.178 30 10 DKEE CC(C)(C)c1ccc(Sc2ncc(C#N)cc2Cl)cc1 1917225299 BLIFKIGCQJXEIG-UHFFFAOYSA-N 302.830 5.055 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(Br)sc1C 1946701577 ZLOLPFKWJDXWGF-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1cscc1OCc1ccccc1 1958090292 IVRCMULAIULZSR-KXBFYZLASA-N 315.482 5.190 30 10 DKEE C#CCCCCn1ccc2c(OCc3ccccc3)cccc21 1981773184 ADMNLBKWHIKBMO-UHFFFAOYSA-N 303.405 5.024 30 10 DKEE C=CCCCC[C@H](NC)c1cccc(NC(=O)OC(C)(C)C)c1 1984514516 CFBVFHAQGWUHLE-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE C=CCCCCCCCC[C@]1(N)CC[C@@H]1OCc1ccccc1 1995326507 YTCUPBBBKQYULT-SFTDATJTSA-N 315.501 5.370 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2123080518 NUYCXVVZGPOJHQ-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE CC[C@](C#N)(C(C)C)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2127930743 KJUKJNLUZWKTBQ-KBPBESRZSA-N 320.647 5.256 30 10 DKEE Cc1cc(CN(C)CCCCCCCCCS)sc1C 2159460706 JAGWLTLQNAHCIT-UHFFFAOYSA-N 313.576 5.457 30 10 DKEE FC(F)(F)[C@H]1CCCCN1CCCCCCCCCS 2161764504 ODSXLUVHRQDLGE-CQSZACIVSA-N 311.457 5.064 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1cccc(Cl)c1Cl 2197140669 WTSIBORAHUJOKJ-KRWDZBQOSA-N 306.236 5.357 30 10 DKEE C=CCCCCCCCCC[C@@H](NN)c1cc(Cl)cs1 2207436297 KDWJDIKPJLPQDH-OAHLLOKOSA-N 314.926 5.603 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](NC)c1cc(Cl)sc1C 2207462522 VSDHXEIJJKPBRH-GDBMZVCRSA-N 317.926 5.082 30 10 DKEE C=CCCCCOC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2238016926 ZCAJNWFFYFYHHS-INIZCTEOSA-N 316.272 5.017 30 10 DKEE CCCCCCCCC[C@H](N)c1csc(Cl)c1OC 2268917534 PWOIZIHRDBDEHI-ZDUSSCGKSA-N 303.899 5.551 30 10 DKEE CCCN[C@H](CC=CC#CC(C)(C)C)c1ccsc1Cl 2284102674 IOEMZAKKEZQUFA-OAHLLOKOSA-N 309.906 5.438 30 10 DKEE CCc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1 2294299996 INWNVVCFBROONY-UHFFFAOYSA-N 305.204 5.452 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cccc(Cl)c1Cl 2344338424 ZGDLQRABYBHGBE-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE C=CCC(CC=C)Sc1nc(Cl)nc2sc(CC)cc12 2360313650 LENJGSOFMORLTJ-UHFFFAOYSA-N 324.902 5.520 30 10 DKEE Cc1c([C@H](C#N)Nc2ccccc2F)ccc(Cl)c1Cl 2366020462 SVJCMZJELBOSGX-AWEZNQCLSA-N 309.171 5.118 30 10 DKEE CCCCCCCC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 59211524 RRCWLJIECXAJBV-GFCCVEGCSA-N 312.240 5.530 30 10 DKEE Cc1cc(C#N)ccc1Oc1cc(Br)ccc1Cl 70543495 DKNLTNHKURFLSV-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCn1c(-c2ccccc2C)nc2ccccc21 102195046 SHSJRRGJMKOVGI-UHFFFAOYSA-N 320.480 6.372 30 10 DKEE CCCCCCCCCn1cc(CNC)c2cc(C)ccc21 107020811 HOAKTQSNCHLDTL-UHFFFAOYSA-N 300.490 5.420 30 10 DKEE CCCCCCCn1cc(CN[C@H](C)CC)c2ccccc21 107028170 SCYZSRXFOBBZCW-QGZVFWFLSA-N 300.490 5.500 30 10 DKEE CCCCCCCCCC(=O)Cc1c(Cl)cccc1Cl 109709985 AUJMLLYSFKLZLX-UHFFFAOYSA-N 315.284 6.246 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(Cl)c(F)c1 115653144 LUMYJDTUZIGFDK-KRWDZBQOSA-N 300.845 6.043 30 10 DKEE C=CCSc1ccccc1N[C@@H](CC)c1cccc(F)c1 166521283 QBCPRVOBIKAWLS-INIZCTEOSA-N 301.430 5.667 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(Br)c(C)c1 167683457 WIUAJYHHMZTZPU-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@H]2CCC[C@@H](C)C2)C1 251294416 QIIIXVKYJXFDFG-HSFUPAIVSA-N 307.547 6.043 30 10 DKEE C(=Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2n1 254763493 KBLQMCOPFRGJEI-UHFFFAOYSA-N 320.395 5.557 30 10 DKEE CC(C)CCCCC[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 394820007 PCKUYBRQJPVKPO-LJQANCHMSA-N 322.493 5.134 30 10 DKEE CSc1cccc(Nc2cc(Cl)c(C)c(Cl)c2)c1C#N 690254611 OFPDKGCZBBKXQI-UHFFFAOYSA-N 323.248 5.639 30 10 DKEE CCCc1ccccc1Oc1ccc(C#N)cc1Br 699506853 OOMJHGRADJHSIH-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE CCCCCCCNCc1cccc(Br)c1Cl 706494419 LBDJLQCLFSADGR-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE C=C1CCC(C[C@H](CSc2ccc(Cl)cc2)NC)CC1 724590569 XNOSWKZGHUVRCH-MRXNPFEDSA-N 309.906 5.157 30 10 DKEE CC/C(=N\OCc1cccc(C#N)c1)c1ccc(C(C)(C)C)cc1 821221196 RGOMRUDIMLVHED-BSYVCWPDSA-N 320.436 5.187 30 10 DKEE Oc1c(Cl)cccc1C=Nc1ccc2c(c1)oc1ccccc12 1084117712 WQZHQWPKXGZAAQ-UHFFFAOYSA-N 321.763 5.696 30 10 DKEE CSc1ccc(C=Nc2ccc(C)c(Br)c2)cc1 1084369077 DNIZHGOWZKOIDV-UHFFFAOYSA-N 320.255 5.230 30 10 DKEE C=CCn1c(-c2ccc3cc(Cl)ccc3n2)nc2ccccc21 1873514040 UALLMYNMCDBFMZ-UHFFFAOYSA-N 319.795 5.091 30 10 DKEE C#CC[C@@H](CN(Cc1ccccc1)CC1CCCCC1)C1CC1 1991268482 URXAIXSWVOSCLK-QFIPXVFZSA-N 309.497 5.118 30 10 DKEE C=CCCCCCCCCOCC[C@@H](C)NCc1ccccc1 1995326381 XOTPRJOZQGDFAX-HXUWFJFHSA-N 317.517 5.488 30 10 DKEE CC(C)c1ccc([C@@H](C)n2nc(C3CCCCC3)cc2C#N)cc1 2070086850 KTMMEQSYPGSDBR-MRXNPFEDSA-N 321.468 5.535 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1cc(Cl)cc(Cl)c1 2108213832 PKPQCBJLACGHBD-HUUCEWRRSA-N 300.229 5.137 30 10 DKEE CCC[C@]1(C)CSC(=Nc2cc(F)c(Cl)cc2Cl)N1 2138950337 IWWXDIWZCBZVQF-CYBMUJFWSA-N 321.248 5.015 30 10 DKEE N#CC1(Cc2csc(-c3cccs3)n2)CCCCCC1 2144694106 DCIRDMMMVDPSDR-UHFFFAOYSA-N 302.468 5.278 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146760225 WLXOJESXCUTYEL-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCC[C@H](O)[C@@H](NCC)c1cc(Cl)sc1C 2154425518 OLVGXSXTJCDBNI-HOCLYGCPSA-N 317.926 5.082 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(Cl)c(Cl)c2)CC1 2157121810 YUYLSAKXEJXTQQ-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE C=CCC[C@H](C)[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2158316911 URVVSJSFXKDNSH-YVEFUNNKSA-N 306.858 5.704 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1ccc(C(F)(F)F)c(Cl)c1 2158324415 PQCQCPKCBQBGBL-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2212372397 MIDMLQORWDCBOM-VSKRKVRLSA-N 311.513 5.671 30 10 DKEE C=C(CC)C[C@H](NCC)c1sc(C)c(Br)c1C 2213744795 MZVVKDBWVBIAEO-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2227316326 NUIZZPITPOUTKZ-QMTHXVAHSA-N 320.691 5.900 30 10 DKEE N#CC1(c2cc(Cl)c([N+](=O)[O-])cc2Cl)CCCCCC1 2234460938 JMHULQVEKCRUBW-UHFFFAOYSA-N 313.184 5.017 30 10 DKEE CCCCCCCCOC[C@@H](N)c1cc(Cl)cc(Cl)c1 2238008914 GRUBILYZAARQRF-MRXNPFEDSA-N 318.288 5.370 30 10 DKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)c1ccsc1Cl 2239457409 FEAQFYVTVQLCLZ-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE C=C(COCc1ccccc1)[C@](C)(O)CCCCCCCCC 2246058786 BWBOJRZDSQCSKL-OAQYLSRUSA-N 318.501 5.651 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cocc1Br 2258107722 LWVDSKXAZUXWIB-HNNXBMFYSA-N 314.267 5.219 30 10 DKEE Fc1cc(F)cc(SCC2(CS)CCCCCC2)c1 2266679755 FAIFGROPZSQDJT-UHFFFAOYSA-N 302.455 5.327 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)C[C@H](CC)CCCC 2295795197 MNIRYNUTHIQOLY-YLJYHZDGSA-N 303.556 6.000 30 10 DKEE CC(C)(C)C1=CC(=CC=C2C=CC(=O)C=C2)OC(C(C)(C)C)=C1 2297513095 HYVYRCYFTPPHMT-UHFFFAOYSA-N 310.437 5.425 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1c(C)sc(C)c1Br 2304026797 CSBKSCYHQSYINM-KGLIPLIRSA-N 316.308 5.120 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cccc(OCc2ccccc2)c1 2304041779 QGPCLQGYENINPJ-VXKWHMMOSA-N 323.480 5.519 30 10 DKEE C=CCC(CC=C)Sc1ccc(Cl)cc1C[C@@H](N)CC 2360331479 UKPIDAPEVQXIOR-HNNXBMFYSA-N 309.906 5.233 30 10 DKEE C=CCC(CC=C)SCc1cc2ccccc2nc1Cl 2360349726 JZUBGNIEDQKEEH-UHFFFAOYSA-N 303.858 5.642 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc(C)cc3)o2)cc1 33921930 VQBFAYRUKOWPKI-QBFSEMIESA-N 302.373 5.460 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)cc1C 61681913 MHGSLCAMFXWEKJ-CQSZACIVSA-N 318.203 5.100 30 10 DKEE COc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 83194254 YCUXFHMMFXQMHG-ZRDIBKRKSA-N 308.421 5.197 30 10 DKEE CC(C)(C)[C@H](CS)CSc1ccc(Br)cc1 87096722 OBKHNBPMFRDPFS-SNVBAGLBSA-N 319.333 5.133 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2c(F)cccc2Cl)CC1 87971920 KCEXJZBJDNAKPF-UHFFFAOYSA-N 307.840 5.768 30 10 DKEE N#Cc1cc2ccccc2nc1Nc1c(Cl)cccc1Cl 88170981 IPYMQOFLMBYACS-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccccc1OC(F)F 115651239 SHYOLVQGQWITPW-OAHLLOKOSA-N 300.389 5.462 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1cc(Cl)ccc1Cl 122999718 XVESLGFJGPQLAC-MRXNPFEDSA-N 317.300 6.038 30 10 DKEE O=CCCCCCCCCCCCCCO[C@@H]1CCCCO1 137774499 BIVPNBQOTJDZRW-IBGZPJMESA-N 312.494 5.410 30 10 DKEE CCCCCCCCCC[C@H](NCCC)c1snnc1C 143447059 REMAABCEEDBWAF-INIZCTEOSA-N 311.539 5.418 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(C)cc1Br 167691404 VPWCDSLKNHWKLX-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=C(CC)CC(=O)c1cc(C(F)(F)F)ccc1Br 167857086 OXCSPXYPZPBLTA-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE CCCC[C@H](CCC)Nc1ccc(Br)cc1C#N 226031812 KLILGTXHMQCOBM-AWEZNQCLSA-N 309.251 5.092 30 10 DKEE C=C([C@H](NCCC)c1cc2sccc2s1)C(F)(F)F 311554266 WSIDVDZAZLFXPQ-LBPRGKRZSA-N 305.390 5.122 30 10 DKEE CCCCCCCCCN[C@H](C)CCOCc1ccccc1 390307406 FABZGMUJNNWQJP-LJQANCHMSA-N 305.506 5.322 30 10 DKEE CCCCCCCCCC[C@H](N)CCOCc1ccccc1 395536950 TXLFGWIOXPAYQI-FQEVSTJZSA-N 305.506 5.451 30 10 DKEE N#Cc1cc(-c2cc(Cl)c(Cl)cc2Cl)cnc1Cl 514260863 FBGVZHMJSWKXPS-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCC[C@@H]1CCC[C@](C#N)(N(CCC)C(=O)OC(C)(C)C)CC1 698965223 OXHXWRMZVMVASB-APWZRJJASA-N 322.493 5.276 30 10 DKEE C=CC(C)(C)CCN[C@H](CC)c1ccc(Cl)cc1Cl 701891665 RCZAAWSPMVLKQK-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)C1(C)CCCCCC1 712373319 MWTNPHFIVUZHEX-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE N#Cc1ccc(Cl)cc1-c1cc(Cl)c(Cl)cc1Cl 1848359937 DGHJGCBNDPSJJQ-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCC[C@H](C)C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911717732 UVARPEBJZBTPNN-AWEZNQCLSA-N 317.429 5.052 30 10 DKEE C=CCCCCCC[C@](C)(N)c1ccc(Br)s1 2026017854 UEGHYLUNJIFCNJ-AWEZNQCLSA-N 316.308 5.211 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(C)c(Br)c1C 2045806930 RUGIGFSCJAUZLD-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE C=CCCCCCCN(C)Cc1cccc(Br)c1 2085849532 LRPNKZIWTLBCJB-UHFFFAOYSA-N 310.279 5.017 30 10 DKEE CC(F)(F)C1CCN(CCCCCCCCCS)CC1 2154416033 LNCPNGJFRQYFOU-UHFFFAOYSA-N 307.494 5.014 30 10 DKEE C=C(C(=O)c1ccc(-c2ccc(F)cc2)s1)[Si](C)(C)C 2164074434 ZZFIJMSOMYWAQF-UHFFFAOYSA-N 304.462 5.171 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1cc(Cl)ccc1Cl 2173629152 LRUYTMWHDIRAST-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE CN(CCCCCCCCCS)[C@H]1CCCCC1(F)F 2197024167 LTEFRWHSJWCRTP-HNNXBMFYSA-N 307.494 5.157 30 10 DKEE C#C[C@@H](N[C@@H](CC)c1ccc(Cl)c(Cl)c1)C1CCCC1 2204030723 HCIMCLPYLNNZNW-SJORKVTESA-N 310.268 5.226 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)c(F)cc1Cl 2204280537 FIODAFLJAMKKOV-MRXNPFEDSA-N 320.279 6.144 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1ccc(SC)s1 2207442230 PLNBFYNPAJTMGG-AWEZNQCLSA-N 312.548 5.281 30 10 DKEE CCCCCCCC[C@@H](C)NCc1coc(Br)c1 2223867584 IAHUJDMAANCPPT-CYBMUJFWSA-N 316.283 5.271 30 10 DKEE Clc1cc2ccn(CC#CC3CCCCC3)c2cc1Cl 2283565741 HVIDOERZDMPRQG-UHFFFAOYSA-N 306.236 5.532 30 10 DKEE Cc1ccc(C(=O)C=Cc2c3ccccc3cc3ccccc23)cc1 2295149729 GOBDEDKAAMHGLN-UHFFFAOYSA-N 322.407 6.198 30 10 DKEE CCCCCCCC[C@H](NCC)c1sc(Cl)cc1OC 2295768945 ODBRMIQJEKSGDO-ZDUSSCGKSA-N 317.926 5.811 30 10 DKEE C=CCCCOc1c(Cl)cc(CN[C@@H](C)CC)cc1Cl 2296253890 QIWUJENJRDIQAO-LBPRGKRZSA-N 316.272 5.227 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cc(C)c(Br)c(C)c1 2321222770 CPBTWELBHHCWCX-HZPDHXFCSA-N 311.263 5.092 30 10 DKEE C=C([C@H](NCC)c1ccc(Cl)c(Cl)c1C)C(C)(C)C 2339018163 SBWXPNVNQQWMTH-HNNXBMFYSA-N 300.273 5.555 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2365078547 MFYTXBGNSAWHAA-XJKSGUPXSA-N 310.268 5.084 30 10 DKEE Cc1ccn2c(/N=N\c3ccccc3C#N)c(C(C)(C)C)nc2c1 71582452 YGLLALZBNDFBLT-FCQUAONHSA-N 317.396 5.227 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426756 PVCLUVJIHYRAPI-OUCADQQQSA-N 308.878 5.182 30 10 DKEE Cc1cc(C)c(C(=O)/C=C/c2c[nH]c3ccccc23)c(C)c1Cl 83194245 ADPLSRYPCGDDBF-CMDGGOBGSA-N 323.823 5.643 30 10 DKEE CCCCCCCNCc1ccc(OCCC(C)C)c(OC)c1 100126159 BFYBUXLEFKATTN-UHFFFAOYSA-N 321.505 5.180 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(F)cc1Br 109766223 JBIAZULNFMGWCG-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE CCCCCC(CCCCC)Nc1ccc(C#N)c(Cl)c1 109772229 HHFPEMIPVFFOME-UHFFFAOYSA-N 306.881 6.153 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(Cl)ccc1Cl 122214784 ORFIPGNTHYIFTG-INIZCTEOSA-N 317.304 5.639 30 10 DKEE CSc1cccc(Nc2c(Cl)ccc(C)c2Cl)c1C#N 136605996 VMUPOZWHQURIQJ-UHFFFAOYSA-N 323.248 5.639 30 10 DKEE C=C(C)CC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 164545278 PRJIVRXTSXXMHJ-ZDUSSCGKSA-N 300.273 5.260 30 10 DKEE CCCCCCCOc1ccc(/C=N/c2ccc(C)cc2)cc1 196208789 KGJRVCMBUJUPFD-OQKWZONESA-N 309.453 6.095 30 10 DKEE Brc1sc2ccccc2c1/C=N/c1ccccc1 196592513 VLMXPWJDFUVWAQ-LICLKQGHSA-N 316.223 5.414 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(F)c(Cl)c1 232035061 ZXEJTKZQZZVMAA-UHFFFAOYSA-N 306.252 6.295 30 10 DKEE Cc1ccsc1C=Nc1ccc(SC(F)(F)F)cc1 254480543 WRIVFIXMCVOZSK-UHFFFAOYSA-N 301.358 5.419 30 10 DKEE C=CCCC[C@@H](NC)c1cc(Cl)c(C)cc1Br 310404475 VJYCOORAQDPHFW-CQSZACIVSA-N 316.670 5.028 30 10 DKEE CCCCCCC[C@@H](O)c1cc(F)c(F)cc1Br 310757914 XQAGDYOPPQVHIU-CQSZACIVSA-N 321.205 5.121 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCCC[C@@H]1C 314522498 GOTIHNWXEIWNMF-XJKSGUPXSA-N 306.247 5.020 30 10 DKEE CCCC1CCC(C=O)(Cc2ccc(Br)cc2)CC1 317624772 UXCBSISORHHNNJ-UHFFFAOYSA-N 323.274 5.167 30 10 DKEE CCCC(CS)(CCC)CN(CC(C)C)CC(F)(F)F 386999974 IHLYUAOJOPQGNT-UHFFFAOYSA-N 313.473 5.023 30 10 DKEE CCCCCCCCCCCCNCCSC(C)(C)C 397252096 DYNGVCLBUVFDGH-UHFFFAOYSA-N 301.584 6.029 30 10 DKEE CCCCCCCCC[C@@H](O)c1sncc1Br 712096027 JUZYUWPAZSLIFG-GFCCVEGCSA-N 320.296 5.080 30 10 DKEE C=C(C)CCC[C@H](C)CCN(N=C(C)CC)c1ccccc1 1081817142 VEWYJIFZRRHJQD-SFHVURJKSA-N 300.490 6.052 30 10 DKEE C(=Nc1ccc(Oc2ccccc2)cc1)c1cccc2ccccc12 1084082066 AHNQYJNFCIUZGP-UHFFFAOYSA-N 323.395 6.383 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1csc(C)c1Br 1902877441 SMOLTFOAKXJGJW-LLVKDONJSA-N 322.699 5.002 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 1931997710 BOSBJPHUICLMHX-HNNXBMFYSA-N 312.844 5.263 30 10 DKEE CCCCCCCCNCc1scc(C)c1Br 1950868470 ZWKNAWPSRKGTQN-UHFFFAOYSA-N 318.324 5.269 30 10 DKEE C=CCCCCCCCCO[C@H](CC)CNCc1ccccc1 1995325498 LDSRXISTTZZCDE-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE C=CC1(CNc2ccc(Br)c(Cl)c2F)CCC1 2002629380 CAWSFSPBRFXLDB-UHFFFAOYSA-N 318.617 5.010 30 10 DKEE CCCCCCCCCC[C@@](C)(N)C(F)(F)C(F)(F)F 2182462299 OGVMOZOWIMCUQM-GFCCVEGCSA-N 303.359 5.432 30 10 DKEE CCCCCCCCCCNC(C(F)(F)F)C(F)(F)F 2183982771 QHXPGKMSUFRNTH-UHFFFAOYSA-N 307.322 5.210 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1ccc(Cl)cc1Cl 2203787209 JXJBGZJSJXJOQP-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cc2cscc2s1 2203818041 CNSSXMFLLVWNCJ-HNNXBMFYSA-N 305.512 5.587 30 10 DKEE CCCCC#CC[C@H](NCC)c1ccsc1C(F)(F)F 2203823969 RNCLRJZIASGTCG-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1ncc(SC)s1 2207434702 GNUGIBQVMRFPMH-AWEZNQCLSA-N 312.548 5.432 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1cc(C)c(Cl)s1 2207442575 SHDGRXKBBKSTSM-AWEZNQCLSA-N 314.926 5.521 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(Cl)cc(Cl)c2Cl)CC1 2220110169 MCSYRIZBHFJHQN-QMMMGPOBSA-N 303.616 5.576 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1cc(Cl)ccc1Cl 2231485251 ZWJOCARLLLDNAD-OLZOCXBDSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1ccc(Cl)s1 2235520478 ZUSUBTJAUZZQOC-OAHLLOKOSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCCSc1ccc([C@@H](C)N)cc1Cl 2287080741 UXIYXPQWDPCPCW-CQSZACIVSA-N 311.922 5.978 30 10 DKEE C=CCCCCC[C@@H](OCCC(=O)O)c1ccc(Cl)s1 2291445382 LPFVYKFMYWJXAF-GFCCVEGCSA-N 316.850 5.070 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(CCN)cc1Cl 2296265823 BRGIOLTUIOSZOA-UHFFFAOYSA-N 316.272 5.010 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1)c1ccc2ccccc2c1O 2296667011 FSDAZTFQWAZVCC-UHFFFAOYSA-N 308.764 5.095 30 10 DKEE N#C[C@H]1CCCCC[C@H]1SCc1ccccc1Br 2318741097 DTJPPQKNYULXDO-IUODEOHRSA-N 324.287 5.155 30 10 DKEE CCCCCOc1ccc2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324262300 ONXGUUPHACLTAO-UHFFFAOYSA-N 322.404 5.180 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2370486198 IRWOPQYCBLSRNJ-IRXDYDNUSA-N 314.300 5.506 30 10 DKEE Cc1oc(/N=C/c2ccc(F)cc2)c(-c2ccc(F)cc2)c1C#N 102547 AKZHHYZWTZWZPI-FOKLQQMPSA-N 322.314 5.156 30 10 DKEE O=C(/C=C\c1ccc(F)cc1)c1ccc(C2CCCCC2)cc1 34856844 GMSVQGGWTSMJEB-NVNXTCNLSA-N 308.396 5.770 30 10 DKEE N#Cc1cccc(CSCc2c(Cl)cccc2Cl)c1 58238445 IYZZBFWSMJVQTF-UHFFFAOYSA-N 308.233 5.298 30 10 DKEE CC(C)(C)c1ccc(OCC2(CS)CCCCCC2)cc1 94582794 WDJIJIRTQVBPMQ-UHFFFAOYSA-N 306.515 5.633 30 10 DKEE C=C(CC)COc1c(Cl)cc(Cl)cc1CNC(C)(C)C 97191515 JZBSCWAREBLRKY-UHFFFAOYSA-N 316.272 5.227 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)[C@H]1CCSC1 143496709 VUZGURFFPUTOJN-OALUTQOASA-N 313.595 6.029 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(C)c(Br)c1 167747332 VIBJAUTUQBPKGR-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCC[C@@H](C)Oc1ccc(C#N)c(Br)c1 228200749 GTNLWZVENMCCTD-GFCCVEGCSA-N 310.235 5.058 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(F)c(Cl)c2)cc1Cl 232039703 YGTBADHFHHYODA-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 405600552 HCDRKWWQFUHKIB-UHFFFAOYSA-N 317.429 5.353 30 10 DKEE C=C(C)C[C@H](NCCC)c1c(Cl)cccc1C(F)(F)F 712553582 MULHRTOZBWTADM-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE FC(F)(F)c1ccccc1C#Cc1cc(Cl)ccc1Cl 1614827386 WYYBDSOCAFGXST-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE Cc1c(F)c(F)c(-c2ccccc2C(F)(F)F)c(F)c1F 1848368891 NZCOGUPXWXQHFN-UHFFFAOYSA-N 308.196 5.237 30 10 DKEE CCCCCCCCCOc1cccc(NC(=O)CCCC)c1 1860088629 DBSIRLLAKKSQBY-UHFFFAOYSA-N 319.489 5.945 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)CC(C)(C)C 1918029104 HDFANFPRMODLBB-HXUWFJFHSA-N 303.556 6.000 30 10 DKEE C=C([C@@H](NCC)c1scc(Cl)c1Cl)[Si](C)(C)C 1923046902 QRRBEESRPFTJQQ-LLVKDONJSA-N 308.350 5.139 30 10 DKEE CCCCCCCCC[C@@H](N)c1nc(Br)cs1 1950109341 XLEBHNKRPPALJV-LLVKDONJSA-N 319.312 5.046 30 10 DKEE C=CCCCCNc1cc(F)c(Br)c(Cl)c1 1984511869 SFNZIOPEGURQIF-UHFFFAOYSA-N 306.606 5.010 30 10 DKEE C=CCCCC[C@@H](NC)c1cccc(OCc2ccccc2)c1 1984521992 PEKQIYCEQOUGRG-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE C=CC1(CC(=O)c2c(Br)sc(C)c2C)CCC1 2002623046 PQTDMRUMOXNWHM-UHFFFAOYSA-N 313.260 5.057 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cscc2Br)CC1 2010784781 QBXJQZCBAIPKEP-JTQLQIEISA-N 313.260 5.076 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1cccc(C)c1 2070125955 ZMHXMKIQHAAIIY-OAQYLSRUSA-N 306.453 5.220 30 10 DKEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C2CCCC2)cc1C#N 2070138560 RAXUDISIRXYPBF-HXUWFJFHSA-N 307.441 5.029 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1Cl 2081440881 LRVBUQGIHCSONV-CQSZACIVSA-N 308.680 6.007 30 10 DKEE C=C(Br)CCN(C)CC1CC(C)(C)CC(C)(C)C1 2083005361 ZPHZKBUZSADWFP-UHFFFAOYSA-N 316.327 5.069 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(C)ccc1Br 2085852078 NQFBSBQZYHLEDT-MRXNPFEDSA-N 311.263 5.318 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1cc2cccc(Br)c2o1 2102109798 BKEIFVMNYKAQHT-XHDPSFHLSA-N 322.246 5.058 30 10 DKEE C=CCCCCC[C@@H](NCC)c1c(Cl)cncc1Cl 2107858820 ZTKNWMNWKUASGG-CQSZACIVSA-N 301.261 5.176 30 10 DKEE CCCC[C@@](C)(C#N)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2108209510 ZYOQMJISDJJSLL-KGLIPLIRSA-N 320.647 5.400 30 10 DKEE C=C[C@H](C)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2116658759 RZNAQEUAKIQLJN-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc(Cl)c(Cl)s1 2141924690 WXTNANXVRXYEHK-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccccc1Br 2142442872 AEIPKGWPLUIEAE-KRWDZBQOSA-N 324.306 5.756 30 10 DKEE CCCCC[C@H](CC)OCc1ccc(Br)cc1C#N 2142462013 POEIKMJXIHLYSW-INIZCTEOSA-N 324.262 5.196 30 10 DKEE C[C@@H](Nc1cc(F)c(Cl)cc1Cl)c1cccc(C#N)c1 2203779665 APKPIFPBQQRFBR-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2206899853 NRMNCYYDMIXWEE-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccc(Cl)c(Cl)c1 2231925257 WQLOKMFTOGJNRA-ZDUSSCGKSA-N 302.289 6.544 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCC1)c1cc(Cl)ccc1Cl 2234053637 LKCSJTQGJWDFBQ-CQSZACIVSA-N 310.224 5.140 30 10 DKEE FC(F)(F)[C@H]1CC[C@@H](OCC2(CS)CCCCC2)CC1 2239959082 SRXJSUBMOGEWLQ-BETUJISGSA-N 310.425 5.004 30 10 DKEE C=CCCCSc1ccc([C@H](C)NC)c(C(F)(F)F)c1 2287181274 HVFXSCVULCMXMG-NSHDSACASA-N 303.393 5.044 30 10 DKEE C=CCCCCC[C@@H](OCCC(=O)O)c1cscc1Cl 2292699268 NLYRUDWYDOULNI-CQSZACIVSA-N 316.850 5.070 30 10 DKEE C=CC[C@H](C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2344345827 OSMMEVDIKMNUGR-LRDDRELGSA-N 324.306 5.219 30 10 DKEE C=C1CCC(C[C@@H](N)c2cc(F)c(Cl)cc2Cl)CC1 2349778068 HSQOKRZJRPWQSG-OAHLLOKOSA-N 302.220 5.269 30 10 DKEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CN[C@H](C)CC 2360365770 QBOFVFCFCSZXIE-NEPJUHHUSA-N 315.885 5.424 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cc(C(F)(F)F)ccc1Cl 2370482968 QDACJGHNGJQQJL-ZIAGYGMSSA-N 305.771 5.351 30 10 DKEE N#CC1([C@@H](O)c2cc(F)c(Cl)cc2Cl)CCCCCC1 2377349821 IWXKDTRSNWZATE-AWEZNQCLSA-N 316.203 5.030 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2 14548833 KYAZTHJCMMFORA-GQIGUUNPSA-N 323.461 5.530 30 10 DKEE O=C1/C(=C/c2ccccc2)CCC/C1=C\c1ccc(Cl)cc1 27469493 JVNRKLUOBQCOLV-HBKJEHTGSA-N 308.808 5.560 30 10 DKEE Cc1cccc(/C=C2\SC/C(=C/c3cccc(C)c3)C2=O)c1 35080508 FTTVEJUDKAEMHH-ZAORYEFMSA-N 306.430 5.044 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCCC1)c1c(Cl)cccc1Cl 36930418 QNBOSXDTMWXIFY-ZDUSSCGKSA-N 324.251 5.530 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)c(F)c2)C1 37156540 YSLNHWKECJNPSO-MQIPJXDCSA-N 309.425 5.411 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccc(F)c(Cl)c1 109749249 URUZTAIAUDDALQ-GOSISDBHSA-N 313.888 6.270 30 10 DKEE CCCCCCCCC[C@@H](NCCC)[C@@H]1CSCCS1 124426162 LETXNAMHNTWSKB-SJORKVTESA-N 317.608 5.344 30 10 DKEE CCCCCCCCCCN[C@@H]1CSCc2ccccc21 129284267 WEOBQLOTMHMZNQ-LJQANCHMSA-N 305.531 5.705 30 10 DKEE CCCCCCCCOc1ccc(-c2ccc(CN)cc2)cc1 144044521 LPGJKOYMPIYMLL-UHFFFAOYSA-N 311.469 5.552 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cccc(C(F)(F)F)c1F 164697752 GRWGWGRKCGGMFV-AWEZNQCLSA-N 303.343 5.242 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)cc(Br)c1 232960607 FBFAEJJUCJGFOS-AWEZNQCLSA-N 318.686 5.463 30 10 DKEE N#Cc1ccc(N[C@H]2CCc3sc(Cl)cc32)c(Cl)c1 236085831 WSWHJYLKOKMHGT-NSHDSACASA-N 309.221 5.026 30 10 DKEE CC(C)[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698873412 JQGMNMBDOBIDED-WBVHZDCISA-N 322.493 5.131 30 10 DKEE C=CCOc1cn(C2CCCCCCCCCCC2)ccc1=O 1860778245 UGRPVZBAGCLENI-UHFFFAOYSA-N 317.473 5.259 30 10 DKEE CCCCCCCCC(=O)Cc1cc(Cl)cc(Cl)c1 1893175321 FTLSUHMUSACZST-UHFFFAOYSA-N 301.257 5.856 30 10 DKEE CCCCCCCC[C@]1(N)CC(C)(C)[C@@H]1OCc1ccccc1 1939545881 OWDJLSPSCOEBSJ-FPOVZHCZSA-N 317.517 5.450 30 10 DKEE O=C(C=Cc1ccccc1)c1cccc(OCc2ccccc2)c1 1940176156 VREMNDNHVVKEQT-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE CCCCCCCC[C@H](O)c1scc(C)c1Br 1950886365 MZELQUBIAWPAHY-LBPRGKRZSA-N 319.308 5.603 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCCC12CC2 1985665144 NXCNSHMQJYRMPT-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE C=CCCCCCN(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 1990822659 HXHKBDWZKKIFIJ-WOJBJXKFSA-N 315.501 5.049 30 10 DKEE C=C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CC1 2040409429 LWMAGMXSSQQKJR-PRHODGIISA-N 304.648 5.262 30 10 DKEE CSc1ccc(C(F)(F)F)c(C(F)F)c1C(F)(F)F 2060211975 KSNBMFOAFFSMMA-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE C#CC[C@@H](C)C[C@H](NCCC)c1scc(Cl)c1Cl 2076091504 JFDSJQBVLNVLFO-PWSUYJOCSA-N 304.286 5.145 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2099889433 BUUXPBJZSOVERH-GFCCVEGCSA-N 318.313 5.535 30 10 DKEE N#CC1(CNc2cc(Cl)c(F)c(Cl)c2)CCCCC1 2109989482 PQIFWCSEOGDUOD-UHFFFAOYSA-N 301.192 5.018 30 10 DKEE CC[C@@H](C)[C@@H]1CSC(=Nc2cc(Cl)c(C)cc2Cl)N1 2136526892 SHGZWFBLCPZPIR-OQPBUACISA-N 317.285 5.040 30 10 DKEE Cc1sc(Cl)cc1CNc1ccc(C(C)(C)C#N)cc1 2154422187 AZARVFNAXZEZSE-UHFFFAOYSA-N 304.846 5.123 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1c(Cl)cccc1Cl)NCCC 2158321751 WVVGXXZVWFVVIU-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2227359575 JLAZIKPOSMOUDQ-BLLLJJGKSA-N 324.306 5.319 30 10 DKEE C=C(C)CCCCC(=O)c1cccc(Cl)c1Br 2250143163 VOCFRWZZBTVREU-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE CCCCCC#CC[C@H](O)c1cc(Cl)c(OC)cc1Cl 2281534879 UXNMMIZWZPUABC-HNNXBMFYSA-N 315.240 5.009 30 10 DKEE C(=Cc1ccccc1)C=NN=C1c2ccccc2-c2ccccc21 2297158176 QTIALTXBSFBWBB-UHFFFAOYSA-N 308.384 5.204 30 10 DKEE CCCCOc1cccc(C=NNc2ccc(C)c(Cl)c2)c1 2322974695 RLFSIZAKYFVWFN-UHFFFAOYSA-N 316.832 5.273 30 10 DKEE Cc1ccc(CON=C(c2ccc(OC(C)C)cc2)C2CC2)cc1 2330330458 IHCXZYOKBOSILG-UHFFFAOYSA-N 323.436 5.113 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1ccc(Cl)c(Cl)c1C 2338677875 AGBOIHWIMQDXDT-INIZCTEOSA-N 301.257 5.630 30 10 DKEE N#Cc1ccc(NCCCC2=CCCCC2)c(Br)c1 2340966972 NSMKBNRXWQQSKT-UHFFFAOYSA-N 319.246 5.013 30 10 DKEE C=C(C)CCCC[C@H](O)CCc1cc(Cl)cc(Cl)c1 2341167447 LAMUTJQULFWTQO-INIZCTEOSA-N 301.257 5.423 30 10 DKEE C[C@]1(CSCCCCCCCCCS)CCCOC1 2344974931 RODXFYMEFFARQJ-INIZCTEOSA-N 304.565 5.197 30 10 DKEE C[C@@H]1CCC[C@@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2349905596 DKNUZSCGYQFLOX-BMIGLBTASA-N 303.204 5.070 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H]1CCSc2ccc(Cl)cc21 2362210602 KZOZBWTTWUAPFW-APHBMKBZSA-N 307.890 5.211 30 10 DKEE C#CCCCCCCN[C@@H](CC)c1ccc(Cl)cc1Cl 2364161679 XCBDKCSHSUNJSK-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CCCCCCC[C@@H](N)Cc1cc(Cl)c(OC)c(Cl)c1 2365690444 PPSFUNOTTGDDLQ-CYBMUJFWSA-N 318.288 5.232 30 10 DKEE C/C(=N/Nc1ccc(C)c(Cl)c1)c1ccc2ccccc2c1 34705598 MCKHDMQFUBZTRS-STZFKDTASA-N 308.812 5.638 30 10 DKEE CCCCCCCCCCCCCCCCN1C(=O)C=CC1=O 49694547 QKMBVFKXQWIKOZ-UHFFFAOYSA-N 321.505 5.393 30 10 DKEE N#CC[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 55022387 YFOKEXJMHZDUOJ-CQSZACIVSA-N 308.233 5.740 30 10 DKEE CCCCCCCOc1ccc(CNc2cccc(C)c2)cc1 100023966 SMPUUCXBTRFPSZ-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE CCCCCCCCCCCCCC(=O)c1ccc(C)c(C)c1 101473143 NSLNNERGGULFNO-UHFFFAOYSA-N 316.529 7.187 30 10 DKEE N#Cc1c(F)cccc1Oc1cc(Cl)c(Cl)cc1Cl 105736085 RCWUBROZFBFWQN-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE CCC#CC[C@H](C)c1ccc(OCC(C)C)c(OCC(C)C)c1 107492356 XJQQWTFDIUXPLJ-SFHVURJKSA-N 316.485 5.663 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)c1cscc1C 122029029 XXFONXJOYIDLIQ-LJQANCHMSA-N 309.563 6.628 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cc(C)ccc1N 146222881 ZJYHPKLYBSGVCC-UHFFFAOYSA-N 304.478 5.437 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc2[nH]ncc2c1 163066493 UKKBVALURUNRGT-UHFFFAOYSA-N 315.461 5.422 30 10 DKEE CCCCCCCOc1ccc(Br)cc1C(C)C 163351900 KSVJXCIYQCKTIC-UHFFFAOYSA-N 313.279 5.922 30 10 DKEE CC(C)CC(C#N)(CC(C)C)Nc1ccccc1Br 165900136 HWQZXABGLJAGPS-UHFFFAOYSA-N 323.278 5.216 30 10 DKEE CC(C)N[C@](C)(C#N)CCCCSCc1ccc(Cl)cc1 166192495 CYNHACDJVFUTQB-KRWDZBQOSA-N 324.921 5.024 30 10 DKEE Cc1ccc(Cl)cc1Oc1cccc(Br)c1C#N 168639259 GPYQZXUBSIUZLW-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cc2)C1 222236254 OJCPJZSQNWJVGW-IOASZLSFSA-N 307.890 5.787 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2Cl)C1 222247913 ZIOPNUPGIAUIAI-VBQJREDUSA-N 321.917 6.177 30 10 DKEE CCCCCCC[C@@H]1C[C@@H](NCC)c2cc(Cl)ccc2O1 229196196 LZZFSLSDTLMPBK-NVXWUHKLSA-N 309.881 5.502 30 10 DKEE CCCCCCCC[C@@H]1C(=O)Nc2c(Cl)cc(Cl)cc21 232936816 VRIWTXHAJHGOBO-LBPRGKRZSA-N 314.256 5.780 30 10 DKEE CC(=Nc1ccccc1)N(C(=O)c1ccccc1)c1ccccc1 254288469 JPHWLCJMHIFVNT-UHFFFAOYSA-N 314.388 5.084 30 10 DKEE C[C@H](O)c1ccc(C#N)cc1Sc1ccc(Cl)cc1Cl 322680441 PEQHNJSCAKBYKE-VIFPVBQESA-N 324.232 5.070 30 10 DKEE C=CCCC[C@H](C)n1c(S)nc2cc(Cl)c(Cl)cc21 398292050 ZJLLNRMLMFERAK-VIFPVBQESA-N 315.269 5.549 30 10 DKEE CCCCCCCCC[C@H](O)c1nscc1Br 404969097 YVHPOVAFYOALNQ-LBPRGKRZSA-N 320.296 5.080 30 10 DKEE CCCCCCCCC[S@@](=O)Cc1cccc2ccccc12 526856832 RISSSDABYDGNQC-JOCHJYFZSA-N 316.510 5.839 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](C)Sc2sccc21 692239598 LUCHJXIVRUTURS-XRGAULLZSA-N 307.528 5.398 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(NC(=O)OC(C)(C)C)c(C)c1 697608924 WMBZNBYZVYXGDY-CQSZACIVSA-N 304.434 5.109 30 10 DKEE CCC[C@](C#N)([C@@H]1CC1(C)C)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698421471 FJZWAZVSWODHHC-KHYOSLBOSA-N 322.493 5.131 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccsc1Br 698660531 GTHNRADFCHGCAT-CYBMUJFWSA-N 318.324 5.522 30 10 DKEE O=C1/C(=C/c2cccs2)[C@@H](c2ccccc2)c2ccccc21 1088701364 DIWNXQFVJGLQQR-BIRYMOPTSA-N 302.398 5.160 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)c1ccc(F)c(F)c1 1917855069 KVLVYICTJGGHFF-HXUWFJFHSA-N 303.418 5.121 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CC)CC(C)C 1922072754 XPVBZOBNASESKR-LEWJYISDSA-N 317.517 5.200 30 10 DKEE C=C(COCc1ccccc1)[C@H](O)CCCCCCCCC 1922113524 XIZRXKVKEJCUPA-HXUWFJFHSA-N 304.474 5.261 30 10 DKEE C=C([C@H](NCCC)c1c(Cl)cccc1Cl)[Si](C)(C)C 1922875042 OSFULJOXWXVLQU-HNNXBMFYSA-N 316.348 5.468 30 10 DKEE CCCCCCCCC[C@]1(O)CC[C@@H]1OCc1ccccc1 1934879071 VIUOMOJCLUYRPQ-PMACEKPBSA-N 304.474 5.237 30 10 DKEE C=CCCN(CC(=O)c1ccc(C(C)C)cc1)Cc1ccccc1 2013163737 CDWHHPOIGOJSOS-UHFFFAOYSA-N 321.464 5.071 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](CC)c1ccc(C)cc1C 2070171658 GUZOJKAHATYOFT-NRFANRHFSA-N 306.453 5.138 30 10 DKEE C=CCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1F 2098393064 QGEHVOXESUURSP-HNNXBMFYSA-N 304.236 5.443 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(C)c(Br)c1 2102112622 UEROKGQKKQPOCG-RHSMWYFYSA-N 324.306 5.401 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cnc(Cl)cc2Cl)CC1 2157121349 UWEKWLDBGJOKRD-INIZCTEOSA-N 311.256 5.431 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1ccc2sccc2c1 2184414959 IFHFLRZGCKNNNG-UHFFFAOYSA-N 303.745 5.358 30 10 DKEE CCCCCCCN(C)CC(=O)c1ccc(Cl)cc1Cl 2196692028 GZUGWKOXUXMCHJ-UHFFFAOYSA-N 316.272 5.078 30 10 DKEE C#C[C@@H](N[C@H](C)c1cc(Cl)ccc1Cl)C1CCCCC1 2203799525 ZLXQDNBPZLXBFK-SJKOYZFVSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCNC1(CCOCc2ccccc2)CC1 2211147635 WFKYUWIZLKYCHL-UHFFFAOYSA-N 315.501 5.242 30 10 DKEE Cc1cc(Cl)cc(Oc2ccc(C#N)c(Br)c2)c1 2223402141 CCEALBVPBSKFTB-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCCCCN(C)CCC(F)(F)C(F)(F)F 2235536824 YLFKIZSQCYLYMM-UHFFFAOYSA-N 301.343 5.033 30 10 DKEE COC1(CSCCCCCCCCCS)CCCCC1 2280266166 JTIJGGIQBGQMSP-UHFFFAOYSA-N 318.592 5.729 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1C 2286473460 GNXHPBILJZXKPA-QGZVFWFLSA-N 314.300 6.218 30 10 DKEE C=CCCCCCCCSc1ccc([C@@H](C)O)c(Cl)c1 2287182203 NFVZATYQPQXVOP-CQSZACIVSA-N 312.906 6.012 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(-c2cccs2)cs1 2287382150 FNRBJOGXJONCRI-HNNXBMFYSA-N 305.512 5.874 30 10 DKEE CCCCCCCCCC[C@@H](CCCSC)OCCN 2294563655 VWBJUSCXOMGJHN-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1sc(Br)c(C)c1C 2304055239 JFTGNYQSOUVHJB-OCCSQVGLSA-N 316.308 5.120 30 10 DKEE CC(C)CC(CC(C)C)Oc1c(Br)cccc1C#N 2335228093 MFZIFXITAIOTLU-UHFFFAOYSA-N 324.262 5.160 30 10 DKEE C=CCCC[C@@H](CCCc1cc(Cl)cc(Cl)c1)NC 2341152350 MYYCEOISKOZDPM-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2344378430 GFKBYRQUGAKGIU-MEBBXXQBSA-N 320.691 5.900 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1cc(F)c(Cl)cc1Cl 2349888972 QUGXDGHKCUEIMF-HNNXBMFYSA-N 302.220 5.161 30 10 DKEE CCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Cl)c(Cl)cc1C 2365088331 VGVRROWGFCZNJZ-BLLLJJGKSA-N 310.268 5.002 30 10 DKEE COc1cccc2sc(/N=C/c3ccc4ccccc4c3)nc12 48524510 FCKJYLWIUVYURU-UDWIEESQSA-N 318.401 5.209 30 10 DKEE Cc1ccc(O)c(/N=C/c2ccccc2OCc2ccccc2)c1 59513883 XXHQDCYZULZUPD-HYARGMPZSA-N 317.388 5.030 30 10 DKEE C=CCc1cc(C(C)(C)CC)cc(C=O)c1OCCC(C)C 66117874 YNNUVZGZNBRTKA-UHFFFAOYSA-N 302.458 5.340 30 10 DKEE O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1 90624132 IWKFCBADEWBWGL-SSZFMOIBSA-N 314.384 5.162 30 10 DKEE CCCCCCCCNc1ccccc1SC(F)(F)F 109780151 XVSCNUQJGKDCJV-UHFFFAOYSA-N 305.409 6.071 30 10 DKEE CCCCCCCCC[C@H](O)Cc1cc(F)ccc1Cl 126987463 QPPSONRFQSEHJY-INIZCTEOSA-N 300.845 5.523 30 10 DKEE CCCCCCCCC[C@H](N)c1cc2cccc(Cl)c2o1 130738380 HSVIQOQRQZPDMV-INIZCTEOSA-N 307.865 6.227 30 10 DKEE CCCCCCCCC(=O)c1ccc(F)cc1Br 164749990 JDGQXVZUWIRJQW-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE CCCCCCCCC[C@H](O)Cc1csc2ccccc12 167837585 FEOQSOMUHWJIFS-KRWDZBQOSA-N 304.499 5.945 30 10 DKEE CCCCCCC[C@H](O)c1cc(Br)c(C)s1 227753628 JVHORSAFBJDUPJ-LBPRGKRZSA-N 305.281 5.213 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1SCCS[C@@H]1C 228111346 CNBFTMQJNIEETM-OWCLPIDISA-N 303.581 5.082 30 10 DKEE O=C(C1=CCCCCCC1)c1c(F)cccc1Br 236165037 ZBKYGMMCEJPJIU-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE Cc1cnc2c(c1)C(=Nc1cccc3ccccc13)c1ccccc1-2 252635009 WTDZHRKHZOXZGY-UHFFFAOYSA-N 320.395 5.693 30 10 DKEE Cc1ccc2c(c1)C(=Nc1cccc3ccccc13)c1ccccc1-2 254606548 AJIFAQWTBKXJHD-UHFFFAOYSA-N 319.407 6.298 30 10 DKEE CC(C)(C#N)CCCCNc1cccc(OCc2ccccc2)c1 310095749 LLSSWHUTCGCHJV-UHFFFAOYSA-N 322.452 5.398 30 10 DKEE C[C@@H]1CCCC[C@@]1(C#N)[C@H](C)c1ccc(Br)cc1 384851670 LBGHTROMAGGPMX-IOASZLSFSA-N 306.247 5.273 30 10 DKEE CCCCCCCCNc1cccc(Br)c1F 689258652 CFVSQJOGNWBZIW-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE CCC[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468664 KDOCCOOLNQYZPG-WBVHZDCISA-N 316.445 5.065 30 10 DKEE O=C(c1ccccc1)c1ccc(N=Cc2ccccc2Cl)cc1 1084337963 CSBDMFCWYBTDGV-UHFFFAOYSA-N 319.791 5.322 30 10 DKEE C=C(C)CC[C@H](NCC)c1c(Br)sc(C)c1C 1951108145 OLFPUOPTWLCWKN-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(Br)c(Cl)s2)CC1 1985231210 ICVULKNERVCTQB-SSDOTTSWSA-N 319.651 5.093 30 10 DKEE C=CCCCCCC[C@H](O)c1ccsc1Br 1995207470 WNOBXFSFKOAJMA-LBPRGKRZSA-N 303.265 5.071 30 10 DKEE C=CC[C@H](C)C[C@H](NCCC)c1ccccc1Br 2050513203 MXWQFCSLWXTCKP-BBRMVZONSA-N 310.279 5.092 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1cc(C)cc(C)c1 2070123654 OFIPEKLOBIOSNG-KRWDZBQOSA-N 306.453 5.138 30 10 DKEE C=CCCCCCC[C@@H](O)c1c(C)cccc1Br 2085852953 XQVPAFBNYMUGCT-OAHLLOKOSA-N 311.263 5.318 30 10 DKEE C=C([C@H](N)c1ccc(-c2cccc(Cl)c2)s1)[Si](C)(C)C 2164002880 ISPYTNPOCRSDAQ-INIZCTEOSA-N 321.949 5.502 30 10 DKEE CCCCCCCCCC[C@@H](O)c1nccc(Cl)c1F 2164486329 FPRQYKTVHWIXPJ-CQSZACIVSA-N 301.833 5.438 30 10 DKEE C#CC[C@H](CN[C@H](CC)c1ccc(Cl)c(Cl)c1)C1CC1 2196811965 RCFLAIOVUVUVPJ-RHSMWYFYSA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1scnc1Cl 2207408111 GYZQPFJOABSGBU-CQSZACIVSA-N 314.926 5.754 30 10 DKEE C=C(C)CN(CCCCCCN[C@H](C)CC)Cc1ccccc1 2212264682 CILSPYJZMHQSQC-HXUWFJFHSA-N 316.533 5.013 30 10 DKEE CCCCCCCCCCCCOCC1(Br)CC1 2223235869 WOHLGFBOVIUHQR-UHFFFAOYSA-N 319.327 5.851 30 10 DKEE CC1(C)CC[C@H]([C@@H](C#N)c2ccc(Br)c(F)c2)C1 2259029034 ASBAGRLBYDMFFO-RYUDHWBXSA-N 310.210 5.022 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(C)c(Br)c1C 2259234838 HMKWTWAMIDHPBR-OAHLLOKOSA-N 310.279 5.202 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2266799452 IQEKZWOMOTYHPT-ZDUSSCGKSA-N 322.663 5.185 30 10 DKEE CCCC(CS)(CCC)COCC1CC2(CC(F)C2)C1 2288557030 POALLLKHGLBDTE-UHFFFAOYSA-N 302.499 5.048 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1sc(C(F)(F)F)cc1C 2295011134 KIUZWQVINBUNKN-GFCCVEGCSA-N 305.409 5.472 30 10 DKEE CCOc1ccc(C(=O)C=Cc2ccc(Cl)cc2)c(C)c1C 2295968055 YATCTQPULDQYBB-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(Br)s1 2304060273 VZLWHENGMBYXJY-KBPBESRZSA-N 316.308 5.154 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)C=Cc1ccc(C)o1 2311450522 POILDDMQPBOYGQ-UHFFFAOYSA-N 309.409 5.092 30 10 DKEE C=C1CC(COc2ccc(Br)cc2C(C)(C)C)C1 2318556193 WIXVLVAHLNERRH-UHFFFAOYSA-N 309.247 5.092 30 10 DKEE C=C(Br)CO[C@@H](CC)c1ccc(C(F)(F)F)cc1 2320620126 DBXYSRDHBXYNEK-LBPRGKRZSA-N 323.152 5.082 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1ccccc1Cl 2322436682 XVSVIXWAWNQJBE-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE O=C(C=Cc1ccc(O)c(Cl)c1)c1cccc2ccccc12 2325793580 WBMPGNMACYFKCN-UHFFFAOYSA-N 308.764 5.095 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339150404 OTKCRJCDUGOCEU-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE C#CCCCCCCN[C@@H](C)c1ccc(C(F)(F)F)s1 2364156671 LCMMMAJLTRXJIT-LBPRGKRZSA-N 303.393 5.001 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1c(Cl)ccc(F)c1F 2370481150 BKJXUAAHQUQDLD-JKSUJKDBSA-N 301.808 5.261 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(Cl)c1C(F)(F)F 2370518554 LSWRCWHFCVINPX-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CCC1CCC(C#N)(Cc2cc(F)c(Cl)cc2Cl)CC1 2377277804 JLOVDVOUDZMSNE-UHFFFAOYSA-N 314.231 5.785 30 10 DKEE C(=N/c1cccc(-c2nc3ccccc3[nH]2)c1)\c1cccs1 6598548 VNFYKDRKUDGYBP-XDHOZWIPSA-N 303.390 5.042 30 10 DKEE N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 19887298 NEAKMVZDHXILFH-JFIYKMOQSA-N 306.796 5.038 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)s1 50039348 XQWQIDUCOCHANK-LLVKDONJSA-N 324.232 5.107 30 10 DKEE CCCCCCOc1ccc(C(=O)/C=C/c2cccs2)cc1 83204841 WIHJORPETYMCDT-OUKQBFOZSA-N 314.450 5.603 30 10 DKEE FC1=C(F)C(=C2C(F)=C(F)C(F)(F)C(F)=C2F)C=CC1 100476230 WVXIXEVLPVSJGZ-UHFFFAOYSA-N 300.148 5.344 30 10 DKEE CCCCCCCCCC[C@H](CSCC(C)C)NCCC 115645468 NTQZXONRIGBRQI-LJQANCHMSA-N 315.611 6.275 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1cc(F)ccc1Cl 127629035 YGFNFBHVGJJBAM-GOSISDBHSA-N 313.888 6.400 30 10 DKEE CCSc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)s2)cc1 134879276 JABVVIPQCQDAHV-QWHCGFSZSA-N 316.495 5.144 30 10 DKEE CCCCCCCCC[C@H](NC)c1cccc(Cl)c1Cl 157914092 CQOOMAYBBKJGRO-INIZCTEOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCN[C@H](C)c1cc(F)c(Cl)cc1Cl 159183379 PICXKEXTQUZMCB-GFCCVEGCSA-N 320.279 6.144 30 10 DKEE CC(C)c1ccccc1Nc1ccc(C#N)cc1Br 213334140 QLPVNWIHPRYDNM-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227037733 SKSQOUXTPRONSY-RPVQJOFSSA-N 305.487 5.189 30 10 DKEE Oc1ccc(Cl)cc1C=Nc1ccc2c3c(cccc13)CC2 254569900 XNNGDKJXBYDDDO-UHFFFAOYSA-N 307.780 5.048 30 10 DKEE aggregator N#C[C@@H]1CCCCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 306553359 BFAGPDSYSXGBQW-VXKWHMMOSA-N 318.464 5.161 30 10 DKEE CCCC1CCC(C=O)(Cc2c(Cl)cccc2Cl)CC1 316785758 GXODUZPOOGRBJI-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CS1 504528923 JFDOJKGTOKPEKW-JBKQDOAHSA-N 316.510 5.004 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(F)c(Cl)c1F 689665293 DGJHMMMMZAFUTL-CQSZACIVSA-N 303.824 5.629 30 10 DKEE C=CC(C)(C)CCN[C@@H](Cc1cccs1)c1cccs1 706439161 NUUDLRSPQZLFFG-HNNXBMFYSA-N 305.512 5.285 30 10 DKEE CCCCCCCCNC(=O)c1csc(C2CCCCC2)n1 1859664605 LJWAXKICUUUPQZ-UHFFFAOYSA-N 322.518 5.281 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1C 1866090149 ILBVHNSFCQGLPF-UHFFFAOYSA-N 318.505 5.530 30 10 DKEE CCCCCCCCC[C@@]1(N)C[C@@H](C)Sc2sccc21 1920209648 QKBYVAHCMYZLPL-RHSMWYFYSA-N 311.560 5.927 30 10 DKEE CCCCCCCN[C@H]1CCCC[C@@H]1OCc1ccccc1 1959246710 AZGSIXCNXYOZNO-PMACEKPBSA-N 303.490 5.074 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1ccc(OCc2ccccc2)cc1 1975926396 LEARDYGUEXHFMM-UWJYYQICSA-N 309.453 5.128 30 10 DKEE CCCCCCCN[C@H](C)c1cscc1Br 1987150024 DKBKHHHDZXJHIS-LLVKDONJSA-N 304.297 5.132 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 1996709704 MBEVCOZPGZEMCM-IFMALSPDSA-N 321.464 5.273 30 10 DKEE O[C@H](CC#CC1CCCCC1)c1scc(Cl)c1Cl 2035096131 GNRKNTWMTFXYBR-GFCCVEGCSA-N 303.254 5.062 30 10 DKEE Cc1cc(CSc2cc(Cl)ccc2Cl)ccc1C#N 2097181759 IVFZJVOAIDHIBR-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc(Cl)ccc1Cl 2147064510 SBMHSPAVEYOJHR-INIZCTEOSA-N 317.256 5.347 30 10 DKEE Clc1cc(Cl)c2ccn(CC#CC3CCCCC3)c2c1 2149872980 ZRRDIVWPKSYHPJ-UHFFFAOYSA-N 306.236 5.532 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)c(C)cc1Cl 2201365814 YLOOPBXZCIXDRG-QGZVFWFLSA-N 316.316 6.442 30 10 DKEE C=CCCCCCCCC[C@H](O)c1ncc(Cl)cc1Cl 2207433979 DKCBXWXLLJCIRU-HNNXBMFYSA-N 316.272 5.729 30 10 DKEE C=C(I)CSCCCCCCC1CC1 2210030626 UGPZUBHZPPKYEG-UHFFFAOYSA-N 324.271 5.029 30 10 DKEE C=C(C)CCCCCc1ccc(Cl)c(Br)c1 2244634089 KROGPKXRGVXLAT-UHFFFAOYSA-N 301.655 5.782 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)c(Cl)cc1C)C(C)(C)C 2286472942 JPYDMUQGZKPTHF-INIZCTEOSA-N 314.300 5.945 30 10 DKEE C=CCCCCCCCSc1sc(CNC)c(C)c1C 2287062079 BLQOFECVFUTPAQ-UHFFFAOYSA-N 311.560 5.703 30 10 DKEE C=CCCSc1ccc([C@@H](C)NCC)c(C(F)(F)F)c1 2287066160 VHROIIZTGADTKM-LLVKDONJSA-N 303.393 5.044 30 10 DKEE CCCCCCCC[C@](C)(OCCN)c1sccc1Cl 2292790257 BVDTUDKLPOBDEJ-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@@H](C)NC)c(C)c1C 2302224300 DLBMCRHJNOIDIK-LJQANCHMSA-N 322.496 5.167 30 10 DKEE CCCCCCC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2349892257 ZENWUBFLLQDSFV-HNNXBMFYSA-N 306.252 5.754 30 10 DKEE FC(F)(F)C(F)(F)CCCCOCCCCCCCS 2362741609 ITILTPUKAHCYGF-UHFFFAOYSA-N 322.383 5.251 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(Cl)c(Cl)c1C 2364221096 WDBZSFVUCFXGMF-CYBMUJFWSA-N 314.300 5.425 30 10 DKEE CCCCCCCCOc1ccc(OC(=O)c2ccco2)cc1 2027808 MKXODZBRSZHSQT-UHFFFAOYSA-N 316.397 5.238 30 10 DKEE C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCc1ccoc1 5567932 ZQHJXKYYELWEOK-ONCXSQPRSA-N 316.441 5.076 30 10 DKEE CCOc1cc(C)c(Cl)cc1C(=O)/C=C/c1cccs1 83193218 HRIORFLMUBBZIB-VOTSOKGWSA-N 306.814 5.005 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2ccc(C)c(C(C)(C)C)c2)c1 83193434 PJTSGROABGIWKS-ACCUITESSA-N 322.448 5.587 30 10 DKEE CCCCCCCCCCCCCCCCNCC(C)(C)C 100023367 GWKBBJXNLQZLGO-UHFFFAOYSA-N 311.598 7.103 30 10 DKEE CCc1ccc(C(=O)/C=C\Nc2ccccc2C(F)(F)F)cc1 101403065 HEOPBWPYKAIDKT-QXMHVHEDSA-N 319.326 5.076 30 10 DKEE CCCCCCCNC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)C1 104661934 WIQSQELOZQXJSL-INIZCTEOSA-N 319.876 5.230 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccc(F)cc1Cl 109744509 DHROXKHBOZAAJL-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1ccc(Cl)cc1 112889169 SOVBJRMFNZULSQ-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCCCCCn1c(S)nc2cccc(C)c21 157283174 KQUJVPRJOTXLFV-UHFFFAOYSA-N 304.503 5.774 30 10 DKEE Cc1cc(Sc2cc(Cl)ccc2Cl)c(C#N)c(C)n1 157564574 BEYSKNFMBOPTSS-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE CCCCCCC[C@@H](NC)c1c(F)c(F)c(F)c(F)c1F 157990455 VXQDBXQGGBYVOG-SECBINFHSA-N 309.322 5.003 30 10 DKEE Cc1cc(Nc2cccc(Cl)c2Br)ccc1C#N 235885571 KKWVBJCKGFKEMX-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C[C@@H](Nc1cccc(CC#N)c1)c1c(Cl)cccc1Cl 400866792 PYOBQJWKVGVKHF-LLVKDONJSA-N 305.208 5.233 30 10 DKEE CC[C@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)C(C)C 720357029 JCJVSBWPSRQRKY-LJQANCHMSA-N 322.493 5.275 30 10 DKEE Fc1c(SC(F)(F)F)cc(C(F)(F)F)c2sccc12 725304957 GKYWREXXLMSWLE-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE C=C(C)CN(CCSc1cc(Cl)ccc1Cl)C(C)C 1884132927 SVVWJQNQTHPEKV-UHFFFAOYSA-N 318.313 5.372 30 10 DKEE CCN(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCCC1 1932867299 FMFFWTVZVSLPKG-UHFFFAOYSA-N 308.466 5.030 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)C1CCCC1 1995320088 QWEZVYIJZNOVLY-UHFFFAOYSA-N 313.529 6.348 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1sc(Br)cc1C 2000384369 HNDOPJAUUZEQTH-GXFFZTMASA-N 316.308 5.072 30 10 DKEE CCCCCCCCC[C@@H](O)c1cnccc1Br 2057544518 VMZIRUVRISAXLK-OAHLLOKOSA-N 314.267 5.018 30 10 DKEE CCc1c(C(F)(F)F)ccc(OC(F)(F)F)c1C(F)F 2060359725 SVNYFLFYAXANQD-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=C([C@H](CSc1cccc(Cl)c1)NCCC)C(C)(C)C 2152941007 FSNRIGVZFYCTTL-INIZCTEOSA-N 311.922 5.403 30 10 DKEE CCCC(CS)(CCC)CN(C)C[C@H](CC)C(C)(F)F 2171927513 IXYHETDIPWPTMD-AWEZNQCLSA-N 309.510 5.116 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1cc(Cl)ccc1Cl)C1CC1 2196838238 XLLPQEXKEHBDPU-DYVFJYSZSA-N 310.268 5.084 30 10 DKEE CCCCCCCC[C@](C)(O)c1occc1Br 2217293172 QLKYAHLWEDZXNA-AWEZNQCLSA-N 303.240 5.000 30 10 DKEE C=CC1(C[C@H](Cc2cc(Cl)ccc2Cl)NCC)CCC1 2234035575 LFGBRIPUJXJACR-HNNXBMFYSA-N 312.284 5.260 30 10 DKEE FC1(F)CCCC[C@@H]1CSC[C@H](CS)c1ccccc1 2283149192 VEKKIBAJISHSMF-LSDHHAIUSA-N 316.482 5.259 30 10 DKEE CCCCCCCCCCOc1cc(Cl)sc1C(=O)O 2288318480 BUGFDHLIIBYDQX-UHFFFAOYSA-N 318.866 5.619 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Cl)cc1Br 2304119718 MNPQLWWHDHYKEG-UONOGXRCSA-N 317.654 5.128 30 10 DKEE Clc1ccccc1C=CC=NNc1nc2ccccc2s1 2313533069 URJFFDOXXDZWRF-UHFFFAOYSA-N 313.813 5.061 30 10 DKEE C=CCC(C)(C)[C@H](N)c1cc(Br)cc(C(C)C)c1 2321141160 MSEFOOUSMLKCGK-OAHLLOKOSA-N 310.279 5.175 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)CCc1cc(Cl)cc(Cl)c1 2344469091 RVCCDWQRRAZRNF-CVEARBPZSA-N 301.257 5.279 30 10 DKEE Cc1cccc(C#N)c1NCc1ccc(Cl)c(Cl)c1C 2364503762 ONSONJALWKAHHC-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2370483410 TYKOCGFVANTHSL-CVEARBPZSA-N 318.263 5.776 30 10 DKEE CCCCCCCCOP(C)(=O)OCCCCCCCC 111330017 QNNWHJRQILFWHD-UHFFFAOYSA-N 320.454 6.564 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cccc(F)c1Cl 122666156 AWLBBQNKVVZBDG-MRXNPFEDSA-N 314.876 5.514 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C)ccc2C)c1 243896347 RRQKGFXDZSNJNE-UHFFFAOYSA-N 322.452 5.393 30 10 DKEE Cc1ccc(N=C/C=C2/N(C)c3ccccc3C2(C)C)c(Cl)c1 252512232 OHTQFOLRCAQXLU-GHSBSWBUSA-N 324.855 5.662 30 10 DKEE CCCCCCCCCCC(=NO)C(=NO)c1ccccc1 254695993 CXNBLLXKQKZPPV-UHFFFAOYSA-N 304.434 5.226 30 10 DKEE CC(C)c1ccc(SCCCB2OC(C)(C)C(C)(C)O2)cc1 310003020 RXZWFDBKCPWQCO-UHFFFAOYSA-N 320.307 5.384 30 10 DKEE C[C@H](c1ccc(Br)cc1)C1(C#N)CCCCCC1 385560925 UKNQUQMZZUMYMD-CYBMUJFWSA-N 306.247 5.417 30 10 DKEE CC1(C)CCC[C@@H](Nc2cccc(Br)c2C#N)CC1 697639530 VLSBFFKGRJNTKE-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698466521 VZJYJLRKKPPYFQ-INIZCTEOSA-N 308.466 5.029 30 10 DKEE C=CCSc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1860799699 VYTMGBSAAONRKC-UHFFFAOYSA-N 309.459 5.755 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)C2CCCCC2)C1 1946852032 RPIZNZMWORUOII-KAGYGMCKSA-N 324.512 5.540 30 10 DKEE C=CCCCCCCN[C@@H](C)c1cscc1Br 2013602631 UEPALLGNEHVMAV-LBPRGKRZSA-N 316.308 5.298 30 10 DKEE C=C(C)[C@@H]1CC[C@](C)(/C=C/C(C)=O)[C@@H]1CC[C@@H](CCC)C(=O)O 2069590134 GVPWFKHKFWXZLJ-GTNXVJTNSA-N 320.473 5.021 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2076093136 UTEGVVKUKLVOSX-ZYHUDNBSSA-N 304.286 5.145 30 10 DKEE CC(C)C(C(C)C)[C@](C)(C#N)Nc1cccc(Br)c1 2087312840 MAKFNOWAMULEQQ-INIZCTEOSA-N 323.278 5.071 30 10 DKEE CCCCCCCCC[C@@H](O)C(=O)c1ccc(Cl)s1 2090888142 XNUOXGWQTYXXKG-GFCCVEGCSA-N 302.867 5.086 30 10 DKEE CCC1(C)CCC(C#N)(Nc2cccc(Br)c2)CC1 2114874996 RHYSODJTYXEXDK-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1c(Cl)ccc(Cl)c1F 2139416532 UWZYEOJKWSVAHV-GWCFXTLKSA-N 304.236 5.385 30 10 DKEE N#Cc1ccc(Cl)cc1NC1CC[Si]2(CCCC2)CC1 2161348320 VJBXWIQABBPNDC-UHFFFAOYSA-N 304.897 5.029 30 10 DKEE C=C1C[C@H]1C[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164165180 IMBHZGKJPNSYPV-WFASDCNBSA-N 303.858 5.295 30 10 DKEE C=CC1(CN[C@H](c2ccco2)c2ccc(Cl)s2)CCC1 2168008046 RTZWBVKPMPKUKJ-OAHLLOKOSA-N 307.846 5.030 30 10 DKEE CCCCCC#CC[C@@H](N)c1cc(-c2cccs2)cs1 2203836494 ZUBUUEVQUDTLCE-OAHLLOKOSA-N 303.496 5.450 30 10 DKEE CCCCCCC[C@H](O)C(=O)c1c(Cl)ccc(Cl)c1F 2204417078 NORAXWVHWWSWMN-LBPRGKRZSA-N 321.219 5.037 30 10 DKEE CCCCCCCC[C@@H](C)NC[C@H](C)N(C)Cc1ccccc1 2212662704 URGYNKXDJDJCJB-UXHICEINSA-N 318.549 5.236 30 10 DKEE SCC1(CSCCCCCC2CC2)CCCCCC1 2227198087 SCFSRFBSEOAOPW-UHFFFAOYSA-N 300.577 5.960 30 10 DKEE Cc1ccc(N[C@H](C)c2cc(Cl)cc(Cl)c2)cc1C#N 2238002221 YVAIHBQUPJUCIA-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=C(C)CCCCCc1ccc(Cl)c(Br)c1F 2250192435 YDRMNXFWRDKWPC-UHFFFAOYSA-N 319.645 5.921 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(C)cc(Br)c1F 2259169310 BGXQTKYTSPTYIO-CQSZACIVSA-N 314.242 5.033 30 10 DKEE CCCCCCCC[C@@H](NC)c1csc(Cl)c1OC 2268939696 UQKWSNSXYAAZFW-CYBMUJFWSA-N 303.899 5.421 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1csc(Cl)c1OC 2284270502 AFMATKMUFFCQHN-CQSZACIVSA-N 313.894 5.035 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2287464696 BSEZGSWIQLFHLY-QGZVFWFLSA-N 314.300 6.089 30 10 DKEE C=CCCCCCCCOc1c(Cl)cc(C=O)cc1Cl 2296308448 IXNKEWHQBUQIHI-UHFFFAOYSA-N 315.240 5.711 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@H](C)NC)c(C)c1C 2302340028 FQZZWQZCUQWBGL-IBGZPJMESA-N 322.496 5.167 30 10 DKEE CCCCCCCCNc1ccc(C)c(C)c1Br 2315018573 FBBYYMUMWFAJCS-UHFFFAOYSA-N 312.295 5.838 30 10 DKEE CC(=NOCc1ccc(Cl)cc1F)c1cccc(Cl)c1 2318633822 QARVNKLZLNEXID-UHFFFAOYSA-N 312.171 5.073 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(C)c(Br)c1 2321116069 IDVFCXNXPQNWPB-CVEARBPZSA-N 310.279 5.010 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cc(Cl)cc(Cl)c1Cl 2321225480 QBFCAKOMJCPUMJ-ZIAGYGMSSA-N 307.648 5.673 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C)c(Br)cc1C 2344339880 MSCPWFZMMQJXBL-IAGOWNOFSA-N 324.306 5.319 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1cc(Cl)cc(Cl)c1F 2362216689 AZJYILNARXXOEK-ZIBATOQPSA-N 316.247 5.528 30 10 DKEE C=CC[C@H]1CCC[C@@H]1NCc1ccc(-c2cccs2)s1 2362234559 DOKQSFDPVRCYTQ-ZFWWWQNUSA-N 303.496 5.311 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364415033 NTOCRIQQYKRCPU-YVEFUNNKSA-N 314.300 5.945 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2365802753 GTCVSNBRVNTLEO-ZDUSSCGKSA-N 315.910 5.587 30 10 DKEE COc1cc(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)sc1Cl 2365824103 OFRGDEZYHZHFCS-LLVKDONJSA-N 312.862 5.365 30 10 DKEE C=CCC[C@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2366839180 YQAHZCDCRMIINX-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(-c2cccs2)s1 2370492009 RSVSLQLBVIMTTO-DLBZAZTESA-N 305.512 5.730 30 10 DKEE CSc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1 37306352 ZAPYFGNBGSQLHX-UHFFFAOYSA-N 308.328 5.043 30 10 DKEE N#C[C@@H](CCOc1cccc2ccccc12)c1ccccc1F 57686393 GLSCDGAVQVUEMJ-MRXNPFEDSA-N 305.352 5.055 30 10 DKEE CCCOc1ccc(Cl)cc1C(=O)/C=C/c1cccs1 83205084 ROWPXCQTWAPBPJ-VOTSOKGWSA-N 306.814 5.086 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(OCC(C)C)cc1 100048486 LNJRXXGFEFFHEU-NRFANRHFSA-N 319.533 6.123 30 10 DKEE CCCCCCCOc1cccc(NC(=O)C2CCCC2)c1 100455518 FRZBWJUIOZSWRY-UHFFFAOYSA-N 303.446 5.165 30 10 DKEE C/C(=C/C(=O)c1ccc(Cl)cc1)Nc1cc(C)ccc1Cl 104270990 GUAJJBLORICASA-BENRWUELSA-N 320.219 5.500 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2cccs2)C(C)C)C1 110264251 SUGACOSGUKFIRI-JFIYKMOQSA-N 304.503 5.067 30 10 DKEE CCCCCCCCCCCC[C@@H](CSCC)NCC 115644326 YQBGDWADSOBCSA-SFHVURJKSA-N 301.584 6.029 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(OC(F)F)cc1 115651210 ONKSYZLPCRRPDC-INIZCTEOSA-N 300.389 5.462 30 10 DKEE CCCCCCCCCC[C@]1(O)CCC[C@H](C(F)(F)F)C1 115654541 VVLNNSSZBUGUEV-HOTGVXAUSA-N 308.428 6.001 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1cc(C#N)cc(Cl)n1 122567962 ILLSZNGGXXIULT-UHFFFAOYSA-N 321.207 5.484 30 10 DKEE CCCCCCCCCCCCNCc1sccc1CC 122590326 MSVRUVWGGLTAIO-UHFFFAOYSA-N 309.563 6.321 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc2ccccc2s1 158204185 XFMSGWLNDYGWRP-KRWDZBQOSA-N 303.515 6.303 30 10 DKEE CCCCCCCCCSc1ccc(O)c2ccccc12 163418818 ASXDVAMTHHUYAA-UHFFFAOYSA-N 302.483 6.388 30 10 DKEE O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CC[C@@H]2CCCC[C@@H]12 229743647 BXTGKOZOKNKUSL-FRSMIGLYSA-N 308.343 5.258 30 10 DKEE CCCCCCCCCCCCN[C@@H]1CCCCCCC1=NO 254625077 VLGFNYQBKXJPGA-LJQANCHMSA-N 324.553 6.050 30 10 DKEE CCCCCCCNc1cccc(-c2nc3ccccc3s2)c1 257635416 LKZYUDLKJFCPNC-UHFFFAOYSA-N 324.493 6.346 30 10 DKEE CCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698482733 FYJIUMGWIYNREA-CRAIPNDOSA-N 310.482 5.275 30 10 DKEE CCC[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698875876 RYBIDBOHIMBVHC-NVXWUHKLSA-N 322.493 5.275 30 10 DKEE CC(C)(C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698878648 ZUTMVFSMYFOAOH-INIZCTEOSA-N 322.493 5.275 30 10 DKEE C=C1CCC(CC(=O)c2cc(C)c(Br)s2)CC1 724609744 ZIHARNPAVTYKNB-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE CC1=C(C)C(c2ccccc2)=C(C)[C@@](C)(c2ccccc2)C1=O 1088706797 VUFWTJZCSORCAC-QFIPXVFZSA-N 302.417 5.337 30 10 DKEE N#Cc1cc(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1 1848368142 PNHNZQGRZXWZJB-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE Cc1ccc(CCC(=O)ON=C2CCC(C(C)(C)C)CC2)cc1 1860466677 GGTXKBWYKNRFHW-UHFFFAOYSA-N 315.457 5.063 30 10 DKEE C=CCC[C@@H](O)c1ccc(-c2ccccc2Br)s1 1919696524 AMRQWNAWIGMFJP-CYBMUJFWSA-N 323.255 5.177 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](CC)c1ccc(Br)cc1 2035363558 KVMGCPSIACSEDO-CZUORRHYSA-N 310.279 5.235 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cccc(Br)c1 2040530485 RCDXYGOHEULISO-CZUORRHYSA-N 310.279 5.092 30 10 DKEE C=C(C)CC(=O)c1ccc(-c2cccc(Br)c2)s1 2045674109 SNMNAFVGUJHAPD-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1Br 2048238688 UNFCMNFLLSCBQI-SECBINFHSA-N 322.168 5.235 30 10 DKEE CCc1cc(OC(F)(F)F)c(C(F)(F)F)c(C(F)F)c1 2060359182 APMYMJDTPZJGSF-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CC(C)(C)C#CC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2075713973 AVVZYIRNFOLAQF-NSHDSACASA-N 305.632 5.120 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(C)cc1Br 2141914429 RGGIGHDJBZPNJR-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H](O)c1csc(Cl)c1 2154436254 XMQBXZLCCPKLQJ-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE C[C@@H](C[C@@H](C)N(C)CCCCCCCCCS)C(F)F 2177892469 HUAXGJWGTPHVLU-LSDHHAIUSA-N 309.510 5.259 30 10 DKEE C=CC1(CNC(c2cccs2)c2cccs2)CCCC1 2189514154 DXYUXLVUWYSTLI-UHFFFAOYSA-N 303.496 5.235 30 10 DKEE C=C[C@H](N[C@@H](Cc1cccs1)c1cccs1)C1CCC1 2197829243 IKCPUMOFBNJMCV-HOTGVXAUSA-N 303.496 5.038 30 10 DKEE CN[C@H](CC#CC(C)(C)C)c1ccc(-c2cccs2)s1 2205871733 KRIUUSREVDCYAF-CYBMUJFWSA-N 303.496 5.177 30 10 DKEE C=CCCCCCCCC[C@H](O)[C@H]1SCCS[C@H]1CC 2207405007 QLGMQHQSZMEADO-YESZJQIVSA-N 316.576 5.281 30 10 DKEE C=C(C)C[C@@H](NCCC)c1sc(C)c(Br)c1C 2213744142 IKPXLAXGNSYXSU-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(Br)cc1C 2221725933 YVXHDYRFHYIVRG-INIZCTEOSA-N 313.279 5.326 30 10 DKEE C=C(C)CC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2227509791 UIVNQTAVMWORRW-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE CCCCCCCCCCCCC1(N)CSCCSC1 2237054381 MGJIKOOBSPMTDY-UHFFFAOYSA-N 317.608 5.475 30 10 DKEE C=C[C@@H](CC)OC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2239486743 JNXHTTHCZNXOHB-XJKSGUPXSA-N 316.272 5.015 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)c1cc(F)cc(F)c1 2281336636 LUJBSZKVGVGKDD-HXUWFJFHSA-N 303.418 5.121 30 10 DKEE CCCCCCCCC[C@H](NN)c1csc(Cl)c1OC 2284278775 BUETVVDMNLZNCY-ZDUSSCGKSA-N 318.914 5.055 30 10 DKEE C=CCCCCCCCSCCNc1ccc(Cl)cc1 2287071409 TYNQMPRPHNYCIV-UHFFFAOYSA-N 311.922 6.012 30 10 DKEE C=CCC[C@@H](C)[C@H](OCCCN)c1ccc(Cl)cc1Cl 2294231283 PQAGPJYPNAASRM-WBMJQRKESA-N 316.272 5.002 30 10 DKEE O=C(C=Cc1ccc(-c2ccccc2)cc1)c1ccccc1F 2294299893 MVBAHDQYTIDIBE-UHFFFAOYSA-N 302.348 5.389 30 10 DKEE CCCCCCCCC=CCCCCCCCC(=O)NCC 2296559866 JZJYYCFYGXPUMF-UHFFFAOYSA-N 309.538 6.160 30 10 DKEE C=CCC(CC=C)[C@](C)(O)c1ccc(OCc2ccccc2)cc1 2301067179 XIZLRDGYJCDJNP-QFIPXVFZSA-N 322.448 5.242 30 10 DKEE CC(=NOCc1cc(Cl)ccc1F)c1cccc(Cl)c1 2330498547 KTKHVJMOGHCROX-UHFFFAOYSA-N 312.171 5.073 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)cc(Cl)c1 2365070314 JJUDBFHVUJMYOM-CJNGLKHVSA-N 310.268 5.084 30 10 DKEE CC(C)CCC[C@@H](C)CCOCC1(CS)CC(C)(C)C1 2371133866 QTGNFTPRECIMFY-MRXNPFEDSA-N 300.552 5.592 30 10 DKEE CC(C)(C)c1ccc(/C=N/Nc2nc3ccccc3s2)cc1 3909571 RPTVVRZOVZBRQS-XDHOZWIPSA-N 309.438 5.040 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21 20707908 GQFQZGAVFMUVDX-KCZVDYSFSA-N 322.411 5.538 30 10 DKEE Oc1c(Cl)cccc1/C=N/c1ccc2c(c1)oc1ccccc12 59382075 WQZHQWPKXGZAAQ-SRZZPIQSSA-N 321.763 5.696 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(Cl)cc1F 112888159 DGGFCENODIXJMH-QGZVFWFLSA-N 300.845 6.043 30 10 DKEE CCCCCCC[C@H](NCCC)c1cnc2ccsc2c1 126317169 BEMORCKVSYSXNP-INIZCTEOSA-N 304.503 5.698 30 10 DKEE Cc1cc(F)ccc1-c1sc(C#N)c(N)c1-c1cccs1 127604977 NKCUVRMLLIHWCB-UHFFFAOYSA-N 314.410 5.045 30 10 DKEE CSc1cccc(Oc2ccc(Cl)cc2Cl)c1C#N 136705529 AMOKHPIBXGNTFS-UHFFFAOYSA-N 310.205 5.379 30 10 DKEE CCCCCCCCC[C@@H](COc1cccc(Cl)c1)NC 139391199 LEVVSUOOWQAEPY-KRWDZBQOSA-N 311.897 5.448 30 10 DKEE CCCCCCCC[C@H](NC)c1ccccc1C(F)(F)F 158968416 NEMQWWWJYKAOIW-INIZCTEOSA-N 301.396 5.717 30 10 DKEE CCCCCCCC[C@H](Cc1cccc(Cl)c1Cl)NN 229014537 NBWFMUPCFMCYCY-CQSZACIVSA-N 317.304 5.118 30 10 DKEE CCCCCCCCCCCc1nc(Br)ns1 230109618 AFDQFNXAUBKXSX-UHFFFAOYSA-N 319.312 5.374 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2ccc(C)c(Br)c2)C1 317349396 SUXJLBWLDGOVTN-RHSMWYFYSA-N 323.274 5.086 30 10 DKEE Cc1c(F)c(F)c(-c2ccc(OC(F)(F)F)cc2)c(F)c1F 514258940 BIKARZOEBYAXKO-UHFFFAOYSA-N 324.195 5.117 30 10 DKEE Cc1cc(C#N)ccc1Nc1cccc(Br)c1Cl 690863476 GANGFJPBIUTTNN-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@H](C#N)Sc1ccc(Br)cc1 704940266 ICWNPXHNCAEACT-DFBGVHRSSA-N 324.287 5.260 30 10 DKEE CCCCCC/C=C\C(=O)Nc1ccc(Cl)c(Cl)c1 1088671104 JZBBXSYSDQLDGA-FPLPWBNLSA-N 300.229 5.459 30 10 DKEE Clc1ccc(C#Cc2cccc(Cl)c2Cl)cc1Cl 1614826009 FAJZPNHDVLMRHJ-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE CCCCCCCCNC(=O)c1ccccc1-c1ccccc1 1865946299 BYHJWOZCEWGYDX-UHFFFAOYSA-N 309.453 5.444 30 10 DKEE C=C([C@@H](NCCC)c1cc2cscc2s1)[Si](C)(C)C 1922341501 BFFHQAKZNFCHOA-OAHLLOKOSA-N 309.576 5.437 30 10 DKEE C=CCCCC[C@H](NC)c1cscc1OCc1ccccc1 1975336328 XDPSMKRKOXUVAS-SFHVURJKSA-N 315.482 5.334 30 10 DKEE C=CCC[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2048233104 PIRBFOUJPNRAFS-VHSXEESVSA-N 306.664 5.652 30 10 DKEE CC(C)(C)c1cc(C=NNc2ccccc2)c(O)c(C(C)(C)C)c1 2059845844 NUXAOINQSNATJH-UHFFFAOYSA-N 324.468 5.433 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(Br)c(F)c1 2077491466 ZUFWIJDBNGFNPP-HNNXBMFYSA-N 316.258 5.123 30 10 DKEE FC(F)c1cccc(SC(F)(F)F)c1OC(F)(F)F 2081026193 TZGUJYSOSZHVSE-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(C)c(Br)o1 2085853684 GGANECWENVLENG-ZDUSSCGKSA-N 314.267 5.138 30 10 DKEE FC1(F)CCC(SCC2(CS)CCCCCC2)CC1 2088613977 WNUVBZYSEOAZLE-UHFFFAOYSA-N 308.503 5.568 30 10 DKEE C=CCC[C@H](C)[C@H](N)c1ccc2cc(Br)ccc2c1 2102113014 WSGKGYIJFGWIRT-SJCJKPOMSA-N 318.258 5.204 30 10 DKEE CCN[C@H](CC#CC1CCCCC1)c1scc(C)c1Cl 2149857805 MAJLBSIPUJMCDQ-OAHLLOKOSA-N 309.906 5.334 30 10 DKEE C=C(C(=O)c1ccc(-c2cccc(Cl)c2)s1)C(C)(C)C 2164063554 UVYKLUPYSWNXPM-UHFFFAOYSA-N 304.842 5.854 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1c(F)ccc(F)c1Cl 2164225855 BAIOMTVEEHHTJR-BDJLRTHQSA-N 301.808 5.261 30 10 DKEE CCCCCCCC[C@@H](NCCC)C1(P(C)(C)=O)CC1 2204447897 WEDMTEYJDNLDQO-MRXNPFEDSA-N 301.455 5.261 30 10 DKEE CCCCCCCCCNc1c(Cl)ccc2scnc12 2207446727 FFTJJFKHIWSYGW-UHFFFAOYSA-N 310.894 6.112 30 10 DKEE CCCC#C[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2233782573 OFHMAYYRBUQRRK-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=CCCCCCCC[C@H](NC)[C@@H]1CS[C@H](C)[C@H](C)S1 2235518188 DMFKLEXCRSAKHC-QZWWFDLISA-N 315.592 5.117 30 10 DKEE C=C([C@@H](NC)c1ccc(Cl)c(C(F)(F)F)c1)[Si](C)(C)C 2236311434 ZZKWGXDCTRRRLS-CYBMUJFWSA-N 321.846 5.053 30 10 DKEE N#Cc1cccc(Br)c1Sc1ccc(Cl)cc1 2248958113 AKJWZMNXKACGRU-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE C#CC[C@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286474503 RKHKYSXQOFCDRD-YVEFUNNKSA-N 312.284 5.392 30 10 DKEE Fc1ccc(OCCCCCCCS)cc1C(F)(F)F 2294695573 YRQVGMTVWMWFAY-UHFFFAOYSA-N 310.356 5.104 30 10 DKEE CC(=NOCCCOc1ccccc1)c1ccc(C(C)C)cc1 2330454672 VCOLOULETCPNMD-UHFFFAOYSA-N 311.425 5.020 30 10 DKEE C#C[C@H]1CC[C@@H](N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 2333896670 FIXJFBCYNCRPIC-GARJFASQSA-N 316.659 5.099 30 10 DKEE CCCCC#CCOc1ccc(Br)cc1C(C)(C)C 2341009824 MCZSDIQWVRSBSB-UHFFFAOYSA-N 323.274 5.319 30 10 DKEE N#C[C@@]1(CCCCC(F)(F)C(F)(F)F)CCC(F)(F)C1 2368111993 WJOPBSWFVAPVMI-VIFPVBQESA-N 305.237 5.074 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(C(F)(F)F)s1 2370499690 ANZSVXUEHBIQQY-KBPBESRZSA-N 305.409 5.410 30 10 DKEE N#Cc1ccc(-c2csc(CSC3CCCCC3)n2)cc1 87151413 MQNYNJRNYOQYAX-UHFFFAOYSA-N 314.479 5.248 30 10 DKEE CCCCCCCC(=O)c1cc(C)c(Br)cc1C 112334163 APGJYPRQQHVLJW-UHFFFAOYSA-N 311.263 5.609 30 10 DKEE CCCCCCCCCC(=O)Cc1ccc(Cl)c(Cl)c1 112884043 ISCPBPXDNPKIDK-UHFFFAOYSA-N 315.284 6.246 30 10 DKEE CCCCCCCCCOc1ccc(Br)c(F)c1 115944555 VZKWWMOXDIFYDH-UHFFFAOYSA-N 317.242 5.718 30 10 DKEE CC(C)c1cccc(Nc2cc(Br)ccc2C#N)c1 123099779 QZWCYKDERIEVAZ-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(C)c(C)cc1Cl 125521062 QESYWWVNROOUIN-LJQANCHMSA-N 309.925 6.358 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H]1CCCc2sc(Cl)cc21 128215982 OFEPCCIZSAMQHU-CYBMUJFWSA-N 302.830 5.071 30 10 DKEE CCCCCCCCCOc1cc(F)cc(Br)c1 157267864 OSYBHIILHASETB-UHFFFAOYSA-N 317.242 5.718 30 10 DKEE CCCCCCCCC(=O)c1cc(C)cc(Br)c1 164751173 KGEGCEDTNNVQEK-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Br)c(Cl)c1 168215282 PWQNAAMQQGWDLL-AWEZNQCLSA-N 319.670 5.496 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cc(Cl)ccn1 228830918 NRWZHMFALYPCFI-UHFFFAOYSA-N 310.869 5.594 30 10 DKEE C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@H]1C3 257410961 DWTRNJFPDXIFSY-XCPHWNSOSA-N 316.485 5.129 30 10 DKEE endogenous,in-man C=CCC(C)(C)CN[C@H](C)c1ccc(OCc2ccccc2)cc1 310566734 MGXRYLXTMHAKCA-GOSISDBHSA-N 323.480 5.519 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1cccc(Cl)c1Cl 387560505 XPFJOZWGPYYWEN-INIZCTEOSA-N 316.272 5.015 30 10 DKEE C=C(CC)CC(=O)[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 405975922 KZFWBLKKZUFJHT-AWEZNQCLSA-N 317.429 5.063 30 10 DKEE CCCCCCCCCC1(N)CC(OCc2ccccc2)C1 716180484 IDONUCQWGAMZSS-UHFFFAOYSA-N 303.490 5.204 30 10 DKEE CCSc1ccc(/C(CC)=N/OCc2cccc(F)c2)cc1 821226911 MYBHNFQGQLRGGB-CZIZESTLSA-N 317.429 5.269 30 10 DKEE CC(C)Cc1ccc(C#Cc2ccccc2Br)cc1 1614827174 NVZVCEGZYWJHPQ-UHFFFAOYSA-N 313.238 5.047 30 10 DKEE Cc1ccnc(-c2cc(Cl)c(Cl)cc2Cl)c1CC#N 1848360118 VRAMMWPORQQREO-UHFFFAOYSA-N 311.599 5.083 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(OCc2ccccc2)cc1 1901009401 NOAXCLFFUCGPQB-UHFFFAOYSA-N 306.405 5.217 30 10 DKEE C=CC[C@@H](C)OC[C@@H](NCCC)c1c(Cl)cccc1Cl 1913348978 LKSZFEGVCWPCQG-IUODEOHRSA-N 316.272 5.015 30 10 DKEE C=C(C)CN(CCCCCCNC(C)(C)C)Cc1ccccc1 1914955919 DCFOZKPISGHTMH-UHFFFAOYSA-N 316.533 5.013 30 10 DKEE C[C@@H]1CC[C@](C#N)([C@H](O)c2c(Cl)ccc(Cl)c2Cl)C1 1921099454 OJWZATXGMVHOTM-WZYXQFPFSA-N 318.631 5.010 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 1931997711 BOSBJPHUICLMHX-OAHLLOKOSA-N 312.844 5.263 30 10 DKEE CCCCCCCCC=CCCCCCCCC(=O)NCCC 1933278063 OGWMUXVWUHUNMI-UHFFFAOYSA-N 323.565 6.550 30 10 DKEE C=CCC[C@H](C)[C@]1(N)CCC(C)(C)C[C@H]1OCc1ccccc1 1977508764 XTPVEGRFUJKDBY-FBBABVLZSA-N 315.501 5.082 30 10 DKEE C=CCCCCCC[C@@H](O)c1sc(C)cc1Br 2026062271 JBYWLOQYLGLDGF-CYBMUJFWSA-N 317.292 5.379 30 10 DKEE Cc1ccsc1C=C1C(=O)c2ccccc2[C@H]1c1ccccc1 2053542046 RBZTXSSTTRDXMK-HXUWFJFHSA-N 316.425 5.468 30 10 DKEE C=CCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2059110261 ABWHXAMQHNZHAB-GFCCVEGCSA-N 306.664 5.654 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1ccc(Br)cc1F 2085282162 AKPOVXBRWYFFRE-SCDSUCTJSA-N 310.210 5.022 30 10 DKEE C=CC1(n2c(S)nc3ccc(Cl)c(Cl)c32)CCCC1 2121647997 BHZFOAZAPIZNQV-UHFFFAOYSA-N 313.253 5.087 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H](O)c1csc(Cl)c1 2154436252 XMQBXZLCCPKLQJ-GOEBONIOSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1csc(Cl)c1 2154437366 UZHNXIJOZLNTLW-HNNXBMFYSA-N 316.942 5.827 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1c(Cl)cccc1C(F)(F)F 2158326918 GIDJHXZFXPPWJX-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE C=CC1(C[C@H](NCC)c2ccsc2C(F)(F)F)CCC1 2168024189 RXPHPZKMRAXLDP-LBPRGKRZSA-N 303.393 5.164 30 10 DKEE Cc1cc(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)sc1C 2203956590 LBFQRWRMEGZNQC-ZDUSSCGKSA-N 324.232 5.162 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Br)oc1C 2220082909 FOSQBXDXMRAGIX-UHFFFAOYSA-N 313.235 5.450 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1ccc(Cl)cc1Cl 2231538857 RBLWHLGFGYBRPF-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=C(C)C[C@@H](NCCC)c1scc(Br)c1Cl 2242661817 NOXMFDWNHZVQHR-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(C)c(Br)s1 2250147341 GNDCSPOUCUDNBI-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE CCC#CC[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265966567 DKJULSVBDLOZQA-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2289854968 OJONCLSVRGVUQL-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE N=NC(=NN(c1ccccc1)c1ccccc1)c1ccccc1 2295363921 IUJAKVDAVKXDQV-UHFFFAOYSA-N 300.365 5.217 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2321149276 WSVZZSVKTFCBGY-LKFCYVNXSA-N 306.664 5.510 30 10 DKEE Cc1c(Cl)ccc([C@H](C)[C@@]2(C#N)CCCS2)c1Cl 2327958913 OTJHBIYPQSBMGT-HZMBPMFUSA-N 300.254 5.195 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](CC)c1ccc(Br)cc1 2337079024 KOABMWLGFRKUOL-RRQGHBQHSA-N 322.290 5.235 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2344344015 RACNSPXKOKDIOB-JKSUJKDBSA-N 300.273 5.636 30 10 DKEE C#CCCN(Cc1ccc(Cl)c(Cl)c1C)C1CCCC1 2364275654 HFWHYQHVLCZALS-UHFFFAOYSA-N 310.268 5.070 30 10 DKEE Cc1c([C@H](O)CC#CC2CCCCC2)ccc(Cl)c1Cl 2364547094 CXWGIVUVPUYUIC-MRXNPFEDSA-N 311.252 5.309 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2370502509 XZOZRMJPFLDFRM-ZIAGYGMSSA-N 305.771 5.351 30 10 DKEE C=CC[C@H](C)[C@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377412333 VYMLTYHYHSBQHJ-ZBEGNZNMSA-N 318.263 5.255 30 10 DKEE Cc1ccc(/N=C/c2ccc(C(C)C)cc2)cc1Br 59519120 YEIIUJVFYKBSLB-YBFXNURJSA-N 316.242 5.632 30 10 DKEE CCCCOc1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1 77086269 XFHGKBGPZOSKFZ-UHFFFAOYSA-N 309.287 5.016 30 10 DKEE CC(C)Oc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)cc1 83204894 DDPXVLKJYDWBRP-MDWZMJQESA-N 324.420 5.157 30 10 DKEE CCc1cc(OCC2(CS)CCCCCC2)ccc1Cl 94584437 NQLCLANTLBTSNN-UHFFFAOYSA-N 312.906 5.552 30 10 DKEE CN(CCCCCCCCCS)Cc1cccc(Cl)c1 97799329 KIYIZNQZNJDKCZ-UHFFFAOYSA-N 313.938 5.432 30 10 DKEE CCCCCCCNCCNc1ccc(OCCC(C)C)cc1 100052480 DWXSMASWLHDUBQ-UHFFFAOYSA-N 320.521 5.083 30 10 DKEE C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(Cl)cc1C#N 110258425 JRUSFHHIXQEMRA-NSHDSACASA-N 305.208 5.062 30 10 DKEE Cc1cc(Br)ccc1Oc1ccc(C#N)cc1Cl 110263162 ZFMMDTCBVVDJRY-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCC[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 127736877 XWYKOVZCOOXHLX-MRXNPFEDSA-N 319.235 5.818 30 10 DKEE Cc1cccc(Nc2ccc(Cl)cc2C#N)c1Br 131515787 PBLLMKACUZBVAA-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=C(C)[C@H](C(C)C)N(Sc1ccccc1)C(=O)OC(C)(C)C 141310417 NXPVSFUIKPVAMA-MRXNPFEDSA-N 321.486 5.532 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1CSc2ccccc21 143443422 YUKRSOBFNLGKCA-MSOLQXFVSA-N 305.531 5.734 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc2ccccc2s1 158204324 XFMSGWLNDYGWRP-QGZVFWFLSA-N 303.515 6.303 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ncccc2Cl)C1 227473103 JIAUDNAHEVBEBI-NFAWXSAZSA-N 322.905 5.572 30 10 DKEE CCCCCCCCCC[C@@H](O)c1c(Cl)cccc1OC 228777211 AZWVAQDTKUCNOD-MRXNPFEDSA-N 312.881 5.913 30 10 DKEE C=C(CC)C[C@H](NC)c1ccc2cc(Br)ccc2c1 229759392 FWUBQDYKSUTDEJ-KRWDZBQOSA-N 318.258 5.219 30 10 DKEE CC(C)(C#N)CCCCSc1cccc(Br)c1 232524442 IZSRSZDXDRTNQJ-UHFFFAOYSA-N 312.276 5.261 30 10 DKEE Cc1ccc(-c2nc3cc(N=Cc4ccccc4)ccc3o2)cc1 252629944 UQTJJPARMINQOW-UHFFFAOYSA-N 312.372 5.554 30 10 DKEE C#CCCC[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 305752456 LFMFDLIXNXFHCE-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=CCCCCCCN[C@H](C)c1cc(Br)cs1 310229859 PSODFSOYLWPCGP-GFCCVEGCSA-N 316.308 5.298 30 10 DKEE N#Cc1ccc(OCCCCCCCCCS)c(Cl)c1 380199157 DMCCOQUZFDLXBZ-UHFFFAOYSA-N 311.878 5.251 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1ccc(Br)cc1 686678239 NIVNAPTUTPAZCA-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCC[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698419582 OAZRZLNHZJPBFZ-RHSMWYFYSA-N 316.445 5.065 30 10 DKEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698855510 ZNIBKDZDZBVQNS-GOSISDBHSA-N 320.408 5.040 30 10 DKEE N#CCc1cc2c(SC(F)(F)F)ccc(C(F)F)c2s1 725296951 DKNDHAOLEAJAIR-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE N#CCc1cc2scc(C(F)(F)F)c2cc1C(F)(F)F 725324730 TYSPELYHBHQHDV-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE Cc1ccc(N=Cc2ccc(N3CCCCC3)cc2)cc1Cl 1084361880 WGWHNMYHJJZYGT-UHFFFAOYSA-N 312.844 5.389 30 10 DKEE Fc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1C(F)(F)F 1848364000 WCAFEIQKSCRSGY-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCCCCCCCOc1ccc(NC(=O)C=C(C)C)cc1 1860158095 NWZRTVSKTZNRBH-UHFFFAOYSA-N 317.473 5.721 30 10 DKEE CCCCCCCCCCCC(=O)NCCc1nc(C)cs1 1865984795 JGBOISIHANLPGA-UHFFFAOYSA-N 324.534 5.031 30 10 DKEE C=CCCCCC[C@@H](O)c1c(C)sc(C)c1Br 1948471549 YOTJRGOOBIWJTC-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE C=CCC[C@H](C)N[C@H](C)c1ccc(Br)cc1Cl 2002056915 KFSBLXMVIMSKIN-WDEREUQCSA-N 316.670 5.108 30 10 DKEE C=CCCCCCCNc1cc(Br)c(F)cc1F 2085849776 OFGLKHFPPQHTRP-UHFFFAOYSA-N 318.205 5.276 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cccc(Cl)c1Cl 2141913073 DXPAVMYYSRJMPV-INIZCTEOSA-N 300.273 5.694 30 10 DKEE C=CCCCCCCCCC(=O)c1ccncc1Br 2142434930 LYVGGPLSEYYXRM-UHFFFAOYSA-N 324.262 5.334 30 10 DKEE CCCN[C@H](CC#CC1CCCCC1)c1ccc(Cl)s1 2149863544 BTUPBGCTXTXCTG-OAHLLOKOSA-N 309.906 5.416 30 10 DKEE C[C@@](N)(CC#CC1CCCCC1)c1cccc(Cl)c1Cl 2154708665 MEGSZXOIBMJFKO-QGZVFWFLSA-N 310.268 5.141 30 10 DKEE CCCCCCCCCC[C@@]1(O)CC[C@@H](P(C)(C)=O)C1 2160808137 VRCAYRJVTNCXFJ-IAGOWNOFSA-N 302.439 5.424 30 10 DKEE C=C1CC(C[C@H](NCCC)c2csc(C(F)(F)F)c2)C1 2182157961 MQOCBGQQOVWVLH-ZDUSSCGKSA-N 303.393 5.164 30 10 DKEE C=CCCCCCCCCN(CC(F)F)CC(F)(F)F 2207375442 GDLJCTLKEZEYCL-UHFFFAOYSA-N 301.343 5.033 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1ccc(Cl)cc1Cl 2235519422 PRVOUAZVOZZEAP-INIZCTEOSA-N 314.300 5.780 30 10 DKEE CC#CCCC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2235755730 FJUUJRFSRXOFTE-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(Br)c(F)cc1C 2259236258 ZPPUQEOAVOMELL-HNNXBMFYSA-N 315.226 5.067 30 10 DKEE C=CCCCCCC[C@@H](OCCCN)c1ccsc1Cl 2292772842 WOUPKWJGNCPGDE-OAHLLOKOSA-N 315.910 5.335 30 10 DKEE CCCCCCCCC[C@@H](C)NCC1(P(C)(C)=O)CC1 2295677615 UMVVOEYUHQAWIA-MRXNPFEDSA-N 301.455 5.261 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)sc1CN[C@H](C)CC 2313689359 OJOLYIQBEYMZIR-GHMZBOCLSA-N 303.924 5.346 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1cccc(Cl)c1Cl)NC 2344349383 SHQZJUJLWHBBLG-GOEBONIOSA-N 300.273 5.116 30 10 DKEE CC1(C)CC(CS)(COCc2cccc(Cl)c2Cl)C1 2344977454 MULPWXIABBJZBW-UHFFFAOYSA-N 319.297 5.246 30 10 DKEE O=C1C(=C2SCCCS2)CC/C1=C\c1ccc(Cl)cc1 3351223 HBEWNRVJTVDRNF-ZRDIBKRKSA-N 322.882 5.168 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 14464844 NLYKBTGKQORCRM-FCEWJHQRSA-N 306.796 5.038 30 10 DKEE CCCCCC[C@@H](C)Nc1ccc(C#N)cc1Br 37072209 CVUKVWFTSFCLHB-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE C[C@H](Nc1oc(-c2cccc(Cl)c2)nc1C#N)c1ccccc1 39841449 WYEUXQMZNVLVSF-LBPRGKRZSA-N 323.783 5.040 30 10 DKEE C#CCN1CC2(CCC(C(C)(C)C)CC2)Nc2cc(C)c(C)cc21 75281388 WVNVHIROHUPDKA-UHFFFAOYSA-N 324.512 5.144 30 10 DKEE Cc1cc(OC(C)C)ccc1C(=O)/C=C/c1ccc(Cl)cc1 83193009 BOGRTEQORHGETF-IZZDOVSWSA-N 314.812 5.332 30 10 DKEE CCCCCCCCOc1ccccc1[C@H](C)NCC1CC1 100047163 YVXQDDIBLCYCQH-KRWDZBQOSA-N 303.490 5.487 30 10 DKEE CCCCCCC[C@H](Nc1ccccc1)n1nnc2ccccc21 102994274 UNYASJCWXIJQNJ-HXUWFJFHSA-N 322.456 5.403 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)ccc1Cl 115064653 CMULIJOGEXTNPX-INIZCTEOSA-N 303.273 6.168 30 10 DKEE Cc1ccccc1NC(=Nc1ccccc1)Nc1ccccc1C 168594198 LDOUHPVQNOTZJE-UHFFFAOYSA-N 315.420 5.515 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1cc(OC)cs1 229285043 MHQOKBKUPLIJMX-QGZVFWFLSA-N 312.519 6.101 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1sccc1Cl 229969668 WJWGEKRBTLZPMX-HNNXBMFYSA-N 316.942 5.827 30 10 DKEE CCCCCCCCC[C@H](O)[C@H]1CCC[C@@H](C(F)(F)F)C1 232262257 YAQXQUMIAUJOLL-XHSDSOJGSA-N 308.428 5.857 30 10 DKEE CCC[C@H](Nc1ccc(C#N)cc1Br)C1CCCC1 313388311 BRAZRJHIRXGZCY-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE CC[C@H]1CC[C@@](C#N)(Cc2ccc(C)c(Br)c2)C1 314199837 ONYAZFKZBQKCMR-BBRMVZONSA-N 306.247 5.020 30 10 DKEE N#C[C@H](CSc1cccc(Br)c1)C1CCCCC1 397311108 OEAHGWLEZQHEBT-CYBMUJFWSA-N 324.287 5.261 30 10 DKEE C[C@](C#N)(CC1CCCCC1)Nc1ccccc1Br 689710873 IJVKIUUURGVISB-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)C1CCCCCCC1 698853228 RSCABNXIFQEAQK-KRWDZBQOSA-N 322.493 5.132 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CC(C)(C)C)cc1 698921872 LUORVUIBVBNMKY-INIZCTEOSA-N 316.445 5.065 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@H]1C(C)(C)C 698965607 QCWRMMXFRFJFDM-DNVCBOLYSA-N 322.493 5.132 30 10 DKEE CCCCCCC[C@H](C[C@@H](C)COCc1ccccc1)NC 719190690 IXTFSQJECHSZBZ-UYAOXDASSA-N 305.506 5.178 30 10 DKEE CCCCCOc1ccc(C#Cc2ccccc2SC)cc1 725436251 VIXHKTRKYUDHIY-UHFFFAOYSA-N 310.462 5.377 30 10 DKEE C[C@H]1CC[C@](C#N)(Cc2sc(Cl)cc2Br)C1 1903682859 KNFWVCPJSXGGMH-QPUJVOFHSA-N 318.667 5.036 30 10 DKEE C[C@@H](CCS)CCN(Cc1ccccc1)[C@H](C)C(C)(C)C 1931999215 WFJHURKQNYBWLL-IAGOWNOFSA-N 307.547 5.269 30 10 DKEE C=CCC(C)(C)COCc1ccc(Cl)cc1Br 1941194130 YHFFJCPWOYEBOQ-UHFFFAOYSA-N 317.654 5.221 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@H]1C[C@@H]1C1CCCCCC1 1993110142 XEFIXXNZMISNPP-FGZHOGPDSA-N 311.513 5.671 30 10 DKEE CCCCC[C@H](CC)Nc1ccc(Br)c(C#N)c1 2073351296 URMOUEUKAZVLST-ZDUSSCGKSA-N 309.251 5.092 30 10 DKEE N#C[C@]1(Cc2ccccc2Br)CCCCC12CCC2 2116995097 LAIYRCJAUKGHSO-QGZVFWFLSA-N 318.258 5.246 30 10 DKEE C=CCCCCCC[C@](C)(O)c1c(Cl)cccc1Cl 2141999917 SMEHUWOMNYJHDQ-INIZCTEOSA-N 301.257 5.728 30 10 DKEE CCCCCCCC[C@H](C#N)Nc1cccc(Br)c1 2142468833 FEVXDEWUZNTZJW-MRXNPFEDSA-N 323.278 5.504 30 10 DKEE C[C@H]1C[C@@](C#N)(Nc2ccc(Cl)cc2)c2ccsc2S1 2152748374 IZIGYKULGSIOAG-BONVTDFDSA-N 320.870 5.117 30 10 DKEE C=C([C@@H](NCC)c1cc(-c2cccs2)cs1)C(F)(F)F 2164119380 AONPSRWTZKPTQJ-CYBMUJFWSA-N 317.401 5.246 30 10 DKEE CCCC(CS)(CCC)CN1CCC[C@@H]1c1ccsc1 2170014015 KLJFMISDYFEKPT-MRXNPFEDSA-N 311.560 5.401 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cscc2C(F)(F)F)C1 2182172370 KPVTUDRBUIOQGO-AWEZNQCLSA-N 303.393 5.164 30 10 DKEE C#CC[C@H](C)C[C@H](N)c1ccc(-c2ccccc2Cl)s1 2196856261 GIVFKYNRXFOKIR-WFASDCNBSA-N 303.858 5.118 30 10 DKEE CCCCCC#CC[C@H](NCCC)c1ccc(SC)s1 2203793412 UYFDWIWCRKTKNM-HNNXBMFYSA-N 309.544 5.485 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1cc2sccc2s1 2205532707 XYKCNOXSJXGQKI-HOCLYGCPSA-N 305.468 5.106 30 10 DKEE C=CCCCCCCCCCNCCc1ccc(Cl)s1 2207413252 JAXITSNSSYYOLC-UHFFFAOYSA-N 313.938 5.840 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(C)cccc1Br 2227272846 FADFTBMDEOPFHD-MRXNPFEDSA-N 324.306 5.674 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cc(F)cc(Cl)c1 2238005416 ARSAOZXDLCRTNM-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC[C@@H](NCCC#CC(C)(C)C)c1ccc(Cl)cc1Cl 2238719219 FSIODYREQKXMQF-MRXNPFEDSA-N 312.284 5.474 30 10 DKEE CCCCCCCCC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 2244002733 OIPYOVRXFNSIHN-HXUWFJFHSA-N 315.501 5.218 30 10 DKEE CCCCCCCCCCN=c1[nH]cc(C(C)(F)F)s1 2279283851 QQJSHDKNSPFSRK-UHFFFAOYSA-N 304.450 5.229 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1csc(Cl)c1OC 2284267622 ITNWQVBEFKIMJD-CQSZACIVSA-N 315.910 5.587 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2ccc(Cl)nc2Cl)CC1 2286788912 NBHKKTGRIYQXIC-INIZCTEOSA-N 314.256 5.107 30 10 DKEE Cc1ccccc1CON=C(c1ccc(C(C)(C)C)cc1)C1CC1 2330324958 WMQMKHSQWWVNJJ-UHFFFAOYSA-N 321.464 5.623 30 10 DKEE C=C(CNCc1ccc(Cl)c(Cl)c1C)c1ccccc1 2364477019 PUSWBWYSRSPXQJ-UHFFFAOYSA-N 306.236 5.105 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2cc(Cl)ccc2Cl)C1 37154530 UFVOZQSKPSWFKB-COPLHBTASA-N 314.281 5.804 30 10 DKEE N#Cc1cccc(N[C@@H](c2ccco2)c2ccc(Cl)s2)c1 37203247 DUMAPDWAFJEUPT-INIZCTEOSA-N 314.797 5.068 30 10 DKEE Cc1cccc(OCC[C@H](C#N)c2cccc3ccccc23)c1 57686183 NFHODSIKMPBVRP-GOSISDBHSA-N 301.389 5.225 30 10 DKEE O=C1/C(=C/Nc2cc(Cl)ccc2Cl)Sc2ccccc21 102811460 PUVNFIJTZOLFCN-ZSOIEALJSA-N 322.216 5.235 30 10 DKEE CCCCCCC[C@H](C)Nc1c(Cl)ccc2scnc12 109779546 FFFBOMAKJPTUHD-LBPRGKRZSA-N 310.894 6.111 30 10 DKEE CCCCCCCCCCNc1ccc(F)cc1C(N)=S 129346543 WMLAHLFXCLTWTE-UHFFFAOYSA-N 310.482 5.013 30 10 DKEE N#Cc1cc(Br)cc(Oc2ccc3ccccc3c2)c1 227634082 RJOPKCROEZLWNH-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCC[C@H](N)Cc1cccc(Cl)c1Cl 228979234 LZXKWWVSTYKXBN-AWEZNQCLSA-N 302.289 5.614 30 10 DKEE CC(C)(CCC#N)CNc1ccc(Cl)c(C(F)(F)F)c1 229673183 OAAPPDAJWSOUNI-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE C=CCCCCCCNc1ncc(Br)cc1Cl 382427242 YOOQPUIZPXFGCE-UHFFFAOYSA-N 317.658 5.046 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@](C)(C#N)C1CCC1 698838714 IUHZUPCEEDTUGW-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=CC(C)(C)CCNCc1c(Cl)ccc(Cl)c1Cl 701865732 VYGBKEBEICKPEX-UHFFFAOYSA-N 306.664 5.339 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1NCCc1cc(Cl)cc(Cl)c1 722129353 JZLKBZLUJVQNOC-YOEHRIQHSA-N 312.284 5.260 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1cccc(OCc2ccccc2)c1 1899885633 VMMHPAWEXFSQKL-LAUBAEHRSA-N 309.453 5.128 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@]1(C)CCCCC1(F)F 1960756985 LRSPYCRWMBJQIW-SFHVURJKSA-N 307.428 5.280 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1cccc(OCc2ccccc2)c1 1996710603 UILIVGZENNOBOE-IRLDBZIGSA-N 321.464 5.273 30 10 DKEE C=CCC[C@@H](NCCC)c1sc(CC)cc1Br 2000449838 MVLLBRIERAQHEL-CYBMUJFWSA-N 316.308 5.080 30 10 DKEE CCCCCC#CCNc1c(C)cc(C)cc1Br 2083409705 CXLCXZYEMMKFBH-UHFFFAOYSA-N 308.263 5.062 30 10 DKEE C=CCC[C@@H](C)[C@@](C)(O)c1cc2cc(Br)ccc2o1 2102096417 NEAGNFXUSAADTC-BDJLRTHQSA-N 323.230 5.005 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cccc(C)c1Br 2102111405 MJZQUYUYGPDMNN-PBHICJAKSA-N 324.306 5.401 30 10 DKEE Cc1cccc(C[C@@]2(C=O)CCCCC2(C)C)c1Br 2117048842 KTDFULFOASPVGT-QGZVFWFLSA-N 323.274 5.086 30 10 DKEE C#C[C@@H](N[C@@H](C)c1cc(Cl)sc1Cl)C1CCCCC1 2138972823 CSZHHYMFKZHZFP-GXFFZTMASA-N 316.297 5.288 30 10 DKEE N#Cc1ccc(Cl)cc1N1CCCC[C@H]1c1cccs1 2171823977 LWMZBYZYXXFTSU-AWEZNQCLSA-N 302.830 5.005 30 10 DKEE CC[C@@H](CN(C)CCCCCCCCCS)C(C)(F)F 2171926782 CUJCPTMLBOBLOK-HNNXBMFYSA-N 309.510 5.260 30 10 DKEE CCCCC#CC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2203952673 XPDBKSYSDRROFX-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCN1CCC[C@H](OCc2ccccc2)C1 2211239276 MBNINQVBHNTWGU-NRFANRHFSA-N 315.501 5.194 30 10 DKEE C=CCCCCCCC[C@H](NCCC)[C@@H]1CSCCS1 2235518570 HWLNDAJAXMCPSW-IRXDYDNUSA-N 315.592 5.120 30 10 DKEE C=CCCCCCCC[C@@](C)(O)c1cc(Cl)ccc1Cl 2235531717 CCOQPXFHSILEPR-QGZVFWFLSA-N 315.284 6.118 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1cccc(Cl)c1Cl)NCCC 2235756133 HQSYGTSJMWWJSM-BBRMVZONSA-N 314.300 5.506 30 10 DKEE N#Cc1cnc(SCCCCCCCC2CC2)c(Cl)c1 2239333717 DDQFQANWDCWGSC-UHFFFAOYSA-N 308.878 5.449 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(Br)c(F)c1C 2259170945 NHJUZPHNZTZBPA-UHFFFAOYSA-N 313.210 5.216 30 10 DKEE N#Cc1sccc1CNc1c(Cl)cc(Cl)cc1Cl 2263178841 YLQSIHCTMVTKDS-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE C=C(C)CCCC[C@](O)(CC)c1ccc(Cl)c(Cl)c1 2271796068 BFHJKLIHLNXHCP-MRXNPFEDSA-N 301.257 5.728 30 10 DKEE C[C@@H](CC(C)(C)C#N)SCc1ccccc1Br 2302465570 GWWZBOQVORCSHL-NSHDSACASA-N 312.276 5.011 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2339006546 GVPSTKJEUQDWFB-BDJLRTHQSA-N 300.273 5.555 30 10 DKEE C=CCC(C)(C)CNCCCc1cc(Cl)cc(Cl)c1 2341136076 FTMMOJQAIVZYLS-UHFFFAOYSA-N 300.273 5.118 30 10 DKEE C=C([C@@H](NCC)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2349829125 HOUHRAHEAKMAOT-CQSZACIVSA-N 304.236 5.385 30 10 DKEE C=CCCCCCC[C@@H](N)c1c(Cl)cc(C)cc1Cl 2353057591 VYCSQFAIEZWAKD-OAHLLOKOSA-N 300.273 5.828 30 10 DKEE CCCCCCCCCOc1cc(Cl)c(F)cc1CO 2362378925 JYKYJEVUUCVATG-UHFFFAOYSA-N 302.817 5.101 30 10 DKEE C=CCC(CC=C)[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2364086554 MHMYQGLEWJMWBF-AWEZNQCLSA-N 304.739 5.161 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H]1COCCCCCCCCCS 2369125950 GWXCSMXGCWFCKK-DLBZAZTESA-N 300.552 5.736 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1c(Cl)ccc(Cl)c1F 2370481481 FAIDCXZFSILKEI-HNNXBMFYSA-N 318.263 5.776 30 10 DKEE C/C(=C\C(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1F 91692219 UGJLOMGVNWYELX-PKNBQFBNSA-N 308.274 5.131 30 10 DKEE SCCCCCCCCCOc1ccc(Cl)c(Cl)c1 97799808 JKPFEJQBZJZKOK-UHFFFAOYSA-N 321.313 6.033 30 10 DKEE SCCCCCCCCCSc1ccc2c(c1)CCC2 97800084 AFQXDDBLGVVETC-UHFFFAOYSA-N 308.556 5.928 30 10 DKEE CCCCCCCc1ccc(/C=C\c2nc(CCC)no2)cc1 100165804 BINCNRZHCBGGPC-NXVVXOECSA-N 312.457 5.705 30 10 DKEE CCCCCCCNC(=O)CC(c1ccccc1)c1ccccc1 104592520 YMQFTBREKHESMQ-UHFFFAOYSA-N 323.480 5.295 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 110354802 LFHDOFGQOIHNJI-HEHGZKQESA-N 307.890 5.787 30 10 DKEE CCCCCCCCC[C@H](NCC)c1sccc1Cl 126782287 MEVSEBSBNJDSCQ-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE CCCCCCCCCCOc1cccc(Cl)c1C(=O)O 128011774 IQLRFCJELHYNAU-UHFFFAOYSA-N 312.837 5.558 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Cl)c(Br)c1 135363748 ZBUYRPRDXYFIOK-AWEZNQCLSA-N 318.686 5.463 30 10 DKEE CSc1cccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1C#N 136699709 MHBYRWROCNPFEV-JKIFEVAISA-N 303.471 5.120 30 10 DKEE CCCCCCCCCCCCCCCC(=O)CSC 139471636 JKDLOSLVPVZYSX-UHFFFAOYSA-N 300.552 6.400 30 10 DKEE C(=Nc1ccc(Nc2ccccc2)cc1)c1cccc2ccccc12 254379395 WRLQQQYBICLMHP-UHFFFAOYSA-N 322.411 6.334 30 10 DKEE FC(F)Oc1ccc(C=Nc2ccccc2-c2ccccc2)cc1 254764370 OIAFOEVYYFCNLL-UHFFFAOYSA-N 323.342 5.706 30 10 DKEE O=[N+]([O-])c1cccc(/C=N\[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)c1 254812623 PLBLXJMHUYUZIW-GGLWMIRMSA-N 324.424 5.073 30 10 DKEE CCCCCCCCCCCC(=NO)c1ccc(C(C)C)cc1 254870791 CZLICZRGXKLIBS-UHFFFAOYSA-N 317.517 6.909 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)C[C@H](CS)c1ccccc1 395707813 OREMMRFNJKZNPJ-FXAWDEMLSA-N 313.510 5.001 30 10 DKEE N#CC1(CNc2c(Cl)cc(Cl)cc2Cl)CCCC1 405152521 GMGHQAVFADDNTP-UHFFFAOYSA-N 303.620 5.143 30 10 DKEE CCCCCCCCCC[C@@](C)(O)COCc1ccccc1 699391741 MSJLDTMGDLIOBY-HXUWFJFHSA-N 306.490 5.485 30 10 DKEE C=C1CCC(CNCc2ccc(OCc3ccccc3)cc2)CC1 724571799 UYBMMJCAHSRXGS-UHFFFAOYSA-N 321.464 5.102 30 10 DKEE N#Cc1cc(SC(F)(F)F)c2sc(C(F)F)cc2c1 725291611 VBMTVYRYWAKIGB-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CCCCCCC[C@]1(O)CCCC[C@@H]1OCc1ccccc1 1959253097 PUUBYUOKBFLUDT-PMACEKPBSA-N 304.474 5.237 30 10 DKEE CCCC#CC[C@H](NCC)c1ccc(OCc2ccccc2)cc1 2024350609 BJERONFAPFEGPF-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(Br)c(C)s1 2026065767 XPBHTRIOLROSNY-CYBMUJFWSA-N 317.292 5.379 30 10 DKEE Cc1c(Cl)cc(C[C@]2(C#N)CC=CCC2)cc1Br 2048639910 JTPWTXLJVTUZIJ-HNNXBMFYSA-N 324.649 5.204 30 10 DKEE CCCCCC#CCNc1ccc(Br)cc1CC 2083410174 HVJDJZOZNYODBF-UHFFFAOYSA-N 308.263 5.007 30 10 DKEE CCCCCCC[C@]1(C)Nc2cc(Cl)cc(Cl)c2O1 2088187144 URLRPLIWMSBYSZ-OAHLLOKOSA-N 302.245 5.874 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCCC(C)(C)C2)c1Br 2112241283 BLEMEGSECWZGLI-QGZVFWFLSA-N 320.274 5.410 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2122686702 SQAMUDQOHPOWLV-GFCCVEGCSA-N 312.162 5.152 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H](O)c1cc(Cl)cs1 2148601982 QCTIVBHOJNDPFT-GOEBONIOSA-N 317.926 5.164 30 10 DKEE CCCN[C@H](C#Cc1ccccc1)c1cc(Cl)c(Cl)s1 2156103465 IFPVQVRXAHMKHH-CQSZACIVSA-N 324.276 5.147 30 10 DKEE CC(C)Sc1ccccc1Nc1ccc(C#N)c(Cl)c1 2158459028 WLBCUTQGOOPNBZ-UHFFFAOYSA-N 302.830 5.456 30 10 DKEE C#CCCCCC[C@H](NCC)c1cc(C(F)(F)F)cs1 2164258620 WOFBILUJXZYADN-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C=CC1(n2c(S)nc3ccc(Cl)c(C)c32)CCCCC1 2178139624 JHULWOZWZUSXCJ-UHFFFAOYSA-N 306.862 5.132 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccsc1C(F)(F)F 2235542896 XKTLLFSRERPJSJ-ZDUSSCGKSA-N 305.409 5.683 30 10 DKEE CC1(C)CC[C@@H]([C@@H](C#N)c2ccc(Br)c(F)c2)C1 2259029031 ASBAGRLBYDMFFO-NEPJUHHUSA-N 310.210 5.022 30 10 DKEE C=CC1(C[C@H](O)c2cc(Br)cc(C(C)C)c2)CCC1 2266005678 NWXFETKTDRBLNB-INIZCTEOSA-N 323.274 5.352 30 10 DKEE C=CCCCCCCCSC[C@@H](NCCC)C1(Cl)CC1 2287193145 HNYXEURRHRPMIR-MRXNPFEDSA-N 317.970 5.386 30 10 DKEE CC(C)(C#N)CCCCSCC1(C)CC(C(F)(F)F)C1 2287330475 BKZFBPZKAMSHTJ-UHFFFAOYSA-N 307.425 5.418 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](SCC2(C)CC(C(F)(F)F)C2)C1 2287330623 BUPCYXOCMOZLBB-NFMDPKQHSA-N 305.409 5.027 30 10 DKEE C=CCCCCCCC[C@H](O)c1cnc(C(C)(F)F)s1 2289250985 IIPNEIUQPXMOQD-LBPRGKRZSA-N 303.418 5.205 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1SCc1ccc(Br)cc1 2318735881 ZEUUTVXNDKRTOQ-HIFRSBDPSA-N 324.287 5.155 30 10 DKEE C=CCCSc1cc(Cl)c(F)cc1CN[C@H](C)CC 2337282909 JHVTYRWYBSANRX-LLVKDONJSA-N 301.858 5.035 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccccc1Br 2344342941 MIGNQCCDCYQRNP-SJORKVTESA-N 324.306 5.482 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 2349848652 VPGOGEJMTZPYRS-SECBINFHSA-N 301.188 5.452 30 10 DKEE C=CC[C@H](C)Sc1ccc([C@H](C)NC)c(C(F)(F)F)c1 2360370447 DYQGYERAJSKUQG-QWRGUYRKSA-N 303.393 5.043 30 10 DKEE C=CCC(CC=C)Nc1ccc(OC(F)(F)F)c(Cl)c1 2364005375 UOLALUFAQMCVRV-UHFFFAOYSA-N 305.727 5.171 30 10 DKEE C=CCCCCC[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2366399935 SQUAWVIRZVHUFQ-OAHLLOKOSA-N 318.263 5.920 30 10 DKEE CS/C(=N\C#N)Sc1ccccc1Oc1ccccc1C 15443589 XKCBHDSXMDIWLP-FBMGVBCBSA-N 314.435 5.080 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(Sc2ccccc2)cc1 17302080 CJVANMWRURUBSY-WJDWOHSUSA-N 316.425 5.734 30 10 DKEE N#Cc1cc(Nc2ccc(Cl)cc2Cl)nc2ccccc12 68771899 VADOIWVOKSANEH-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCC(CS)(CCC)Cn1cnc2cc(C)c(C)cc21 94586526 AADQFJQPSBKMCR-UHFFFAOYSA-N 304.503 5.170 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(F)c(F)c(F)c1 109730234 YNNYNHMYHGILQK-MRXNPFEDSA-N 301.396 5.505 30 10 DKEE Cc1cc(Oc2cc(Br)ccc2C#N)ccc1Cl 123467619 FCEZEMYIWXDJAC-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC[C@H](CSc1cccc(Cl)c1)NN 126979741 XXKYVXMPLKMUPI-OAHLLOKOSA-N 314.926 5.015 30 10 DKEE CCCCCCCCCC[S@@](=O)c1cc(Cl)ccc1N 165238790 MHDDXOUPWQJSGN-FQEVSTJZSA-N 315.910 5.171 30 10 DKEE C=CCC[C@H](C)Nc1ccc(Br)c2ccccc12 228827374 KBWDKIJQBXJJTJ-LBPRGKRZSA-N 304.231 5.369 30 10 DKEE CCCCCCCC[C@@H](Cc1cccc(Cl)c1Cl)NN 229014525 NBWFMUPCFMCYCY-AWEZNQCLSA-N 317.304 5.118 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Br)ccc1F 229267300 RYGAMIAKTPGBHH-OAHLLOKOSA-N 316.258 5.209 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(Cl)c(Cl)c1 387466220 SMFOAJZFIKWTEY-CYBMUJFWSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1 388500587 JKGUEGKZEOTMOQ-ZDUSSCGKSA-N 300.273 5.781 30 10 DKEE N#Cc1c(Cl)cccc1Nc1cccc(SC(F)F)c1 690180450 POCPNLGQYWPVPL-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CCCCCCCCCCn1ccc(=O)c(OCCCC)c1 1860774755 NGEYHYQKVYVHRG-UHFFFAOYSA-N 307.478 5.168 30 10 DKEE CC(C)CN(Cc1ccccc1)C[C@@](C)(CS)C(C)(C)C 1893597495 RERLJRZMBLWVTI-IBGZPJMESA-N 307.547 5.127 30 10 DKEE C[C@@H]1CCC[C@@]1(C#N)Cc1sc(Cl)cc1Br 1903678848 NNHNUZOERVXYLC-PELKAZGASA-N 318.667 5.036 30 10 DKEE CCCCCCCCCOCC(C)(C)NCc1ccccc1 1915837594 URXQYYYUGQWDIL-UHFFFAOYSA-N 305.506 5.322 30 10 DKEE CCCCCCC[C@@](C)(O)C(=O)c1ccc(Cl)cc1Cl 1919413584 BGPKUXKIPKCDRP-MRXNPFEDSA-N 317.256 5.288 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1ccc(Cl)cc1Cl 1919526364 SHNMWCFFZKNDDU-MRXNPFEDSA-N 302.289 5.614 30 10 DKEE C=CCC[C@@H](C)Nc1cccc([C@H](C)NC(=O)OC(C)(C)C)c1 1925146132 UHWIVUXKMSCKEU-CABCVRRESA-N 318.461 5.039 30 10 DKEE C=CCCC[C@H](NCC)c1cscc1OCc1ccccc1 1934839355 QZCPWKXQXDMNKD-SFHVURJKSA-N 315.482 5.334 30 10 DKEE CC1(C)CCC[C@](C=O)(CCCOCc2ccccc2)CC1 1935231988 ZFSFLTKQEMSQHA-FQEVSTJZSA-N 302.458 5.159 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2ccsc2Br)CC1 2010761607 CPOZOPTWQDBBPQ-JTQLQIEISA-N 313.260 5.076 30 10 DKEE FC(F)c1ccc(C(F)(F)F)c(Cl)c1OC(F)(F)F 2054963733 YUTVZFVUWLUBMI-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1cc(Cl)sc1Cl 2092187457 FKFBYDQRQMEKMI-YPMHNXCESA-N 324.317 5.166 30 10 DKEE CCCCCCCCC[C@@H](NC)c1scc(Cl)c1Cl 2096222335 SQVQYLXZZZJCSP-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE C#CCCCC[C@H](NCC)c1cc(-c2cccs2)cs1 2173495805 WSUTWFZAGZPTNO-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE Cc1cc2sc(C(=O)C3=CC[C@H](C(C)C)CC3)cc2s1 2181644532 KOUMHOJVNOHKIP-LBPRGKRZSA-N 304.480 5.836 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1c(Cl)cccc1Cl)C1CC1 2196858420 NMLMLCUIOARWCG-BBRMVZONSA-N 310.268 5.084 30 10 DKEE C#CC[C@H](CC(=O)c1ccc(-c2cccs2)s1)C1CC1 2205873991 JRJNVUMSCSEDJZ-CYBMUJFWSA-N 300.448 5.099 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1ccc(Cl)cc1Cl 2206893682 CFBWNPZOKCHCFU-MRXNPFEDSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCCC[S@](=N)(=O)CC(C)(C)C(C)C 2207374452 CALHOKDHOFENDM-FQEVSTJZSA-N 301.540 5.632 30 10 DKEE CCC(=CC(=O)c1sc(C)c(C)c1Br)CC 2211916108 BGMCXYKYUQJHKQ-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE C=C1CC(C#N)(Cc2c(Br)sc3ccccc23)C1 2217953057 BUJRXIXMMXCTHB-UHFFFAOYSA-N 318.239 5.066 30 10 DKEE C=CCCCCCCC[C@@H](C[C@@H](C)P(C)(C)=O)NCC 2235537891 FSMFWNKHALPRHO-SJORKVTESA-N 301.455 5.283 30 10 DKEE C=CCCCCCCC[S@](=N)(=O)C1CCC(F)(F)CC1 2235767989 BAFHOCRNXIRSLG-FQEVSTJZSA-N 307.450 5.138 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@@H](SC)C1CC1 2236677904 PISGXHNNEAGIPL-MSOLQXFVSA-N 300.552 5.800 30 10 DKEE Cc1cc(Oc2c(Br)cccc2C#N)ccc1Cl 2257492546 LDNNLLRCXMIUQO-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCCCCSc1ccc(F)c(Cl)c1CO 2287189188 KMIHYYVECVINLQ-UHFFFAOYSA-N 316.869 5.590 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1c(Cl)cccc1Cl 2289680599 HAHJSRILYAGYFB-INIZCTEOSA-N 310.268 5.228 30 10 DKEE C=CCC[C@H](C)[C@@H](OCCCN)c1cc(Cl)cc(Cl)c1 2293143085 VUKBHVGUQXARIH-BLLLJJGKSA-N 316.272 5.002 30 10 DKEE C=C([C@@H](OCCCN)c1cc(Cl)ccc1Cl)C(C)(C)C 2293347071 AUWGFSNYBWSOIE-OAHLLOKOSA-N 316.272 5.002 30 10 DKEE CC(=NOCc1ccc(Cl)cc1)c1ccc(C(C)C)cc1 2330453991 KKLQCNJXUSOGRJ-UHFFFAOYSA-N 301.817 5.404 30 10 DKEE Cc1c(Cl)ccc([C@H](C)C2(C=O)CCSCC2)c1Cl 2353214943 XTNAQWVSCIUSMB-NSHDSACASA-N 317.281 5.118 30 10 DKEE Cc1ccccc1N[C@@H](C#N)c1ccc(Cl)c(Cl)c1C 2366020489 TXVUGUJHYOQYQV-HNNXBMFYSA-N 305.208 5.287 30 10 DKEE Cc1cccc(N[C@@H](C#N)c2ccc(Cl)c(Cl)c2C)c1 2366090374 SMWDJNFNVTYWKJ-HNNXBMFYSA-N 305.208 5.287 30 10 DKEE CCCC[C@@](C#N)(CC)CCCc1cc(Cl)cc(Cl)c1 2366900800 RBNGRMBHVLETEP-KRWDZBQOSA-N 312.284 6.426 30 10 DKEE C=C[C@@](C)(CCCc1cc(Cl)cc(Cl)c1)CNCCC 2366907154 YFDXZIQEAJFIJS-KRWDZBQOSA-N 314.300 5.508 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2370533583 KGILUULZVWTHLF-ZIAGYGMSSA-N 305.771 5.351 30 10 DKEE Cc1ccc([C@@H](C#N)CCOc2cccc3ccccc23)cc1 57684727 VXPGBBRJCPTYQF-LJQANCHMSA-N 301.389 5.225 30 10 DKEE Cc1cccc(/C=N/c2ccccc2/N=C/c2cccc(C)c2)c1 59518707 JTZJJEVECPFRIQ-DFEHQXHXSA-N 312.416 5.805 30 10 DKEE COc1ccc(/C=C/C(=O)c2ccc(SC(C)C)cc2)cc1 83193102 SWKILONIYSEVTC-AWNIVKPZSA-N 312.434 5.092 30 10 DKEE Cc1ccc(Cl)cc1Oc1ccc(C#N)c(C(F)(F)F)c1 88729830 UNHQCYIYCQKFSG-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCCCCCCCCCCCSC[n+]1cccc(C)c1 95891149 VIZWHLMBMXCMLN-UHFFFAOYSA-N 308.555 5.894 30 10 DKEE CCCCN(CCCCCCCCCS)c1ccccc1 97799466 OBTSOPIQXHTZPQ-UHFFFAOYSA-N 307.547 5.954 30 10 DKEE CCCCCCCCNc1cc(C(F)(F)F)ccc1Cl 109748162 IKRBVOXCTXBBDP-UHFFFAOYSA-N 307.787 6.131 30 10 DKEE CCCCCCCCC(=O)c1cc(C(F)(F)F)ccc1F 125028440 BLMHSQPORBBOJC-UHFFFAOYSA-N 304.327 5.778 30 10 DKEE O=C(C1=CCCCC1)c1ccc2cc(Br)ccc2c1 134980815 JBEKVKDHQGCVNJ-UHFFFAOYSA-N 315.210 5.285 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1ccsc1Cl 312537881 IELKWBAMXVBMQI-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](C)c2ccc(Br)cc2)C1 394060958 XZQGQCZTAUWJNZ-CPUCHLNUSA-N 320.274 5.663 30 10 DKEE Cc1ccsc1C=Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 1084340427 LRZFVOGVNUXBGE-UHFFFAOYSA-N 322.389 5.382 30 10 DKEE C=CCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1Cl 1874616162 LUPQZUSEPGONIN-UXBLZVDNSA-N 312.796 5.109 30 10 DKEE C=CCC[C@H](O)c1ccc(-c2ccccc2Br)s1 1919696525 AMRQWNAWIGMFJP-ZDUSSCGKSA-N 323.255 5.177 30 10 DKEE C#CCCCCC[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1919699203 YKOQIPOIAPRVFJ-JOCHJYFZSA-N 322.448 5.057 30 10 DKEE CCCCCCCCCC[C@@](C)(N)c1csc(Cl)c1 1920172284 VEJAAPCLBTYRFG-MRXNPFEDSA-N 301.927 6.106 30 10 DKEE N#CC1(CN(Cc2ccccc2)Cc2cccs2)CCCCC1 1979309248 DNGAVOPYTAHUDJ-UHFFFAOYSA-N 324.493 5.224 30 10 DKEE CCCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 1995348846 DTJBOZYUNTWSFF-IAGOWNOFSA-N 324.509 5.665 30 10 DKEE C=CCCCCCCOc1cc(Cl)cc(Br)c1 2026016522 FALCEINEQUQPMR-UHFFFAOYSA-N 317.654 5.618 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(Cl)sc2Cl)C1 2074835775 VTTPAISYOIJGTH-QMTHXVAHSA-N 302.270 5.708 30 10 DKEE C=CC1(C[C@](C)(O)c2cc(Cl)cc(Cl)c2F)CCC1 2111719262 CAURJBAVZKPKAC-AWEZNQCLSA-N 303.204 5.086 30 10 DKEE C#CCCCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2116870402 KFWIAKKDNPFOFF-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H](O)c1ccsc1Cl 2148600621 LMDVOMAAGQRJTC-CABCVRRESA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccc(SC)s1 2149699560 WGSNVNZTBCGERF-HNNXBMFYSA-N 313.576 6.261 30 10 DKEE CCCCCCCCCCCCSc1nnc(CN)s1 2188243358 BZRQAPPNCLGHHT-UHFFFAOYSA-N 315.552 5.010 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cscc1C(F)F 2207395804 HBGGSRMCNXHLDD-OAHLLOKOSA-N 302.430 6.026 30 10 DKEE C=CCCCCCCCNc1ccc(F)c(Br)c1 2220092796 NTECKXLPSQBDLK-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2220131607 RNJTZMNLLVMMTJ-ZDUSSCGKSA-N 306.664 5.654 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc2sc(C)cc2s1 2235520093 WJFVLCORYRLTTM-AWEZNQCLSA-N 308.512 6.221 30 10 DKEE C=C(F)C[C@@H](NCCC)c1sc(Br)c(C)c1C 2247230381 HKJILJSXDOXCNG-LLVKDONJSA-N 320.271 5.041 30 10 DKEE Clc1cc(Cl)c(NCC#CC2CCCC2)c(Cl)c1 2261108051 ZWXXZURSJQFLQL-UHFFFAOYSA-N 302.632 5.252 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2270994091 UTLVJYHNNCUMBH-INIZCTEOSA-N 300.273 5.699 30 10 DKEE C=CCC(CC=C)Cc1ccc(Cl)c(Br)c1F 2301044478 RCIKXQLUQKHCAJ-UHFFFAOYSA-N 317.629 5.553 30 10 DKEE C=CCC(CC=C)[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 2301063734 WVSOZBOYKYTWIE-JOCHJYFZSA-N 321.464 5.208 30 10 DKEE CC1(C)CC=C(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 2340794000 LKYVXVXTZYIMCN-UHFFFAOYSA-N 301.188 5.452 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1c(Cl)ccc(Cl)c1F 2344359748 ZJGSIRLDESKDPN-CQSZACIVSA-N 304.236 5.385 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2366409394 UTPJOYZCUBSYLS-INIZCTEOSA-N 316.247 5.552 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 2368151163 ZFEBLBOTUXMQOK-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C[C@@H]1NC=Nc2c1cc(-c1ccccc1)c(-c1ccccc1)c2C#N 27867630 KRAANSPQXQFPDR-HNNXBMFYSA-N 323.399 5.216 30 10 DKEE Cc1cccc2nc(-c3ccc(-c4ccccc4)cc3)c(CC#N)n12 31921687 LWZGYPBGVIAHLY-UHFFFAOYSA-N 323.399 5.043 30 10 DKEE CC(C)[C@H]1CC[C@@H](C)/C(=C\c2ccc(Br)cc2)C1=O 32625381 XXWIKUUTIWHVPA-RSNVIFKDSA-N 321.258 5.104 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1Cl)c1ccccc1Cl 44268507 IJASLYVOVXZXMF-NSHDSACASA-N 324.594 5.137 30 10 DKEE CCCCCCCNCc1ccc(OCCCCC)c(OC)c1 100126151 LNBQAKFUYSZOEQ-UHFFFAOYSA-N 321.505 5.324 30 10 DKEE CCCCCCC[C@](CC)(CCCC)[C@H](C#N)C(=O)OCC 100286125 WCNMOCUDNHOEHP-MJGOQNOKSA-N 309.494 5.636 30 10 DKEE CCCCCCCCCCCCn1c(=O)sc2ccccc21 101081367 LWNSQWKRQRCOKT-UHFFFAOYSA-N 319.514 5.984 30 10 DKEE CCCCCCC[C@H](CNC(C)C)Cc1ccc(Cl)cc1 111890199 DSDPDCACWSAFMC-SFHVURJKSA-N 309.925 5.857 30 10 DKEE CCCCCCCCCC[C@@H](Cc1ccccc1Cl)NN 125878104 VVBRQHRVNSVQKY-KRWDZBQOSA-N 310.913 5.245 30 10 DKEE CCCCCCC[C@H](Cc1cc(F)ccc1Cl)NCCC 126598306 GJPRLXVUQZUYJP-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE Cc1cc(Cl)c(N[C@H](C)c2cccc(C#N)c2)cc1Cl 128037240 QFLGIZKXCMBAQW-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCOc1ccc([N+](=O)[O-])c(Cl)c1 133565954 BEDCURDGJZQPRT-UHFFFAOYSA-N 313.825 5.768 30 10 DKEE CCSc1cccc(Nc2cccc(SC)c2)c1C#N 136605079 VGKFHKQQTOFFQJ-UHFFFAOYSA-N 300.452 5.136 30 10 DKEE O=C(/C=C\c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 199634241 ITOPRUNXNYEDGQ-NVNXTCNLSA-N 318.803 5.903 30 10 DKEE N#C[C@@H](CSc1ccc(Cl)c(Cl)c1)C1CCCCC1 397121522 INEKLFHPWIIHLC-LBPRGKRZSA-N 314.281 5.806 30 10 DKEE Cc1ccc(Br)c(Oc2ccc(C#N)cc2Cl)c1 704132525 ZNNPJQXVXMOSED-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE COc1ccc(C=Nc2ccc3ccccc3c2)c2ccccc12 1083953824 KTSRJUUXPPWQFL-UHFFFAOYSA-N 311.384 5.752 30 10 DKEE CC1(C)OB([C@H]2C[C@@H]2c2cc(Cl)c(Cl)s2)OC1(C)C 1882184435 KOYGOBQQKUZNCO-YUMQZZPRSA-N 319.062 5.005 30 10 DKEE CCC[C@@H](CS)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1931998153 IAGXSIZAUIMPAO-FUHWJXTLSA-N 307.547 5.269 30 10 DKEE CC(C)(C)N(CCCCCCCCCS)Cc1ccccc1 1932005941 UMAOCRHJVLLLJA-UHFFFAOYSA-N 321.574 5.948 30 10 DKEE C=C([C@H](NCC)c1cc(C)c(Br)s1)C(C)(C)C 1947436492 NLKYPAJHALXYCB-LBPRGKRZSA-N 316.308 5.072 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1cc(Cl)sc1Cl 2046001961 HQCCPEMAKQCMHP-AAEUAGOBSA-N 306.258 5.198 30 10 DKEE CCCCCCC[C@@H](N)c1c(F)cc(C)cc1Br 2053173315 DJNYJQRGMWINRN-CQSZACIVSA-N 316.258 5.257 30 10 DKEE C=CCCCCCC[C@H](O)c1c(C)cccc1Br 2085852952 XQVPAFBNYMUGCT-HNNXBMFYSA-N 311.263 5.318 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ncc(Cl)s1 2107919375 LUJFKCOVIXJYAW-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1ccsc1Cl 2142446628 CVTBHASLFKKCEN-HNNXBMFYSA-N 300.895 6.132 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H](O)c1cscc1Cl 2148604689 YYPAEIXNXWXUBR-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C=CCCCCOc1c(Cl)cc(Cl)cc1C[C@@H](N)CC 2179683571 VVDMTSIIKJEHHI-AWEZNQCLSA-N 316.272 5.008 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 2181672802 ZYMHSUUJWCUEAW-CYBMUJFWSA-N 311.252 5.488 30 10 DKEE CCCCC[C@@H](CC)N(C)CC(CS)(CCC)CCC 2193696568 RIYHVMJUJYGIBN-QGZVFWFLSA-N 301.584 5.794 30 10 DKEE C#CC[C@H](CC(=O)c1cc(-c2cccs2)cs1)C1CC1 2196826535 KTSJIPRSUIFVEK-CYBMUJFWSA-N 300.448 5.099 30 10 DKEE C=CCCCCCCCNc1ccc(Br)cc1F 2220092703 NJOBCTOOWSLFJS-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 2224318548 XNHOYQJOAXGRTB-UHFFFAOYSA-N 321.675 6.580 30 10 DKEE C=CCCCCCCCNc1cc(Cl)c(F)c(Cl)c1 2227267068 BYFGGQZGVNIZGP-UHFFFAOYSA-N 304.236 6.071 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1sccc1Cl 2240642682 PHNBWCBJVIOQJU-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE C=C(C)CCCCNc1c(Cl)cc(F)cc1Br 2250162445 YTBXRBAVSRHLOY-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE C=C(CC)C[C@@H](OCCN)c1c(Cl)ccc(Cl)c1Cl 2276878057 PVKUUKKSMXBZEK-GFCCVEGCSA-N 322.663 5.020 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](SC[C@H]2CCCCC2(F)F)C1 2283105927 CDNFSECKSHVAPG-TUVASFSCSA-N 301.446 5.264 30 10 DKEE C=CCCCSc1ccc(F)c(Cl)c1CN[C@@H](C)CC 2287197982 HZJANLGNSJZQKM-LBPRGKRZSA-N 315.885 5.426 30 10 DKEE CCCCCCCC[C@H](OCCCN)c1cc(Cl)cs1 2292768585 LPQVXPCKSOASPC-HNNXBMFYSA-N 317.926 5.559 30 10 DKEE O=C(C=CNc1ccc(Nc2ccccc2)cc1)c1cccs1 2297368797 DJCMGPPQPQFVRT-UHFFFAOYSA-N 320.417 5.300 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 2297630562 PYBSYYGVGHYLDR-UHFFFAOYSA-N 302.348 5.389 30 10 DKEE C=CC[C@@H]1CCC[C@H]1NC(c1cccs1)c1cccs1 2362236675 QBIYNIKVXDYYOF-ZIAGYGMSSA-N 303.496 5.233 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2370483417 TYLNSUTUAWSICL-SJORKVTESA-N 314.300 5.506 30 10 DKEE C/C=C/CC/N=C/c1cc(Cl)ccc1NC(=O)OC(C)(C)C 36462756 BCTTWRVOCFROTR-AIPJJBHZSA-N 322.836 5.072 30 10 DKEE COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(C)cc1 83193730 CAIMEVVKJSUBOW-BQYQJAHWSA-N 321.203 5.207 30 10 DKEE Cc1oc(C)c(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1C 87199347 JXTMLAFTNKOYTI-NSHDSACASA-N 322.191 5.002 30 10 DKEE CCCCCCC[C@@H](CN)N(C)[C@@H](C)c1ccccc1Cl 110026881 RGNVRUIEKJNYNG-HOTGVXAUSA-N 310.913 5.021 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1c(Cl)cccc1C(F)(F)F 110159716 DZXSGIFPTBZMEJ-GWCFXTLKSA-N 316.754 5.243 30 10 DKEE CCC[C@H]1CC[C@H](C#N)[C@H](N(Cc2cccs2)C(C)C)C1 110264254 SUGACOSGUKFIRI-LZLYRXPVSA-N 304.503 5.067 30 10 DKEE CCCCCCCCCCCC[C@@H](CSCCC)NCC 115644514 HRVMDFKAUABNFB-IBGZPJMESA-N 315.611 6.419 30 10 DKEE CCCCCCCCC[C@H](NC)c1csc2ccccc12 115856450 QTDIAVDDEIQFDD-SFHVURJKSA-N 303.515 6.303 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc2ccccc2s1 122220325 BPUAIUPRCNNDTB-MRXNPFEDSA-N 304.503 5.546 30 10 DKEE Cc1cc(C)c(C)c(Oc2cc(Br)ccc2C#N)c1 123469687 XZCUFTLDDZLVCA-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE N#Cc1c(Cl)cccc1OCc1c(Cl)cccc1Cl 128938881 GBOROPOKGOTREX-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1cc2c(s1)CCCC2 129380886 IOBYDHBXBWXYAG-NSHDSACASA-N 316.857 5.325 30 10 DKEE CCCCCCCCCCn1c(S)nc2c(F)cccc21 129436560 ILZGRVUHCNYVSG-UHFFFAOYSA-N 308.466 5.605 30 10 DKEE CCCCCCCCNc1cc(C)nc(-c2cccc(C)c2)n1 202460462 POTIEJGHLRNRQN-UHFFFAOYSA-N 311.473 5.533 30 10 DKEE CCCCCCCC[C@@H](O)Cc1cccc(Cl)c1Cl 229001122 FVKYUDGHLJISBT-CQSZACIVSA-N 303.273 5.647 30 10 DKEE N#Cc1cc(F)c(Sc2ccc(Cl)cc2Cl)c(F)c1 322769047 HUXCQJPRJAITCT-UHFFFAOYSA-N 316.159 5.294 30 10 DKEE C=CCN1/C(=N/c2cccc(C)c2)S[CH][C@@H]1c1ccccc1 1615006956 CHDPXDSXTDSGNP-PXBNPBHZSA-N 307.442 5.120 30 10 DKEE C=CC[C@H](CC)N[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1935986932 NNGNOFFPYNATPE-HOCLYGCPSA-N 318.461 5.039 30 10 DKEE C=C(Br)CCOC1CC2(CCC(C)(C)CC2)C1 2017967470 HPEFTYUQMDFGAA-UHFFFAOYSA-N 301.268 5.051 30 10 DKEE C=CCCCCCCC(=O)c1c(F)cccc1Br 2085849253 JITCUBKSMXSUMD-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE CCCCCCCC[C@@H]1Nc2cccc(Br)c2O1 2086286500 JOFSWRRAWWLJMS-CQSZACIVSA-N 312.251 5.330 30 10 DKEE CCC[C@]1(C)CSC(=Nc2cc(Cl)c(F)c(Cl)c2)N1 2090411144 FXOQZIAMHHDLBI-CYBMUJFWSA-N 321.248 5.015 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(C)c(Br)c(C)c2)CC1 2125222949 LASMKIKPBBOMPA-ZDUSSCGKSA-N 321.258 5.385 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1OC 2138638611 CEUBLYAUOXMUMO-CYBMUJFWSA-N 305.245 5.396 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1SCc1ccc(Cl)o1 2145641318 FPJRIHLIXONINU-UHFFFAOYSA-N 317.719 5.116 30 10 DKEE CCCCCCCCC[C@H](O)[C@H](NC)c1ccsc1Cl 2147450179 LBMBPFLUXFUJGC-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE C=C([C@H](NCCC)[C@@H]1CCCCC(F)(F)C1)[Si](C)(C)C 2168912421 CZJANXHNUXDPMN-CABCVRRESA-N 303.513 5.004 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1ncc(Cl)cc1Cl 2196170051 RNADDKZNROHQNH-OAHLLOKOSA-N 313.272 5.013 30 10 DKEE C#CCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203978149 PONGYMWLIOBCFD-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCCNCc1cc2sccc2s1 2207397295 RYRWCKCVNUCHTM-UHFFFAOYSA-N 307.528 5.969 30 10 DKEE C=CCCCCCCC[C@@]1(C#N)CCCN1C(=O)OC(C)(C)C 2211143479 QLYCTPIHTQTXAX-IBGZPJMESA-N 320.477 5.196 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1cccc(Cl)c1Cl)NCC 2227500389 HNXRKJSCVZRXPE-WFASDCNBSA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@](C)(N)c1nc(C(F)(F)F)cs1 2240616886 XIRUHUCVSJNJAY-ZDUSSCGKSA-N 308.413 5.086 30 10 DKEE CCCCCCCC[C@](C)(O)c1nc(C(C)(F)F)cs1 2240617288 CNZSQCFZGITRHV-AWEZNQCLSA-N 305.434 5.213 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC(C)(C)CCC1(C)C 2245434100 AYERJNHCAJLTQV-LJQANCHMSA-N 322.493 5.131 30 10 DKEE C=C(C)CCCCC(=O)c1cc(F)c(Br)cc1F 2259176541 OQGYWBPAUIYCRC-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE CCCCCCCCC[C@H](C)NCC[C@@H](C)P(C)(C)=O 2295668062 DINNNRWQEUPFFG-DLBZAZTESA-N 303.471 5.507 30 10 DKEE CCCCCCCCCC[C@@H](N)c1sc(Cl)cc1OC 2295770188 BNXGNSYDSZQCBO-CYBMUJFWSA-N 317.926 5.941 30 10 DKEE C[C@@]1(CC#N)CC[C@H](c2c(Cl)ccc(Cl)c2Cl)O1 2317106340 WGZPCZCTBDFCJY-MFKMUULPSA-N 304.604 5.171 30 10 DKEE O=C(C1=CCC(F)(F)CC1)c1cc(F)c(Cl)cc1Cl 2349916277 KVTJHQCWVWVESF-UHFFFAOYSA-N 309.114 5.061 30 10 DKEE Cc1c(Cl)ccc(N[C@@H](C)c2ccc(C#N)cc2)c1Cl 2365696723 YGBDPBXYYMBHKN-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(Cl)c(F)c1F 2370517503 BVSBOACGXJALBH-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE O=[N+]([O-])c1ccccc1NN=C1CCCC[C@@H]1C1CCCCC1 5869366 OOWUMIPCSCAJMD-OAHLLOKOSA-N 315.417 5.133 30 10 DKEE N#Cc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 14460236 NEAKMVZDHXILFH-LZLYRXPVSA-N 306.796 5.038 30 10 DKEE C=C(C)COc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 14551521 NDFLBHLWJXWLDO-WAOWUJCRSA-N 317.432 5.468 30 10 DKEE O=C(/C=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 33406446 ADLBVOVFSLFWKA-CLFYSBASSA-N 314.793 5.558 30 10 DKEE Cc1ccc(N/N=C/c2cccc(Cl)c2Cl)cc1Cl 59153847 CFTIBISNWUJKRA-QGMBQPNBSA-N 313.615 5.401 30 10 DKEE FC(F)(F)c1ccccc1OCC1(CS)CCCCCC1 94583242 WPBBRCXXPUAVJJ-UHFFFAOYSA-N 318.404 5.355 30 10 DKEE SCCCCCCCCCOc1ccc2ccccc2c1 97799674 JVLKRZMURCMRAJ-UHFFFAOYSA-N 302.483 5.879 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccccc1C(C)C 106160928 RJEXQWGPAUANFH-UHFFFAOYSA-N 317.517 6.669 30 10 DKEE CCCCCCCCC[C@H](O)c1ccccc1Br 112886151 QFCPQAPQPCEQMK-INIZCTEOSA-N 313.279 5.623 30 10 DKEE CCCCCCCCC[C@H](CSC1CCCC1)NCCC 115819845 FGXKRNYFCMXFGB-GOSISDBHSA-N 313.595 6.171 30 10 DKEE CCCCCCCCCCC[C@@H](CCc1ccsc1)NN 123175531 RYQFWMGAVMXFFH-SFHVURJKSA-N 310.551 5.434 30 10 DKEE COc1ccc(C#N)c(N[C@@H](C)c2ccc(Cl)cc2Cl)c1 126569902 SZQHDWHHVVPNTM-JTQLQIEISA-N 321.207 5.047 30 10 DKEE CCCCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1 133135825 YKFHTQZZGASHOG-KRWDZBQOSA-N 316.316 6.524 30 10 DKEE C[C@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1Cl 160497234 RMGYOIWRLXGQOQ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCC(=O)c1ccc(Cl)cc1OC 165084600 SQPXCFLGSFVCDX-UHFFFAOYSA-N 310.865 6.062 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 167755493 YBZXMUNQEFCRQK-OAHLLOKOSA-N 303.343 5.242 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(Cl)cc1Br 233599281 YABKWKCVFJIREJ-CQSZACIVSA-N 316.670 5.109 30 10 DKEE SCC1(CSCc2ccccc2Cl)CCCCCC1 236621178 XGIKACMRNFNJLU-UHFFFAOYSA-N 314.947 5.844 30 10 DKEE CC(=Nc1ccc(Cl)cc1C(F)(F)F)c1nc(C)cs1 253495209 KAIYRXGROZGBSW-UHFFFAOYSA-N 318.751 5.264 30 10 DKEE N#Cc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1 257354522 YGLJEWQXTHIOSD-UHFFFAOYSA-N 310.360 5.724 30 10 DKEE CCCCCCCC(=O)c1c(F)ccc(F)c1Br 403996005 ACSBDOLNKAHHEJ-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE CCCCCCCCCCCC[C@H](O)C[C@H]1CCSC1 708786598 MPVHKUZGCBZFHM-MSOLQXFVSA-N 300.552 5.802 30 10 DKEE C[C@H]1CC(C#N)(CCc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 724253080 WVGHSIVUXBVKQQ-RYUDHWBXSA-N 312.240 5.023 30 10 DKEE CC/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(O)cc1 821227290 PUBLMXQDUSBJOC-XUTLUUPISA-N 311.425 5.021 30 10 DKEE CCCCCCCCCCCC(=O)NC[C@@H](C)c1cccnc1 1865984738 DSOJTFFILUHWSR-GOSISDBHSA-N 318.505 5.222 30 10 DKEE C#CCCCCCCC(=O)N(Cc1ccccc1)[C@H](C)C(C)C 1905109955 JVEKEHNKVMJSPA-LJQANCHMSA-N 313.485 5.034 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)C[C@@H](C)CC 1917972216 CTMBEYORBAOTAP-PXNSSMCTSA-N 303.556 6.000 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)CC2CCCC2)C1 1946746915 SPVOCRDSFUJVIR-BVYCBKJFSA-N 324.512 5.397 30 10 DKEE C=CC1(CN[C@H](CC)c2cccc(Br)c2)CCCC1 2132976420 BEAUNNGNGUMDOD-MRXNPFEDSA-N 322.290 5.236 30 10 DKEE CCCCCCCC[C@H](NC)c1c(F)ccc(Cl)c1F 2164157341 QYKXKCIAPMONGX-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE C=CC[C@H](NCCC)c1ccc(-c2ccccc2Cl)s1 2164216038 WFNLLQJWHBAEGU-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C=C1CC(CC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 2182147779 JIONKLAJJLTIQJ-UHFFFAOYSA-N 302.826 5.608 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1nc(Cl)cs1 2207432189 MVHSNWWJZWMYGP-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1scc(C)c1Cl 2207433179 XIGBKSYBQQVIER-AWEZNQCLSA-N 314.926 5.521 30 10 DKEE C=CCCCCCCCCC[C@H](O)[C@@H]1SCCS[C@H]1C 2207441339 HPVAALALRFYNBS-YESZJQIVSA-N 316.576 5.281 30 10 DKEE C=CCCCCCCCC[C@@]1(O)CC[C@H](P(C)(C)=O)C1 2207441962 MNQCOTATZUDMMO-DLBZAZTESA-N 300.423 5.200 30 10 DKEE C=CCC[C@@H](C)NCc1c(Br)sc2ccccc12 2217908783 DRHNEQLCFHOMAQ-LLVKDONJSA-N 324.287 5.108 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1cc(F)cc(Cl)c1 2238007744 VISWCPYSOSCAPQ-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1sc(Cl)cc1Br 2244969577 VEEYKACEVZGZJZ-GZMMTYOYSA-N 322.699 5.027 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(C)ccc1Br 2259239290 MKQSSHXOMZFLOO-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C=CCCCCCCCSC[C@H](O)c1cccc(Cl)c1 2287101362 OFGIVFNNQUZVCE-KRWDZBQOSA-N 312.906 5.633 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](SCC2(C)CC(C(F)(F)F)C2)C1 2287330618 BUPCYXOCMOZLBB-IGYKFCIQSA-N 305.409 5.027 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2289855435 SCQLDCLTDAFECK-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE CC(=O)C=C(C)Nc1cc2c(cc1C)cc(-c1ccccc1)n2C 2296651275 VTHNWHXRGBQBMF-UHFFFAOYSA-N 318.420 5.058 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1occc1Br 2321115882 HVUIUNZMOXITDL-CABCVRRESA-N 314.267 5.075 30 10 DKEE CC(C)(C)[C@](C)(CS)CSc1ccc(Cl)cc1Cl 2327091141 XKPAHJJUHMOAEU-CQSZACIVSA-N 323.354 6.068 30 10 DKEE C=CCC(CC=C)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 2335188893 VAXJWLJVJLFYLD-JTQLQIEISA-N 302.220 5.304 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2339027067 YYTPQFVPNUGDSO-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE SCCCCCCOCCCc1cc(Cl)cc(Cl)c1 2341125523 XKAILRYHBCZYOK-UHFFFAOYSA-N 321.313 5.433 30 10 DKEE C=CC[C@@H](C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2347955267 KEKZXFNNXVQZJA-BMLIUANNSA-N 324.306 5.155 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352390784 YQPWCDOATMLTFN-BONVTDFDSA-N 304.236 5.385 30 10 DKEE C=CCC(CC=C)Sc1ccc(Cl)cc1CNC(C)C 2360370520 FLSXGMMCHJUGKK-UHFFFAOYSA-N 309.906 5.451 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H]1C[C@@H](SC)C1 2360921181 JCQKWZHSFDIAHI-FGTMMUONSA-N 300.552 5.800 30 10 DKEE CCCCCC#CC[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2366416122 XSBHHCPAABUBIA-OAHLLOKOSA-N 316.247 5.367 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(Cl)c(C(F)F)s1 2371304853 BHXURGUHTFRCGS-NSHDSACASA-N 324.868 5.594 30 10 DKEE Cc1ccc(/C=C2/C(=O)c3ccccc3[C@@H]2c2ccccc2)cc1 1383472 DEDMDBCEBICOKW-VAZXNAHHSA-N 310.396 5.407 30 10 DKEE C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C 32296560 YGBZFOQXPOGACY-VWVSFFKRSA-N 302.458 5.372 30 10 DKEE in-vitro COc1ccc(-c2ccc(/C=C\C(=O)c3ccc(C)cc3)o2)cc1 33395606 PKGNJABSYMZMDJ-QBFSEMIESA-N 318.372 5.160 30 10 DKEE CCCCCCC[C@H](CNC1CC1)Cc1cccc(Cl)c1 110520992 XWSQUSNVZFWLDQ-KRWDZBQOSA-N 307.909 5.611 30 10 DKEE C=CCSc1ccccc1NC1CCC2(CCCC2)CC1 129325649 PZWGSYIUTBIAGI-UHFFFAOYSA-N 301.499 5.880 30 10 DKEE N#CC1([C@@H](O)c2cc(Cl)cc(Cl)c2)CCCCCCC1 156813973 WCXARIZGLWHHHD-HNNXBMFYSA-N 312.240 5.281 30 10 DKEE C=CCC[C@@H](NCC)c1ccc2cc(Br)ccc2c1 167771849 LALNAHPUVGPMTA-QGZVFWFLSA-N 318.258 5.219 30 10 DKEE CCCCCCCCCCNC(=O)CCOc1ccc(C)cc1 170561016 JLSRESUTIDKTTN-UHFFFAOYSA-N 319.489 5.021 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccc(Cl)cc2)C1 231383824 BDWAOVGOBGMGHU-INMHGKMJSA-N 321.917 5.928 30 10 DKEE COc1ccc(C=Nc2cccc3ccccc23)c2ccccc12 263629748 FRAXWLHEHUHRCF-UHFFFAOYSA-N 311.384 5.752 30 10 DKEE CC#CCC[C@@H](NCCC)c1ccccc1OCc1ccccc1 310329587 BHHYQXQGGYWNDY-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE CCOc1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cc1 606208034 SWEWDWSNCCNFFQ-YHYXMXQVSA-N 321.203 5.288 30 10 DKEE CCCCCCCCCC(=O)c1ncsc1Br 699082441 OKGJPAGXZUDLAM-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE CCCCCCCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 703723667 OCTLGNGAZWSLDY-NSHDSACASA-N 306.252 5.754 30 10 DKEE C=C1CCC(CC(=O)c2ccc(C)c(Br)c2)CC1 724579629 OOFLCFJARDKFGX-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE CCCCCCCCNC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1 1859454333 ONUQYCXVGVCTJN-QGZVFWFLSA-N 319.489 5.054 30 10 DKEE C=CC[C@@H](C)OC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 1913341608 PBRNDUFPJRFXLH-MLGOLLRUSA-N 316.272 5.015 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1cc(Cl)sc1Cl 1919509781 YKOXXGKATPMMDT-OAHLLOKOSA-N 322.345 6.370 30 10 DKEE C=C([C@H](NCCC)c1ccccc1Br)C(C)(C)C 2035433967 HGCFPCFKHSQDLO-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE C=CCCCCC[C@](C)(N)c1ccc(C)c(Br)c1 2043818965 UQMWAHHCXSCRDG-INIZCTEOSA-N 310.279 5.068 30 10 DKEE FC(F)c1cc(OC(F)(F)F)c(Cl)c(C(F)(F)F)c1 2054946108 KLCGJCBGPXWKCR-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCCCCCCCCC(=O)c1ccc(Br)o1 2086282612 KXFGBWSOELUQKH-UHFFFAOYSA-N 313.235 5.532 30 10 DKEE Cc1cc(Br)cc(C)c1NCC#CC1CCCCC1 2093449632 BYFINIFMTFLMFY-UHFFFAOYSA-N 320.274 5.062 30 10 DKEE C=CCCCCCC[C@H](NN)c1cccc(Cl)c1Cl 2141907720 HSHODBRSRJPHFB-AWEZNQCLSA-N 301.261 5.024 30 10 DKEE CCCCCCCCCCC(=O)[C@H](O)c1cc(Cl)cs1 2147159198 OERWTPNPSUBGLJ-INIZCTEOSA-N 316.894 5.535 30 10 DKEE CCC#CC[C@@H](NCCC)c1cc(-c2cccs2)cs1 2174095383 JQWMQCLVKIENPZ-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc2cscc2s1 2206897395 BCLGWOQOAYLZDR-OAHLLOKOSA-N 307.528 6.140 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1c(Cl)cccc1Cl 2240621990 OLRHTSSVYDFOAN-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE Cc1cc(Br)ccc1SCCCC(C)(C)C#N 2248564781 MYAZRZRLRXWENP-UHFFFAOYSA-N 312.276 5.180 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(Cl)c(Br)c1 2250167216 PTXCDGDNQXXUDH-CQSZACIVSA-N 316.670 5.239 30 10 DKEE CC(C)c1cc(Br)cc([C@H](O)CC#CC(C)(C)C)c1 2265984990 UNBMMJMOKRWLRZ-MRXNPFEDSA-N 323.274 5.046 30 10 DKEE Cc1ccc(C=C2CCCC(=Cc3ccc(C)cc3)C2=O)cc1 2293509340 CETXDHNPPYXEOF-UHFFFAOYSA-N 302.417 5.523 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1cnc(SC)s1 2295667929 CCPPAAZOVCQLCH-CQSZACIVSA-N 314.564 5.484 30 10 DKEE O=C(C=COc1cccc2ccccc12)c1ccc(Cl)cc1 2297535671 IRWSFNZTMMSPMF-UHFFFAOYSA-N 308.764 5.269 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1csc(C)c1Br 2303636239 JACXMYSREXFUTP-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(Cl)c(Cl)c(Cl)c1 2321174705 OAXXHYRJHVFPDC-AWEZNQCLSA-N 305.632 5.822 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345153978 OKMRSDWFEZNEFK-GXSJLCMTSA-N 307.837 5.592 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1NCc1sc2ccccc2c1Cl 2362239516 YHEILDQAZOGNTJ-OCCSQVGLSA-N 305.874 5.389 30 10 DKEE CCCC(CS)(CCC)CN1CCC(F)(F)[C@]1(C)CC 2365843264 RDWWKSUTRPDFKI-AWEZNQCLSA-N 307.494 5.013 30 10 DKEE C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)c(Cl)c1 21061096 LHVKYLKVZPAMRB-LLVKDONJSA-N 321.207 5.069 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154779 KERRRZFZGVVLSS-WOSRLPQWSA-N 307.890 5.787 30 10 DKEE COc1c(C(=O)/C=C/c2ccc(C)cc2)cc(C)cc1C(C)(C)C 83193986 GFFASLYLIDMCGP-VAWYXSNFSA-N 322.448 5.506 30 10 DKEE N#Cc1cc(Nc2c(Cl)cccc2Cl)nc2ccccc12 88170980 DDEAJQNASHIFDT-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCCC[C@H](Cc1ccccc1Cl)C(=O)O 110915815 MJXXWBRTHMPENA-MRXNPFEDSA-N 310.865 5.724 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(C)cc1Br 164150858 RDNDWWNMRJJONK-MRXNPFEDSA-N 313.279 5.542 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 229759507 RXKQAGROTLGNPY-OAHLLOKOSA-N 303.343 5.242 30 10 DKEE CCCCCCC[C@H](C)Nc1cccc(Br)c1C 232225065 XIDFTKQZUZNWDP-ZDUSSCGKSA-N 312.295 5.918 30 10 DKEE C=CCCCCC[C@H](N)c1cc(Cl)ccc1Br 236302587 WZHUFIALINBZEV-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2C)c1 243267190 KWMQQDWCCOXEQG-UHFFFAOYSA-N 308.425 5.085 30 10 DKEE Cc1cccc(CS[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)c1 251066948 MXJYCLZMENEKCI-RCCFBDPRSA-N 301.499 5.583 30 10 DKEE CC1CCC(OC(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 586485754 PEDMTPUGWLGWMW-UHFFFAOYSA-N 320.458 5.044 30 10 DKEE CCCCCCCCCCNCc1ncc(SC)s1 712926357 SWCQKDNOQSISFI-UHFFFAOYSA-N 300.537 5.095 30 10 DKEE CCCCCCCCCNc1cncc(Br)c1C 722707900 BTRIYGJUSZPOTK-UHFFFAOYSA-N 313.283 5.315 30 10 DKEE CCCCCCCCCCCC(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 1616184174 BPJMTDTXCPRWIJ-FHWLQOOXSA-N 305.506 5.236 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 1857936290 FPSXFEQKQKRWSP-KGENOOAVSA-N 315.844 5.578 30 10 DKEE CCCCCCCOc1cccnc1NC(=O)OCCC(C)C 1858701872 KLABYSKCZZTIKD-UHFFFAOYSA-N 322.449 5.025 30 10 DKEE CC(C)=C(CSCC1=CCCCC1)B1OC(C)(C)C(C)(C)O1 1901711133 UHBFDAQJYUWEJI-UHFFFAOYSA-N 322.323 5.188 30 10 DKEE CCCCCCC[C@](C)(O)C[C@@H](C)COCc1ccccc1 1919906365 WLRUKYMJSPEAGE-QUCCMNQESA-N 306.490 5.341 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccccc1CC 1922092204 QLHOUPSVJKWCJM-JOCHJYFZSA-N 323.480 5.063 30 10 DKEE C=C([C@H](NCC)c1cc2c(s1)CCCCC2)[Si](C)(C)C 1922873934 LGTHPCOYACASGE-KRWDZBQOSA-N 307.579 5.101 30 10 DKEE C=CCC[C@@H](C)Nc1cccc([C@H](C)NC(=O)OC(C)(C)C)c1 1925132059 UHWIVUXKMSCKEU-CABCVRRESA-N 318.461 5.039 30 10 DKEE CCCC[C@](C)(C#N)Cc1cc(Cl)ccc1Br 2000511927 FTSBGABRNXXSOP-AWEZNQCLSA-N 314.654 5.365 30 10 DKEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(C2CCCCC2)cc1C#N 2070086780 JTPIXUHUVMPXNV-NRFANRHFSA-N 321.468 5.419 30 10 DKEE C=CCCCCC[S@@](=N)(=O)c1cc(Cl)ccc1Cl 2073737505 AXLRFGGTMLHCSQ-GOSISDBHSA-N 306.258 5.145 30 10 DKEE CCC(CC)(CS)CN(C)Cc1cc2sccc2s1 2140598254 UFSOKFJPWBKJHR-UHFFFAOYSA-N 313.557 5.131 30 10 DKEE CCCC[C@@](C)(C#N)[C@](C)(O)c1cc(Cl)cc(Cl)c1F 2164474387 CGZJGKRWABEFSL-LSDHHAIUSA-N 318.219 5.060 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Cl)c(F)cc1F 2179365878 UUBIECUXIQNVCU-MEDUHNTESA-N 301.808 5.261 30 10 DKEE C#CC[C@@H](C)C[C@H](NCCC)c1cc2sc(C)cc2s1 2196836778 MFYCWNDKOWLFJI-OCCSQVGLSA-N 305.512 5.361 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1sccc1Cl 2207443926 FJGKHINYZBXQQJ-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE C=CCCCCCCCOC(C)(C)CCNCc1ccccc1 2211144488 FLUNTMQGYCVKIH-UHFFFAOYSA-N 317.517 5.488 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2212100449 MEHLFPFXYUVUTG-BEFAXECRSA-N 322.493 5.131 30 10 DKEE CCCCCCCCCCOCc1coc(Br)c1 2223243498 VQTMABKUKXGVIT-UHFFFAOYSA-N 317.267 5.699 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1nc(Cl)cs1 2227268905 UIYAPYCOKGFUPQ-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE CCCCCCCC[C@@H](NN)c1ccc(F)c(C)c1Cl 2235594259 LXZBMKZUVUHQND-OAHLLOKOSA-N 300.849 5.043 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)s1 2235757558 RURYLKASOKDJCS-LLVKDONJSA-N 324.232 5.107 30 10 DKEE CC(C)(C)[C@H](CS)CSc1ccc(OC(F)(F)F)cc1 2235919023 GEXRHHGFZWADSU-SNVBAGLBSA-N 324.433 5.269 30 10 DKEE C=C[C@@H](CCCCC)OCC(=O)c1ccc(Cl)cc1Cl 2239497696 GKKNJZLVPACSOC-ZDUSSCGKSA-N 315.240 5.328 30 10 DKEE C=C(C)CCCC[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 2250156325 XWEBGWJOQBSYIP-JOCHJYFZSA-N 324.464 5.610 30 10 DKEE CCCCCCCCCC[C@H](O)c1csc(Cl)c1OC 2284189193 AIYDOSCCKNDUPZ-AWEZNQCLSA-N 318.910 5.974 30 10 DKEE N#Cc1c(Cl)cccc1SC1CC2(C1)CC1(CCC1)C2 2289702370 AQFAAJOYNDYWPF-UHFFFAOYSA-N 303.858 5.417 30 10 DKEE O=C(C=CNc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 2297351366 NJXFGMRWXBFVFA-UHFFFAOYSA-N 317.363 5.301 30 10 DKEE Cc1c(Cl)ccc([C@@H](C)[C@]2(C#N)CCCS2)c1Cl 2327958915 OTJHBIYPQSBMGT-QMTHXVAHSA-N 300.254 5.195 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1cccc(Cl)c1Cl)NC 2344349382 SHQZJUJLWHBBLG-GDBMZVCRSA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1ccc(Cl)cc1Cl)NC 2344350204 ZTFHNZNGVSFRKI-HZPDHXFCSA-N 300.273 5.116 30 10 DKEE CO[C@H](CSC[C@](C)(CS)C(C)(C)C)CC(C)(C)C 2352102351 ZMPGHGHRPUCVDE-BBRMVZONSA-N 306.581 5.153 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Cl)cc(Cl)c1 2365070316 JJUDBFHVUJMYOM-XJKSGUPXSA-N 310.268 5.084 30 10 DKEE C=CCCC(C)(C)CNc1cc(Cl)c(C(=O)O)c(Cl)c1 2366379310 YWABEUNRGAELCN-UHFFFAOYSA-N 316.228 5.096 30 10 DKEE C=C1C[C@H]1C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366804925 AAFYAIDHLKZQQL-YOEHRIQHSA-N 312.284 5.260 30 10 DKEE CCCC#C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366805482 HHQUGXBMPXWPQD-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)CCCc1cc(Cl)cc(Cl)c1 2370601395 CQIINYQXKYHMDQ-SJORKVTESA-N 315.284 5.669 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1sccc1C)[C@H]1CC=C[C@H]21 14456076 JSMRUJMQBUJTLD-SIXWZSSISA-N 323.461 5.448 30 10 DKEE CC1(C)C/C(=N/Nc2ccccc2)C/C(=N/Nc2ccccc2)C1 33722147 NWGKJELSPNNQBO-XPKROWLPSA-N 320.440 5.133 30 10 DKEE CC(C)[C@@H](CS)COc1ccc(Oc2ccccc2)cc1 94583078 HMXLITVUNSRMPV-OAHLLOKOSA-N 302.439 5.060 30 10 DKEE CSc1nnc(SCCCCCCCCCS)s1 97800160 RJKJFCAHPAHFRJ-UHFFFAOYSA-N 322.590 5.013 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccc(Cl)s1 115653033 KFNWCXOAPKHTHP-HNNXBMFYSA-N 316.938 6.746 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccc(CC)s1 115653201 RXASHNKSRLAMBZ-GOSISDBHSA-N 310.547 6.655 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1cc(Cl)ccc1Cl 158913224 MGTWQEBIXJKTMJ-INIZCTEOSA-N 300.273 5.116 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1C(F)(F)F 159143500 RKLVRYVQDPKJRF-AWEZNQCLSA-N 301.396 5.717 30 10 DKEE CC[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1Cl 168258610 DZMWAMASPJVGCV-HNNXBMFYSA-N 323.198 5.567 30 10 DKEE Cc1cc(Br)cc(Nc2cc(Cl)ccc2C#N)c1 232070104 UISTWYXPYMCZHA-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCNc1ccc(C#N)cc1Br 232951565 CXQZOAIFNUJMFK-UHFFFAOYSA-N 323.278 5.483 30 10 DKEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698981821 TWCKPDHFFNIHCW-GOSISDBHSA-N 320.408 5.040 30 10 DKEE Cc1ccc(N=C2NC3(CCCCCC3)CS2)c(Cl)c1 713234842 DZDJCYQSLJJEJF-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE C=CCCC(C)(C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 717668296 XZSKLEPQGTYVLZ-UHFFFAOYSA-N 303.189 5.058 30 10 DKEE N#Cc1cc(C(F)F)c2c(SC(F)(F)F)csc2c1 725291400 MTWFVTNDMVFEQP-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE Cc1ccc(C#Cc2cc(Br)ccc2Cl)cc1C 1614826693 LRIZCZPYGFMEEW-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE C=C(C)CCCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 1935967635 SLSHACQPUAXHLK-SFHVURJKSA-N 309.453 5.273 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1scc(Cl)c1Cl 2096222038 QRZBTCQVNVBGBL-CYBMUJFWSA-N 322.301 5.078 30 10 DKEE CC[C@H]1CCC[C@@H](Nc2cccc(Br)c2C#N)CC1 2103209310 UQICSEGNTCHRRT-QWHCGFSZSA-N 321.262 5.092 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1cc(Cl)sc1Cl 2108209393 RXSIJVOACVYLLF-UONOGXRCSA-N 320.285 5.373 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cc(Cl)c(Cl)s1 2117028175 ZOBOPLGHBFKTAL-BXUZGUMPSA-N 318.269 5.198 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccc(SC)s1 2149707985 PIKYCEZSRNMNEF-HNNXBMFYSA-N 313.576 6.261 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccsc2C(F)(F)F)C1 2157671804 RRYFHUHVNMHQLT-RISCZKNCSA-N 304.377 5.095 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cscc1C(F)(F)F 2179681786 NBNDWXMTBMCKRO-CQSZACIVSA-N 305.409 5.554 30 10 DKEE C[C@@](F)(CNc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F 2191839376 GLBSNXNCVKUBNB-SECBINFHSA-N 323.639 5.061 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)cc(Cl)c1Cl 2227305636 PTXIOPIUEVWSJE-AWEZNQCLSA-N 322.707 6.268 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(C(F)(F)F)ns1 2235521543 KHEKGFIBFBXJJK-NSHDSACASA-N 306.397 5.078 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccccc1Br 2259197418 YMQFYRJGHVGLAC-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccc(C)c(Br)c1 2259197448 YXJFJTTVANMKHR-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCCCCn1nc(Cl)nc1Cl 2265061145 OTBAMNOYMXDATM-UHFFFAOYSA-N 306.281 5.506 30 10 DKEE CC(C)c1cc(Br)cc(C(=O)C2=CC[C@H](C)CC2)c1 2265965814 TYCFVPUJRXONGE-LBPRGKRZSA-N 321.258 5.502 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc2sccc2s1 2295593201 ZPLVBVOTBDTVBA-KRWDZBQOSA-N 310.528 6.311 30 10 DKEE CCCCCCCCC[C@@H](C)Nc1ccc(Cl)cc1Cl 2295685341 WOYDTBGGJIRQKD-CQSZACIVSA-N 316.316 6.935 30 10 DKEE CCCCOc1ccc(C=C2Oc3cc(C)c(C)cc3C2=O)cc1 2314519563 SUJPHNUIOQSJAY-UHFFFAOYSA-N 322.404 5.099 30 10 DKEE C=CCOc1ccccc1C=CC(=O)c1ccc(CCCC)cc1 2322391293 NMFCBTOPHMKWDB-UHFFFAOYSA-N 320.432 5.490 30 10 DKEE CC(CCc1ccccc1)=NOCc1ccc(Cl)cc1F 2329919380 NIGMYZDLZQZSOU-UHFFFAOYSA-N 305.780 5.004 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2338697158 VICPCVAJEGBLQW-OAHLLOKOSA-N 318.675 5.676 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(C)c(Br)c(C)c1 2344384705 XTRZKNIDUTWEQZ-INIZCTEOSA-N 324.306 5.319 30 10 DKEE C=CCC(CC=C)Sc1c(Cl)cccc1C[C@@H](N)CC 2360208431 OPVRDYMWWKPTDL-AWEZNQCLSA-N 309.906 5.233 30 10 DKEE C=CC[C@@H]1CCC[C@H]1Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2362236422 CFWCMMGTYKSQRH-BXKDBHETSA-N 315.200 5.058 30 10 DKEE CCCCC#CC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2364552143 VUZMDVKQUVBAID-MRXNPFEDSA-N 312.284 5.536 30 10 DKEE Cc1c([C@H](O)C2(C#N)CCCCCC2)ccc(Cl)c1Cl 2366012900 SASPWNXNASQBSI-HNNXBMFYSA-N 312.240 5.199 30 10 DKEE C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]12C 38296422 WYJKGKPQXWDIQP-BRUWWATDSA-N 316.485 5.461 30 10 DKEE CC[C@H](Nc1cc(C#N)ccc1C)c1ccc(Cl)cc1Cl 109945249 DVZNVWRWNMCDLA-INIZCTEOSA-N 319.235 5.737 30 10 DKEE N#Cc1ccc(Oc2ccc(F)c(Cl)c2)cc1C(F)(F)F 111764259 HPHJNJKDZRZQDO-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1ccc(Cl)cc1 115858391 YLQPQPYQHRPNCC-IBGZPJMESA-N 309.925 6.131 30 10 DKEE CCCCCCCC[C@H](O)CSc1ccc(Cl)cc1 116835876 ZTZSOTQPFHLQLU-HNNXBMFYSA-N 300.895 5.544 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1ccccc1Cl 122744113 QOUCLBGFNZVLQS-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCCC[C@H](NC)c1csc(Br)c1 140421605 KVRPCNQYVHPWAK-ZDUSSCGKSA-N 318.324 5.522 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(F)cc1Br 158197890 GXPMQGWLVCUWAG-HNNXBMFYSA-N 316.258 5.209 30 10 DKEE CCCCCCCCCCC(=O)c1cc2c(s1)CCCC2 165077135 AJFMBTXAIBYNNG-UHFFFAOYSA-N 306.515 6.340 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(C)cc(Br)c1 167713171 BKFWVOUAKPVCCL-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(Br)cc1C 229755649 BEPDOZGMMVCMFP-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCC[C@H](O)[C@H]1CCCC[C@H]1C(F)(F)F 252986147 NIKSELZUQOROCX-XHSDSOJGSA-N 308.428 5.857 30 10 DKEE CCCCCCCCCCNC[C@H](C)COCc1ccccc1 389958535 YAPIWHYENOCQCG-FQEVSTJZSA-N 319.533 5.570 30 10 DKEE CCCCCCCCCN1C(=O)[C@@H](CC)Nc2cc(C)ccc21 606610937 BKPXWMDWNUOFTO-QGZVFWFLSA-N 316.489 5.283 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](CCC)CC1 698956680 BYIGSFSOVIYYDK-APWZRJJASA-N 320.477 5.052 30 10 DKEE COc1cc(C)c(C=NNc2cccc(Cl)c2)cc1C(C)C 1084610995 RGCXFUFXWSWQJG-UHFFFAOYSA-N 316.832 5.226 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(Br)cc1Cl 2009490044 PXHXLGRLZFGESQ-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C=C(Br)CCOc1ccccc1-c1ccccc1 2044969738 PMJKYFJYFUVLOX-UHFFFAOYSA-N 303.199 5.031 30 10 DKEE C=CC[C@H](NC)c1ccc(-c2ccccc2Br)s1 2045754601 GNZNYNRUUDQWIU-ZDUSSCGKSA-N 322.271 5.014 30 10 DKEE CCCC[C@](C#N)(CC)Cc1ccc(F)c(Br)c1 2045998464 SORPXMVNTYCMHA-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE CC#CCC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107937525 SBVUKCUNSWKHLU-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1cc(Cl)ccc1Cl 2127974946 ZMOAXIJPSQTJNN-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1csc(Cl)c1 2154436257 XMQBXZLCCPKLQJ-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc2sc(C)cc2s1 2158325931 ZZOUUVPTJNBAFG-SJCJKPOMSA-N 307.528 5.914 30 10 DKEE C=C(c1ccccc1)[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 2197142710 TZYPZVSOKJROIH-MRXNPFEDSA-N 310.199 5.020 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@@H](O)c1csc(Cl)c1 2207430850 ZALJEDABWDRTRO-ZBFHGGJFSA-N 315.910 5.069 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Cl)c(Cl)c(Cl)c1 2224345022 KMXXBNXMRHZIAN-HNNXBMFYSA-N 323.691 6.215 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)nnc1Cl 2239556039 DPHVJPXFDXTKAP-UHFFFAOYSA-N 320.264 5.088 30 10 DKEE C=C(C)CC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243557979 NGLNOBODTXOVLI-QGZVFWFLSA-N 319.445 5.040 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CC(C)(C)CCC1(C)C 2245434097 AYERJNHCAJLTQV-IBGZPJMESA-N 322.493 5.131 30 10 DKEE CCCCCCCCC[C@@H](C)NCCN(C)Cc1ccccc1 2246063262 PDDFHSIWNDJFEK-HXUWFJFHSA-N 318.549 5.237 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(C)c(Br)c(C)c1 2259235242 MJDZIZDSGPDWNF-HNNXBMFYSA-N 311.263 5.236 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CCC(F)(F)F 2268395118 UXAXJWFUKKAQSM-IBGZPJMESA-N 301.418 5.126 30 10 DKEE C=C(C)CCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1F 2271779961 YVWCCQGUUABVOY-HNNXBMFYSA-N 305.220 5.477 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(O)c1cc(Cl)ccc1Cl 2284082384 UXRNCBKYPQDJJF-KRWDZBQOSA-N 311.252 5.197 30 10 DKEE C=CCCS[C@@H]1CCCCCCC(F)(F)[C@@H]1NCCC 2287197588 CCXKRJBGJXVZFX-HUUCEWRRSA-N 305.478 5.022 30 10 DKEE CCCCCCCCOc1cc(N)c(C)cc1Br 2321070909 WZPBZDLYLOBQDC-UHFFFAOYSA-N 314.267 5.079 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2353214935 XNCNGVAJYHSQKV-MRXNPFEDSA-N 303.273 5.870 30 10 DKEE Cc1cc(C#N)ccc1CNc1ccc(Cl)c(C)c1Cl 2365675355 SROBURDHOOYHJG-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=C1C[C@@H]1[C@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2367654439 SILWEPLLTFXMGZ-IRXDYDNUSA-N 312.284 5.260 30 10 DKEE CC1(C)CC(CS)(CSC2CC3(C2)CC2(CCC2)C3)C1 2371134359 UVWPHSJVUHRQCS-UHFFFAOYSA-N 310.572 5.569 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2 14456040 RDFUTLUEYRFDJM-TXPKVOOTSA-N 323.461 5.448 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 14465902 QMFBIJCURQSFID-MUKKUYKPSA-N 306.796 5.038 30 10 DKEE Cc1ccc(-c2ccc(/C=C\C(=O)c3ccco3)o2)cc1Cl 34688281 SMQJQKGJRQKXQK-VURMDHGXSA-N 312.752 5.398 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Nc1cccc(Cl)c1F 36926938 SYHUWHRIYHXZBO-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154778 KERRRZFZGVVLSS-DVOMOZLQSA-N 307.890 5.787 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1c(Cl)cccc1Cl 37937351 VHZQSZDYHZHDFT-ZDUSSCGKSA-N 311.599 5.324 30 10 DKEE Cc1cccc(Cn2c(Cl)c(C#N)c3cc(C)cc(C)c32)c1 71465706 YDQXVCUYYQZKSS-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE C[C@H](CS)Cc1c(Cl)c(Cl)cc(Cl)c1Cl 107502341 VSCMARSDZCUDEW-YFKPBYRVSA-N 304.069 5.409 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H](C)c2ccccc2Cl)C1 110265544 TZIFBTVBYPDXKV-YRBFXIGRSA-N 304.865 5.051 30 10 DKEE CCCCCCC[C@H](CNC)c1ccccc1Br 118663377 IEJBRDPAKQBTNH-CQSZACIVSA-N 312.295 5.113 30 10 DKEE CCCCCCCC[C@H](NN)c1ccc(Cl)cc1Cl 122363053 CDUYRBAQWQKIQP-HNNXBMFYSA-N 303.277 5.248 30 10 DKEE Cc1ccc(C)c(Oc2cccc(Br)c2C#N)c1C 168626824 NGEGGJNZVWTJGC-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE N#Cc1ccc(Sc2cccc(Cl)c2)c(Br)c1 213524986 WTMXBKUYASOQKJ-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCC[C@H](O)c1cccc(F)c1Cl 229275752 XRYBHFOMYYFRDU-INIZCTEOSA-N 300.845 6.043 30 10 DKEE COc1ccc(C=Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 254730514 SZNPABOVWMGYCD-UHFFFAOYSA-N 323.480 6.041 30 10 DKEE Cc1cc(C#N)ccc1CSc1cc(Cl)cc(Cl)c1 311979343 LHSPUMRPGCYVBP-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1c(Cl)cccc1Cl 400857313 LJHDEKJWCIYAQF-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=C1CCC(CNc2ccc(Br)cc2CC)CC1 724549935 SOZOICDVHWHKEO-UHFFFAOYSA-N 308.263 5.170 30 10 DKEE C/C(CCc1ccccc1)=N\OCc1ccc(C(C)(C)C)cc1 1860465860 UZOZMXZNBQILIC-OQKWZONESA-N 309.453 5.509 30 10 DKEE CCCCOc1ccc2c(c1C)O/C(=C\c1ccc(C)cc1)C2=O 1871399432 KSFQAGJFJRBVFE-UYRXBGFRSA-N 322.404 5.099 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(OCc2ccccc2)cc1 1903202821 PWBCLLLOPAEZJL-RTWAWAEBSA-N 310.437 5.291 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1ccccc1OCc1ccccc1 1975928657 QPMHNTMRXYMMEL-UWJYYQICSA-N 309.453 5.128 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1ccc(Br)s1 1978659833 QFEDEMGYJSVHGO-ZDUSSCGKSA-N 300.265 5.163 30 10 DKEE CCCC(CCC)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1981287663 CGWPMAZHIWQBMU-QGZVFWFLSA-N 322.493 5.275 30 10 DKEE C=CCCCCCC(=O)c1ccc(C)c(Br)c1C 2045610272 TUFCDOFFUHDEGM-UHFFFAOYSA-N 309.247 5.385 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(Br)co1 2049670308 SJIDVKWLTHYLNW-CQSZACIVSA-N 316.283 5.443 30 10 DKEE N#C[C@]1(Cc2c(Cl)cccc2Cl)CCCC(F)(F)C1 2128421891 DSJQTWMPQGGYEB-ZDUSSCGKSA-N 304.167 5.255 30 10 DKEE C=C1C[C@@H]1C[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164169229 SOFFPQKFFQURPN-UKRRQHHQSA-N 303.858 5.295 30 10 DKEE CCCCCCCC(=O)c1ccc(C(F)(F)F)cc1Cl 2179263085 CJKNFBXQHNWBKH-UHFFFAOYSA-N 306.755 5.902 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(C(F)(F)F)c(Cl)c1 2182514102 WRAXZCLELSRUPU-CYBMUJFWSA-N 309.734 5.273 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Cl)c(Cl)c(Cl)c1 2224345023 KMXXBNXMRHZIAN-OAHLLOKOSA-N 323.691 6.215 30 10 DKEE CCCCCCCC[C@H](N)CCCC(F)(F)C(F)(F)F 2240470469 HVIIRDIEQRQJPQ-LBPRGKRZSA-N 303.359 5.432 30 10 DKEE C=C(C)CCCCCc1cccc(Cl)c1Br 2244628919 RXUFYDALRQYIDV-UHFFFAOYSA-N 301.655 5.782 30 10 DKEE Cc1cc(Br)ccc1OCCCCCCCS 2252620211 CJHKEHRNBJOIMQ-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE C=CCCCCCCCS[C@H](CN)c1ccc(Cl)s1 2271512708 AWRVRGMHUHKEAZ-CQSZACIVSA-N 317.951 5.661 30 10 DKEE CCCCCCCC[C@](C)(O)c1sc(Cl)cc1OC 2278292531 JQPXNRYFXTWGEA-HNNXBMFYSA-N 304.883 5.368 30 10 DKEE CCCCCCCCC[C@H](N)c1ncc(C(C)(F)F)s1 2279294042 RIFKNSNJACGLMI-LBPRGKRZSA-N 304.450 5.395 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cscc1Br 2304034949 HSNIIEIRBZXPMW-CYBMUJFWSA-N 316.308 5.154 30 10 DKEE C#CCCCCCCN[C@@H](C)c1cc(Cl)sc1Cl 2316800031 GFETUNAHDBCFNH-NSHDSACASA-N 304.286 5.289 30 10 DKEE CSCCC1CC(OCCCCCCCCCS)C1 2344614513 QAWMQMWDVOHSPE-UHFFFAOYSA-N 304.565 5.195 30 10 DKEE C=C1CC(C[C@H](NCCC)c2ccc(Cl)c(Cl)c2C)C1 2364415950 VYQBGBYKYJJRFX-INIZCTEOSA-N 312.284 5.699 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364550073 ZQFAQCHCKQJPFQ-MRXNPFEDSA-N 314.300 6.089 30 10 DKEE CCCC(C#N)(CCC)C(=O)Nc1cc(Cl)ccc1Cl 44809077 VXGFOANZCBEGKQ-UHFFFAOYSA-N 313.228 5.042 30 10 DKEE Cc1ccc(NC2=CC(=O)C[C@@H](c3ccccc3Cl)C2)cc1 58866355 AIJKDBFLZHZHPG-AWEZNQCLSA-N 311.812 5.091 30 10 DKEE Cc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OCC(C)C)cc1 83193836 NZHPNTOXFNKIFM-ZHACJKMWSA-N 322.448 5.543 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(Br)s2)C1 87972436 RBJNMWOWGXYIAI-RISCZKNCSA-N 312.276 5.163 30 10 DKEE CCCCCCCCCCCC(=O)N([C@H](C)CC)[C@H](C)CC 105359013 JGTWVDDLRSNAST-RTBURBONSA-N 311.554 6.333 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1Cl 109853368 MABMXJLHMJATDP-GFCCVEGCSA-N 321.814 6.520 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2cccc(C)c2)C1 110354709 XGRHXMAZAABOOI-JFIYKMOQSA-N 301.499 5.832 30 10 DKEE N#Cc1oc2ccccc2c1OCc1ccc(Cl)cc1Cl 126033354 RLGZHLMJRBWEKD-UHFFFAOYSA-N 318.159 5.190 30 10 DKEE C[C@@H](O)c1ccc(C#N)cc1Sc1cc(Cl)ccc1Cl 131719468 GYNSGRLOXDXRHL-SECBINFHSA-N 324.232 5.070 30 10 DKEE CCCCCCCCC(=O)c1cc(C(F)(F)F)ccc1N 158433442 IPHVEXMAGVDFQV-UHFFFAOYSA-N 301.352 5.221 30 10 DKEE CCCCCCCCCCNCc1ccc(C#N)cc1Cl 162768034 GUXGEPUJIRRYOB-UHFFFAOYSA-N 306.881 5.442 30 10 DKEE CCCCCCCCCCC(=O)c1ccc(Cl)cc1Cl 165079347 ZLSIGABOSYIBKZ-UHFFFAOYSA-N 315.284 6.707 30 10 DKEE C=CCCCCC[C@H](O)c1ccccc1NC(=O)OC(C)(C)C 697457094 IXTFNBXBMRFMEN-KRWDZBQOSA-N 319.445 5.204 30 10 DKEE CC(C)C[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698385402 YMCMJZMRDZNVLX-WBVHZDCISA-N 322.493 5.131 30 10 DKEE C=C1CCC(CNc2cc(Cl)cc(Br)c2)CC1 724565382 DDAFCHAQEWKXQM-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE Cc1cc(/C(=N/OCc2ccccc2Cl)C2CC2)ccc1F 821233015 ASPZSTWZOQIHGL-DYTRJAOYSA-N 317.791 5.118 30 10 DKEE C=C(C)CCCCNCc1sc(Cl)cc1Br 1902996107 FORISOKAEDDCBT-UHFFFAOYSA-N 322.699 5.000 30 10 DKEE C=C(C)CC[C@@H](O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925632792 GEGNFSOUFGVWKS-MRXNPFEDSA-N 319.445 5.040 30 10 DKEE C=C([C@@H](NCC)c1ccc(OCc2ccccc2)cc1)C(C)(C)C 1947453723 OFYXCYFCEPCCGN-OAQYLSRUSA-N 323.480 5.519 30 10 DKEE C=CCCCCC(=O)c1cc(F)cc(NC(=O)OC(C)(C)C)c1 1984509790 DWYCSTVAZPAGAX-UHFFFAOYSA-N 321.392 5.102 30 10 DKEE CCCCCCCCCCN(C)CCCOCc1ccccc1 1990796855 JPFWATPWRPWXEZ-UHFFFAOYSA-N 319.533 5.666 30 10 DKEE C=C(F)C[C@H](O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993583076 OCMDWYXAMMPHFZ-INIZCTEOSA-N 323.408 5.064 30 10 DKEE C=CCCCCCCCCNC[C@H](C)COCc1ccccc1 1995325021 DVVNGOCKSCPFOC-FQEVSTJZSA-N 317.517 5.346 30 10 DKEE CC(C)(C)C#CC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2045655251 OVGZNONXXGJTIQ-LLVKDONJSA-N 304.648 5.086 30 10 DKEE CCC[C@@](C)(C#N)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2045998335 RODYRTVAZVVXHI-STQMWFEESA-N 306.620 5.010 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](C)c1cc(C)c(C)cc1C 2070161677 OVJWXUSANVDZIF-GOSISDBHSA-N 314.432 5.066 30 10 DKEE N#CC1(Cc2cc(Cl)sc2Cl)CCC(F)(F)CC1 2074835667 UNRKVJMUNQVTLC-UHFFFAOYSA-N 310.196 5.317 30 10 DKEE CCCCCCCCC[C@H](N)c1sc(Cl)nc1Cl 2075815996 ZWNCMQZIBQORJN-JTQLQIEISA-N 309.306 5.590 30 10 DKEE CCCCCCC[C@H](NC)[C@H](O)c1cc(Cl)sc1Cl 2092178782 CVVCACVDUKCKKQ-WCQYABFASA-N 324.317 5.037 30 10 DKEE C=CCC[C@H](C)[C@@H](CSc1ccc(Cl)cc1)NCCC 2158319242 BAJDPCAETGXTRF-WMLDXEAASA-N 311.922 5.403 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(-c2ccc(F)cc2)s1 2164107601 MRGOVGQKTYDYAS-CQSZACIVSA-N 309.837 5.347 30 10 DKEE C#CC[C@H](NCCC)c1ccc(-c2ccccc2Cl)s1 2164214796 KRXCQSRUEWSAQU-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CC1(C)CCCC[C@]1(C=O)Cc1cscc1C(F)(F)F 2173657011 XIINCUQYBUQICO-CQSZACIVSA-N 304.377 5.095 30 10 DKEE C=C1CCC(C[C@H](O)c2ccc(-c3cccs3)s2)CC1 2205865604 LNDFZOZVAGRIMI-AWEZNQCLSA-N 304.480 5.647 30 10 DKEE C=CCCCCCC[C@H](NCC)c1c(Cl)cccc1Cl 2206901778 DYHDNRKNMLNYSI-INIZCTEOSA-N 314.300 6.171 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(Cl)c(Cl)c1 2224389957 AJEUFELVYHGWQR-AWEZNQCLSA-N 322.707 6.268 30 10 DKEE CC(C)(C)[C@H](CS)CSc1nc(-c2ccccc2)cs1 2234271865 OJAVMNGJJQHGFH-CYBMUJFWSA-N 323.552 5.494 30 10 DKEE C=C(C)CCCCC(=O)c1sc(CC)cc1Br 2250187496 BYSFYWZOJGBVBX-UHFFFAOYSA-N 315.276 5.392 30 10 DKEE CC(C)(C)C#CC=CCCc1ccc(F)c(Br)c1 2256713781 LBLHEPAFKJNOEC-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE CCCCCCCCC[C@H](C)NCc1cnc(Cl)s1 2278233507 HTCSNWSAHRGBPV-ZDUSSCGKSA-N 302.915 5.415 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(F)c(Cl)c1F 2280473664 BVLUFCJSLYHTEX-INIZCTEOSA-N 304.808 5.576 30 10 DKEE CCCC1CCC(C=O)(Cc2ccc(Cl)nc2Cl)CC1 2286780675 QFPOAHRKIIICAR-UHFFFAOYSA-N 314.256 5.107 30 10 DKEE CCCCCCC[C@@H](NC)c1csc(C)c1Br 2303644785 VICDSUIZSJYCTL-CYBMUJFWSA-N 318.324 5.440 30 10 DKEE C=C1C[C@H]1[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2319247136 SSHKIODGSAOJPA-YGRLFVJLSA-N 304.648 5.264 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1NCc1ccc(-c2cccs2)s1 2362213422 DOKQSFDPVRCYTQ-HIFRSBDPSA-N 303.496 5.311 30 10 DKEE CCCCc1ccc(-c2ccc(-c3ncc(C#N)cn3)cc2)cc1 34588313 CYIUTEWMRFLAQG-UHFFFAOYSA-N 313.404 5.025 30 10 DKEE N#C[C@@H](C(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl 44268520 VSQWICCNOLMRAK-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE Cc1cc(C(=O)/C=C/c2c[nH]c3ccccc23)c(C)cc1Cl 83194328 XYYNXKAFUJSICP-BQYQJAHWSA-N 309.796 5.334 30 10 DKEE CCCCCCCn1c(Cc2ccccc2C)nc2ccccc21 102182780 YBHPTPKTQZLELX-UHFFFAOYSA-N 320.480 5.906 30 10 DKEE N#C[C@@H]1CCCC[C@H]1Nc1cc(Cl)c(Cl)cc1Cl 110155375 XFJRARVRNSHPDL-QPUJVOFHSA-N 303.620 5.141 30 10 DKEE CCCCCCCCCCCC[C@H](CSCC(C)C)NC 115645380 JVWSNUYWAFJJGB-LJQANCHMSA-N 315.611 6.275 30 10 DKEE CCCCCCCCCC[C@@H](CS[C@H](C)CC)NCCC 115646067 LSCXRCRZRSEWLG-MOPGFXCFSA-N 315.611 6.417 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@@H]1CCCc2sc(Cl)cc21 127796135 WCVBKCXBUHHMDR-CYBMUJFWSA-N 320.820 5.210 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(F)c(Cl)cc1F 157816993 ZMDMXHJIFMYAQB-INIZCTEOSA-N 303.824 5.759 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1 216576424 QIIIXVKYJXFDFG-DISONHOPSA-N 307.547 6.043 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Br)ccc1C#N 232950339 UHGGUXJHMZEWRC-ZDUSSCGKSA-N 323.278 5.482 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(Br)c(Cl)c1 236315748 RQGHEAMHRMBURQ-CQSZACIVSA-N 316.670 5.239 30 10 DKEE CCCCCCCC[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 304364235 ILONKWPALJTADJ-LJQANCHMSA-N 322.493 5.278 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 308054820 LQAYRRYAXYBXGO-SMDDNHRTSA-N 312.240 5.242 30 10 DKEE N#Cc1c(F)cccc1Nc1ccccc1OCc1ccccc1 310082961 DZNPXNDNESLAQJ-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CCCCCCCCC[C@@H](NCC)[C@H](C)OCc1ccccc1 404478988 QXHVEDWFQYGONM-PZJWPPBQSA-N 319.533 5.711 30 10 DKEE N#Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1C(F)(F)F 514261013 ZZMSGSBHIRLWIO-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCCCCCC[S@@](=O)Cc1ccc(Cl)c(Cl)c1 526857259 ALKGSSSKZBURKM-GOSISDBHSA-N 307.286 5.213 30 10 DKEE CCCCCCCN[C@H](C)c1ccc(F)cc1Br 703771327 OSKKWLIQTXRJQC-GFCCVEGCSA-N 316.258 5.209 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)Sc1ccc(Br)cc1 704940270 ICWNPXHNCAEACT-UGFHNGPFSA-N 324.287 5.260 30 10 DKEE CC[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 710834711 YUYVIQHVMLYHNY-DOMZBBRYSA-N 322.836 5.020 30 10 DKEE Cc1cc2c(cc1C)CN(c1ccc(N=Cc3ccco3)cc1)C2 1084362665 STFOFOPIYBMAJM-UHFFFAOYSA-N 316.404 5.167 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 1885229373 RYZXFVVOLFLCKQ-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(F)cc1Br 1920043511 NKDRFQAVFIWXAB-HNNXBMFYSA-N 317.242 5.156 30 10 DKEE CCCCCCC[C@@H](N)c1scc(Br)c1C 1922966891 ZVEIHONVSCLLBP-GFCCVEGCSA-N 304.297 5.179 30 10 DKEE Cc1cc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)nc(C)c1C#N 1946841866 ITEYYHRYEJAQOL-QGZVFWFLSA-N 321.468 5.011 30 10 DKEE C=C(C)C[C@H](NCCC)c1c(Br)sc(C)c1C 1951107294 GYFLKUHALZORPO-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C(Br)CCSc1cc(Cl)cc(Cl)c1 1955991515 MFMQANQXKSJSBG-UHFFFAOYSA-N 312.059 5.384 30 10 DKEE C=CC1(CN(Cc2ccccc2)[C@@H](C)c2cccs2)CCC1 1960765348 DQXOGVLCCCSULX-KRWDZBQOSA-N 311.494 5.668 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(Br)c(C)s2)CC1 2010781799 ARXVMEYBNBHPMY-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2096546577 RKSUZAIRRXOZTB-GHMZBOCLSA-N 320.691 6.042 30 10 DKEE C=CCCCC[C@@H](Cc1ccccc1Br)NCCC 2123080677 OZQUVDUXJZHCRG-INIZCTEOSA-N 324.306 5.106 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1snc(Cl)c1Cl 2142447673 JVRLYYOHXVSNFR-LLVKDONJSA-N 321.317 5.757 30 10 DKEE CCCCCCC[C@@H](O)[C@H](NCCC)c1ccc(Cl)s1 2147645553 JVVULSWBASDVLV-CJNGLKHVSA-N 317.926 5.164 30 10 DKEE CCC1(OCc2ccc(Cl)c(Cl)c2)CCC(=NO)CC1 2161475041 XYPOBFHGTSNISO-UHFFFAOYSA-N 316.228 5.063 30 10 DKEE CC1(C)C[C@@](C#N)(CCc2cc(Cl)cc(Cl)c2)CCO1 2161611818 VSYWGHKDBINQCS-MRXNPFEDSA-N 312.240 5.025 30 10 DKEE C#CC[C@H](C)C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2196720371 TVGBLDZMCJOJAY-SWLSCSKDSA-N 304.842 5.151 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc2cscc2s1 2207438279 SICKHHUVCPSYEJ-OAHLLOKOSA-N 308.512 6.303 30 10 DKEE CCCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C(C)C 2212661221 YKAAQMALNJZUCR-LJQANCHMSA-N 324.509 5.665 30 10 DKEE C=C1CCC(CC(=O)c2scc(Br)c2C)CC1 2213771276 PIABTZHQHXZQAL-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CCCCCCCC[C@]1(N)C[C@@H](C)Sc2sccc21 2235525021 WVGAUOXRVBQNQD-PBHICJAKSA-N 309.544 5.703 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1cccc(Cl)c1Cl 2235752389 AJJZMWZAKFFIBV-OAHLLOKOSA-N 314.300 5.780 30 10 DKEE CCCCCCCC(=O)c1cc(F)cc(Br)c1F 2259981692 CDFBSQMBIFYHDI-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2279048308 VHMSDSOMBFKRPD-KRWDZBQOSA-N 316.316 6.313 30 10 DKEE CC(C)(C)C#CC=CCNc1cc(Cl)c(F)c(Cl)c1F 2284186111 XEEMCYLUZHRPPQ-UHFFFAOYSA-N 318.194 5.289 30 10 DKEE CC1(CS[C@@H]2CCCCC[C@@H]2C#N)CC(C(F)(F)F)C1 2287331711 IEFKURGELZBRLP-NELGMTEASA-N 305.409 5.171 30 10 DKEE C=C(C)CCCC[C@H](N)c1cccc(SC(F)(F)F)c1 2287412757 FWBSLPKTDDSXHV-AWEZNQCLSA-N 303.393 5.435 30 10 DKEE CCCCCCCCCOc1ccc(C=CC(=O)O)cc1Cl 2296101467 AZSMJYPYHLCYOF-UHFFFAOYSA-N 324.848 5.567 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Br)c(Cl)c1 2304036204 SNXHKHZDLSDDLD-ZIAGYGMSSA-N 316.670 5.095 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Br)cc1CC 2344378486 GVUNHPGWPLHEHF-DYVFJYSZSA-N 324.306 5.264 30 10 DKEE C[C@H](CCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N)C(F)F 2363933840 CEHFDUKTRLQRGA-AAVRWANBSA-N 303.462 5.365 30 10 DKEE CCCCCCCCCC[C@@H](O)c1c(F)ccnc1Cl 2370986513 GJTCCHWMTUQCJZ-CQSZACIVSA-N 301.833 5.438 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H]1CCSc2ccc(Cl)cc21 50429958 TVHKMIDJYDLYRA-OAHLLOKOSA-N 314.841 5.169 30 10 DKEE C=CCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 71276651 QTOVUKMGKLHOQP-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE CCCCCCCCCCCCCCCc1cccc(OC)c1 79084705 KFSQTHOUPXNGQR-UHFFFAOYSA-N 318.545 7.329 30 10 DKEE N#Cc1ccc(OCc2cc(Cl)ccc2Cl)c(Cl)c1 87759997 SGRFOIVVUPHNAL-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE Cc1ccc(Nc2ccc(C#N)cc2Cl)c(Br)c1 110251037 DXIQBCFQUGRMJW-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Br)o1 114873522 YBUPUECGFUGHLG-GFCCVEGCSA-N 303.240 5.216 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H]1SCCS[C@H]1C 135769638 CNBFTMQJNIEETM-JYJNAYRXSA-N 303.581 5.082 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(Cl)ccc1OC 228482625 AFLVFPYIUIVSSX-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE C=CCC(C)(C)CN[C@@H](CC)c1ccc(Cl)c(Cl)c1 311871351 LTGJVHCDYHYDKQ-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE C=CCCC[C@H](C)NCc1ccc(OCc2ccccc2)cc1 398100349 HLGPQDVCMGFEPU-SFHVURJKSA-N 309.453 5.100 30 10 DKEE CCOc1ccccc1/C=C\C(=O)c1cc(Cl)ccc1Cl 606208041 ZGWXGNITEHTNEW-YFHOEESVSA-N 321.203 5.288 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2cc(Cl)ccc21 692192500 YNQAKEKHTNFUAP-BXUZGUMPSA-N 306.862 5.286 30 10 DKEE C=CCCC(C)(C)CNCc1ccc(OCc2ccccc2)cc1 703995052 BUANPIHSJYGJLF-UHFFFAOYSA-N 323.480 5.348 30 10 DKEE CC(C)=C(CSCC1CCCCC1)B1OC(C)(C)C(C)(C)O1 1901632930 NUWZQHCBRKOYPU-UHFFFAOYSA-N 324.339 5.268 30 10 DKEE C=C([C@H](NCCC)c1cc2ccccc2s1)[Si](C)(C)C 1922867367 DUDVEKQRNWQQMF-KRWDZBQOSA-N 303.547 5.376 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)C[C@H](C)O 1995325764 OPKCFFXTDNRFLY-FQEVSTJZSA-N 317.517 5.176 30 10 DKEE C=CCCCCCCCCN[C@@H]1CC[C@@H]1OCc1ccccc1 1995327483 IMESIYQFFAUTOI-RTWAWAEBSA-N 315.501 5.241 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1ccccc1OCc1ccccc1 1996708893 FLPKWTGNEPWYMR-FPOVZHCZSA-N 321.464 5.273 30 10 DKEE C=CCCCC[C@H](NC)c1c(Cl)cccc1Br 2009481308 HDDJDDHNFBGKER-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc(Cl)c(Cl)s2)C1 2061736187 CUXVUGUVTMWRDS-GFCCVEGCSA-N 304.286 5.452 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2116655798 KCUARLBGKNJRIW-OLZOCXBDSA-N 300.273 5.116 30 10 DKEE CC(C)(C)CNCCC#Cc1c(Cl)cc(Cl)cc1Cl 2119550484 DQPXGIQKKRGJJW-UHFFFAOYSA-N 318.675 5.024 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2ccc(Br)c(C)c2)C1 2125735108 GHASGERPOXTGFS-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE C=CC1(CN[C@H](C)c2cc(Cl)sc2Cl)CCCCC1 2132977299 LNQMKBOJHSZHRU-LLVKDONJSA-N 318.313 5.842 30 10 DKEE C#C[C@@H](Nc1nc(Cl)c(Cl)cc1Cl)C1CCCCC1 2139044936 PDBYIRPEUKQIQR-GFCCVEGCSA-N 317.647 5.036 30 10 DKEE C=CCCCCCCCCNCc1cc(Cl)sc1Cl 2142442910 ATZHPTSOQQXTBA-UHFFFAOYSA-N 320.329 6.061 30 10 DKEE CC1CCC(C#N)(Cc2csc(-c3cccs3)n2)CC1 2144695574 WXLUPSGQWHDHRJ-UHFFFAOYSA-N 302.468 5.134 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1cc2cscc2s1 2149864407 KIHPOCQEHVLWER-OAHLLOKOSA-N 303.496 5.197 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)c2csc(Cl)c2)C1 2154440545 LUQYTHZILGBQBV-ZDUSSCGKSA-N 311.878 5.181 30 10 DKEE CCCCCCCCN(C)[C@@H](C)C(=O)c1ccc(Cl)s1 2196690833 NSQSCNPBXCJZMS-ZDUSSCGKSA-N 315.910 5.265 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2206799644 HCLWMPDLVXKFMI-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C=CCCCCCCCCNc1cc(Cl)c(C)cc1Cl 2207412823 YBMZFTAJYQSJET-UHFFFAOYSA-N 314.300 6.630 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(C)c(C)c1Br 2215900864 FHZJBHABVFTWIE-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE C=CCCCC[C@@H](NC)c1sc(Cl)cc1Br 2244976948 YRDOHYPTBPCNHH-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE O=C(C#CC1CCCCC1)c1ccccc1OCc1ccccc1 2251443746 UDSNKAABLFDKSR-UHFFFAOYSA-N 318.416 5.032 30 10 DKEE C=CCC[C@@H](C)[C@@H](OCCCN)c1cc(Cl)sc1Cl 2277118810 KVXDXCWYAVXVEV-ZWNOBZJWSA-N 322.301 5.064 30 10 DKEE C=CCCCCCCCSC[C@@H](N)c1ccccc1Cl 2287190465 YQZKONUGZHDMAM-QGZVFWFLSA-N 311.922 5.600 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1csc(C(F)F)c1 2295585276 KYDQUMPELPKWNI-MRXNPFEDSA-N 303.462 6.000 30 10 DKEE C=CCCC(C)(C)CNCc1cc(F)c(Cl)cc1Cl 2349897389 YWARMWNCPIJKDN-UHFFFAOYSA-N 304.236 5.215 30 10 DKEE Cc1c(Cl)ccc(NC[C@@H](C#N)C2CCCCC2)c1Cl 2365679358 IPQFZEFRQSETSQ-CYBMUJFWSA-N 311.256 5.434 30 10 DKEE C[C@H]1CCCC[C@@]1(C=O)CCCc1cc(Cl)cc(Cl)c1 2366848137 IWZYHSFEJDBVPH-GUYCJALGSA-N 313.268 5.712 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2370484146 YBCPRAAWGKXMEL-MRXNPFEDSA-N 314.300 5.945 30 10 DKEE CCCCCCCCSc1ncnc2c1ncn2CCCC 1736108 NVPJDDPNMWHPHC-UHFFFAOYSA-N 320.506 5.079 30 10 DKEE N#Cc1cnc2ccccc2c1Nc1ccc(Cl)c(Cl)c1 36913187 CDDSQRFGIDEVDI-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE Cc1ccc([C@H](C)Nc2ccc(C(F)(F)F)cc2C#N)s1 49185830 UDIAELLLMOPBQV-JTQLQIEISA-N 310.344 5.120 30 10 DKEE N#C[C@H](CCOc1cccc2ccccc12)c1ccc(F)cc1 57685539 ZYIJEFHFMILDLO-KRWDZBQOSA-N 305.352 5.055 30 10 DKEE C[C@](C#N)(CCOc1cccc2ccccc12)c1ccccc1 57687444 JQYFVKURJYQFRW-OAQYLSRUSA-N 301.389 5.090 30 10 DKEE CC(C)(C)c1nc(Cc2cccc3ccccc23)sc1C#N 82438757 NCXXZTCLDWZREN-UHFFFAOYSA-N 306.434 5.056 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1C(C)C 83192646 NGZODCOYXLUVCC-ZRDIBKRKSA-N 308.421 5.495 30 10 DKEE CCCCCCCCCCCCCCC[C@H]1OC[C@H](CO)O1 100035306 SMZVDXMAZDUWPE-OALUTQOASA-N 314.510 5.202 30 10 DKEE CCCCCCCCNCc1ccc(OCCC)c(OCC)c1 104468514 BNZUEUZELMZQLX-UHFFFAOYSA-N 321.505 5.324 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(Br)cc1 112888860 HRDBEARHHDQZHM-INIZCTEOSA-N 312.295 5.460 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1 114873749 KROVWKRNXGJPNG-INIZCTEOSA-N 303.273 6.168 30 10 DKEE CCCCCCCCCCCC[C@@H](CSCCC)NC 115644478 RAHHZZQGZFGTDS-SFHVURJKSA-N 301.584 6.029 30 10 DKEE CCCCCCCCc1n[nH]c(N)c1-c1ccc(Cl)cc1 115858217 KMKUEYCJKIPFHJ-UHFFFAOYSA-N 305.853 5.215 30 10 DKEE CCCCCCCc1onc(N)c1-c1c(F)cccc1Cl 116906404 OLFARTCYPMDQOH-UHFFFAOYSA-N 310.800 5.229 30 10 DKEE Cc1cc(Oc2ccc(Br)cc2Cl)ccc1C#N 133501324 POQCRBFQUSBSJV-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(Cl)c(OC)c1 229774614 YHYXZTGBERFFNS-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1ncc(Cl)cc1Cl 233164557 VIXQYHGGDKNHCJ-OAHLLOKOSA-N 315.288 5.566 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)C(C)(C)SC 327819497 YRXBDYNIWMUPPI-QGZVFWFLSA-N 301.584 6.027 30 10 DKEE CCc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 606208023 INWNVVCFBROONY-NTMALXAHSA-N 305.204 5.452 30 10 DKEE CC(C)(C)c1ccc(CO/N=C(/c2ccccc2)C2CC2)cc1 821226292 FBPZOKQBHYUFJX-XDOYNYLZSA-N 307.437 5.315 30 10 DKEE CC(C)c1ccnc(Nc2c(C(C)C)cccc2C(C)C)c1C#N 1859842064 YMZWUUXWBBWUJV-UHFFFAOYSA-N 321.468 6.067 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1c(C)cc(C)cc1C 1874589880 HTJKQXJOGOIIHZ-ZHACJKMWSA-N 308.421 5.297 30 10 DKEE C=C1CCC(CN(Cc2ccccc2)Cc2ccccc2)CC1 1879979962 LDWWCYAFVJSDMD-UHFFFAOYSA-N 305.465 5.435 30 10 DKEE C=CC[C@H](C)Sc1ncc(Br)c2ccsc12 1899430777 DFAZVYFFEYVWLJ-QMMMGPOBSA-N 314.273 5.116 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1cccc(Br)c1 1919911257 XJQPOPRHXLDTKT-MRXNPFEDSA-N 313.279 5.103 30 10 DKEE CCCCCCC[C@](C)(O)Cc1c(Cl)cccc1Cl 1919911871 DKNYKSDOZKPTOM-INIZCTEOSA-N 303.273 5.647 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](N)c1cccc(Cl)c1Cl 1920353241 GBGSTVRCQNKWGY-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE CCCC1CCC([C@](C)(C#N)N(CC)C(=O)OC(C)(C)C)CC1 1980218594 GZRVJGLTTGALSN-RJYAGPCLSA-N 322.493 5.132 30 10 DKEE C=CCCCC[C@H](O)c1cc(Cl)c(C)c(Br)c1 2009525266 IEJBIMMHDZDZTC-AWEZNQCLSA-N 317.654 5.191 30 10 DKEE CCCCCCCNc1cc(Br)c(Cl)cc1C 2023935010 STASQRJYPRRCGY-UHFFFAOYSA-N 318.686 5.793 30 10 DKEE N#Cc1ccc(NCc2cc(Cl)c(Cl)s2)c(Cl)c1 2037472956 NUQYECSGZHUFQB-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1ccccc1C 2070124640 DOYWVNNKPCNJSB-OAQYLSRUSA-N 306.453 5.220 30 10 DKEE CC(C)c1nn(-c2ccc(C(C)(C)C)cc2)c(C(F)F)c1C#N 2079024148 ZKZAXHJHCBMAPA-UHFFFAOYSA-N 317.383 5.102 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1scnc1Cl 2107985098 MENVCBBOWWKZJP-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE C=CCC[C@H](C)C[C@@H](NCCC)c1ccc(Br)cc1 2113420774 BCVRQMHUVNFTJG-WMLDXEAASA-N 324.306 5.482 30 10 DKEE N#Cc1cc(F)c(Oc2cc(Cl)cc(Cl)c2)cc1Cl 2120886918 HZPJFOHVLYVPNE-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE CCCCCCCC[C@H](NC)c1ncc(C(F)(F)F)s1 2156077235 WISGIRJXSPYYPI-NSHDSACASA-N 308.413 5.173 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(F)c(Cl)cc1F 2206893411 ZUSXTIFXDCRCBP-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2224368133 ATSRXWUEYOVCHU-QMTHXVAHSA-N 320.691 5.900 30 10 DKEE Cc1ccc(C)c(Oc2c(Br)cccc2C#N)c1C 2269726407 MGYBJPGKHVXKJJ-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CCCCCCCC[C@H](O)c1c(F)ccc(OC)c1Cl 2286698124 DIFXJTYIQDJEPO-ZDUSSCGKSA-N 302.817 5.272 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(F)c(Cl)cc1F 2287470402 QACYSLLAAXJQDE-INIZCTEOSA-N 301.808 5.405 30 10 DKEE O=C1C(=Cc2ccc(Cl)cc2Cl)CCCc2ccccc21 2297562984 NLWKPGKQYNPZAG-UHFFFAOYSA-N 317.215 5.596 30 10 DKEE CC1CCC(CSc2ccc(C#N)c(Br)c2)CC1 2313835315 CWWKHZSINQDEHN-UHFFFAOYSA-N 324.287 5.239 30 10 DKEE Cc1c(COCCCCCCS)ccc(Cl)c1Cl 2317272539 FJMFYFDOICZQLH-UHFFFAOYSA-N 307.286 5.309 30 10 DKEE CCCCCCCCCC[C@@](C)(CCSC)OCCN 2365641307 UICSKZINRKOXKW-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE CC[C@@H](Nc1cccc(F)c1C#N)c1ccc(Cl)cc1Cl 36138950 CNBJARHDEBJEPQ-OAHLLOKOSA-N 323.198 5.567 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc2cc(Cl)ccc2o1 124995883 JHZBHWOYDCMYGL-OAHLLOKOSA-N 308.853 5.341 30 10 DKEE CCCCCCCCCCC(=O)c1snnc1C(C)(C)C 135630220 PFDGGQJGSHWZSK-UHFFFAOYSA-N 310.507 5.549 30 10 DKEE CSc1cccc(N(C)[C@H](C)c2ccccc2Cl)c1C#N 136661038 UYVAONUYODQOKH-GFCCVEGCSA-N 316.857 5.131 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cccc(Cl)c1Cl 159068674 LVLUUKILPCXBRN-MRXNPFEDSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(N)c(Cl)c1 159711000 SAZHCBLGTJCNSG-UHFFFAOYSA-N 302.245 5.509 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1cc(C)c(C)s1 162298976 BACRUSCXTWEFJG-GOSISDBHSA-N 309.563 6.546 30 10 DKEE Cc1cc(C#N)ccc1CSc1ccc(Cl)c(Cl)c1 166003922 ZITJOYFIHQPCLB-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CCCCOc1ccc(/N=C/c2ccc(OCCC)cc2)cc1 205323998 TZZRIIHYHRFTJA-LTGZKZEYSA-N 311.425 5.405 30 10 DKEE C=CCCCCCC(=O)c1cc2cccc(Br)c2o1 232482826 AILYEQWIMHGRFD-UHFFFAOYSA-N 321.214 5.515 30 10 DKEE CCCCCCCCC[C@H](O)C(C(F)(F)F)C(F)(F)F 232928995 HFLREQHJWYVOHZ-JTQLQIEISA-N 308.306 5.229 30 10 DKEE CCCCCCCCCC[C@H]1Oc2ccc(C)cc2C1=NO 254627724 VVRUMXVGPNEDPX-GOSISDBHSA-N 303.446 5.465 30 10 DKEE C=CCCCCCCN[C@H](C)c1cccc(Cl)c1Cl 312047178 ZVCBABIVYCKRRC-CYBMUJFWSA-N 300.273 5.781 30 10 DKEE N#CCc1sc2cc(SC(F)(F)F)ccc2c1Cl 725286223 KUOPGZHRDRCUTC-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE Cc1ccc(C=Nc2ccc(Br)c(Cl)c2)cc1 1084621015 ROUBXFOSFAPMNL-UHFFFAOYSA-N 308.606 5.162 30 10 DKEE C=CCCCCC[C@](O)(CC)c1ccc(Cl)c(Cl)c1 1886357418 BUUKHVZOKPEQIL-MRXNPFEDSA-N 301.257 5.728 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1cc(Cl)ccc1Cl 1920483467 DOTQVCAMQVHDMS-QGZVFWFLSA-N 316.316 6.308 30 10 DKEE CCC[C@@H](C#N)[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921059058 FYUYVXBSPJAVFL-LRDDRELGSA-N 305.830 5.042 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](NCC)c1ccc(Cl)s1 1921133440 QCXSNCNEPVJBDS-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC12CCC2 1921631891 CGWGPHDEFPKEEB-SUMWQHHRSA-N 318.258 5.417 30 10 DKEE C=C(C)CC[C@@H](NCC)c1c(C)sc(C)c1Br 1948480023 GNSNEJBOWOXOPN-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCC(CCC)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1981287662 CGWPMAZHIWQBMU-KRWDZBQOSA-N 322.493 5.275 30 10 DKEE C=CCCCCCC[C@H](N)c1ccsc1Br 1995173078 JDKJJPNNOPLNSC-LBPRGKRZSA-N 302.281 5.037 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(Cl)cc(Br)c1 2009481271 GWSIHSMTMNTTAG-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCc1ccc(C#N)c(N(Cc2ccccc2)C2CCCCC2)c1 2015035235 CCOVVTVGNMLORH-UHFFFAOYSA-N 318.464 5.460 30 10 DKEE CCCCCCCC(=O)[C@@H](O)c1cc(Cl)sc1Cl 2030540636 IUUUQTMOCUAAOW-LBPRGKRZSA-N 309.258 5.018 30 10 DKEE C=CCC[C@@H](C)Oc1cc(C(F)(F)F)ccc1Br 2040520395 YRQWHOWSFMSANO-SECBINFHSA-N 323.152 5.201 30 10 DKEE CC(C)CC[C@@H](C)[C@H](C#N)c1ccc(Br)cc1F 2085292032 TXHVJHHXQBDMPP-RISCZKNCSA-N 312.226 5.268 30 10 DKEE C=CCCCCCCC(=O)c1cc(C)cc(Br)c1 2085850712 YJYSRKBXYYCDBM-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE CCCCCCC[C@H](C)Nc1c(C)cc(Cl)cc1Cl 2136373668 DXHGCTINZWVOCW-ZDUSSCGKSA-N 302.289 6.463 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1ncc(Cl)s1 2142432682 CAUOVGCQVLRVDT-CYBMUJFWSA-N 300.899 5.493 30 10 DKEE C=C([C@H](NC)c1cc(C(F)(F)F)ccc1Cl)C(C)(C)C 2152943691 QEWZOYHRPSWGFZ-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1csc(Cl)c1 2154437367 UZHNXIJOZLNTLW-OAHLLOKOSA-N 316.942 5.827 30 10 DKEE C=CCC[C@@H](NCC)c1ccc(-c2ccccc2Cl)s1 2164106034 XTDNCFCIRNRWPL-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE CCCC[C@@](C)(C#N)[C@@H](O)c1ccc(-c2cccs2)s1 2205866003 MZNXKXXUVBGBHU-HOTGVXAUSA-N 305.468 5.230 30 10 DKEE C=C[C@@H](CCCCC)Oc1ncc(Br)cc1Cl 2216929812 XYFFAJVHHDQARE-NSHDSACASA-N 318.642 5.011 30 10 DKEE C=CCCCCCCCNCCc1ccccc1Br 2227277410 YCMHUBHBKDEWPN-UHFFFAOYSA-N 324.306 5.108 30 10 DKEE C[C@H](NCCC#CC(C)(C)C)c1cc(F)c(Cl)cc1Cl 2239137519 QXVMTZVNFBUJJN-NSHDSACASA-N 316.247 5.223 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2266799450 IQEKZWOMOTYHPT-CYBMUJFWSA-N 322.663 5.185 30 10 DKEE FC1(F)CCCC[C@H]1CSC[C@@H](CS)c1ccccc1 2283149189 VEKKIBAJISHSMF-CABCVRRESA-N 316.482 5.259 30 10 DKEE C=CCCCCOc1c(Cl)cc(C[C@H](N)CC)cc1Cl 2296271655 GZIOWGZNSYWWDH-CYBMUJFWSA-N 316.272 5.008 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1c(Cl)cccc1Cl 2344395639 JYQHSRSFDMMMGV-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE Cc1cc(OC[C@](C)(CS)C(C)(C)C)c(C)cc1Cl 2352179323 SLUAHFQIOMSWBV-MRXNPFEDSA-N 300.895 5.318 30 10 DKEE CCCC(CS)(CCC)COC[C@@H]1CC[C@@H]1C(C)(C)C 2369129582 WNFQORZZQSAXND-HOTGVXAUSA-N 300.552 5.592 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2377387697 WRSUHFYCDKHYRU-MRXNPFEDSA-N 320.279 6.144 30 10 DKEE CCCCCCCCCCN[C@@H]1CCSc2ccccc21 105838665 XQAGILAHIIMWSH-GOSISDBHSA-N 305.531 5.954 30 10 DKEE C=CCSc1ccccc1NCc1ccc(Cl)cc1Cl 109901154 SRCKWUAZKGXTQP-UHFFFAOYSA-N 324.276 5.884 30 10 DKEE C[C@H](N[C@@H](C)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 134655013 BFVHRRGFPKGVGX-QWRGUYRKSA-N 324.371 5.050 30 10 DKEE C[C@H](N[C@H](C)c1ccc2ccccc2c1)c1ccc(C#N)s1 134663391 SYNREYZHSWYLAF-KGLIPLIRSA-N 306.434 5.185 30 10 DKEE O=C(/C=C\Oc1ccc2ccccc2c1)c1ccc(Cl)cc1 210073688 YULSHEPLUDMMCU-QXMHVHEDSA-N 308.764 5.269 30 10 DKEE CC(C)c1cccc(Nc2ccc(Br)cc2C#N)c1 229167064 DBJNKENGSNYADF-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cccc(C)c1Br 233162508 LVNLTTHOEYAPGX-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE CC[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1 233906049 VMANRYPZRNIIGR-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 250106289 DQTYJLYAOJCRSC-GJYPPUQNSA-N 306.796 5.038 30 10 DKEE CCCCCCCC(=O)c1c(Cl)cccc1Br 304332652 UQIBIGYEPNOBQD-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE C[C@H](O)c1ccc(C#N)cc1Sc1cc(Cl)cc(Cl)c1 312268958 PVJDNTSNFPEKGJ-VIFPVBQESA-N 324.232 5.070 30 10 DKEE C=CCC[C@H](NCCC)c1ccccc1NC(=O)OC(C)(C)C 406859740 RPTQPYOABGKBHE-INIZCTEOSA-N 318.461 5.041 30 10 DKEE C/C(=N\OC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 1857936579 TWFAGXGFTLAXFF-XQNSMLJCSA-N 319.379 5.356 30 10 DKEE C=CCn1c([C@H](C)Oc2ccc(C(C)C)cc2)nc2ccccc21 1873513732 MLARRUWHCWGNAE-INIZCTEOSA-N 320.436 5.486 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@H](C#N)C(C)(C)C)C(C)(C)C 1931998963 RUOVNBYWPAUCSH-AEFFLSMTSA-N 300.490 5.109 30 10 DKEE CCCCCCCC(=O)c1sc(CC)cc1Br 1942109312 NBIWYOMAQDIROR-UHFFFAOYSA-N 317.292 5.616 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2013162845 HCQOYPBXXMLXRO-NJDAHSKKSA-N 324.512 5.419 30 10 DKEE C=CCCCCCCCCNc1ccc(Br)cc1 2086278298 GTTMSZQCTNIEIA-UHFFFAOYSA-N 310.279 5.778 30 10 DKEE CC[C@@]1(C)CCSC(=Nc2ccccc2SC(C)C)N1 2158456656 FJNDIISBOBVLLS-INIZCTEOSA-N 308.516 5.070 30 10 DKEE CCN[C@H](C#C[Si](C)(C)C)c1cc(-c2cccs2)cs1 2164125834 VRQYOOCILZXHBQ-CQSZACIVSA-N 319.571 5.008 30 10 DKEE C=C1C[C@H]1C[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164167816 GUUYOXYEWYDSFI-ZFWWWQNUSA-N 303.858 5.295 30 10 DKEE CC#C[C@@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2164216461 ZMVCYYCITVFIRV-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1ccc(Cl)c(Cl)c1)C1CC1 2196849726 REOBRKQQSNCHKE-SUMWQHHRSA-N 310.268 5.084 30 10 DKEE C=C(c1ccccc1)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 2197142252 OBKFPSQWGVDFMJ-KRWDZBQOSA-N 307.220 5.304 30 10 DKEE CCC[C@](C)(C#N)Cc1c(Br)sc2ccccc12 2217955812 VIADUSXXGXTQRX-HNNXBMFYSA-N 322.271 5.536 30 10 DKEE C=C[C@@H](CCCCC)OCc1cccc(C)c1Br 2223285433 FEUQTYLXDHMYOC-HNNXBMFYSA-N 311.263 5.409 30 10 DKEE CCCCCCCCCCOC(=O)c1csc(Cl)n1 2231041223 AGVJGRKGLYANTJ-UHFFFAOYSA-N 303.855 5.094 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Cl)cc(F)c1F 2235542230 QILIQVSXNZOEHX-HNNXBMFYSA-N 302.792 5.568 30 10 DKEE CCCCCCCC[C@](C)(N)c1c(Cl)ccc(Cl)c1F 2240618884 YGDHAVLWMICMIV-INIZCTEOSA-N 320.279 6.057 30 10 DKEE C=CCCCCCCCSc1cc(Cl)nc(Cl)n1 2258975885 MATYDTCJQDAHKU-UHFFFAOYSA-N 305.274 5.402 30 10 DKEE C=CCCCCCCCSC[C@@H](NCC)c1cnsc1 2287191725 JFXPNNZPWQHTSN-MRXNPFEDSA-N 312.548 5.054 30 10 DKEE CCN1C(=CC=Nc2ccccc2)Sc2c1sc(C)c2C 2297730768 SSGHMYFVLSBEQG-UHFFFAOYSA-N 314.479 5.541 30 10 DKEE C=CCC(CC=C)Nc1ccc2ccccc2c1Br 2338729511 HGBCOMJNADLBLE-UHFFFAOYSA-N 316.242 5.535 30 10 DKEE C=CCCCCCC[C@H](O)c1c(Cl)cc(C)cc1Cl 2353087193 ZMGQKNJTUQUKFB-HNNXBMFYSA-N 301.257 5.862 30 10 DKEE C[C@H](/N=C/c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 8239459 IRDCFPHSHHGXIY-NEVFJRBMSA-N 301.861 5.364 30 10 DKEE N#Cc1ccc(Sc2ccc(F)c(F)c2)cc1C(F)(F)F 37380831 TUNNSHMCMFADFA-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE CC[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 37393266 FVMCVFKJRHRFBH-INIZCTEOSA-N 305.208 5.428 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCC[C@@H](CCC)CC1 86944005 OIRSHDKLQHFHIH-IAGOWNOFSA-N 303.515 6.126 30 10 DKEE CCCCCCCCN[C@H](C)c1ccccc1OCCCC 100048540 IASMRUWRRRKIHO-GOSISDBHSA-N 305.506 5.877 30 10 DKEE CCCCCCC[C@@H](C#N)Nc1ccc(Br)cc1 110028632 XUJNPWCVYAARPP-HNNXBMFYSA-N 309.251 5.114 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)c1cc(Cl)ccc1C#N 110258506 KRTHYWJSZMXNMR-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCC[C@@H](CN)c1ccc(Br)cc1 118846368 ITPFHPUSJXVMIM-HNNXBMFYSA-N 312.295 5.242 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(F)ccc1C(F)(F)F 164158553 LAXXHTLIJWTTOB-OAHLLOKOSA-N 303.343 5.242 30 10 DKEE Cc1cccc(C#N)c1Oc1ccc(Cl)cc1Br 221138890 ZIEZYJFRQSSCGE-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(Br)cc1Cl 229734887 GTMOBTUGHHBCQN-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(F)c(F)cc1Cl 231296884 CLMKCSSYVNHMNX-INIZCTEOSA-N 303.824 5.629 30 10 DKEE Fc1cc(Cl)ccc1OCC1(CS)CCCCCC1 381722887 JRNUFWQWKWYGBK-UHFFFAOYSA-N 302.842 5.128 30 10 DKEE CCCCCCCCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692346464 DPLDYHHPSFBFAN-LBPRGKRZSA-N 320.279 6.144 30 10 DKEE CCCCCCCC[C@](N)(CC)c1ccc(Cl)c(Cl)c1 704507670 MPRWVLBQMMMPLV-QGZVFWFLSA-N 316.316 6.308 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 709119729 UPEQNLBWDYQFNF-ZYHUDNBSSA-N 312.240 5.242 30 10 DKEE CC[C@H]1CCC[C@](C#N)(N(CC(C)C)C(=O)OC(C)(C)C)CC1 710764692 JIMOBCLQIRXMRG-LPHOPBHVSA-N 322.493 5.132 30 10 DKEE C=CCCC(C)(C)n1c(S)nc2cc(Cl)c(Cl)cc21 717666419 PSLZOZMOGRXHBK-UHFFFAOYSA-N 315.269 5.333 30 10 DKEE CC[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871421318 NGXORLYWLYSWFU-MXDDHBLUSA-N 322.404 5.097 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc([C@H](CC)NCCC)cc1 1914962257 NIVXXVLXLYNVRS-QFIPXVFZSA-N 322.496 5.330 30 10 DKEE CCCCCCCCC[S@](=N)(=O)c1ccccc1Cl 1917852947 RTUWWKNRHLBOPQ-IBGZPJMESA-N 301.883 5.496 30 10 DKEE CCCCCCC[C@H](O)c1scc(Br)c1C 1922984213 GARWYJIMZTZOKX-LBPRGKRZSA-N 305.281 5.213 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccc(F)cc2)s1)[Si](C)(C)C 1922986394 GQLGSZSQNAJYMS-INIZCTEOSA-N 306.478 5.021 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC12CCC2 1938737592 GEOUDAFJFDNKBZ-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(Br)cc1Cl 2009490043 PXHXLGRLZFGESQ-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCC#CC[C@H](NC)c1cccc(OCc2ccccc2)c1 2024384665 JBDBQZGNULLSIA-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(C)cc1Br 2085918186 XLGNFZNKULFPEX-MRXNPFEDSA-N 311.263 5.318 30 10 DKEE C=C(Cl)C[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2107918106 TZWPKHFVDCYLBF-ZDUSSCGKSA-N 312.265 5.472 30 10 DKEE CCCCCC#CCC[C@@H](NC)c1cccc(Br)c1 2138994865 VCSVIZVBPSTUBO-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1nc(Cl)cs1 2142453542 SCNSABWOPYVEOE-ZDUSSCGKSA-N 301.883 5.527 30 10 DKEE CCSc1cccc(N[C@@H](C)CSC(C)(C)C)c1C#N 2144716931 KEOCTZYUYUYAAS-LBPRGKRZSA-N 308.516 5.002 30 10 DKEE C#CC(C)(C)C[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2167610147 ULEGDOTUBVFCAE-CQSZACIVSA-N 304.842 5.151 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2cc3cscc3s2)C1 2168537474 ZXHCPVFBMCXYAC-GOEBONIOSA-N 305.468 5.106 30 10 DKEE C=CCCCCCC[C@H](CSc1ccc(Cl)cc1)NC 2206900300 SCCMDPWIHUAJKJ-MRXNPFEDSA-N 311.922 5.547 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1cc(C)c(Cl)s1 2206904299 ZTFXBMUBYWEPST-OAHLLOKOSA-N 313.938 6.277 30 10 DKEE C=CCCCCCC[C@H](O)c1scc(Br)c1C 2213776141 XPAKCGVGCXOYHW-ZDUSSCGKSA-N 317.292 5.379 30 10 DKEE CCCCCCCC[C@@](C)(O)c1occc1Br 2217293173 QLKYAHLWEDZXNA-CQSZACIVSA-N 303.240 5.000 30 10 DKEE C=C1CC([C@H](NCC)c2cc(Cl)c(Cl)c(Cl)c2)C1 2217667682 CCCRSRZTOWCRQQ-AWEZNQCLSA-N 304.648 5.264 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cc(Br)c(F)cc1Cl 2249414001 OUDCYUQEOMWVIO-MRVPVSSYSA-N 319.601 5.027 30 10 DKEE Cc1cc(Br)ccc1SCC1(C#N)CCCCC1 2256870208 VKFCZWQRQGYRCQ-UHFFFAOYSA-N 324.287 5.324 30 10 DKEE CCCCCCCC[C@@](C)(O)C(=O)c1cc(Cl)cs1 2274591831 JQAUNUOOOKZWKF-OAHLLOKOSA-N 302.867 5.086 30 10 DKEE CCCCCCCCC[C@@](C)(CSCC)OCCCN 2293457749 DADONRJGMUUIEX-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE CCCCCCCCCCOCc1ccsc1C(N)=S 2294737561 AVOLYZJJNJIVRW-UHFFFAOYSA-N 313.532 5.040 30 10 DKEE C#Cc1ccccc1N[C@@H](C)c1c(Cl)ccc(F)c1Cl 2365502070 YPWCNJOVHQYDRJ-JTQLQIEISA-N 308.183 5.287 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2370526940 YPINQNNJJDRTNX-DLBZAZTESA-N 314.300 5.945 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 14463776 MYQORDGLFQMFFD-JZWVFAODSA-N 322.411 5.538 30 10 DKEE CCCCCCC[C@@H](C)N[C@H]1CCSc2ccc(F)cc21 59427194 BBUYKGCSXJHSBY-PBHICJAKSA-N 309.494 5.701 30 10 DKEE COc1cc(C)c(Cl)c(C)c1C(=O)/C=C/c1ccc(F)cc1 83193227 MSKJWGZTYRESSJ-RMKNXTFCSA-N 318.775 5.001 30 10 DKEE CCCC(CS)(CCC)CN(CCC(C)C)C1CCCC1 94853866 GEFZMUWIWYYCFF-UHFFFAOYSA-N 313.595 5.794 30 10 DKEE CCCCCCCCCSCCCCCCCC(=O)OC 100687099 KOIAEPKOELHGSL-UHFFFAOYSA-N 316.551 5.984 30 10 DKEE CCCCCCCSc1cc(C)c2cc(C)cc(C)c2n1 102030506 SOUPUOTVKPIBJM-UHFFFAOYSA-N 301.499 6.223 30 10 DKEE Cc1ccc(Cl)c(Nc2ccc(Cl)cc2C#N)c1Cl 110251234 XILCHWXSOAABFM-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Br)cc1 112884964 BKGUYCONVAOLKN-INIZCTEOSA-N 313.279 5.623 30 10 DKEE CCCCCCCCCCCC[C@@H](CSC(C)C)NC 115644688 LTWVTWDQFSQFAU-SFHVURJKSA-N 301.584 6.027 30 10 DKEE C[C@@H](Nc1c(Cl)cc(F)cc1Cl)c1ccc(C#N)cc1 123147910 WUOOZNGTUSGXEU-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#Cc1ccc(Br)cc1Sc1ccccc1Cl 124351094 OLMSTAIEWHYVBJ-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCSc1cccc(Nc2c(Cl)cccc2Cl)c1C#N 136674227 ASHILWWOFKBFGQ-UHFFFAOYSA-N 323.248 5.721 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H]1CSc2ccccc21 140320013 NQMYNCFJXVSBIM-QZTJIDSGSA-N 305.531 5.605 30 10 DKEE Cc1cccc(/C=N\Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 169964006 VCDUDRAUSIGVPF-JAIQZWGSSA-N 321.449 5.181 30 10 DKEE CCCC#Cc1ccc(C#Cc2cc3ccccc3s2)s1 221657589 XLUGYAWFPJUJPO-UHFFFAOYSA-N 306.455 5.514 30 10 DKEE CC[C@@H](Nc1cc(Br)cc(C#N)c1)C1CCCCC1 227616127 IRVPWRUQVYRYKQ-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE C=CCCCCC[C@H](CSc1cccc(Cl)c1)NCC 233602371 KPXISFVMPIYEDY-MRXNPFEDSA-N 311.922 5.547 30 10 DKEE C=CCC(C)(C)CN[C@@H](Cc1cccs1)c1cccs1 312499555 WLGHHECKAMAORT-HNNXBMFYSA-N 305.512 5.285 30 10 DKEE CCCCCCC[C@H](O)c1ccc(F)c(Br)c1F 691584378 FGIQRCQISYHRFP-LBPRGKRZSA-N 321.205 5.121 30 10 DKEE CCCCOc1ccc(C#Cc2ccc(F)c(Cl)c2)cc1 725386354 HQTPCKXSDLVRTE-UHFFFAOYSA-N 302.776 5.058 30 10 DKEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)Cc1ccco1 1915089944 FQCMGPGOOFZXPX-UHFFFAOYSA-N 322.795 5.011 30 10 DKEE C=C(COCc1ccccc1)[C@H](C[C@H](C)CC(C)(C)C)NCC 1922080832 RHALUBSAHFJKIK-PXNSSMCTSA-N 317.517 5.200 30 10 DKEE C=CCCCCCC[C@H](COCc1ccccc1)NCCC 1934544684 KHXGPXOSVIMSLW-HXUWFJFHSA-N 303.490 5.098 30 10 DKEE N#CC1(Cc2ccc(Cl)cc2Br)CCCCC1 1941193130 LMTIJEYLZUZGQW-UHFFFAOYSA-N 312.638 5.119 30 10 DKEE C=C([C@H](NCC)c1cc(C)sc1Br)C(C)(C)C 1951108148 OMDZJQBTBMBKME-LBPRGKRZSA-N 316.308 5.072 30 10 DKEE C=C(COCc1ccccc1)[C@]1(O)CCCCC12CCCCC2 1979342187 DNCZMBAPZASLKV-OAQYLSRUSA-N 314.469 5.015 30 10 DKEE C=CCCCC[C@@H](N)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 1984514834 DUOBOBCWSGFUCN-MRXNPFEDSA-N 318.461 5.088 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccsc1Br 2005581787 BJURLICCIGIUBP-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE CCCC[C@@](C)(C#N)c1ncc(Br)c2ccsc12 2045987847 DIBNCOAPEHRTCY-AWEZNQCLSA-N 323.259 5.030 30 10 DKEE C[C@H](Nc1ccc(Br)cc1C#N)C1(C)CCCCC1 2101389170 JMAAQBVCIKBNOE-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=CCCCCCCCCNc1ccc(C)cc1Br 2142446818 QMKYTKDCZZZPFF-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE CCCCCCC[C@H](NCC)[C@@H](O)c1cc(Cl)sc1C 2154447345 OYLBZTTYXDMIIC-HOCLYGCPSA-N 317.926 5.082 30 10 DKEE CN[C@H](CC#CC(C)(C)C)c1cc(-c2cccs2)cs1 2164068966 FOMWWDIBQNZLRZ-CQSZACIVSA-N 303.496 5.177 30 10 DKEE C=C1C[C@@H]1C[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164165177 IMBHZGKJPNSYPV-DOMZBBRYSA-N 303.858 5.295 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1ccc(Cl)c(F)c1F 2176959868 RYFNXUZOPTXCKZ-LLVKDONJSA-N 301.808 5.261 30 10 DKEE C=C1CC(C[C@@H](Cc2cc(Cl)cc(Cl)c2)NCCC)C1 2203977644 NWEHXVXGCXSGON-KRWDZBQOSA-N 312.284 5.260 30 10 DKEE C=CCCCCCCCCOc1nc(Cl)ncc1Cl 2225691819 RDUFTZSLODXCSX-UHFFFAOYSA-N 303.233 5.079 30 10 DKEE CCCCCCCCCCNc1cc(Cl)c(N)cc1Cl 2234282574 NOBQGEAAOXIDQY-UHFFFAOYSA-N 317.304 6.128 30 10 DKEE C=C(C)CCCC[C@H](Cc1cc(Cl)ccc1Cl)NCC 2287411867 ZVJBXIIVEAKMQU-MRXNPFEDSA-N 314.300 5.651 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1cc2cscc2s1 2289683308 CTDWNJPUZLAOMC-HNNXBMFYSA-N 303.496 5.197 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2295244924 LAIHFTPIKXNYBK-NWDGAFQWSA-N 303.393 5.082 30 10 DKEE CC(C)(C)[C@](C)(CS)CSc1cc(Cl)cc(Cl)c1 2327090185 SGCMNWSQDUMKSV-CQSZACIVSA-N 323.354 6.068 30 10 DKEE CCC(=NOCc1cccc(Cl)c1)c1ccc(SC)cc1 2330290150 XPCMGTAEBLDNMT-UHFFFAOYSA-N 319.857 5.393 30 10 DKEE C=CC[C@@H](C)OC(=O)c1sc2cc(Cl)ccc2c1Cl 2335110555 LKEVIZYAMXRKBD-MRVPVSSYSA-N 315.221 5.330 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1ccc(C)c(Br)c1C 2338743086 BOELPRTVJDDRMF-QGZVFWFLSA-N 322.290 5.095 30 10 DKEE C=C(C)C[C@@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2341924095 SCLBLKWSLXUVBF-MRXNPFEDSA-N 324.306 5.363 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1ccc(Cl)cc1Cl)NC 2344350202 ZTFHNZNGVSFRKI-CVEARBPZSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(C(F)F)s1 2345157027 FDASAWKRGKKDMG-NSHDSACASA-N 309.853 5.960 30 10 DKEE CCCCCC#CC[C@H](O)c1cc(F)c(Cl)cc1Cl 2349797964 IGDUSSBAKXKAPL-HNNXBMFYSA-N 303.204 5.140 30 10 DKEE C=CC[C@H](CCCc1cc(Cl)cc(Cl)c1)CNCCC 2366897998 DIBMMVOODHSTOM-CQSZACIVSA-N 314.300 5.508 30 10 DKEE N#C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCC12CCC2 2366901358 XWGJQSUPSIGQRD-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1c(Cl)ccc(Cl)c1OC 2370521965 MVWKOZUKQKICJL-OAHLLOKOSA-N 316.272 5.255 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1cccc(Cl)c1Cl 37938126 PINCTPMZDMOKDO-CYBMUJFWSA-N 311.599 5.324 30 10 DKEE CCSc1ccc(C)cc1C(=O)/C=C/c1ccccc1OC 83193182 AFKHCLZNKVFSHK-ZHACJKMWSA-N 312.434 5.012 30 10 DKEE SCCCCCCCCCOCc1cccc(Cl)c1 97799833 RRMQDBWPBJLPHF-UHFFFAOYSA-N 300.895 5.517 30 10 DKEE CCCCCCCCC(=O)c1c(Cl)cc(Cl)cc1Cl 125720748 DNCMSAXMHYMZRG-UHFFFAOYSA-N 321.675 6.580 30 10 DKEE CCCCCCCCCC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 135408440 FWWMXIOLXFNHLB-LSDHHAIUSA-N 306.412 6.065 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Br)ccc1C 159151947 ASIIKKSUVUGSSM-INIZCTEOSA-N 312.295 5.508 30 10 DKEE CCCCCCCC[C@H](N)c1csc(Br)c1 161957826 WTCLGZDQUJHNRC-LBPRGKRZSA-N 304.297 5.261 30 10 DKEE CCCCCC/C=C/NC(=O)Oc1ccc(SC)c(C)c1 207027147 BEVZFVUCPBIJAT-FMIVXFBMSA-N 307.459 5.289 30 10 DKEE Cc1cc(C#N)cc(C)c1OCc1cccc(Cl)c1Cl 228814399 DUCWTFOXWJGDQP-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE CC1(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)CCCCC1 232829413 LYSUQDKWTHSEMP-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Cl)cc1Br 232946269 SPOPXPUUSLTNQB-CQSZACIVSA-N 318.686 5.463 30 10 DKEE CCCCCCCCCC[C@@H](N)CCOCc1ccccc1 395536951 TXLFGWIOXPAYQI-HXUWFJFHSA-N 305.506 5.451 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)cc1 407482897 MNLRGHRUALJNAO-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CCCCCCC[C@](C)(N)Cc1ccc(Br)cc1 704452305 BFGHQQSLSKLZTP-INIZCTEOSA-N 312.295 5.070 30 10 DKEE CC(C)c1ccnc(Nc2ccc(Cl)cc2Cl)c1C#N 1859831027 WKUQJRFXIFMXCY-UHFFFAOYSA-N 306.196 5.127 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H]1C[C@H](CCC)CC[C@H]1C#N 1986882832 LFDALOCRFAMIRQ-HLAWJBBLSA-N 310.485 5.173 30 10 DKEE C[C@H]1CC=C(C(=O)c2cccc(Cl)c2Br)CC1 2010610358 WEMPONWSDJTBAU-VIFPVBQESA-N 313.622 5.032 30 10 DKEE C#CC[C@@H](CNc1c(Cl)cc(Cl)cc1Cl)C1CC1 2076092439 OXAKFDGFPHKERG-JTQLQIEISA-N 302.632 5.108 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Cl)ccc1Cl 2102112417 SHQLTEHHUPXKGW-MLGOLLRUSA-N 300.273 5.636 30 10 DKEE CCCCCC1CC(Nc2cccc(Br)c2C#N)C1 2123472366 WUUIJHQAFILTDT-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CC1(CN[C@@H](C)c2ccccc2Br)CCCCC1 2132977392 MTNWGSFFHVJKMS-AWEZNQCLSA-N 322.290 5.236 30 10 DKEE CC[C@]1(C)CCSC(=Nc2c(C)cc(Cl)cc2Cl)N1 2136374896 PZHADVVJGWAHNN-CQSZACIVSA-N 317.285 5.185 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc(Cl)sc1C 2164151361 ZIJGPNCOGFSMDZ-INIZCTEOSA-N 315.954 6.501 30 10 DKEE CCCCCCCCCC[C@@H](N)c1snc(OC)c1Cl 2164489036 ZZYFPIFHPJXGMD-GFCCVEGCSA-N 318.914 5.336 30 10 DKEE C=CCC[C@@H](C)c1c(F)c(F)c(Br)c(F)c1F 2248030275 LIKWBYGAVNGSNS-ZCFIWIBFSA-N 311.116 5.075 30 10 DKEE CCCCCCCC[C@H](NC)c1ncc(C(C)(F)F)s1 2279194608 GQFJUIXXNYXAPD-LBPRGKRZSA-N 304.450 5.266 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)nc2Cl)CCCCC12CCC2 2286802991 PQENJBTZYRZRJI-INIZCTEOSA-N 309.240 5.185 30 10 DKEE CCCCCCC[C@@H](OCCC(=O)O)c1csc(Cl)c1 2290877211 PRXRLGNGHYFRMV-CYBMUJFWSA-N 318.866 5.294 30 10 DKEE O=C(C=Cc1ccc(-c2ccccc2Cl)o1)c1cccs1 2293038977 PGTGQXFQYUYEAC-UHFFFAOYSA-N 314.793 5.558 30 10 DKEE CCCCCCCCC[C@H](C)Nc1ccc(Cl)nc1Cl 2295674066 NMDGCSQMQKXTSS-ZDUSSCGKSA-N 317.304 6.330 30 10 DKEE C=CCC(CC=C)SCc1cc(Br)ccc1C 2298918760 YQCWGEZORLYYEW-UHFFFAOYSA-N 311.288 5.512 30 10 DKEE CCCCCCCC[C@@H](O)c1csc(C)c1Br 2303605419 UEQXHSMAHPXZHZ-CYBMUJFWSA-N 319.308 5.603 30 10 DKEE CCc1cccc(C)c1-n1c(C)cc(C=NC2CCCCC2)c1C 2313556174 PNZJKGQRDZBZQN-UHFFFAOYSA-N 322.496 5.717 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(F)c(Cl)c(Cl)c1 2352523116 DWNWZAHNPFYUIY-HNNXBMFYSA-N 306.252 5.667 30 10 DKEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1CNC1CCC1 2360732981 KVGWZEDUJGDGBC-ZDUSSCGKSA-N 309.906 5.347 30 10 DKEE Cc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)c(C)c1 52902329 QUIPHBGQCOTMKN-UHFFFAOYSA-N 310.447 5.214 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(OC)c(Cl)c1 59292601 CYCPPFQLSOLFIT-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE N#Cc1cc2ccccc2nc1Nc1cc(Cl)ccc1Cl 71389690 DPZMFBPIDROLJA-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCC1CCC(C#N)(Cc2ccc(Br)cc2)CC1 87959583 DPVRCAINUCSRHA-UHFFFAOYSA-N 320.274 5.492 30 10 DKEE CCCCCCCCCCNc1cccc(Cl)c1Cl 110159551 FIFRDEYNFROUNQ-UHFFFAOYSA-N 302.289 6.546 30 10 DKEE CCCCCCCC[C@@H](CSc1ccccc1Cl)NN 126970354 ZZAUMTGQGPRBNJ-AWEZNQCLSA-N 314.926 5.015 30 10 DKEE CCCCCCCCCC(=O)c1occc1Br 165688648 GMUPXBWTVOUQJJ-UHFFFAOYSA-N 301.224 5.366 30 10 DKEE CCCCCCC[C@@H](NCCC)c1occc1Br 166469778 JEGRBNPNSLXHDA-CQSZACIVSA-N 316.283 5.443 30 10 DKEE ON=Cc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1 250232583 BNCPDLMWKSBVMA-UHFFFAOYSA-N 316.571 5.247 30 10 DKEE N#CC1(c2ccc(OCc3ccccc3)c(Cl)c2)CCCC1 260708713 UJCMXHRWAGKPBJ-UHFFFAOYSA-N 311.812 5.254 30 10 DKEE C#CCCC[C@@H](NCCC)c1ccccc1OCc1ccccc1 380232496 YLLNVDIAXRAQRF-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)[C@H](C)CSC 383394266 VCTQJDTZSFRTGV-QZTJIDSGSA-N 301.584 5.885 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCC[C@@H](CC)C1 698403857 AMFZBMQZRFJFBY-YVSFHVDLSA-N 322.493 5.131 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 712571830 YNKRXTUFOJOWAX-CQSZACIVSA-N 305.771 5.366 30 10 DKEE N#Cc1cc(C(F)F)c2scc(SC(F)(F)F)c2c1 725291419 OSDBSGHPFUNNNK-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE Cc1ccc(/C(=N/OCc2ccccc2Cl)C2CC2)c(C)c1 821229134 LWKCJWJDHHZHKW-XUTLUUPISA-N 313.828 5.288 30 10 DKEE Oc1ccc(Cl)cc1C=Nc1cc(Cl)cc(Cl)c1 1531841446 GKAZVFMZGJIAFE-UHFFFAOYSA-N 300.572 5.103 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccc(Br)s2)cc1 1614755472 WQTNWYTWBCVGII-UHFFFAOYSA-N 319.267 5.208 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1F)c1ccc(C)c(C)c1 1857936096 SQFVTMBLKXRWKQ-DEDYPNTBSA-N 305.780 5.037 30 10 DKEE CC(C)N(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 1935518854 CASXQTAUPAUNDS-SLFFLAALSA-N 312.501 5.252 30 10 DKEE CCCCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 1990095244 ZYSZKHCMZDNGRZ-IBGZPJMESA-N 322.493 5.419 30 10 DKEE CCCCCC#CCOc1cc(Cl)ccc1Br 2024414268 YJRRCEXLAQRZFS-UHFFFAOYSA-N 315.638 5.065 30 10 DKEE CC1(C)CC[C@@H]([C@@H](C#N)Sc2ccccc2Br)C1 2037683975 WTQAJCDHHYRIKM-BXUZGUMPSA-N 324.287 5.260 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](C)c1ccc(Br)cc1 2045996699 DLWIAHPFSMJXNF-CZUORRHYSA-N 308.263 5.663 30 10 DKEE CC#CCCCC[C@H](NCC)c1scc(Cl)c1Cl 2075364436 XHOMXJIXNQOEQC-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C[C@@H](CC1=CCCCC1)Nc1cccc(Br)c1C#N 2105124352 JDRCGQKNYAKEJR-LBPRGKRZSA-N 319.246 5.012 30 10 DKEE C=CCCC[C@@H](Cc1ccc(C)c(Br)c1)NCCC 2116486261 NVFUHLKVHPIJKY-INIZCTEOSA-N 324.306 5.025 30 10 DKEE CCc1cscc1C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 2153584781 OPEDKNZCOAGEOK-JTQLQIEISA-N 324.232 5.107 30 10 DKEE CCCCCCC[C@@H](O)[C@H](NCC)c1cc(Cl)sc1C 2154425513 OLVGXSXTJCDBNI-GDBMZVCRSA-N 317.926 5.082 30 10 DKEE CCC1(OCc2cccc(Cl)c2Cl)CCC(=NO)CC1 2161474896 XNGDQWFELOWXOF-UHFFFAOYSA-N 316.228 5.063 30 10 DKEE C=CCSc1ccccc1NCc1cnc(C(C)C)s1 2170789109 XUVFKJAAYQPARK-UHFFFAOYSA-N 304.484 5.157 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1c(F)cc(F)cc1Cl 2184413123 BXHARVGPOSTNLV-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE CCCCCCCCN(C)C(=O)c1cc(S)ccc1Cl 2196701054 PDOUVNXFKQBVIW-UHFFFAOYSA-N 313.894 5.061 30 10 DKEE CC(C)C(C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)C 2203958902 WQWYHIWNADCPMU-CQSZACIVSA-N 312.240 5.098 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2204229190 CQAYOWODKHFMND-FZMZJTMJSA-N 316.272 5.255 30 10 DKEE C=CCCCCCCCCCC(=O)c1ccc(SC)s1 2207430392 UPIQLXJUNKARIO-UHFFFAOYSA-N 310.528 6.350 30 10 DKEE CCCCCCCC[C@@H](C)NC[C@@H](C)N(C)Cc1ccccc1 2212662706 URGYNKXDJDJCJB-WOJBJXKFSA-N 318.549 5.236 30 10 DKEE Cc1scc(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)c1C 2235754677 AGAHNDHXRHTTKS-LLVKDONJSA-N 324.232 5.162 30 10 DKEE C=C(F)C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2254717028 JLHIGQVQWRPTTE-OAHLLOKOSA-N 314.242 5.096 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281542266 ZYILWDRKKVLPPE-OAHLLOKOSA-N 316.272 5.399 30 10 DKEE C=CCCCCCCCSC[C@H](N)c1sc(C)nc1C 2287196537 UGHRFTQANMFEGG-HNNXBMFYSA-N 312.548 5.020 30 10 DKEE CCOc1ccccc1NC=CC(=O)c1ccc(C(C)C)cc1 2296876023 RLJFKMLKYDDKSH-UHFFFAOYSA-N 309.409 5.017 30 10 DKEE O=C1C(=Cc2ccccc2Br)CC[C@@H]1C1CCCC1 2297334088 AUZMOPKQJSJHMR-OAHLLOKOSA-N 319.242 5.002 30 10 DKEE CC[C@@H](C)c1ccc(O)c(N=Cc2cc(Cl)ccc2O)c1 2297708075 CANIIBAMLMDVPZ-LLVKDONJSA-N 303.789 5.015 30 10 DKEE C=CCC(CC=C)S[C@H](c1ccc(Cl)s1)[C@@H](C)N 2313528693 GSMJZFUJPZLIFR-YGRLFVJLSA-N 301.908 5.044 30 10 DKEE Cc1c(C[C@@]2(C=O)CCCCC23CC3)ccc(Cl)c1Cl 2364265304 IVJWDCGBIVQCLI-QGZVFWFLSA-N 311.252 5.384 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cccc(Cl)c1Cl 2365092365 CVZWDQFFRKDZPR-DOMZBBRYSA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1ncc(C(F)F)s1 2369581757 OZYGGANUPMLBJG-GFCCVEGCSA-N 303.418 5.421 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1c(Cl)ccc(Cl)c1OC 2370540353 NENAEFOPXYICPT-HOTGVXAUSA-N 316.272 5.255 30 10 DKEE Cc1ccc(/N=C(\OCc2ccccc2)c2ccccc2)cc1 5380312 SKOQROJBROLOTD-DQRAZIAOSA-N 301.389 5.290 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 14460222 DQTYJLYAOJCRSC-TXPKVOOTSA-N 306.796 5.038 30 10 DKEE COc1ccccc1S[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 41030611 QUSKROJXGAELCL-GRDNDAEWSA-N 303.471 5.142 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(C)c(C(C)(C)C)c2)cc1 83193437 LEMGMAPZBJUKFZ-GXDHUFHOSA-N 322.448 5.587 30 10 DKEE CC[C@@H](C)c1ccccc1OCC1(CS)CCCCCC1 94583189 PIXXMBFCBZCANN-MRXNPFEDSA-N 306.515 5.849 30 10 DKEE CCCCCCCOc1ccc(NC(=O)C2CCCC2)cc1 100455451 VLIXJXAJZMXDTN-UHFFFAOYSA-N 303.446 5.165 30 10 DKEE CC[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 109947514 SPQSJHPQLOAHTI-MRXNPFEDSA-N 323.198 5.567 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Br)cc1F 114874467 QNUDGDBWEBICQH-HNNXBMFYSA-N 317.242 5.372 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1sccc1Cl 127988199 HYYANSAMIJTSOD-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)c1cnsn1 143502071 WHZPSDQIXXNIQC-MRXNPFEDSA-N 311.539 5.500 30 10 DKEE O=C(/C=C\c1ccc2c(c1)Cc1ccccc1-2)c1cccs1 207351746 CEVZLOAMQXRRLN-NTMALXAHSA-N 302.398 5.215 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)c(F)c(Cl)c1 232035625 XGLYBHDBDIGGTI-ZANVPECISA-N 301.192 5.017 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Cl)ccc1Br 233122856 FBZKLPVROFIWQI-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)c(C)c2)c1 242963670 HKIXAGGLGRAPBH-UHFFFAOYSA-N 322.452 5.393 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccccc1OCc1ccccc1 310162432 QNWFXTJWAZPYJJ-OAQYLSRUSA-N 323.480 5.663 30 10 DKEE CCCCCCCCC[C@@H](N)c1coc(Br)c1 383336096 QYVRMDZOVJTGTE-CYBMUJFWSA-N 302.256 5.183 30 10 DKEE O=C(/C=C\c1ccccc1)c1cc(C(F)(F)F)ccc1Cl 642882776 MCKDOSNXJOXTFA-TWGQIWQCSA-N 310.702 5.255 30 10 DKEE CCCCCCC[C@H](NCC)c1ccsc1Br 698660533 GTHNRADFCHGCAT-ZDUSSCGKSA-N 318.324 5.522 30 10 DKEE C=CC(C)(C)CCN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 701891143 MYNIYUZDZKRJQE-CQSZACIVSA-N 314.256 5.009 30 10 DKEE CCCCCCCNCc1cccc(NC(=O)OC(C)(C)C)c1 709468898 DJTJEDNAOZXABA-UHFFFAOYSA-N 320.477 5.094 30 10 DKEE C=CCN(CC=C)/N=N/c1ccc(C(F)(F)F)cc1Cl 1860484659 YANYBQYWVXEICW-VHEBQXMUSA-N 303.715 5.032 30 10 DKEE CC(C)c1ccc(/C=C/C(=O)ON=C2CCCCCCC2)cc1 1860820199 CKGUWUIZYSEEIF-NTCAYCPXSA-N 313.441 5.467 30 10 DKEE C#CC[C@@H](C[C@@H](O)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887098277 KZVNLOZSKHWILM-GXFFZTMASA-N 317.643 5.120 30 10 DKEE CCCCCCCCCC(=O)CCCNCc1ccccc1 1915234540 ZBKFVOXPLPLOCQ-UHFFFAOYSA-N 303.490 5.266 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(C)sc1Br 1951108327 QEHWBUIOWSKNTI-CYBMUJFWSA-N 318.324 5.440 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc2ccccc2c1 1990864350 MPNVBSPKHGGHJM-UHFFFAOYSA-N 301.433 5.418 30 10 DKEE C=C1C[C@H]1C[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045721952 QWPFUXHQRFGWJV-JOYOIKCWSA-N 304.648 5.264 30 10 DKEE C=CCCCCCC[C@@H](O)c1cccc(F)c1Br 2085917154 NKTOZJDPIIZKSN-CQSZACIVSA-N 315.226 5.148 30 10 DKEE CC(C)C(C(C)C)[C@H](C)Nc1ccc(C#N)c(Br)c1 2087326555 DNIPRVWEFFGMHW-LBPRGKRZSA-N 323.278 5.049 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C#N)CCCCC12CC2 2117000582 JLBGDBZFMZMFNL-CXAGYDPISA-N 318.258 5.417 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1ccc(Cl)c(Cl)c1 2127974846 YITWNYFMXOZLGW-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(Cl)c(Cl)c1OC 2203430119 YYDBLTBXMPSHMC-MRXNPFEDSA-N 319.272 5.570 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2206800889 FLXNJVVYGWSVQQ-AWEZNQCLSA-N 308.771 5.753 30 10 DKEE CCC(=CC(=O)c1ccc(Br)cc1Cl)CC 2212311419 IAJZQSBOJNWZTG-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(C)c(C)c1Br 2215907015 FHZJBHABVFTWIE-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE C=CCCCCCCC[C@@](C)(O)c1cc(Cl)sc1Cl 2227287557 QBSKEWVQPOTWIH-OAHLLOKOSA-N 321.313 6.179 30 10 DKEE C=CCCCCCCCSc1nc(Cl)nc(Cl)c1C 2271488604 GBHRCVNGTUEXOZ-UHFFFAOYSA-N 319.301 5.711 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1snc(Cl)c1Cl 2271784392 FGDQJAFWEWRMIN-NSHDSACASA-N 321.317 5.627 30 10 DKEE Cc1cc(N=C2N[C@H](C(C)(C)C)CS2)c(Cl)cc1Cl 2277445009 LSICJWIRBUXIFT-LBPRGKRZSA-N 317.285 5.040 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCCC(C)(F)F)C1 2283694378 AANHJSAKBOJVLB-BFHYXJOUSA-N 303.462 5.510 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc(Cl)c(Cl)cc2C)C1 2286472287 GQIDOXVRWCRVAL-QGZVFWFLSA-N 312.284 5.699 30 10 DKEE C=C(C)CCCC[C@@H](N)c1c(Cl)cccc1C(F)(F)F 2287414146 OCLYBKBUSMEIRM-CYBMUJFWSA-N 305.771 5.495 30 10 DKEE C[C@H]1CCc2c(sc(N=CC=Cc3ccccc3)c2C#N)C1 2296737726 FGQLBGBXYBWIOX-AWEZNQCLSA-N 306.434 5.160 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1snc(Cl)c1Cl 2338745776 ZOZYXBZYPAPFTO-GFCCVEGCSA-N 319.301 5.259 30 10 DKEE CCCN[C@@H](C#Cc1cccs1)c1cc(Cl)ccc1Cl 2363537718 VXWQHILLJCCNFP-INIZCTEOSA-N 324.276 5.147 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1C 2364011166 QTXYIRZMHIYJOE-BBRMVZONSA-N 312.284 5.526 30 10 DKEE Cc1ccc(-c2c(C)sc3nc(C(C)C)c(CC#N)n23)c(C)c1 36256509 CKNLHTLWFMPTAI-UHFFFAOYSA-N 323.465 5.178 30 10 DKEE CCCCCCCCN[C@@H]1CCSc2ccc(Cl)cc21 59141732 XRHCARLWCCYXPE-MRXNPFEDSA-N 311.922 5.827 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)ccc1Cl 59291245 CHIGHCCVTIETMA-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE N#Cc1cccc(-c2csc(-c3ccc(F)c(Cl)c3)n2)c1 62938313 DYRIRZWPEHZDCS-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Sc1ccc(Cl)c(Cl)c1 88304095 FJUNYJHXLGFDCY-IINYFYTJSA-N 300.254 5.558 30 10 DKEE CCCCCCCCNCc1cccc(OC)c1O[C@H](C)CC 100048729 RAYGCOVBGMCJEJ-QGZVFWFLSA-N 321.505 5.323 30 10 DKEE CCCCCCCCCCCCCCCCNC(=O)CCC 100061222 XXGBVUBHLLDJQG-UHFFFAOYSA-N 311.554 6.384 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2cccc(C)c2)C1 110354713 XGRHXMAZAABOOI-SOLBZPMBSA-N 301.499 5.832 30 10 DKEE N#Cc1ccc(COc2cccc(Cl)c2Cl)c(Cl)c1 162975884 RWWXJMLVRSRXIC-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE C=CCCCO[C@H](CCCC)c1ccc(-c2ccccc2)cc1 206353959 HHUFXOHAQJGPSV-JOCHJYFZSA-N 308.465 6.568 30 10 DKEE Cc1ccc(Nc2cc(Br)cc(C#N)c2)c(Cl)c1 227607021 NSOISOFYQISKKR-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc2c(s1)CCSC2 233611177 RGMMNJCIICFGNW-OAHLLOKOSA-N 309.544 5.325 30 10 DKEE N#Cc1c(N=Cc2cc3ccccc3s2)sc2c1CCC2 252629008 TWRPZQUXXXIFES-UHFFFAOYSA-N 308.431 5.074 30 10 DKEE CCN(CC)c1ccc(C=Nc2cccc3ccccc23)cc1 254493275 MPNWLELOSMZVSR-UHFFFAOYSA-N 302.421 5.437 30 10 DKEE CCCCCCCCCCOc1ccc(C(C)=NO)c(O)c1 254632799 OHIORSVUWCEHNT-UHFFFAOYSA-N 307.434 5.110 30 10 DKEE Cc1nc(Oc2ccc(Cl)cc2Cl)c(Cl)cc1C#N 311598422 SJQACNCUKGBCKN-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE CC[C@@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698925400 YHSYIPRQTPJEQY-BEFAXECRSA-N 316.445 5.065 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(C)c(Br)s1 710646504 VMHOEDLHUVVYKS-JTQLQIEISA-N 322.699 5.002 30 10 DKEE C[C@H](COCc1ccccc1)C[C@]1(C#N)CCCc2ccccc21 719641401 YUDYOTAJIDTWOX-AVRDEDQJSA-N 319.448 5.027 30 10 DKEE CC(C)c1ccc(C#Cc2ccc(OC(F)(F)F)cc2)cc1 1614825820 SUYFKVAUCDPPFL-UHFFFAOYSA-N 304.311 5.108 30 10 DKEE CCCCC[C@H](CC)N(C)c1ccc(C#N)c(Br)c1 1879296425 ZLLKPRBRQWHHNE-AWEZNQCLSA-N 323.278 5.116 30 10 DKEE C[C@H](c1cccs1)N(CCCCCC#N)Cc1ccccc1 1915396826 LORAVHMEJKFHKF-QGZVFWFLSA-N 312.482 5.395 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(Cl)c(F)c1F 1923352447 UWDROWIACYACNK-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE N#CC[C@@H](c1ccccc1)N(Cc1ccccc1)C1CCCCC1 1946850825 IKIQUHJFPIOEIP-QFIPXVFZSA-N 318.464 5.476 30 10 DKEE C=C(F)C[C@H](NCCC)c1c(Br)sc(C)c1C 2011353911 JZUPVJBGANQHBE-NSHDSACASA-N 320.271 5.041 30 10 DKEE CSc1c(C(F)(F)F)ccc(C(F)F)c1C(F)(F)F 2060216458 STLHOODTLPHERE-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CCCCCCCC[C@H](NC)c1sc(Cl)nc1Cl 2086286248 RVCWOHDCKDVEHG-JTQLQIEISA-N 309.306 5.461 30 10 DKEE C=CCCCCCCCNc1cc(Cl)c(Cl)cc1Cl 2227270669 HQZGGHGYPRDOKT-UHFFFAOYSA-N 320.691 6.585 30 10 DKEE CC#CCCCC[C@@H](Cc1cccc(Cl)c1Cl)NCC 2235757422 LNNCRDJMMMKXEE-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE CO[C@@H](CSCC1(CS)CCCCCC1)C1CCCC1 2284027422 KKMFOKAZLCFQFY-INIZCTEOSA-N 316.576 5.195 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(C)c(Br)c1 2344337561 RODWHMBIBVXMNX-IAGOWNOFSA-N 324.306 5.401 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCCC)c1cc(C)cc(Cl)c1 2360208481 PFHFAQMGWAYDSV-RHSMWYFYSA-N 311.922 5.387 30 10 DKEE CCC[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 36972743 WXYZDBINCMEWKJ-KRWDZBQOSA-N 319.235 5.818 30 10 DKEE C=CCn1c(SCCCCC)nnc1-c1ccc(Cl)cc1 59883220 DFXIXNDUMBFJHG-UHFFFAOYSA-N 321.877 5.067 30 10 DKEE CCCCCCCCCCSc1nc2ccc(N)cc2s1 103480814 CAMOQGWMBQHZNV-UHFFFAOYSA-N 322.543 6.111 30 10 DKEE CCCCCCCCCOC(=O)Nc1nc2cc(C)ccc2[nH]1 105420924 CBNLCDWXYGWGQA-UHFFFAOYSA-N 317.433 5.170 30 10 DKEE CCCCCCCO[C@@H](CNC(C)C)c1ccccc1Cl 110067760 WFSOMOKDWPCNQO-SFHVURJKSA-N 311.897 5.366 30 10 DKEE Cc1ccc(C#N)c(Oc2cc(Cl)c(Cl)cc2Cl)c1 110259833 DZZOAWODGIJHNN-UHFFFAOYSA-N 312.583 5.619 30 10 DKEE CCCCCCCCCC[C@H](NCC)[C@H]1CSCCS1 122631350 PQMOTOANXDMBNN-DLBZAZTESA-N 317.608 5.344 30 10 DKEE CCC[C@@H](NCc1cccc(OCCCC#N)c1)c1ccccc1 171246171 BFRSTHWPCQPIJY-OAQYLSRUSA-N 322.452 5.000 30 10 DKEE Cc1cc(C#N)ccc1Nc1ccc(Br)cc1Cl 203438679 PHIMBDQPDYPIJX-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cccc(Cl)c1Nc1ccc(Br)cc1C#N 229174744 SKWHDYJIVFSDGJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCNc1ccc(CNC(=O)OC(C)(C)C)cc1 309693255 CJTPYWFURUUKEO-UHFFFAOYSA-N 320.477 5.094 30 10 DKEE CCCCCCCCCC[C@H](COCc1ccccc1)NCC 395506285 UQMHDLKJCFKLFB-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE CCCCCCCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 703716373 HBPUSYVXBPNIAW-UHFFFAOYSA-N 305.205 5.284 30 10 DKEE C=CCCCCCNc1ccc(OCc2ccccc2)cc1C 709151137 NJUXYCZAHSVDLL-UHFFFAOYSA-N 309.453 5.732 30 10 DKEE N#Cc1c(C(F)F)sc2cc(SC(F)(F)F)ccc12 725291433 PBBLWZBBZARDLJ-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE Cc1cc(C=Nc2ccc(F)c(Cl)c2)ccc1N1CCCC1 1084263882 GIRBNBKLPMFADE-UHFFFAOYSA-N 316.807 5.138 30 10 DKEE C=CCCCCC[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 1886357417 BUUKHVZOKPEQIL-INIZCTEOSA-N 301.257 5.728 30 10 DKEE C#CC[C@H](C[C@H](N)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887462554 AFJSNBBKGQLTTP-MFKMUULPSA-N 316.659 5.086 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1nc(Cl)cs1 1887973915 ZYCRPWAFQBEYQH-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)cc(F)c1F)[Si](C)(C)C 1922870920 WKOZCULMWXYEIZ-OAHLLOKOSA-N 317.883 5.093 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1scc(C)c1Br 1939864424 BODSLFYNLKGQIO-JTQLQIEISA-N 322.699 5.002 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Br)c(Cl)cc1F 1980397769 AVPUCZCEQHFEHD-MRVPVSSYSA-N 306.606 5.008 30 10 DKEE C#CCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2053266197 RIZCVXXZHCWEPP-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE Cc1cc(C(=O)C2=CCCCCC2)c(C)cc1Br 2081060904 HXTUKMVPMIUXNO-UHFFFAOYSA-N 307.231 5.139 30 10 DKEE C=CCCCCCC[C@H](N)c1cccc(Br)c1F 2085857107 VIACHZSWGFTFKF-AWEZNQCLSA-N 314.242 5.115 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(C)cc(Cl)cc1Cl 2136373667 DXHGCTINZWVOCW-CYBMUJFWSA-N 302.289 6.463 30 10 DKEE C=CCCCCCCCCC(=O)c1scc(Cl)c1Cl 2142391296 BOWFOPAWHPGTMF-UHFFFAOYSA-N 319.297 6.544 30 10 DKEE C=CC1(CN[C@@H](Cc2cccs2)c2cccs2)CCC1 2168008001 RHFKQHYYEZKHIW-HNNXBMFYSA-N 303.496 5.039 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1cc2sccc2s1 2206904220 YXHXWFTZSBXPHV-MRXNPFEDSA-N 308.468 5.092 30 10 DKEE C=CCCCCCCCC[C@@]1(O)CS[C@H](C(F)(F)F)C1 2207413497 KJLZDAPUIJOASO-KBPBESRZSA-N 310.425 5.092 30 10 DKEE CC1(C)CC(=O)C=C(c2cc(Cl)c(Cl)c(Cl)c2)C1 2217607306 BNUUPCXHDWSTGJ-UHFFFAOYSA-N 303.616 5.419 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc(Br)co1 2220083896 QSKMTVJVIBKSRY-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE CCCCCCCC[C@@H](C)Nc1c(F)cc(F)cc1Cl 2240654323 QMMKVUYWLLAKGJ-GFCCVEGCSA-N 303.824 6.169 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(F)c(Cl)cc1Cl 2240657545 MMOXTTLOHXGSMY-LBPRGKRZSA-N 320.279 6.684 30 10 DKEE CCC[C@H](CC)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2244771731 PXROZTQPBHGNQW-RDJZCZTQSA-N 316.445 5.147 30 10 DKEE CCCCCCC[C@H](OCCC(=O)O)c1ccsc1Cl 2290916750 CAANWQUFASCLDP-ZDUSSCGKSA-N 318.866 5.294 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340801717 QNKFBQGITVVECJ-IINYFYTJSA-N 302.220 5.139 30 10 DKEE COC1(CSC[C@@](C)(CS)C(C)(C)C)CCCCC1 2352097182 KAMODLGALWHOQF-OAHLLOKOSA-N 304.565 5.051 30 10 DKEE CCCCCCC[C@](C)(OCCCN)C1(Cl)CCCC1 2366309352 WGGAQUJSBCLTDV-INIZCTEOSA-N 303.918 5.023 30 10 DKEE C=C[C@@](C)(CCCc1cc(Cl)cc(Cl)c1)CNC1CC1 2366904585 UZFLBDUBQASERM-KRWDZBQOSA-N 312.284 5.260 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1cccc(C)c1)[C@@H]1CC=C[C@H]21 14480221 XLEMSSFYSAUHKR-WAOWUJCRSA-N 317.432 5.386 30 10 DKEE N#C[C@H](CCCc1ccccc1)c1ccc(Cl)cc1Cl 57686054 VVFMUCBPQDLQKB-AWEZNQCLSA-N 304.220 5.623 30 10 DKEE COc1ccccc1/C=C/C(=O)c1cc(C(C)C)c(OC)cc1C 83193348 STVMQPVUKDIPEL-ZHACJKMWSA-N 324.420 5.032 30 10 DKEE CCCOc1ccc(C)cc1C(=O)/C=C/c1c[nH]c2ccccc12 96887962 SXFKJPGPZPIBOU-MDZDMXLPSA-N 319.404 5.161 30 10 DKEE CCCCCCCCCOc1ccc(-c2cscn2)cc1N 103790169 DEIIDGCZGVFUMG-UHFFFAOYSA-N 318.486 5.522 30 10 DKEE Cc1ccc(Cl)c(Nc2ccc(C#N)cc2Cl)c1Cl 110251254 JTLWPLMIVLZJPP-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCCCC[C@@H](OC)OCCc1ccccc1 111905806 VTIBZGRHIAXWGL-FQEVSTJZSA-N 306.490 5.749 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Br)cs1 112537759 ZBMWDCMISZTGCV-GFCCVEGCSA-N 304.297 5.261 30 10 DKEE CCCCCCCCCC[C@H](CS[C@@H](C)CC)NCC 115645948 WXIVCWCSBGBCDD-ZWKOTPCHSA-N 301.584 6.027 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(C)c(Br)s1 126131399 IAVLLVYOTSMETD-GFCCVEGCSA-N 318.324 5.440 30 10 DKEE Cc1cc(Cl)ccc1Oc1cc(Br)cc(C#N)c1 227634095 PVEHAJPLTDOSHF-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC(=O)c1cc(Br)c(C)s1 227710167 HWXSTPGESXRXAE-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE CCCCCCCCOC(=O)c1cc(S)ccc1Cl 232956320 JNCFNSDHKAQIOD-UHFFFAOYSA-N 300.851 5.146 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(Cl)sc1Cl 232965006 OKILWBVMLJAAKU-NSHDSACASA-N 309.306 5.310 30 10 DKEE Cc1ccc(C=Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 254713522 DWBWHWMNZLLFNS-UHFFFAOYSA-N 312.372 5.554 30 10 DKEE CC(C)(C#N)Cc1cc(F)c(OCc2ccccc2)c(Cl)c1 260342468 CBQDPKBOGLFMKY-UHFFFAOYSA-N 317.791 5.150 30 10 DKEE N#Cc1ccc(F)cc1CSc1ccc(Cl)cc1Cl 322797062 QHFRVJNXAITMLO-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CCCC[C@H](C)NC1CC(c2cccc(Br)c2)C1 398152795 FABVLAKQGINTTH-KTAKPFMOSA-N 322.290 5.030 30 10 DKEE C=CCCCC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 405730833 UFUGJRCVQULBIA-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE C=CCCC[C@@H](NCC)c1cccc(NC(=O)OC(C)(C)C)c1 406816174 JISXXHTWVKDWMW-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE Cc1cc(Br)c(Cl)cc1Nc1ccccc1C#N 697696318 ILGGCRFOJOEWKC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CC[C@H](C)C(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 715703389 HBEQXUWUJOLWLV-NSHDSACASA-N 323.820 5.082 30 10 DKEE C=CCN(C(=O)C1CCCCC1)C1CCC(C(C)(C)C)CC1 1860017541 HSLYSASQFDGCKV-UHFFFAOYSA-N 305.506 5.186 30 10 DKEE C=CCNCC(=C)c1cc(Cl)c(Cl)c(Cl)c1Cl 1943960637 IJQVTCLHIMUTQG-UHFFFAOYSA-N 311.039 5.089 30 10 DKEE Cc1ccc(N(Cc2ccccc2)CC2CCCCC2)c(C#N)c1 1946760017 JNSFEORPKOPTNQ-UHFFFAOYSA-N 318.464 5.454 30 10 DKEE C=C1CCC(C[C@H](CCCOCc2ccccc2)NCC)CC1 1976714605 GKCAVGSBKYEFSU-NRFANRHFSA-N 315.501 5.098 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@](C)(C#N)C1(C)CCC1 1981364239 BEHJZPPJZKJWFL-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=CCCCCCCNCCCCCN(C)Cc1ccccc1 1995170112 YNQJUNPRGNHISH-UHFFFAOYSA-N 316.533 5.015 30 10 DKEE C=CCC[C@@H](C)[C@@H](O)c1cc(Cl)c(C)cc1Br 1996464253 QIKLPQKQFUJYOQ-YMTOWFKASA-N 317.654 5.047 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cc(C)cc(C)c1C 2024055414 NMBGJQGLEIIJDH-JOCHJYFZSA-N 323.480 5.035 30 10 DKEE CCCCC#CCNc1cc(Br)c(Cl)cc1C 2024348126 YJDFBSBQZRYUPJ-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC1(C)C 2032104683 QPPURDPWNIDRBJ-WBMJQRKESA-N 306.247 5.273 30 10 DKEE C=C1CCC(CCC(=O)c2ccccc2Br)CC1 2050516748 ASFCMSWZJXLOGU-UHFFFAOYSA-N 307.231 5.158 30 10 DKEE C=CCCCCC[S@@](=N)(=O)c1ccc(Cl)c(Cl)c1 2073737547 BIMDJMBKSZBWJW-GOSISDBHSA-N 306.258 5.145 30 10 DKEE C=C(C)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC(C)C)cc1 2081084697 RVFQMJLYILQSHG-QGZVFWFLSA-N 319.445 5.006 30 10 DKEE C=CCCCCCOc1ccc2ccc(Br)cc2c1 2142500238 CXYZLEIFTHKSBZ-UHFFFAOYSA-N 319.242 5.728 30 10 DKEE C[C@@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)c2ccsc2S1 2152742467 CYJUESIKVIPYCT-OTYXRUKQSA-N 320.870 5.311 30 10 DKEE C[C@@H]1C[C@](C#N)(C[C@@H]2CCC[C@H](C(F)(F)F)C2)CCS1 2159721846 WKUDCCSZXVZHOU-MQYQWHSLSA-N 305.409 5.171 30 10 DKEE CC1(C)CC=C(C(=O)COc2ccc(Cl)cc2Cl)CC1 2181637838 HMWDUIKVICZIRI-UHFFFAOYSA-N 313.224 5.078 30 10 DKEE C=CCCCCCCCC[C@@]1(O)CS[C@@H](C(F)(F)F)C1 2207413498 KJLZDAPUIJOASO-KGLIPLIRSA-N 310.425 5.092 30 10 DKEE CCCCCCCCC[C@@H](C)N(CCCN)Cc1ccccc1 2246053561 MLRUIXTWNCCVSC-HXUWFJFHSA-N 318.549 5.367 30 10 DKEE CC1CC2(C1)CC(C#N)(Sc1ccccc1Br)C2 2254138531 VRAZZAYMSNTITE-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE C=C(C)CCCCC(=O)c1c(F)ccc(Br)c1F 2259237449 BTXBPBUUPPCHLR-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE CN(CCCCCCCS)Cc1cc2sccc2s1 2277508965 VBBILODBJISGRE-UHFFFAOYSA-N 313.557 5.275 30 10 DKEE CCCCCCCCNCc1cc(Cl)c(OC)cc1Cl 2281566012 SNNDOXXKDSALEW-UHFFFAOYSA-N 318.288 5.452 30 10 DKEE FC1(F)C[C@@]1(CS)CSc1ccc(Cl)c(Cl)c1 2306940059 AJLCIXIJVLLGKZ-SNVBAGLBSA-N 315.237 5.041 30 10 DKEE CCOc1ccc(Cl)cc1C=CC(=O)c1ccc(C)cc1C 2322572955 ZFGOGHVJOXYSNT-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C=Cc1ccoc1 2333257319 UTIGHTZWXIGRIJ-GNBUJSLZSA-N 300.442 5.062 30 10 DKEE C=CC[C@H](C)SC[C@@H](NC)c1c(Cl)ccc(F)c1Cl 2335103955 SWKFBCUAJNKOSG-JOYOIKCWSA-N 322.276 5.091 30 10 DKEE C=CC[C@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341123565 WYGOTBRDUKNYHQ-LRDDRELGSA-N 300.273 5.116 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2362235042 KCSKSWVUKKGQMM-JOYOIKCWSA-N 315.200 5.058 30 10 DKEE C=CC1(C[C@H](NCCC)c2cc(OC)c(Cl)s2)CCC1 2365807264 GUSLUWJOEODSRB-LBPRGKRZSA-N 313.894 5.197 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 2370618605 OPSYNWCPJQQZAT-KBPBESRZSA-N 306.755 5.385 30 10 DKEE C=C(C)COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 14784381 NIOMFRNOKZXMNP-UHFFFAOYSA-N 309.409 5.017 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 37938212 DTTMCFQVZBYDFQ-CQSZACIVSA-N 310.706 5.036 30 10 DKEE N#Cc1cc(Nc2cccc(Cl)c2Cl)nc2ccccc12 68772107 WRNUUVCXJHNHKS-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCCCC[C@H](Cc1cccs1)NCCC 109740638 VKRKOAOEJKDREP-GOSISDBHSA-N 309.563 6.190 30 10 DKEE Cc1cc(Br)ccc1Oc1cc(Cl)ccc1C#N 110521640 LTVMFHXBJYYZMZ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCC[C@H](O)c1ccccc1OC(F)F 115651237 SHYOLVQGQWITPW-HNNXBMFYSA-N 300.389 5.462 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1cccc(Cl)c1 121984645 QDMUWSWTGYZREQ-GOSISDBHSA-N 310.913 5.765 30 10 DKEE CCCCCCCCCC[C@H](NCC)[C@@H]1CSCCS1 122630797 PQMOTOANXDMBNN-IRXDYDNUSA-N 317.608 5.344 30 10 DKEE CCCCCCCCC[C@H](O)c1cscc1Br 130899436 ZLKYIAJHAIJERA-AWEZNQCLSA-N 319.308 5.685 30 10 DKEE CCSc1cccc(SCc2cc(C)cc(C)c2)c1C#N 136998907 OQCHBBWVTGALPF-UHFFFAOYSA-N 313.491 5.579 30 10 DKEE CCCCCCCCCCCCc1ccc(N)c([N+](=O)[O-])c1 138935993 NIVIDLVBSALQMX-UHFFFAOYSA-N 306.450 5.640 30 10 DKEE CCCCCCCCCCN[C@H]1Cc2ccc(Cl)cc2C1 158928677 MWMNAXKQKYAXDX-IBGZPJMESA-N 307.909 5.538 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(Br)c(Cl)c1 167682224 LMIOPHWLJPDERG-CQSZACIVSA-N 316.670 5.109 30 10 DKEE Cc1ccc(Cl)c(Oc2cccc(Br)c2C#N)c1 168627562 WEZLJXSJYFXVPX-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(Cl)ccc1OC 229276393 XRGBAPVYANMGED-QGZVFWFLSA-N 312.881 5.913 30 10 DKEE C#C[C@H](CCC)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 229908423 NBCSKYWRKZJXDD-NXEZZACHSA-N 304.648 5.099 30 10 DKEE CCCCCCCCOc1cccc(C=O)c1Br 314948117 BWTZTWAAJSQQIQ-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE C=CC(C)(C)CNc1ccc(Br)cc1C(F)(F)F 384878159 SXBQXNBZCZTKMB-UHFFFAOYSA-N 322.168 5.092 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(C)cc1O 387941240 AGWSLLZPNVPMJS-UHFFFAOYSA-N 305.462 5.560 30 10 DKEE CCCCCCCCCCCCNCCOCc1ccccc1 390072435 NBJFOQVKVCIUIN-UHFFFAOYSA-N 319.533 5.714 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(C)c(Br)c3)C[C@@H](C1)C2 700365225 IJGVEIOYASWXHH-MZBDJJRSSA-N 320.274 5.304 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@](C)(C#N)CC1CCCCC1 712385958 KTNRJPYCKWRWBO-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Cl)cc1C(F)(F)F 712560891 AKSZGWNCTDWPBX-AWEZNQCLSA-N 307.787 5.719 30 10 DKEE CC/C(=N\OCc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 821221362 UDNKSZJOZWHUSI-ZBJSNUHESA-N 313.416 5.454 30 10 DKEE CCCCCCCCCCCC(=O)NCc1cccc(C)c1 1865984991 SQEYKSCLEJTFCG-UHFFFAOYSA-N 303.490 5.532 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2ccccc2n1 1866144611 PHOVAVGOYMXZEY-UHFFFAOYSA-N 312.457 5.105 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)CC1(CS)CC1 1915087054 QHHQSQWNELTZHO-HNNXBMFYSA-N 317.523 5.021 30 10 DKEE CCCCCCC[S@](=N)(=O)c1cc(Cl)cc(Cl)c1 1917917195 LLEMDMXFCHCQOQ-SFHVURJKSA-N 308.274 5.369 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)c1c(C)cc(C)cc1C 1922090689 BOBNZYQZXZUXGN-QFIPXVFZSA-N 323.480 5.035 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1ccccc1OCc1ccccc1 1996708895 FLPKWTGNEPWYMR-TZIWHRDSSA-N 321.464 5.273 30 10 DKEE C#CCCCC[C@H](NCCC)c1cc(Cl)sc1Cl 2053240551 OFPIGTWIKPSPME-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE CCc1ccc(-n2nc(C3CCCCC3)c(C#N)c2Cl)cc1 2080381440 SAIKRAQMIHXYKD-UHFFFAOYSA-N 313.832 5.007 30 10 DKEE C=CCSc1ccccc1NCc1ccc(SC)s1 2093181897 ATEOEDYLPOQPPC-UHFFFAOYSA-N 307.509 5.360 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 2096542418 MTEOTUNXIOFNGF-MNOVXSKESA-N 304.236 5.528 30 10 DKEE C=C(C[C@H](NCCC)c1cccc(Br)c1)C(C)(C)C 2113412201 BDACKNKBWYKJTB-INIZCTEOSA-N 324.306 5.482 30 10 DKEE C=CCCCCCC[C@H](NN)c1ccc(Cl)cc1Cl 2141914455 RNYIUQNNESWJIC-HNNXBMFYSA-N 301.261 5.024 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2c(Cl)cncc2Cl)CC1 2157115240 UKNVGKFRZBEJOA-INIZCTEOSA-N 311.256 5.431 30 10 DKEE CCCC1CCC(C#N)(C(F)(F)[C@@H](F)C(F)(F)F)CC1 2175178179 YQGZWBKHYJZYIU-HSOILSAZSA-N 301.274 5.022 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 2181261705 KVEIFIGZQVQDCR-SNVBAGLBSA-N 300.345 5.228 30 10 DKEE C=C1CC(C[C@@H](N)c2ccc(-c3ccccc3Cl)s2)C1 2182176147 YOIUYYRSOGOACK-OAHLLOKOSA-N 303.858 5.425 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1c(Cl)cccc1Cl 2203822635 KSFCRLREFTUBTL-MRXNPFEDSA-N 312.284 5.618 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1 2207429047 FIUAWWCCVVXYPG-QGZVFWFLSA-N 315.284 6.334 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2225676516 ZITOVQSBVRSHHV-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1 2227282881 LOAXMBBCFLGDFE-INIZCTEOSA-N 300.273 5.910 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235756383 JJQPZKCOFFWWLE-DGCLKSJQSA-N 312.240 5.242 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@H](NC)c1cscc1Cl 2240642210 JVROWEOVSIZBGL-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(Cl)c(Br)c1 2250181675 PYZCTMZUNCEYED-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE C=C1CCC(COCc2cccc(Br)c2C)CC1 2256341014 QTQBJXGIIXRNCQ-UHFFFAOYSA-N 309.247 5.021 30 10 DKEE Brc1cccc(C#CCC2CC(=C3CCC3)C2)c1 2264176405 CGCPPVMXRMLIJF-UHFFFAOYSA-N 301.227 5.081 30 10 DKEE CC(C)CCC[C@@H](C)CCC1(C#N)CCC2(CC1)OCCO2 2272285243 YXSDGZVQFHKPIX-QGZVFWFLSA-N 307.478 5.056 30 10 DKEE SCCCCCCCSCCCCCCCC1CC1 2277506039 JGOYFKIJUGYRSD-UHFFFAOYSA-N 302.593 6.351 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(Br)cc1CC 2321175425 VVSUYKYMDINBFG-MRXNPFEDSA-N 309.247 5.187 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1c(Cl)ccc(Cl)c1F 2344340522 SEYMDRCKYCWVKM-CABCVRRESA-N 304.236 5.385 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(Br)ccc1C 2344344077 GXQXVLOJZASOAG-SJORKVTESA-N 324.306 5.401 30 10 DKEE C=CCCCCCCCSc1nnc(Cl)c2c1CCC2 2363187388 VYKSXPYEBZDJOE-UHFFFAOYSA-N 310.894 5.237 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1cc2sccc2s1 2364089267 LFKRJDQUPBYLAA-KRWDZBQOSA-N 305.512 5.772 30 10 DKEE CC[C@]1(C)N(CCCCCCCCCS)CCC1(F)F 2365842035 DTWNWWDTLQKXIH-HNNXBMFYSA-N 307.494 5.157 30 10 DKEE CC(C)(C)[C@H]1CC[C@H]1COCCCCCCCCCS 2369118237 GWXCSMXGCWFCKK-IRXDYDNUSA-N 300.552 5.736 30 10 DKEE CSc1scc(-c2cc(Cl)cc(Cl)c2)c1C#N 124979 WGONNJUSDZIEGO-UHFFFAOYSA-N 300.235 5.315 30 10 DKEE Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1F 296919 PXLANMMICOQCNE-OEAKJJBVSA-N 319.379 5.464 30 10 DKEE C[C@H](Nc1ccc(CC#N)cc1)c1c(Cl)ccc(F)c1Cl 37071436 XUFAUMSHZUNWLX-JTQLQIEISA-N 323.198 5.372 30 10 DKEE CCCN[C@@H](C)c1cccc(SCCCC(C)(C)C#N)c1 87607229 XKMUEHFJAPRDLI-HNNXBMFYSA-N 304.503 5.169 30 10 DKEE Cc1cc(OCC2(CS)CCCCCC2)cc(C)c1Cl 94584455 DBGPCWKVQXPMAN-UHFFFAOYSA-N 312.906 5.606 30 10 DKEE CCCCCCCCNCc1ccc(O[C@H](C)CC)c(OC)c1 100048778 GTDWXLBAVZAUBZ-QGZVFWFLSA-N 321.505 5.323 30 10 DKEE CCCCCCCNc1c(C)cc(Br)cc1OC 103993895 LXPHXEYWMWIWEN-UHFFFAOYSA-N 314.267 5.148 30 10 DKEE C=CCSc1ccccc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 109900858 ZCLWNHPEQRQLIR-ZACQAIPSSA-N 301.499 5.736 30 10 DKEE CCCCCCCCCC[C@H](CCCc1cccs1)NN 122676925 DBYTZUMGTLDGKR-QGZVFWFLSA-N 310.551 5.434 30 10 DKEE C=CCN(CCCCCCCCCCCC)Cc1ccccc1 140900144 KUWQHTJLKIQXQU-UHFFFAOYSA-N 315.545 6.596 30 10 DKEE CCCc1c(-c2cc3sccc3s2)sc(C#N)c1N 156496691 IKHWHKRKZCAZRC-UHFFFAOYSA-N 304.465 5.098 30 10 DKEE CCCCCCCCCn1ccc2c(OC)cc(OC)cc21 169870273 HVMKXCCVTRUMSB-UHFFFAOYSA-N 303.446 5.409 30 10 DKEE N#Cc1cccc(CSc2cc(Cl)ccc2Cl)c1F 222342207 MYVYSVKOOAHKHU-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1sccc1C)N2 226654733 RDFUTLUEYRFDJM-GJYPPUQNSA-N 323.461 5.448 30 10 DKEE CCCCCCCCCCC[C@H](O)c1cc(C)c(Cl)s1 226682705 ZDPCGMAOQNRTGV-HNNXBMFYSA-N 316.938 6.664 30 10 DKEE Cc1ccc(Nc2ccc(Br)cc2C#N)cc1Cl 229164554 OPKVOQQBCLVJDU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1sccc1Cl 229286375 IPQLGUGUHGVMLA-INIZCTEOSA-N 316.938 6.746 30 10 DKEE C=CCCCCCNc1cc(Cl)c(C)cc1Br 235782582 AAZHXZBYNMSOMS-UHFFFAOYSA-N 316.670 5.569 30 10 DKEE N#Cc1c(N=Cc2c[nH]c3ccccc23)sc2c1CCCCC2 254350583 NVGSYAGWFGOCKX-UHFFFAOYSA-N 319.433 5.121 30 10 DKEE N#Cc1cc(F)ccc1Nc1ccc(OCc2ccccc2)cc1 310206368 UBJAWYKKZTZMID-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1cc(Cl)cc(C(F)(F)F)c1 695858703 IZRJXPFDXBNQRC-SECBINFHSA-N 304.743 5.099 30 10 DKEE C=C(C)CSc1nc(-c2ccc3c(c2)CCCC3)cs1 1860797060 PFBGUUQRUZDOCI-UHFFFAOYSA-N 301.480 5.357 30 10 DKEE CCCCCCCCCOC[C@H](NCc1ccccc1)C1CC1 1915168208 RYTBKZUZASXTGJ-NRFANRHFSA-N 317.517 5.322 30 10 DKEE CCCCCCC[C@H](N)c1cccc(Cl)c1Br 1948979423 NFJTWSDIHPUVLS-ZDUSSCGKSA-N 318.686 5.463 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)C[C@]1(C=O)CCCC(C)(C)C1 1980273071 AGPLCJHJZGYPKZ-RXVVDRJESA-N 315.501 5.073 30 10 DKEE C=CCCCCCC[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 1995169081 MFXGOCUQCOQQGF-LJQANCHMSA-N 320.477 5.054 30 10 DKEE C=CCCCCCC[C@@H](N)c1csc(Br)c1 1995178755 XTVOYPQECGPYQQ-GFCCVEGCSA-N 302.281 5.037 30 10 DKEE CCc1ccc([C@@H](CC)n2nc(C3CCCCC3)cc2C#N)cc1 2070086208 AWOJNENDMVZSNH-OAQYLSRUSA-N 321.468 5.364 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](c1ccc(C)cc1)C(C)C 2070170537 NTKKVCFMQXDNBC-NRFANRHFSA-N 306.453 5.076 30 10 DKEE Cc1c(Nc2ccccc2C#N)ccc(Br)c1Cl 2082802199 NFWRVUGTODCNGC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC[C@](C#N)(C(C)C)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2127930744 KJUKJNLUZWKTBQ-KGLIPLIRSA-N 320.647 5.256 30 10 DKEE C=CC[C@H](C)[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2139133594 YINLSKRFNGKADS-LRDDRELGSA-N 300.273 5.116 30 10 DKEE C[C@@H]1CCC[C@](C#N)(Cc2csc(-c3ccsc3)n2)C1 2144694583 KVTGKEFCEADJSS-MLGOLLRUSA-N 302.468 5.134 30 10 DKEE CCSc1cccc(NCc2cc(C)c(Cl)s2)c1C#N 2165376975 YQNQYBCHONADQT-UHFFFAOYSA-N 322.886 5.306 30 10 DKEE CCCCCC#CC[C@H](NCCC)c1scc(C)c1Cl 2203807432 NBGPXMVXNVZVAB-HNNXBMFYSA-N 311.922 5.724 30 10 DKEE C=CCCCCCCCCC[C@H](NN)c1cscc1Cl 2207433735 ACDZZKODNDFQQZ-INIZCTEOSA-N 314.926 5.603 30 10 DKEE CCCCCCCC[C@@](C)(CN)N(Cc1ccccc1)C1CC1 2212637263 CKXUAQFERNPDJY-NRFANRHFSA-N 316.533 5.119 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(C)c(Cl)cc1F 2234745075 FAEHBENSOVUTNE-QGZVFWFLSA-N 300.845 5.962 30 10 DKEE C=CCCCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2237797884 OMYIBVYKRWRCEG-QGZVFWFLSA-N 315.284 6.118 30 10 DKEE CCCCCCCC[C@@H](N)CCCC(F)(F)C(F)(F)F 2240470468 HVIIRDIEQRQJPQ-GFCCVEGCSA-N 303.359 5.432 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)CC1(C)CC1 2281272820 PHQFVXKDKOAXMT-HXUWFJFHSA-N 301.540 5.754 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCCC(F)(F)F)C1 2283694449 ARFWCBXDZIQUMM-UPJWGTAASA-N 307.425 5.417 30 10 DKEE N#Cc1cc(F)c(Cl)cc1SCC1CC(C(F)(F)F)C1 2287312546 GLEMTTLUYNVJMI-UHFFFAOYSA-N 323.742 5.031 30 10 DKEE C=C(C)CCCCC(=O)c1c(Cl)cccc1C(F)(F)F 2287376252 CZIAYANRCYJUSN-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2295006838 QZFVHQZQEZMNMH-GXFFZTMASA-N 305.409 5.328 30 10 DKEE C=CCC(C)(C)C(=O)c1c(Br)ccc(Cl)c1F 2304043743 NDNQGMCZTUYZHS-UHFFFAOYSA-N 319.601 5.027 30 10 DKEE C=CC[C@@H](C)SCc1nc(Cl)c2c(C)c(C)sc2n1 2335212935 VJOQHSNFXATFEB-MRVPVSSYSA-N 312.891 5.159 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2365819343 NZAHMLZOEDSUIY-ZDUSSCGKSA-N 317.926 5.811 30 10 DKEE C#CCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366806502 UIFDPMSZDBMBNZ-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2370541579 XJWIQOWKYVAKTD-IRXDYDNUSA-N 314.300 6.027 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](SCc2ccccc2)C1 37154327 HOVMEOIHYLVTKJ-FGTMMUONSA-N 301.499 5.664 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 37937251 LFVVHVGHIYGUJG-CQSZACIVSA-N 311.599 5.324 30 10 DKEE N#CC[C@H](Sc1cccc(Br)c1)c1ccccc1 55307786 JXRLFBRICFQCNQ-HNNXBMFYSA-N 318.239 5.196 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@H](O)c2cc(Cl)cs2)CC1 93097292 AYTLTXLBXNVETO-OFWKBQFLSA-N 311.878 5.181 30 10 DKEE CCCCCCC[C@H](C)N[C@H](c1cccs1)C1CCCC1 109892537 MNFKNGGZZDOWLE-LPHOPBHVSA-N 307.547 6.318 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)ccc1Cl 115062773 FKJXNYPMAGAOLS-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE CCCCCCCC[C@H](O)CCCCCOCc1ccccc1 140248469 LLDREJIKMBWFPC-NRFANRHFSA-N 320.517 5.875 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(F)ccc1C(F)(F)F 164186632 PEIMGQKPESNHCM-HNNXBMFYSA-N 303.343 5.242 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)c(OC)cc1Cl 166945678 PQRREOBCMQUNPB-AWEZNQCLSA-N 305.245 5.396 30 10 DKEE CC(C)(C)c1ccc(Sc2nccc(C#N)c2Cl)cc1 232559586 CWCFVLOLOTZKBZ-UHFFFAOYSA-N 302.830 5.055 30 10 DKEE CCCCCCCC[C@H](N)c1cccc(Br)c1F 232953778 CODFQEHFOOUPMF-AWEZNQCLSA-N 316.258 5.339 30 10 DKEE C(=Nc1ccc(-c2ccccc2)cc1)c1ccc2ncccc2c1 254597557 JCZGVFVWPUQVMZ-UHFFFAOYSA-N 308.384 5.652 30 10 DKEE N#C[C@H](CCC1CCCCC1)Nc1ccccc1Br 395213827 LMQMMAMFEVRJBM-AWEZNQCLSA-N 321.262 5.114 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 398150078 DEEBMYXCHSWWBM-WBMJQRKESA-N 300.273 5.779 30 10 DKEE Cc1ccc(C#N)c(Oc2cc(Cl)cc(Br)c2)c1 698004052 YFEZMYWPBMBMSD-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCSc1ccc(/C(C)=N/OCc2ccccc2Cl)cc1 1857936809 HQUGWEKJFLGPBN-CPNJWEJPSA-N 319.857 5.393 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC2(CCCCC2)C1 1912691778 YTVCSCRVVQLTJK-OAHLLOKOSA-N 320.477 5.029 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CCC)C(C)C 1922072652 WSOKTHPVLQXJDW-RTWAWAEBSA-N 317.517 5.200 30 10 DKEE C=C([C@H](NCCC)c1ccc(Br)s1)C(C)(C)C 1947454878 STQUBJGWGLQJOW-ZDUSSCGKSA-N 316.308 5.154 30 10 DKEE CCCCCCC[C@H](O)Cc1cccc(Br)c1C 2027160445 QNZLANJAEYETII-HNNXBMFYSA-N 313.279 5.021 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cc(Cl)sc2Cl)CC1 2061171879 SZNGYQKZEUTWKJ-SECBINFHSA-N 303.254 5.620 30 10 DKEE N#Cc1cc(Br)cc(NCCC2CCCCCC2)c1 2089231712 QWLHXWTXFBNDEU-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1ncc(Cl)s1 2142432683 CAUOVGCQVLRVDT-ZDUSSCGKSA-N 300.899 5.493 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H](O)c1cc(Cl)cs1 2148584615 XSRPICRBKRCIPM-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE C=CC1(C[C@@H](NCC)c2csc(C(F)(F)F)c2)CCC1 2168023478 MELCPCUHQCNPES-GFCCVEGCSA-N 303.393 5.164 30 10 DKEE C=CCCCCCC(=O)c1ccc(C(F)(F)F)cc1Cl 2179264539 SVYKEJBTHIVLSZ-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE C=CCCCCCCCC[S@](=N)(=O)c1ccccc1Cl 2207378196 RKLAQBISTIRPNI-FQEVSTJZSA-N 313.894 5.662 30 10 DKEE C=CCCCCCCCC[C@@]1(N)CS[C@H](C(F)(F)F)C1 2207434883 FCNYPIMNZYKWHD-KBPBESRZSA-N 309.441 5.059 30 10 DKEE C=CCCCC[C@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1C 2211835616 RBJHRTHQJRYWTH-KRWDZBQOSA-N 319.445 5.122 30 10 DKEE C=CCCCC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2234035528 MKLAIIOMKVXNIF-MRXNPFEDSA-N 314.300 5.651 30 10 DKEE C=CCCCCOC[C@H](NCC)c1cc(Cl)ccc1Cl 2234041421 JJRMPYHYYKWIPB-INIZCTEOSA-N 316.272 5.017 30 10 DKEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(C#N)cc2Cl)c1 2237994854 JCCUCFDNVPCCQK-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=CCCCCCCCSc1ccc(C(C)=O)cc1Cl 2287075416 MTMSOERLFKAUAY-UHFFFAOYSA-N 310.890 6.161 30 10 DKEE C=CCCCCCCCSCc1sc(=NCC)[nH]c1C 2287189639 PEZTYVVSBOQECX-UHFFFAOYSA-N 312.548 5.065 30 10 DKEE C=CCCCCCCC[C@H](OCCN)c1cscc1Cl 2292644607 BLQNYUAIWOLHPL-INIZCTEOSA-N 315.910 5.335 30 10 DKEE Cc1ccc(NC=CC(=O)c2cccc3ccccc23)cc1Cl 2297534691 LKJBIKBIGSQZKW-UHFFFAOYSA-N 321.807 5.610 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1ccc(C(F)(F)F)c(Cl)c1 2364036430 XMNLUCGCIFKDBB-CQSZACIVSA-N 304.739 5.161 30 10 DKEE C=C[C@](C)(CNC1CCC1)Cc1cc(F)c(Cl)cc1Cl 2377366622 VCOONHWMRKFJCV-INIZCTEOSA-N 316.247 5.009 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(Br)cc2)C1 37156673 KBPXEUQUZIZTRY-YWPYICTPSA-N 324.287 5.260 30 10 DKEE Cc1cc(C)c(C[C@H](C#N)c2c(F)cccc2Cl)c(C)c1 57760672 YJVPXBLSCCTVKQ-CQSZACIVSA-N 301.792 5.254 30 10 DKEE CCCCCCCOCC(=O)c1ccc(Cl)cc1Cl 59526161 GOBQHBMDKMTKGE-UHFFFAOYSA-N 303.229 5.163 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2c(Cl)cccc2Cl)CC1 91880812 HABUNIHKJVBJGF-YWCUFVOSSA-N 312.240 5.137 30 10 DKEE CCCCCCC[C@@H](NCCC)c1nc2c(s1)CCCC2 109690601 WFHCFNPAVGHWCQ-MRXNPFEDSA-N 308.535 5.423 30 10 DKEE CCCCCCCC[C@H](Cc1c(Cl)cccc1Cl)NC 109733271 RLUXACCAGCDNQN-CQSZACIVSA-N 316.316 5.875 30 10 DKEE CCCCCCCCOc1ccc([C@H](C)NCC)cc1Cl 110365266 OKGYCNOFUVOQQY-HNNXBMFYSA-N 311.897 5.750 30 10 DKEE COc1ccc(C#N)c(N[C@H](C)c2ccc(Cl)cc2Cl)c1 126570117 SZQHDWHHVVPNTM-SNVBAGLBSA-N 321.207 5.047 30 10 DKEE CCCCCCC[C@@H](O)c1cc(C)c(Br)s1 126763785 KXQKWZJGIKITLN-LLVKDONJSA-N 305.281 5.213 30 10 DKEE CCC[C@@H]1CCCN(c2cccc(SCC)c2C#N)CC1 136671142 VOVQGZPRAOSBCA-OAHLLOKOSA-N 302.487 5.077 30 10 DKEE CCCCCCCCCCNc1ccc(Br)nc1 232921022 ADDLVPSMOWJSBT-UHFFFAOYSA-N 313.283 5.397 30 10 DKEE C=C(Br)COc1ccc(-c2ccccc2)cc1Cl 385715291 LUNCETAFKXZBNM-UHFFFAOYSA-N 323.617 5.294 30 10 DKEE CCCCCCCC[C@H](COCc1ccccc1)NCCC 395552473 AFUTZXAZIRTKKZ-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE N#CC1(CNc2cc(Cl)c(Cl)cc2Cl)CCCC1 405146693 AVNDUUQURXNUOS-UHFFFAOYSA-N 303.620 5.143 30 10 DKEE Fc1cccc(-c2ccc(OC(F)F)cc2C(F)(F)F)c1F 1848362974 KFHDWNWQJYORQS-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE CCCCCCCCNC(=O)C[C@@H](C)c1ccc(Cl)cc1 1868189441 QIPGZUJXEVXMQE-OAHLLOKOSA-N 309.881 5.310 30 10 DKEE C=CCCCCCCC(=O)c1sccc1Br 1995169007 LJSJEGWHRXFFRS-UHFFFAOYSA-N 301.249 5.220 30 10 DKEE CCCC[C@@](C)(C=O)Cc1ccc(Br)cc1Cl 2000482740 GPYQVDCISITYNX-CQSZACIVSA-N 317.654 5.040 30 10 DKEE C#C[C@H](N[C@H](C)c1cc(Cl)sc1Cl)C1CCCCC1 2138969250 CSZHHYMFKZHZFP-MFKMUULPSA-N 316.297 5.288 30 10 DKEE SCCCCCCCCCSc1ncc2sccn12 2139854349 WTUFUCTUGNHTHJ-UHFFFAOYSA-N 314.545 5.148 30 10 DKEE C=CCCCCCC[C@H](NN)c1c(Cl)cccc1Cl 2141917780 YWVAVWANBOTVCH-AWEZNQCLSA-N 301.261 5.024 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1ccc(Cl)s1 2148581193 DDCYBOKGPXMRIE-CZUORRHYSA-N 317.926 5.164 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2158320372 LFMSCKGLRYBBLD-CXAGYDPISA-N 314.300 5.506 30 10 DKEE C=CC1(CN[C@H](Cc2cccs2)c2cccs2)CCC1 2168008002 RHFKQHYYEZKHIW-OAHLLOKOSA-N 303.496 5.039 30 10 DKEE CCCCCCCCN(C)[C@@H](c1ccc(Cl)s1)[C@H](C)N 2196735761 ACVUPIXIKOUPFR-XJKSGUPXSA-N 316.942 5.082 30 10 DKEE N#C[C@H](C(=O)CCC1CCCC1)c1cc(Cl)cc(Cl)c1 2203955652 BVBQRQLLWAHXJE-HNNXBMFYSA-N 310.224 5.140 30 10 DKEE CCCCCCCC[C@@H](C)N(CCC(=O)O)Cc1ccccc1 2212666924 HWZKODWWPZCTET-GOSISDBHSA-N 319.489 5.102 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc2c(s1)CCSC2 2235527210 SPELFAFAAIWGRG-HNNXBMFYSA-N 309.544 5.454 30 10 DKEE C[C@H](Nc1ccc(Cl)cc1C#N)c1cc(F)cc(Cl)c1 2238017373 DGCKREKWNVSPTE-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1scc(Br)c1Cl 2242661948 QKDBOKQCWGCPTN-LDYMZIIASA-N 322.699 5.027 30 10 DKEE C=C([C@H](N)c1cc(Br)cc(C(C)C)c1)C(C)(C)C 2254713913 GKBZTMMDAKVIIH-HNNXBMFYSA-N 310.279 5.175 30 10 DKEE C=CCCCCCCCSc1c(N)cc(N)c(Cl)c1F 2287183261 SYGVHSOWHQCSRG-UHFFFAOYSA-N 316.873 5.262 30 10 DKEE CCCCCCCCCCC(=O)c1sc(Cl)cc1OC 2295779956 BXDHLDTYHPNKEV-UHFFFAOYSA-N 316.894 6.124 30 10 DKEE Cc1sc(NN=CC=Cc2ccccc2)nc1-c1ccccc1 2297454071 GGZSZJTUSVPRCE-UHFFFAOYSA-N 319.433 5.230 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1cc(C)ccc1C 2322614534 RGEDOCQKPWPURW-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE C[C@@H]1CCCC[C@@]1(C#N)Cc1cc(F)c(Cl)cc1Cl 2349797435 PUIIJGRHUSWCPE-BMIGLBTASA-N 300.204 5.395 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(F)c(Cl)c(Cl)c1 2352383188 LSMGCLVHRIPAKV-CQSZACIVSA-N 306.252 5.754 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2366407213 PAEUXZRPEFCSQY-OAHLLOKOSA-N 318.263 6.049 30 10 DKEE Fc1ccc(C(=N/Nc2ccccc2)/N=N/c2ccccc2)cc1 5483141 IHGJDEDZGVMUGG-IEDQNEBGSA-N 318.355 5.383 30 10 DKEE Cc1ccccc1/C=N/c1ccc(Br)c(Cl)c1 59458876 RKZBGSVZHANNGH-RQZCQDPDSA-N 308.606 5.162 30 10 DKEE C/C(=C/C(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 104045183 GAINXKLXTLABTA-LUAWRHEFSA-N 306.192 5.192 30 10 DKEE CCCCCCCCCCCCSc1ccc(CO)cc1 130410848 OGIAPSWAMGYQBP-UHFFFAOYSA-N 308.531 6.192 30 10 DKEE CCCC(CCC)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 211823902 MXAVPEOWXKVKOZ-ZDUSSCGKSA-N 312.240 5.386 30 10 DKEE N#Cc1ccc(Oc2ccc3ccccc3c2)cc1Br 228200433 MFEFTGLFIZAYQC-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE N#Cc1ccc(Nc2ccc(Br)cc2)c2ccccc12 232485829 SFVBVSFRCZAKEX-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE Cc1ccccc1C=Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1 254826758 ZMPRLQTVIWRJEA-UHFFFAOYSA-N 316.360 5.321 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1ccsc1Cl 312542999 VOMZGLJCRLLLJZ-OAHLLOKOSA-N 301.927 6.322 30 10 DKEE CSc1ccc2c(CC#N)csc2c1SC(F)(F)F 725318239 ALADKPCAZXQPFK-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(C(C)=O)c(Cl)c1 1914549095 XWYIEOMOGJCWAX-UHFFFAOYSA-N 313.828 5.125 30 10 DKEE CCCC1CCC(C#N)([C@@](C)(O)c2csc(Cl)c2)CC1 1921096338 XARQLPKOQZCQRS-NRAUKZCXSA-N 311.878 5.109 30 10 DKEE C=C(C)CN(CCCCCOC(C)(C)C)Cc1ccccc1 1957761864 JPUSSIPXJVQLSE-UHFFFAOYSA-N 303.490 5.050 30 10 DKEE CC=C(CC)C(=O)[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1991998534 KXIJANRXFSUNJP-ZDUSSCGKSA-N 317.429 5.063 30 10 DKEE CCCC[C@](C#N)(CC)Cc1csc(Br)c1 1994465130 KAMMCSOIERQMNA-CYBMUJFWSA-N 300.265 5.163 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 1996710602 UILIVGZENNOBOE-IFMALSPDSA-N 321.464 5.273 30 10 DKEE C=C(Cl)CC[C@H](NCCC)c1ccc(Br)cc1 2003684856 XIBDLVPSJJMGBZ-AWEZNQCLSA-N 316.670 5.023 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCC[C@H](C)C2)c1Br 2027611961 WGHFGQXGRGVLCZ-BLLLJJGKSA-N 306.247 5.020 30 10 DKEE C=CC[C@H](CC)n1c(S)nc2ccc(Cl)c(Cl)c21 2041695658 VVBLVPRGOXKBJG-QMMMGPOBSA-N 301.242 5.159 30 10 DKEE C[C@@H]1CC=C(C(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 2060911970 BILXISRNLTWFOC-MRVPVSSYSA-N 303.616 5.576 30 10 DKEE CCCCC[C@H](CC)Oc1ccc(Br)cc1C#N 2086284222 FEAVLYPTZZVCFM-AWEZNQCLSA-N 310.235 5.058 30 10 DKEE C#CCCCCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2141400816 MGVAOTNKCIIOID-LLVKDONJSA-N 318.675 5.491 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccc(Cl)o2)C1 2145636705 NQZIXWPKZYBHEV-SCRDCRAPSA-N 311.878 5.521 30 10 DKEE CCCCCCCCC[C@H](O)[C@H](NC)c1cscc1Cl 2148348278 XJMOEDYMFAYPBM-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE CC1(C)CCC[C@](C#N)([C@](C)(O)c2csc(Cl)c2)CC1 2157110278 DYYVXZSCUCKNCP-CVEARBPZSA-N 311.878 5.109 30 10 DKEE C#CCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2173490050 HKSRVSCGRHZVIW-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200836464 PFOSRLIKSXOXLG-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203976206 MYKSUHKJVFANBF-IINYFYTJSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCCC(=O)c1cc2cscc2s1 2207425840 VJEUFGRZZXSVMB-UHFFFAOYSA-N 306.496 6.452 30 10 DKEE CCCCCCCCCCCCOCC=CBr 2216931701 HMRFQOGHTGQYOR-UHFFFAOYSA-N 305.300 5.833 30 10 DKEE C=CCCCCCCCC(=O)c1ncc(C)cc1Br 2227282191 VESQQILRIBILEY-UHFFFAOYSA-N 324.262 5.252 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc2c(s1)CCSC2 2235527211 SPELFAFAAIWGRG-OAHLLOKOSA-N 309.544 5.454 30 10 DKEE C=CCCCCCCC[C@@H](N)c1csc(C(F)(F)F)c1 2235531851 DSLNEXIGFGUQAQ-CYBMUJFWSA-N 305.409 5.683 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1ccsc1Cl 2240666334 LVQAAHWAMDYENX-GOEBONIOSA-N 317.926 5.164 30 10 DKEE C=CCCCSCc1cc(Cl)c(C)c(Br)c1 2244559515 NGQBVMXMSBBEJO-UHFFFAOYSA-N 319.695 5.610 30 10 DKEE C=C(C)C[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2254726735 NAXOFSIRVYRQPZ-INIZCTEOSA-N 310.279 5.189 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cnccc1Br 2264154857 DSVLPYHGRFAJQA-CYBMUJFWSA-N 313.283 5.395 30 10 DKEE C=CCCCCCC[C@@H](N)c1sc(C(F)(F)F)cc1C 2295062161 LAVFFZBHOJGIOY-GFCCVEGCSA-N 305.409 5.602 30 10 DKEE COc1c(Cl)cc(C=NNc2ccc(C)c(C)c2)cc1Cl 2322922524 LVBBMMGRONFSJA-UHFFFAOYSA-N 323.223 5.065 30 10 DKEE C=CC(C)=CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@@]21C(=O)O 2333273620 VLQWZUQLAWRAFU-UWVAXJGDSA-N 302.458 5.372 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(Cl)c(Cl)c2C)C1 2364002536 SUJOXSRXKUIMMQ-DYVFJYSZSA-N 310.268 5.955 30 10 DKEE CCCCCCCCCCCCc1ccc(CCCCO)cc1 100304018 MFZMCLYASDLCLA-UHFFFAOYSA-N 318.545 6.465 30 10 DKEE CCCCCCCc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 100845078 QKOIQRNRJSPLDA-UHFFFAOYSA-N 324.420 5.231 30 10 DKEE C=C/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCCC 104899494 MNOQVNSRLYAHLG-AEULXZPHSA-N 304.518 6.753 30 10 DKEE biogenic CCCCCCCCCCCC(=O)Nc1ccccc1CC 108550219 SYSIBIHYVBWBBA-UHFFFAOYSA-N 303.490 6.108 30 10 DKEE CCCCCCCCCSc1nc(N)c2ccsc2n1 110521930 VZTKZUSPNAVSRN-UHFFFAOYSA-N 309.504 5.116 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 135408418 FWWMXIOLXFNHLB-HUUCEWRRSA-N 306.412 6.065 30 10 DKEE CCCCCCCC[C@H](O)c1cccc(C)c1Br 232925426 KKKOZRDTUZEYKW-HNNXBMFYSA-N 313.279 5.542 30 10 DKEE N#Cc1cc(Cl)nc(Sc2cc(Cl)cc(Cl)c2)c1 302639360 FPXIUPJAIXMGFL-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE C=CCCC[C@@H](NCC)c1ccccc1OCc1ccccc1 382020322 XRRDOGCMYNYFTI-HXUWFJFHSA-N 309.453 5.273 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1 1874623819 WYAINNACJNVXGD-NTCAYCPXSA-N 316.400 5.525 30 10 DKEE C=CCC(CC=C)[C@H](N)c1cccc(OCc2ccccc2)c1 1901009265 NIQZDOKUWVFMCL-NRFANRHFSA-N 307.437 5.034 30 10 DKEE CCCCCCCC[S@@](=N)(=O)c1ccc(Cl)c(Cl)c1 1917895710 YDKIEEJWXVDROT-LJQANCHMSA-N 322.301 5.760 30 10 DKEE N#C[C@@H](CN(Cc1ccccc1)CC1CCCCC1)C1CCCC1 1946757149 RJQLXNIHFJFNDB-QFIPXVFZSA-N 324.512 5.399 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)[C@H](C)CC 1995320207 RSSOFKRIQVWCDB-OAQYLSRUSA-N 315.545 6.594 30 10 DKEE C=CCCCCCCC(=O)Cc1ccc(Br)cc1 2085850533 WOWXLUGJCABBCN-UHFFFAOYSA-N 309.247 5.087 30 10 DKEE CCCCCCCCC[C@H](O)C(=O)c1ccsc1Cl 2090887346 PFNDHYBMKDZZFP-ZDUSSCGKSA-N 302.867 5.086 30 10 DKEE C=C([C@@H](NCCC)c1ccc(C)cc1Br)C(C)(C)C 2096621007 KKIWWNRVIRUATD-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE CCCCCC#CCOc1cc(C)c(Br)c(C)c1C 2139052948 PELZBLPINQTPNQ-UHFFFAOYSA-N 323.274 5.337 30 10 DKEE CCCCCCCCCC(=O)c1cc(C(F)(F)F)cs1 2164000970 RYQMOGDPAXEWBJ-UHFFFAOYSA-N 306.393 6.090 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Cl)c(Cl)s1 2220094313 UZLMZLWNFULLON-LBPRGKRZSA-N 307.286 6.005 30 10 DKEE CCCCCCCC(=O)[C@](C)(O)c1cc(Cl)cc(Cl)c1 2237889333 FGFIKGOTZVAILS-MRXNPFEDSA-N 317.256 5.131 30 10 DKEE N#Cc1sccc1CSc1ccc(Cl)cc1Cl 2252637789 JLALMZIJAOVHTD-UHFFFAOYSA-N 300.235 5.219 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Cl)sc1Cl 2259196815 PJEVRGPUQTYSKM-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE C=C[C@H](CCCCC)OCc1c(F)cccc1Br 2261000922 VTXZOGXGFIRQKF-GFCCVEGCSA-N 315.226 5.240 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(C)nn(CC)c1Cl 2281390070 YTHWGYMZWYZIBS-CQSZACIVSA-N 300.874 5.039 30 10 DKEE Cc1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 2293689652 AURREQSNPUNPHF-UHFFFAOYSA-N 313.400 5.471 30 10 DKEE O=C1C(=Cc2ccccc2Br)CC[C@H]1C1CCCC1 2297334087 AUZMOPKQJSJHMR-HNNXBMFYSA-N 319.242 5.002 30 10 DKEE CC1(C)C[C@](CCN=Cc2ccccc2)(c2ccccc2)CCO1 2297748018 YOJQZXNBEFAKNG-JOCHJYFZSA-N 321.464 5.023 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1cccc(Br)c1 2344395167 ICNQLQHFEILQSI-DLBZAZTESA-N 324.306 5.482 30 10 DKEE Cc1ccsc1/C=C1/CC/C(=C\c2sccc2C)C1=O 214429 XKCBZCGKBJNAPF-ZKLMZBBOSA-N 300.448 5.256 30 10 DKEE N#C[C@H](C(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 37345360 DSQSFADTURNQFA-NSHDSACASA-N 324.594 5.137 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)ccc1Cl 59291242 CHIGHCCVTIETMA-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2cccc(Cl)c2Cl)CC1 91881566 VKTFFDGERIIPPV-CQSZACIVSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccc(C)cc1 108448298 HKILKBHRGRGTBA-UHFFFAOYSA-N 303.490 5.532 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Br)ccc1F 109773515 HLSBTNZHERANLQ-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE CCCCCCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1 130218106 OFKGFTFKAXICDY-MRXNPFEDSA-N 317.304 5.639 30 10 DKEE CCCCCCCC[C@@H](CCCc1cccs1)NCCC 140284201 SOCNLKCEBSHMFQ-SFHVURJKSA-N 309.563 6.190 30 10 DKEE CCCCCCCCNCc1ccc(F)cc1Br 160921224 GFUZXHQNWKKBFP-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE CCSc1cccc(NCC2CCC(CC)CC2)c1C#N 167590142 ORAVFEXZGZFADL-UHFFFAOYSA-N 302.487 5.299 30 10 DKEE N#C[C@@H](CN(Cc1ccccc1)Cc1ccccc1)C1CCCC1 306665764 YMQKBPJSZCIKEZ-QFIPXVFZSA-N 318.464 5.019 30 10 DKEE C=C1CCC(COc2cc(Cl)cc(Br)c2)CC1 724573395 MOMNGPGVKGNQBS-UHFFFAOYSA-N 315.638 5.228 30 10 DKEE FC(F)(F)c1ccc(Cl)c(C#Cc2ccccc2Cl)c1 1614826796 SOFNZAYPLHAHJB-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE C/C(=N\OCCCc1ccccc1)c1ccc(C(C)(C)C)cc1 1857935438 IYVWMRKXRZQBMY-OQKWZONESA-N 309.453 5.358 30 10 DKEE N#C[C@]1(Cc2cc(Cl)cc(Cl)c2)CCCC(F)(F)C1 1893176483 UWWIPBSLXJQLEV-ZDUSSCGKSA-N 304.167 5.255 30 10 DKEE CC(C)[C@@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1901678776 RDUUOQPMFFDQRT-BEFAXECRSA-N 322.493 5.131 30 10 DKEE CCCCCCC[C@@](C)(O)c1cscc1Br 1919892670 ITZGDNQJFDIRDV-CYBMUJFWSA-N 305.281 5.079 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CCC)CC(C)C 1922071341 JSXHQJDGKYVTEC-NHCUHLMSSA-N 317.517 5.200 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1cc(Br)c(Cl)s1 1978520487 UJZIBMBVYIFRAM-LDYMZIIASA-N 322.699 5.027 30 10 DKEE C=CCCCCC(=O)c1cccc(F)c1NC(=O)OC(C)(C)C 1984512988 YIUITVJPLKBRHU-UHFFFAOYSA-N 321.392 5.102 30 10 DKEE Cc1sc(C(=O)C2=CCCCCCC2)cc1Br 2000170151 FRQUNYMJBBXSKJ-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)c(C)c1 2085843586 CZQXCFFMUJULPJ-INIZCTEOSA-N 310.279 5.284 30 10 DKEE C=CCCCCCCCC[C@H](O)c1ccoc1Br 2086281962 CATNHGZSGVNJQD-AWEZNQCLSA-N 315.251 5.382 30 10 DKEE Cc1c(Br)cccc1C(=O)C1=CC[C@H](C(C)C)CC1 2125179781 DXFHSVQYBZULTL-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE CCCN[C@@H](CC#CC1CCCCC1)c1cscc1Cl 2149871168 QMOYRYVZHVACJK-KRWDZBQOSA-N 309.906 5.416 30 10 DKEE C=C1C[C@H]1C[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164169227 SOFFPQKFFQURPN-DZGCQCFKSA-N 303.858 5.295 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1ccc(Cl)cc1Cl 2173630923 ZBYZGSCDSBLYER-GOEBONIOSA-N 312.240 5.137 30 10 DKEE C=C1CC(C[C@@H](O)c2ccc(-c3cccc(Cl)c3)s2)C1 2182127737 FVSBXFJTEOOSQF-OAHLLOKOSA-N 304.842 5.458 30 10 DKEE CCCC1(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)CCC1 2189684334 HSDSRUUZSMYRFO-NSHDSACASA-N 310.224 5.140 30 10 DKEE CCCCCCCCCCCCN(C)[C@H](C)CCSC 2195918055 RAEYVXXIBKFSHN-GOSISDBHSA-N 301.584 5.981 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Cl)c(OC)c1F 2203416116 GIAKPWJVAHLBGV-CQSZACIVSA-N 301.833 5.109 30 10 DKEE C=CCCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NC 2206898255 GIFLJEFHDHDNBQ-AWEZNQCLSA-N 314.300 5.651 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(F)cc1OC 2207361055 GCNZTWQZMNSIAP-OAHLLOKOSA-N 302.817 5.272 30 10 DKEE CCCCCCCCCCCCOC[C@@H](CS)CCC 2239502406 UFXCGUIRNYFUNY-SFHVURJKSA-N 302.568 6.270 30 10 DKEE C=CCCCCCCCSc1ccc([C@H](C)O)cc1Cl 2287182412 ONCYUUJRHZNMBH-AWEZNQCLSA-N 312.906 6.012 30 10 DKEE C=CCCCCCCC[C@@H](OCCN)c1ccc(Cl)s1 2292646262 UQLXCNGCSGQMPD-CQSZACIVSA-N 315.910 5.335 30 10 DKEE C=CCOc1ccccc1C=CC(=O)c1ccc(C(C)C)cc1 2322725062 WKOPTEKSXUTQPW-UHFFFAOYSA-N 306.405 5.271 30 10 DKEE CCSc1ccc(C(C)=NOCc2cccc(Cl)c2)cc1 2330501113 TXEWFUFXRNTNDT-UHFFFAOYSA-N 319.857 5.393 30 10 DKEE Cc1c(CC2(C=O)CCC(C)(C)CC2)ccc(Cl)c1Cl 2364016265 ADAXLFZSUBKHGR-UHFFFAOYSA-N 313.268 5.630 30 10 DKEE CCCCCCCC[C@](C)(OCCN)C1(Cl)CCCC1 2366344744 DRVKYSBFRYWSAT-INIZCTEOSA-N 303.918 5.023 30 10 DKEE C#Cc1cccc(N[C@H](C)c2cc(F)c(Cl)cc2Cl)c1 37185205 FBBBWKQRYIUWNP-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE C=CCn1c([C@@H](C)Oc2ccc(Cl)cc2)nc2ccccc21 40236495 MXLZJEMYIHZPAF-CYBMUJFWSA-N 312.800 5.016 30 10 DKEE Clc1ccc(Cl)c(/N=C2/N[C@@H](c3ccccc3)CS2)c1 63001158 JGSKBWXMQLORQC-CQSZACIVSA-N 323.248 5.059 30 10 DKEE SC[C@H](CSc1nc2ccccc2s1)c1ccccc1 94588988 LXVMSZYGXKLVPX-CYBMUJFWSA-N 317.504 5.102 30 10 DKEE CC(C)(C)[C@@H]1CCCN(CCCCCCCCCS)CC1 97799461 IVNGBZVDSKIRSG-GOSISDBHSA-N 313.595 5.795 30 10 DKEE CCCCCCCNC(=O)c1sc2ccccc2c1Cl 100038295 MQTFFPIMKKTUPC-UHFFFAOYSA-N 309.862 5.255 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1CNCCC 111819731 PURUAVQNOCOOQV-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCCCCNc1c(Cl)ccc2nsnc12 115879102 UPBIOLSOULMQGV-UHFFFAOYSA-N 311.882 5.507 30 10 DKEE CCCCCCC[C@H](NCC)c1cccc(Cl)c1Cl 158128998 BALIGEOCYARNTP-HNNXBMFYSA-N 302.289 6.005 30 10 DKEE C=C(C)C[C@H](NCCC)c1cccc(OCc2ccccc2)c1 303760648 WIVFQZPXTBJNQG-NRFANRHFSA-N 309.453 5.273 30 10 DKEE CCCCCCCNc1ccc(OC(F)(F)F)c(Cl)c1 401384769 MCOFZAQZEUOUFZ-UHFFFAOYSA-N 309.759 5.621 30 10 DKEE CCCCCCCCc1cc(Br)sc1C(=O)O 675057517 DMUHUEBVLQHINL-UHFFFAOYSA-N 319.264 5.112 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C1(C)CCCCCC1 698403821 AIWNGCJYYYOBRV-CVEARBPZSA-N 322.493 5.275 30 10 DKEE CC(C)CC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 710771098 UTQHHLOJYICIBF-KRWDZBQOSA-N 322.493 5.275 30 10 DKEE C(=NN=Cc1ccc2ccccc2c1)c1ccc2ccccc2c1 1084192798 UQJABCCEECUOII-UHFFFAOYSA-N 308.384 5.446 30 10 DKEE C=CCOc1cccc(NC(=O)C2CCC(CCCC)CC2)c1 1860111940 ITXAHBMTZJHLGV-UHFFFAOYSA-N 315.457 5.187 30 10 DKEE CCCCCCCCCSc1nc(C(=O)OCC)cs1 1860812642 YHCAKWFWJGMCTI-UHFFFAOYSA-N 315.504 5.163 30 10 DKEE CCCCCCCCC(=O)Nc1ccccc1OCCCC 1866090267 VOAPDOZICFCMRF-UHFFFAOYSA-N 305.462 5.555 30 10 DKEE CCCCCCCCN(C)Cc1c(Cl)cccc1Cl 1887074596 SCZSUISRCYFKJV-UHFFFAOYSA-N 302.289 5.786 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(Cl)c(F)c1F 1923353165 YFSHVFRGDLSALB-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE CCCCCCC[C@@H](O)c1c(Cl)sc(Cl)c1Cl 1925573699 OULYEWYVBMFMMQ-MRVPVSSYSA-N 315.693 6.102 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)C2CCC2)C1 1946842979 UFURHMQAEAKQFB-SFHLNBCPSA-N 324.512 5.396 30 10 DKEE C=CCCCCCCCCN1CC[C@@H](OCc2ccccc2)C1 1995320079 QVPLGJFIZGOLGN-OAQYLSRUSA-N 315.501 5.194 30 10 DKEE C=CCCC[C@H](NCC)c1sc(CC)cc1Br 2000382971 TXQCCJBIRDHWPM-ZDUSSCGKSA-N 316.308 5.080 30 10 DKEE C=C(Cl)CC[C@H](NCCC)c1ccccc1Br 2003671422 OINKAJJRPVQTMU-AWEZNQCLSA-N 316.670 5.023 30 10 DKEE CCCCC#CCn1ccc2cc(OCc3ccccc3)ccc21 2024417509 VBDYRNMMXWUIDV-UHFFFAOYSA-N 317.432 5.414 30 10 DKEE C=CCCCCNc1ccc(Br)c(C(F)(F)F)c1 2059121937 WGKGVAIVWPMMFY-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE CCCCCCCCCC[C@H](N)c1ncc(SC)s1 2098410161 KAINDETUDOZMKE-ZDUSSCGKSA-N 300.537 5.396 30 10 DKEE C=CC1(C[C@H](NCCC)c2ccc(Br)cc2)CCC1 2111720829 RZCUUOCTQBWBEH-INIZCTEOSA-N 322.290 5.236 30 10 DKEE C[C@@H]1C[C@@](C#N)(Nc2ccccc2Cl)c2ccsc2S1 2152750592 SSLGNJDEAKJYSO-BMIGLBTASA-N 320.870 5.117 30 10 DKEE C=C([C@@H](NCCC)c1cscc1C(F)(F)F)C(C)(C)C 2152945261 WYHUOAJWQWQPEQ-CYBMUJFWSA-N 305.409 5.410 30 10 DKEE CCCCCCCCCC[C@H](N)c1snc(OC)c1Cl 2164489037 ZZYFPIFHPJXGMD-LBPRGKRZSA-N 318.914 5.336 30 10 DKEE C=CC1(NCc2sc3ccccc3c2Cl)CCCCC1 2178137383 KLOKOWUXANWUPX-UHFFFAOYSA-N 305.874 5.533 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](NC)c1cc(Cl)sc1C 2207462524 VSDHXEIJJKPBRH-HOCLYGCPSA-N 317.926 5.082 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccsc1Br 2214624155 WLJGFSWEYKUQJF-ZDUSSCGKSA-N 316.308 5.427 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cnc(Cl)c(Cl)c1 2227284739 CBKIORIXDFVCSW-CQSZACIVSA-N 302.245 5.339 30 10 DKEE C=CCCCOC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2238017708 HJVNYVZWRGNTOO-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE C=C(C)CCCCCc1ccc(Cl)cc1Br 2244653934 DGDXIIOTQSHHJK-UHFFFAOYSA-N 301.655 5.782 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1scc(Cl)c1Cl 2271789745 FIXQGKLRQJVNBX-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE CCCCCCCCCCOCc1cc(Cl)nc(Cl)c1 2286768047 NZHLBLVEQZCCHY-UHFFFAOYSA-N 318.288 6.046 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](SCC2(C)CC(C(F)(F)F)C2)C1 2287330621 BUPCYXOCMOZLBB-LRUBOHGLSA-N 305.409 5.027 30 10 DKEE CN(CCCCCCCS)Cc1ccc2sccc2c1 2294774617 IUFVMTMOESEWKS-UHFFFAOYSA-N 307.528 5.213 30 10 DKEE O=C1C(=Cc2ccccc2)Cc2ccccc2C1=Cc1ccccc1 2297464305 VJMUZPOKSLRNSH-UHFFFAOYSA-N 322.407 5.436 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2323211525 MSGYVAQIOOUQCU-UHFFFAOYSA-N 320.432 5.661 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cccc(Cl)c1Cl 2365092368 CVZWDQFFRKDZPR-WFASDCNBSA-N 310.268 5.084 30 10 DKEE C=CC[C@H]1CCCN(CCCc2cc(Cl)cc(Cl)c2)C1 2366833970 IDYIZUUGHVKKLN-AWEZNQCLSA-N 312.284 5.214 30 10 DKEE CCc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)cc3)o2)cc1 5954357 YNHAXDVYXRRHBF-WYMLVPIESA-N 316.400 5.714 30 10 DKEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(F)c(Cl)c1 36972812 PNNYTBYDURQECO-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCOc1c(Cl)cc(Cl)cc1CN 59300113 YZRMUBGMBRFMHN-UHFFFAOYSA-N 304.261 5.191 30 10 DKEE CCCCCCCCNc1ccc(OC)cc1C(F)(F)F 59422932 LFVZOTDQJJRUHH-UHFFFAOYSA-N 303.368 5.486 30 10 DKEE CCCOc1c(Cl)cc(/C=N/Nc2ccccc2)cc1Cl 82251799 IQXANTOHIAGVST-YBFXNURJSA-N 323.223 5.228 30 10 DKEE N#C[C@@H](CSc1ccc(Cl)c(Cl)c1)c1ccccc1 88304105 BAHZEKMLGNYHBK-LBPRGKRZSA-N 308.233 5.393 30 10 DKEE N#Cc1ccc2oc(-c3ccc(Cl)cc3)c(C(F)(F)F)c2c1 90567568 KRZCJUAKQFQXOV-UHFFFAOYSA-N 321.685 5.644 30 10 DKEE SCC1(COc2ccc(-c3ccccc3)cc2Cl)CC1 94582635 MRAYCNKTNAYXMC-UHFFFAOYSA-N 304.842 5.096 30 10 DKEE CCCCCCCCOc1ccccc1CNCCCCCC 100048267 BHYRSLCETPWHTB-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(O[C@@H](C)CC)cc1 100048478 RVQSWYSZWMSYSN-GHTZIAJQSA-N 319.533 6.265 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccc(Cl)s1 122657614 LOMXNLBTYFPRSX-ZDUSSCGKSA-N 302.915 5.437 30 10 DKEE Cc1c([C@H](C)N[C@@H](C)c2ccc(C#N)s2)oc2ccccc12 134810916 FNQYFGTXGPAPQW-STQMWFEESA-N 310.422 5.086 30 10 DKEE CCSc1cccc(N[C@H](c2cccs2)C(C)C)c1C#N 136641423 JBUHMFFSZSAUOM-KRWDZBQOSA-N 316.495 5.541 30 10 DKEE N#Cc1ccc(CNc2cc(Cl)ccc2Cl)c(Cl)c1 162571490 YPIGHQLXSOTAFE-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE Cc1cc2c(cc1C)C(=O)/C(=C\c1cccc3ccccc13)O2 214006854 QIKPWTUWHDRNTA-UDWIEESQSA-N 300.357 5.073 30 10 DKEE CN(C)c1ccc(/C=N\[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 254310364 UJOMJJHNDJDJKO-IEXVEGJWSA-N 322.496 5.231 30 10 DKEE CCCCCCCCCC(=O)c1coc(Br)c1 383057220 BWSSWRLUUSPERH-UHFFFAOYSA-N 301.224 5.366 30 10 DKEE CCCC(CS)(CCC)CN1CCc2ccsc2[C@H]1C 711839884 BVJGOJVWWFYWCR-CQSZACIVSA-N 311.560 5.184 30 10 DKEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)cc1Cl)NCCC 715746722 DWJLJOCBCZHPIU-LRDDRELGSA-N 300.273 5.116 30 10 DKEE Cc1ccc(C#Cc2ccc(Cl)cc2Br)cc1C 725413931 GVJMIURBGBNWDS-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CCCCCCCn1c([C@H](N)CC)nc2cc(Cl)ccc21 1857801799 WUOIGYRCRRHZMW-CQSZACIVSA-N 307.869 5.070 30 10 DKEE N#Cc1cc(Cl)ccc1N(Cc1ccccc1)Cc1ccco1 1915090832 PNJAECJHNPLXHS-UHFFFAOYSA-N 322.795 5.011 30 10 DKEE CCCCCCCCC[C@@H](O)c1cnc(Cl)c(Cl)c1 1917239606 VDXMSHGCAJTHNJ-CQSZACIVSA-N 304.261 5.563 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](NCC)c1ccc(Cl)s1 1921133443 QCXSNCNEPVJBDS-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE C=CCCCCC[C@@H](CCCOCc1ccccc1)NCCC 1976715489 MKFODYKJCZDZTG-NRFANRHFSA-N 317.517 5.488 30 10 DKEE C=CCC[C@H](C)[C@@H](O)c1cc(Cl)c(C)c(Br)c1 2002244400 NPOKLHMZMVECAS-LKFCYVNXSA-N 317.654 5.047 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1cscc1Br 2026015829 XCTLZMSKNWZKPG-CQSZACIVSA-N 316.308 5.211 30 10 DKEE Cc1ccc(NC=C2CCCC(=Cc3ccccc3)C2=O)c(C)c1 2053623147 IDDDKDIIOSEAKA-UHFFFAOYSA-N 317.432 5.436 30 10 DKEE C=C(CC(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 2080106419 YFKATPXHQPOXDY-UHFFFAOYSA-N 304.431 5.767 30 10 DKEE C=CCCCCCCCC(=O)c1cccc(Br)c1 2085845410 WIPNJIBVGKAATL-UHFFFAOYSA-N 309.247 5.549 30 10 DKEE N#Cc1cc(F)c(Oc2ccc3sccc3c2)cc1Cl 2177392322 CGODZOAEPHXDSP-UHFFFAOYSA-N 303.745 5.358 30 10 DKEE C#CCCCCCC(=O)c1ccc(C(F)(F)F)cc1Cl 2179257564 VBWYRERXIHOYGA-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)Cc2cc(Cl)ccc2Cl)CC1 2234053823 NATIYRHTQJBVTI-LBPRGKRZSA-N 311.252 5.488 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1c(Cl)cccc1Cl 2235538138 GWTBPGBULHGOHH-OAHLLOKOSA-N 315.288 5.415 30 10 DKEE C=CC1(C[C@H](N)c2cc(Br)cc(C(C)C)c2)CCC1 2265955338 UTODJEZSJLONJV-INIZCTEOSA-N 322.290 5.319 30 10 DKEE CCCCCCCCC[C@@H](OCCN)c1csc(Cl)c1 2293310473 PPTDUTBUKJJFLK-OAHLLOKOSA-N 317.926 5.559 30 10 DKEE Cc1c(COCC[C@@H](C)CCS)ccc(Cl)c1Cl 2317271967 AQFKRSYWGCGYIW-SNVBAGLBSA-N 307.286 5.165 30 10 DKEE N#C[C@H](CSCc1ccccc1Br)C1CCCC1 2318741375 IXDWEYLDCQIPAS-CQSZACIVSA-N 324.287 5.012 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccccc1Br 2321098271 INUOVVBTVBGAJQ-CVEARBPZSA-N 310.279 5.092 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1cc(Cl)c(Cl)c(Cl)c1 2321138582 SEJHLHBALGQCGH-CYBMUJFWSA-N 306.664 5.510 30 10 DKEE CCC(=NOCCCc1ccccc1)c1ccc2c(c1)CCCC2 2330251526 CJESODBZQLIKQW-UHFFFAOYSA-N 321.464 5.329 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)sc1CNCCC 2335244047 CUAXQNXTYAZFJS-UHFFFAOYSA-N 315.935 5.514 30 10 DKEE FC(F)(F)c1ccc(OC[C@@H](CS)CC2CC2)c(Cl)c1 2366678062 XZMQHEXKUMOJIK-JTQLQIEISA-N 324.795 5.084 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1c(Cl)ccc(F)c1F 2370488544 XJBZHVBBXJMJLM-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE N#Cc1ccc(Nc2nc3cccc(Cl)c3s2)cc1Cl 37206892 PZYVGSBIFFYYPS-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE N#Cc1c(F)cccc1N[C@H](c1cccs1)C1CCCC1 37269010 BLUVYLRJQXTTFL-KRWDZBQOSA-N 300.402 5.102 30 10 DKEE CCc1ccc2c(c1)c(C#N)c(Cl)n2Cc1cccc(C)c1 71465162 DYLCTPIUYRBISF-UHFFFAOYSA-N 308.812 5.086 30 10 DKEE COc1c(Cl)cc(Cl)cc1-c1cc(C#N)c(C(C)C)o1 77079911 GXTUDYFAJOOAJV-UHFFFAOYSA-N 310.180 5.257 30 10 DKEE CCCCCCCC[C@H](O)Cc1c(Cl)cccc1Cl 103940596 WBVANQHZRIOWOV-ZDUSSCGKSA-N 303.273 5.647 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1ccc(Cl)cc1Cl 109945351 DWSPOPKBSSOAJD-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(Cl)cc1Cl 110224901 JGJYKPNIGMUKNG-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCCC[C@](C)(O)c1cccc(Br)c1 114871856 YYCWZRIBXWDJER-INIZCTEOSA-N 313.279 5.407 30 10 DKEE CC(C)(C)c1ccc(Sc2cc(C#N)cc(Cl)n2)cc1 122903102 MGBMLAHAMWFMIJ-UHFFFAOYSA-N 302.830 5.055 30 10 DKEE CCCCCCCCCCCC[C@@H](CSCCC)NN 126597275 UQJZWSMXWHRXKY-KRWDZBQOSA-N 302.572 5.273 30 10 DKEE C=CC[C@@H](C)/C=C/N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 135909441 OGGFNNGFVRVXCP-SZGUKTLCSA-N 317.429 5.163 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Br)ccc1C 233606943 WQPJYXWOCHYJOC-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CC[C@@H]1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 245311016 LMHGGAQGTONEPF-RTZVLPBPSA-N 302.417 5.543 30 10 DKEE O=C(C1=CCCCCC1)c1c(Cl)cccc1Br 304233668 BKPUACQBWVNGKF-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCCCCCC[C@H](N)c1c(Cl)cccc1Br 306031024 NUEZEELBMNMIOQ-ZDUSSCGKSA-N 318.686 5.463 30 10 DKEE Cc1c(Br)c(C)c2c(CC(C)C)c(C#N)oc2c1C 312122026 VYIHJZVNHDMXCD-UHFFFAOYSA-N 320.230 5.191 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(C)c(Br)c2)C1 317349394 SUXJLBWLDGOVTN-PBHICJAKSA-N 323.274 5.086 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Sc1ccc(Cl)cc1Cl 322709372 PMBTUAVCLZRGOU-MFKMUULPSA-N 300.254 5.558 30 10 DKEE CCCCCCCCOc1ccc([C@H]2CC[C@H](O)CC2)cc1 585668099 ILTSDSAGPFFQQH-UAPYVXQJSA-N 304.474 5.444 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(Cl)ccc1Cl 692240827 QSDVWPRXDKUWMV-OGHNNQOOSA-N 312.284 5.779 30 10 DKEE CCCCCCC[C@@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 697353529 DSHKQRREADLHNX-QGZVFWFLSA-N 321.461 5.428 30 10 DKEE C=C1CCC(C[C@@H](O)c2ccccc2OCc2ccccc2)CC1 724571275 MWYSXLLTGMNRRC-OAQYLSRUSA-N 322.448 5.436 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1ccc(SC(F)(F)F)cc1 829178601 GKDLFZXWJHHFEV-SNVBAGLBSA-N 302.365 5.039 30 10 DKEE Cc1cc(C)cc(-n2c(C)cc(C=Nc3ccccc3C)c2C)c1 1084235649 VSFCUNFOBNDQGN-UHFFFAOYSA-N 316.448 5.770 30 10 DKEE N#Cc1cccc2c1C[C@@H](c1cccc(Oc3ccccc3)c1)O2 1616047775 YTTIXVNYODTGID-NRFANRHFSA-N 313.356 5.027 30 10 DKEE N#Cc1cccc(Cl)c1-c1cc(Cl)cc(Cl)c1Cl 1848374870 ROSPTRLATKQZTF-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC(C)c1cc(NC(=O)c2cccc(C#N)c2)cc(C(C)C)c1 1866100008 FEJDRTITXPQQAO-UHFFFAOYSA-N 306.409 5.057 30 10 DKEE CCCCCCC[C@@](O)(CC)c1ccc(Br)cc1 1920040784 LVBOWUGISIBXHI-INIZCTEOSA-N 313.279 5.407 30 10 DKEE CCCCCCCCC[C@H](N)[C@@](C)(O)c1csc(Cl)c1 1920268837 HXFIIVNTWVLQDA-HOCLYGCPSA-N 317.926 5.077 30 10 DKEE C=C(COCc1ccccc1)[C@](O)(CC)C1CCC(C)(C)CC1 1975957306 JTPXHGTVGBYUNV-OAQYLSRUSA-N 316.485 5.117 30 10 DKEE CCC1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC)CC1 1980213477 ZDDALOQUEXLQLO-VXLLPVPCSA-N 322.493 5.131 30 10 DKEE CSc1ccccc1N=CC=C1N(C)c2ccccc2C1(C)C 2040466684 KIAYAIXWJXVMCA-UHFFFAOYSA-N 322.477 5.422 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(C)ccc1Br 2040535417 ZMARTFQGVAGQGJ-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(Br)c(C)c1 2085914396 AAQWFQCQVKNDNN-MRXNPFEDSA-N 311.263 5.318 30 10 DKEE C=CC1(CN[C@@H](CC)c2ccc(Br)cc2)CCCC1 2132978047 WEJGLUISXZVKDR-INIZCTEOSA-N 322.290 5.236 30 10 DKEE CCCCCCC[C@H](O)[C@H](NCCC)c1csc(Cl)c1 2154424692 WXUAMOJTXVBRCT-GOEBONIOSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(F)c(Cl)c1F 2200729632 BNADPBFEZDNMON-SNVBAGLBSA-N 324.242 6.433 30 10 DKEE C=CCCCCCCCC[C@H](N)c1csc(C(F)F)n1 2207436337 KFOXPJCVRSICLT-LBPRGKRZSA-N 302.434 5.387 30 10 DKEE CCCCCCCC[C@H](O)[C@H](N)c1cc(Cl)ccc1Cl 2207451584 WAKSAOSESKJJGE-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE CCCCCCCCCOCc1ncsc1Br 2216955313 IHOMJDBIFREICE-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1cc(Cl)cc(Cl)c1 2231497922 WMVDNDXLNXCSRP-QWHCGFSZSA-N 300.273 5.116 30 10 DKEE CC1(C)CCC[C@@](C=O)(CCCC(F)(F)C(F)(F)F)C1 2240472725 VTWZVPVKPCGXMJ-GFCCVEGCSA-N 300.311 5.140 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1c(Cl)cccc1Cl 2289787662 RVLCNKLHLNPGRW-INIZCTEOSA-N 310.268 5.228 30 10 DKEE CCCCCCCCC[C@@H](C)Nc1c(Cl)cccc1Cl 2295672173 ZTTAJZKJNSXDDL-CQSZACIVSA-N 316.316 6.935 30 10 DKEE CCOc1ccccc1NC=CC(=O)c1ccc(C(C)(C)C)cc1 2297681100 ORGKXXAMSTVULU-UHFFFAOYSA-N 323.436 5.191 30 10 DKEE C=CCC(CC=C)C[C@H](NCC)c1cccc(Br)c1 2338667766 UFTZTMFWYLJKOE-KRWDZBQOSA-N 322.290 5.258 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339150922 SOXJHAJGCSRVFB-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE CCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1C 2365085503 USWOEDVKRWZUNQ-SWLSCSKDSA-N 310.268 5.002 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1c(F)ccc(F)c1Cl 2370482929 PWOPLRYGPOFWLL-HOTGVXAUSA-N 301.808 5.261 30 10 DKEE CN(C)c1ccc(/N=C/c2cccc(-c3cccs3)c2)cc1 6910970 LOYGOCWCPPWQTO-XSFVSMFZSA-N 306.434 5.232 30 10 DKEE CC(C)Sc1ccc(CCCNc2ccc(C#N)cc2)cc1 76310928 QAWOBNUQKDCKED-UHFFFAOYSA-N 310.466 5.103 30 10 DKEE CCC(C)(C)C1CCC(C#N)(Nc2cccc(Cl)c2)CC1 110028799 MTTMSMZOSMZISH-UHFFFAOYSA-N 304.865 5.641 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1 112896654 GQFLMHJJFJEDIT-OAHLLOKOSA-N 316.316 6.004 30 10 DKEE CCCCCCCCCCOc1cccc(Cl)c1CCN 128508210 BGOIMRKFMCENDU-UHFFFAOYSA-N 311.897 5.361 30 10 DKEE CSc1cccc(NC2CC(C)(C)CC(C)(C)C2)c1C#N 136694451 LBKHFRLQHSZPTE-UHFFFAOYSA-N 302.487 5.297 30 10 DKEE CCCCCCCC[C@H](N)c1cc(C)ccc1Br 159157273 ARRRYNWMTZXLLT-INIZCTEOSA-N 312.295 5.508 30 10 DKEE CCCCCCCCNCc1ccc(Br)c(F)c1 160801793 BIQXZPWMQUOYGY-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE C=CCCCC(=O)c1ccc2cc(Br)ccc2c1 165946208 JJRBDLAPIYJSBK-UHFFFAOYSA-N 303.199 5.141 30 10 DKEE Fc1c(F)c(F)c(-c2ccc(C(F)(F)F)cc2)c(F)c1F 169021920 XVIHNEVFHAVBCS-UHFFFAOYSA-N 312.159 5.068 30 10 DKEE CC[Si](C#C/C=C\C#C[Si](CC)(CC)CC)(CC)CC 195754665 NFAAVLBMWXESLY-YPKPFQOOSA-N 304.626 5.645 30 10 DKEE C/C(=C/C(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1F 208226874 UGJLOMGVNWYELX-LUAWRHEFSA-N 308.274 5.131 30 10 DKEE CCCCCCCCC[C@H](O)c1cnc(C(F)(F)F)s1 232939998 MFOZPYFEEDZWQQ-NSHDSACASA-N 309.397 5.336 30 10 DKEE CCCCCCCCNc1cc(C)c(Br)cc1F 310858143 BXEQLEUXCKLLPS-UHFFFAOYSA-N 316.258 5.669 30 10 DKEE C=CCCC[C@H](C)NCc1cccc(OCc2ccccc2)c1 398186651 QCCDRDCXHQXTDR-SFHVURJKSA-N 309.453 5.100 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C1(C)CCCCCC1 698403824 AIWNGCJYYYOBRV-JKSUJKDBSA-N 322.493 5.275 30 10 DKEE CCCCCCCC[C@H](N)c1oc(C)cc1Br 706230020 ICYABHVZFWPOQT-ZDUSSCGKSA-N 302.256 5.101 30 10 DKEE C(=Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccs1 1084093745 AQFKJNNGIKHJDZ-UHFFFAOYSA-N 303.390 5.042 30 10 DKEE N#Cc1c(F)c(F)c(-c2cc(Cl)cc(Cl)c2)c(F)c1F 1848377136 JOIYTJAQGILRNI-UHFFFAOYSA-N 320.072 5.088 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(C)c(Br)o1 1917585459 WQNTXRPAJAEYSY-ZDUSSCGKSA-N 316.283 5.362 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)[C@@H](C)C(C)C 1917919916 AJUINIPAUOXVNS-PXNSSMCTSA-N 303.556 5.999 30 10 DKEE C=CCCCCCCCCN(C)CCCOCc1ccccc1 1995321498 CDBODHRLOFWCKJ-UHFFFAOYSA-N 317.517 5.442 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(OCc2ccccc2)cc1 2026018416 ZJQCXZUOXQNLMA-QFIPXVFZSA-N 323.480 5.792 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H](N)c1cc(Cl)sc1C 2154485249 NGGZWFBMKCCCCF-GDBMZVCRSA-N 317.926 5.211 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(C(F)(F)F)ns1 2155031480 RIBQTKIPGBCSTD-NSHDSACASA-N 308.413 5.173 30 10 DKEE C#CCCCCC[C@@H](NCC)c1ccsc1C(F)(F)F 2157626333 IQASKCKMHWSWNI-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=C([C@@H](NCCC)[C@H]1CCCCC(F)(F)C1)[Si](C)(C)C 2168912424 CZJANXHNUXDPMN-LSDHHAIUSA-N 303.513 5.004 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1scc(Br)c1C 2213769644 ZBUZTYWGGBFROW-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE CCCCCCCCNc1cc(Cl)ncc1Br 2216976327 ZNWCGFQXWBVLJQ-UHFFFAOYSA-N 319.674 5.270 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccc(Br)cc1 2223847063 ADQUUJBZXWDVNO-CQSZACIVSA-N 312.295 6.000 30 10 DKEE C=C(CC)CC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243555648 FOOIVGHKCYCPPD-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE C=CCCSC[C@H](NCCC)c1cc(Cl)ccc1Cl 2271589017 CWZUSJGTHIMKKT-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1c(F)cc(Cl)cc1F 2281563844 BGQHSKIJNLONDS-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCCCCCSC[C@H](NCCC)C1(F)CC1 2287199067 VAIVAZVXTFKLQE-INIZCTEOSA-N 301.515 5.117 30 10 DKEE CC[C@H](C)c1ccc(O)c(N=CC=Cc2ccc([N+](=O)[O-])cc2)c1 2297532759 BPKLBAAQPKVDNQ-AWEZNQCLSA-N 324.380 5.230 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(Br)c(C)c1 2321141111 MJWMMTXMBASCPC-HZPDHXFCSA-N 310.279 5.010 30 10 DKEE Clc1ccc(C(=NOCc2ccccc2Cl)C2CC2)cc1 2330310082 VIDZYKDHKPMANF-UHFFFAOYSA-N 320.219 5.324 30 10 DKEE C[C@@H]1CCC[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2349797236 ORSKIEXRGSHYDW-BMIGLBTASA-N 300.204 5.395 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(F)c(Cl)cc1Cl 2362237316 FOMQZKALDUCRRM-USBNGQNGSA-N 316.247 5.528 30 10 DKEE CC(C)(c1ccccc1)c1ccc(Oc2ccc(C#N)cc2)cc1 11890716 MAIQANOAVHEIQN-UHFFFAOYSA-N 313.400 5.676 30 10 DKEE C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@@H]2CC1 31623230 BGCXKCIPDDNDEV-KZEVZHLLSA-N 316.485 5.295 30 10 DKEE biogenic CC[C@@H](Nc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl 35625058 PXUOGKZMDNEHHM-MRXNPFEDSA-N 305.208 5.428 30 10 DKEE N#Cc1cc2ccccc2nc1Oc1ccc(Cl)cc1Cl 71390562 YUNJEPRNJUQJKM-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1C(C)(C)C 83193430 PHIHZQCTERUQDC-XYOKQWHBSA-N 312.840 5.842 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1cc(F)cc(F)c1 94826999 BJOGDIHGIIKHIH-LBPRGKRZSA-N 305.393 5.416 30 10 DKEE C=CCSc1ccccc1N[C@@H](c1cccs1)C(C)C 109900826 ZGXDAMFGRVSQOK-QGZVFWFLSA-N 303.496 5.835 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(F)ccc1C(F)(F)F 163916524 CXARGHGGZIZIRH-OAHLLOKOSA-N 306.343 5.629 30 10 DKEE C=C(C)CCC(=O)c1ccc(Br)cc1C(F)(F)F 164476872 OSVUSNMRMGRUTD-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE CCCCCCCCCC[C@H](O)[C@H]1SCCS[C@@H]1C 228087376 OMIDKVQJJDTTPL-PMPSAXMXSA-N 304.565 5.115 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2ccccc2c1 230869808 FAACXMODOPHDHL-UHFFFAOYSA-N 311.469 5.710 30 10 DKEE CC#CCC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 310396589 FSCRJOIUYZOZRK-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE N#Cc1cc(-c2cc(Cl)c(Cl)cc2Cl)ccc1Cl 514261002 WIXKXIVZFIUXEU-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1scnc1Cl 721931605 IYBJBMIKFUXUJS-AWEZNQCLSA-N 317.926 5.621 30 10 DKEE CCCCCCC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 722129832 NLNUSDKQEQOXOT-MRXNPFEDSA-N 303.273 5.647 30 10 DKEE CC[C@@H](C)CC(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911715537 FOBQQYNFGMMLMF-CQSZACIVSA-N 317.429 5.052 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)c1ccc(Cl)cc1 1917853111 SXUNZFBMBMWHND-LJQANCHMSA-N 301.883 5.496 30 10 DKEE C=CCCCCc1cccc(Br)c1Br 1929576233 GRSDOFQGQABMRY-UHFFFAOYSA-N 318.052 5.110 30 10 DKEE C=C([C@@H](NC)c1cscc1OCc1ccccc1)C(C)(C)C 1934833321 SKWPDFNBIKAGIN-GOSISDBHSA-N 315.482 5.190 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Br)c(Cl)s1 1978559769 GODQFMVBTKAFAA-JTQLQIEISA-N 322.699 5.171 30 10 DKEE CCC1CCC(C=O)(CN(Cc2ccccc2)[C@@H](C)CC)CC1 1980200242 LQVGZSSERRPTCO-JSOIOWGOSA-N 315.501 5.073 30 10 DKEE C#CCCCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2053236003 GYCAWUKBBHNEFF-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE CCC[C@H](C(=O)[C@H](C#N)c1c(Cl)cccc1Cl)C(C)C 2144873456 NXEJKUPTCPFLON-NWDGAFQWSA-N 312.240 5.242 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1ccc(Cl)cc1Cl 2148596092 PJMJZNJZLNFLOH-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE CN(CCCCCCCCCS)CCC[C@@H]1CC1(F)F 2196218266 DAGPRXRPDBVGEH-OAHLLOKOSA-N 307.494 5.014 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(-c2cccs2)s1 2205873046 DXCSAKJPGWYSAS-DYVFJYSZSA-N 305.512 5.730 30 10 DKEE CCCCCCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 2231938844 CKDAJJREFSWOAN-KGLIPLIRSA-N 301.927 6.191 30 10 DKEE CCCCCCCCCC(=O)c1nc(C(C)(F)F)cs1 2234795614 YKJQMJMFPQFRCO-UHFFFAOYSA-N 303.418 5.578 30 10 DKEE C#CCCCCC[C@H](Cc1cccc(Cl)c1Cl)NCC 2235755680 FBUILAAECBQJBO-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)cc(F)c1Cl 2239478467 JDCAIYCTOHYALS-OAHLLOKOSA-N 321.263 6.307 30 10 DKEE C=CCCCCCCCC(=O)c1ncc(Br)cc1C 2269712668 FKVQBTZBVYSRIJ-UHFFFAOYSA-N 324.262 5.252 30 10 DKEE C=C[C@H](C)CCN[C@H](c1cccs1)c1ccc(Cl)s1 2273034500 WEKSENZDHCQYCA-XHDPSFHLSA-N 311.903 5.354 30 10 DKEE C=CCCCCCC[C@H](OCCN)c1cc(C)c(Cl)s1 2294014614 FNNXZOJNXNGTQB-AWEZNQCLSA-N 315.910 5.253 30 10 DKEE C=CCC[C@@H](C)[C@@H](OCCCN)c1ccc(Cl)c(Cl)c1 2294229682 BSUNZNLROZVHDV-MLGOLLRUSA-N 316.272 5.002 30 10 DKEE Cc1cc2sc([C@@H](O)C#Cc3ccccc3Cl)cc2s1 2295225918 CYMVFHRQNHFWGC-ZDUSSCGKSA-N 318.850 5.010 30 10 DKEE CCCC#CC[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2295259475 XCOXEWAVPPJHPY-GFCCVEGCSA-N 303.393 5.001 30 10 DKEE C=CC[C@@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341123567 WYGOTBRDUKNYHQ-WBMJQRKESA-N 300.273 5.116 30 10 DKEE Cc1ccc(C(=O)/C=C\Sc2c(Cl)cccc2Cl)cc1 32188745 SJAQWDUYYJCRHC-KTKRTIGZSA-N 323.244 5.791 30 10 DKEE C=C(C)C(C)(C)N(Sc1ccccc1)C(=O)OC(C)(C)C 39130242 MNGDJAWYUUFIHW-UHFFFAOYSA-N 307.459 5.286 30 10 DKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(C)cc1 83192682 CIXNCYQGICBNHY-ZRDIBKRKSA-N 308.421 5.197 30 10 DKEE N#C[C@H](CSc1ccc(Cl)c(Cl)c1)c1ccccc1 88304104 BAHZEKMLGNYHBK-GFCCVEGCSA-N 308.233 5.393 30 10 DKEE CC(C)(C)c1cccc(OC[C@@H](CS)c2ccccc2)c1 94584375 UHIXOKVTDDQDMQ-INIZCTEOSA-N 300.467 5.077 30 10 DKEE CCCCCCCCn1c(-c2cccs2)nc2ccccc21 102194022 LRRGWRDOGDYPRO-UHFFFAOYSA-N 312.482 6.125 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@@H]2CCC[C@H](C)C2)C1 110354885 QIIIXVKYJXFDFG-YYWYGQEZSA-N 307.547 6.043 30 10 DKEE CCCCCCCCCCCC[C@@H](CS[C@H](C)CC)NC 115645913 OQXYDCWTICDCDI-MOPGFXCFSA-N 315.611 6.417 30 10 DKEE CCCCCCCCCCCCSc1ccc(N)c(C)c1 118296831 VTDRISDGSYAPOD-UHFFFAOYSA-N 307.547 6.590 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)c(Br)s1 127112527 DFXITQNZLSKXEA-SNVBAGLBSA-N 324.715 5.524 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1ccc(Cl)cn1 129590700 FXQUCBSEDWKQGP-KRWDZBQOSA-N 310.913 5.916 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc2c(s1)CCCCC2 157997240 TUWRSVYPISSSLD-QGZVFWFLSA-N 307.547 6.028 30 10 DKEE CCCCCCCCCCC[C@H](CCc1ccsc1)NC 165359836 QWKGJHDKICVJBH-LJQANCHMSA-N 309.563 6.190 30 10 DKEE N#Cc1c(-c2ccccc2)cc(Nc2ccccc2)[nH]c1=S 196557584 LVRDKLGEPINQNV-UHFFFAOYSA-N 303.390 5.026 30 10 DKEE CCCCCCCC[C@H](O)Cc1cc(Br)cs1 229308594 MJMXPCAKMCSNSR-ZDUSSCGKSA-N 319.308 5.165 30 10 DKEE CCCCCCCC[C@H](NC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232315252 LQGPAHAZJWFCLN-OAGGEKHMSA-N 307.444 5.694 30 10 DKEE CCO[C@](C)(C#C[C@](C)(CCC(C)C)OCC)CCC(C)C 238791036 GCZDIJZDAHHPDE-PMACEKPBSA-N 310.522 5.453 30 10 DKEE CC(C)=C1C[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253570635 NWHGLVFSMBKWMI-FUDJBEKFSA-N 314.513 5.935 30 10 DKEE CCCC[C@@H](CC)C[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 380949293 QHQHHACENUPUSR-VQIMIIECSA-N 322.493 5.276 30 10 DKEE N#Cc1cc(-c2cc(Cl)cc(Cl)c2Cl)ccc1Cl 514260991 QFXRUKZLJXZRGY-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698375729 JVWXZHPHCVUZAX-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@@](C)(C#N)N(CC1CC1)C(=O)OC(C)(C)C 698968968 ZKBJILRPQYSUGV-IBGZPJMESA-N 322.493 5.276 30 10 DKEE CC/C(=N\OCc1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 821221418 VLUFGEBCHBGWPJ-BSYVCWPDSA-N 320.436 5.187 30 10 DKEE CCCCC[C@@H](CC)N(C)c1ccc(C#N)cc1Br 1879294198 FYUAVMDYZDGWJG-CQSZACIVSA-N 323.278 5.116 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)C1CCCC1 1917947838 DDWUNTYSLHIDCX-FQEVSTJZSA-N 301.540 5.897 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(C)cc(C)c1 1922092877 XATDRDZAPRMNFN-JOCHJYFZSA-N 323.480 5.117 30 10 DKEE C=C(C(C)(C)C)[C@]1(N)CCC(C)(C)C[C@H]1OCc1ccccc1 1977508266 VEPHDXOPKNIGFP-WIYYLYMNSA-N 315.501 5.082 30 10 DKEE O[C@@H](CC#CC1CCCCC1)c1scc(Cl)c1Cl 2035096132 GNRKNTWMTFXYBR-LBPRGKRZSA-N 303.254 5.062 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccc(Br)cc1F 2117013480 JHPLVHOXJMGVRT-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2136611188 DNGUNWODCPGZRP-ZUZCIYMTSA-N 320.691 5.900 30 10 DKEE C=CCCCCCCCCC(=O)c1cnccc1Br 2142393215 RAWVTZWTDHGJDA-UHFFFAOYSA-N 324.262 5.334 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1cc(Cl)cs1 2158606306 DWJBOJZFJBMXEP-INIZCTEOSA-N 315.954 6.583 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc(C(F)(F)F)cs2)C1 2182163634 HLQBTNJPBSOMQT-ZDUSSCGKSA-N 303.393 5.164 30 10 DKEE CCCCCCCCCCOCc1ccc(Br)o1 2223237128 CLLNIIJMZMHPLQ-UHFFFAOYSA-N 317.267 5.699 30 10 DKEE C=CCCCCCCC[C@H](N)c1cccc(C)c1Br 2227275581 NBCVMXDEVFSQPZ-INIZCTEOSA-N 324.306 5.674 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(C)cc1Br 2227285656 UZNDXKPTNNUCBK-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE C=C1CCC(C[C@@H](Cc2cc(Cl)ccc2Cl)NC)CC1 2234030540 ZECTYMNHUZBEBC-INIZCTEOSA-N 312.284 5.260 30 10 DKEE C=C[C@@H](CCCCC)OC[C@@H](N)c1cc(Cl)cc(Cl)c1 2239510366 MIWDPFGQIQFVIN-JKSUJKDBSA-N 316.272 5.145 30 10 DKEE CCCCCCCCCOc1ccc(Cl)cc1C(N)=S 2239541156 XOFAFOHFUWHTQA-UHFFFAOYSA-N 313.894 5.104 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(F)c(C)c1Cl 2240627754 JAVVFDZQSALIMY-KRWDZBQOSA-N 300.845 5.746 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Br)ccc1Cl 2250131920 FUWGQUXSWIYBLG-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cccc(Br)c1Cl 2250141444 YYKPILBELDZOMF-CYBMUJFWSA-N 317.654 5.272 30 10 DKEE CCCCCCCCC(=O)c1ncc(Br)cc1C 2257493762 GCTRHMKNDAOONJ-UHFFFAOYSA-N 312.251 5.086 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967855 UQWFPYKTYIIGHR-GUYCJALGSA-N 324.306 5.435 30 10 DKEE C=CCCSc1ccc(F)c(Cl)c1CNC(C)(C)C 2271486279 VUQRITMDIFAVMY-UHFFFAOYSA-N 301.858 5.035 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1cc(Cl)ccc1Cl 2289722182 VIWJRRDAVAWYND-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE Cc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2297352213 QHQGMQHKUSCAJU-UHFFFAOYSA-N 313.400 5.471 30 10 DKEE CCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1C 2339053727 QCLOGYHZKYKMMD-UHFFFAOYSA-N 301.257 6.235 30 10 DKEE C=CC[C@H]1CCC[C@@H]1NCc1sc2ccccc2c1Cl 2362239514 YHEILDQAZOGNTJ-JSGCOSHPSA-N 305.874 5.389 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2364082971 IHCHETYNYVHXSG-CQSZACIVSA-N 303.755 5.127 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2C)C1 2364266355 XFVZXILBYSRSIA-GUYCJALGSA-N 313.268 5.630 30 10 DKEE C=C(C)C[C@@]1(O)C=CC(c2ccccc2)(c2ccccc2)CC1 22012012 YMWCZKVTJDUOQE-OAQYLSRUSA-N 304.433 5.020 30 10 DKEE N#C[C@@H](C(=O)c1csc2ccccc12)c1ccc(Cl)cc1 42891339 BDXKDJPDQTVNJP-CQSZACIVSA-N 311.793 5.045 30 10 DKEE N#C[C@]1(Cc2c(Cl)cccc2Cl)CCCc2ccccc21 87930100 XVSHVWXEVYDELL-GOSISDBHSA-N 316.231 5.334 30 10 DKEE CC(C)(C)c1ccc(OCC2(CS)CC2)c(C(C)(C)C)c1 94582450 CYUYRKZAMKXSDB-UHFFFAOYSA-N 306.515 5.370 30 10 DKEE O=C(/C=C\Sc1ccc(F)c(Cl)c1)c1ccccc1F 97399201 HIGGYJFGPUQTDF-FPLPWBNLSA-N 310.752 5.107 30 10 DKEE CCCCCCCCOc1ccc([C@H](C)NCCCC)cc1 100047545 QXGPOZBTFWKPAB-SFHVURJKSA-N 305.506 5.877 30 10 DKEE CCCCCCCCCn1c([C@H](C)O)nc2cc(C)c(C)cc21 102247505 QQFXKXZDMXQRDM-KRWDZBQOSA-N 316.489 5.457 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2cccc(Br)c2)C1 110355053 QCHDAEOXCVBLLB-LALPHHSUSA-N 324.287 5.260 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Br)sc1C 115221977 OVCSYIBYACBOTG-ZDUSSCGKSA-N 319.308 5.603 30 10 DKEE CCCCCCCCC[C@H](CS[C@H](C)CC)NCCC 115646113 RKXWCVNGAQDRIR-QZTJIDSGSA-N 301.584 6.027 30 10 DKEE CCCCCCCCCCCc1onc(N)c1Br 118757808 QJUODOGSRGYVOL-UHFFFAOYSA-N 317.271 5.093 30 10 DKEE CCCCCCCCC[C@@H](NN)c1c(F)cccc1Cl 122190291 YVXHPYQLFDILGN-OAHLLOKOSA-N 300.849 5.124 30 10 DKEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1cc2ccccc2s1 126628603 IYFZJOJMPWZSMF-LLVKDONJSA-N 312.825 5.599 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1sccc1Cl 126782514 MEVSEBSBNJDSCQ-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE CSc1cccc(N[C@@H](C)c2ccc(Cl)s2)c1C#N 127018426 YHCWKILRKJSILV-VIFPVBQESA-N 308.859 5.168 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)c1sccc1C 162525860 ORWIRBRMURCHQS-GOSISDBHSA-N 309.563 6.628 30 10 DKEE CCCCCCCC1CCC(O)(C2CCC(CCC)CC2)CC1 196289276 IRSJQUGFDOYHJV-UHFFFAOYSA-N 322.577 6.875 30 10 DKEE CCCCCCCC[C@H](Cc1nc(C)c(C)s1)NCCC 228883172 PXAMXJGQHZBYEC-QGZVFWFLSA-N 310.551 5.421 30 10 DKEE C#CCCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 229640111 JSCFGFRJDNBIOX-JTQLQIEISA-N 304.648 5.101 30 10 DKEE COc1cc(CSc2ccc(Cl)c(Cl)c2)ccc1C#N 234970742 UBMARKFDZCTTCQ-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE Cc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)c(O)c1 252605810 GMLONJAXLBSQDB-UHFFFAOYSA-N 317.388 5.030 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1cccc(OCc2ccccc2)c1 310132100 YHCMLZVGDLNIAW-RXVVDRJESA-N 320.436 5.150 30 10 DKEE C=CCC(C)(C)CN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 389112243 LJBLIOOINFNUHD-JTQLQIEISA-N 320.691 5.900 30 10 DKEE C=C1CCC(CNCc2cccc(OCc3ccccc3)c2)CC1 724571095 LKAIEWLGUWPICH-UHFFFAOYSA-N 321.464 5.102 30 10 DKEE CCc1csc2c(SC(F)(F)F)cc(CC#N)cc12 725303410 JAOZSMMGZJFFPB-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CC(C)(C)c1cc(C=NNc2ccccc2)cc(C(C)(C)C)c1O 1083923395 VFKQKJNSBAUCPK-UHFFFAOYSA-N 324.468 5.433 30 10 DKEE CCCCCCCCOc1ccc(C=NNc2ccccc2)cc1 1084319970 QDGZKIDDYXGINP-UHFFFAOYSA-N 324.468 5.872 30 10 DKEE CCCCCCCCCOc1cccc(NC(=O)C2CCC2)c1 1860122144 HBBVVXJEFYTWTH-UHFFFAOYSA-N 317.473 5.555 30 10 DKEE C=CCCCCCCCCC[C@@H](N)CCOCc1ccccc1 1995325273 IHEZVMBOFSZVNK-OAQYLSRUSA-N 317.517 5.618 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cc(Br)ccc1Cl 2011353349 FNSPTVZVHCYGGK-CYBMUJFWSA-N 320.633 5.017 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(CNCCC)c(C)c1 2013174900 ZZTRYWBQLFRLIE-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(C)cc(Br)c1F 2028920474 VZVQQWWJEAXMPI-CQSZACIVSA-N 314.242 5.033 30 10 DKEE CCCCCCCCC[C@@H](O)c1sc(Cl)nc1Cl 2067715507 MIQPWUCXUXTLRS-SNVBAGLBSA-N 310.290 5.624 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)s1 2099887001 BITGJAAQODLODS-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE Cc1ccc(Br)c(C(=O)C2=CC[C@@H](C(C)C)CC2)c1 2125179388 ATCKOBMIFMXQCS-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE CCCCCCC[C@H](N)c1ccc(C(F)(F)F)c(Cl)c1 2146761961 OPKFSSCJLZDNIN-AWEZNQCLSA-N 307.787 5.719 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](O)c1ccc(Cl)s1 2147035901 APRHJLNNJWCFTC-MRXNPFEDSA-N 316.894 5.535 30 10 DKEE Cc1sc(Cl)cc1[C@@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2157110870 BFAXHRSKNWDZRL-GDBMZVCRSA-N 311.878 5.244 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc(-c2ccccc2Cl)s1 2164068957 NDFNVHZTOKLVAP-LBPRGKRZSA-N 304.842 5.854 30 10 DKEE C=CC1(CC(=O)c2cc(C(F)(F)F)ccc2Cl)CCC1 2168007038 FISDFRNUGUSWIE-UHFFFAOYSA-N 302.723 5.288 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccccc1CN[C@@H](C)CC 2217116876 PXDKLYZVIPVSSO-IBGZPJMESA-N 322.496 5.157 30 10 DKEE N#C[C@@]1(Cc2cscc2Br)CCCCC12CCC2 2220067996 SKZUZPNSBXOVTE-HNNXBMFYSA-N 324.287 5.307 30 10 DKEE C=CCCCCCCCN(C)Cc1ccccc1Br 2227274474 KDDIRVODEMCRQA-UHFFFAOYSA-N 324.306 5.408 30 10 DKEE CCCCCCCCCOC(=O)c1cc(Cl)ncc1Cl 2239553268 WYQHWIUTVXLOES-UHFFFAOYSA-N 318.244 5.296 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Cl)c(F)cc1F 2287409726 YGKKBUZTDBFNBI-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2289712975 PHLQAWUKTSBPDR-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2ccc(C)cc2C)cc1 2296875718 CRKLRPLHUQGQIF-UHFFFAOYSA-N 323.436 5.291 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1SCc1cccc(Br)c1 2318732890 VXTMEZVIRXJNPY-HIFRSBDPSA-N 324.287 5.155 30 10 DKEE CC(C)(C)[C@](C)(CS)CSCc1ccc(Cl)cc1 2327295014 PEMMCCKQUVARNK-OAHLLOKOSA-N 302.936 5.555 30 10 DKEE N#Cc1ccc(Br)cc1NCCCC1=CCCCC1 2340967472 UDZKHKQZVQCZDX-UHFFFAOYSA-N 319.246 5.013 30 10 DKEE CCCCCCC[C@@](C)(N)c1c(Cl)cc(C)cc1Cl 2353114960 XDQLURHVKAEOKP-MRXNPFEDSA-N 302.289 5.836 30 10 DKEE C=C(c1ccccc1)[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2366416438 AGMUUCGCYVGQLP-MRXNPFEDSA-N 310.199 5.106 30 10 DKEE CC[C@H]1CC=C(C(=O)CCc2cc(Cl)cc(Cl)c2)CC1 2366864356 XMQCZSAJVSYCGW-LBPRGKRZSA-N 311.252 5.632 30 10 DKEE C=CCC(C)(C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2370501873 RIKIAENIFHAQNK-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCSc2ccccc21 37766237 BSURKLWXZUGNAJ-OAHLLOKOSA-N 313.491 5.614 30 10 DKEE CCN(CC)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 59456985 LIXPIHHEPKQAGP-UDWIEESQSA-N 321.251 5.590 30 10 DKEE CCCCCCCCCCCCCCC[C@H]1OC[C@@H](CO)O1 100035309 SMZVDXMAZDUWPE-MOPGFXCFSA-N 314.510 5.202 30 10 DKEE c1ccc(/N=C2\S/C(=N\C3CCCC3)C3=C2CCCC3)cc1 103677639 IXUZGNMUJYCDGP-AUYXYSRISA-N 310.466 5.675 30 10 DKEE CCCCCCCCCOc1ccc([C@H](O)CC)cc1OC 107717338 DFJFWFQIAMZPOQ-QGZVFWFLSA-N 308.462 5.268 30 10 DKEE C[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)cc1Cl 127740129 UYGAGVVHUNJLHD-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCOc1ccc(F)c(Br)c1 137563341 SECOCYFBFZDOSW-UHFFFAOYSA-N 317.242 5.718 30 10 DKEE CCCCCCCCN[C@H](C)c1cc(Br)cs1 229855062 YXHAZSJQXKDTPX-GFCCVEGCSA-N 318.324 5.522 30 10 DKEE CCCCCCCCCc1nc2c(Br)cccc2[nH]1 311546017 KIFVHQKWIBBUHU-UHFFFAOYSA-N 323.278 5.619 30 10 DKEE CC(C)c1ccc([C@@H](C#N)C(=O)c2csc(Cl)c2)cc1 380864270 FVLAMHKISLKNPO-CQSZACIVSA-N 303.814 5.015 30 10 DKEE C=CC(C)(C)CN[C@@H](C)c1cc2cc(Br)ccc2o1 384877653 SRFQWEPKZFLQPH-NSHDSACASA-N 322.246 5.058 30 10 DKEE C=CCC(C)(C)CN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 389112245 LJBLIOOINFNUHD-SNVBAGLBSA-N 320.691 5.900 30 10 DKEE N#C[C@@H](CNc1c(Cl)cc(Cl)cc1Cl)C1CCCC1 397374603 SYSZMWZSPIQYMX-JTQLQIEISA-N 317.647 5.389 30 10 DKEE CCCCCCCCCCCC[C@@]1(O)CC[C@H](C)SC1 689400048 GLCPBIFEPKVIQE-ZWKOTPCHSA-N 300.552 5.944 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cscc1C(F)F 717242894 ICBKBUHETJZFGD-OAHLLOKOSA-N 301.446 5.863 30 10 DKEE CCCCCCCCCCNC(=O)CCSc1ccccc1 1859577851 SFUIHYNEZIHTAT-UHFFFAOYSA-N 321.530 5.426 30 10 DKEE N#Cc1c(-c2ccccc2)ccnc1Nc1cccc2ccccc12 1859833743 IPTXFFFNIHFSRP-UHFFFAOYSA-N 321.383 5.517 30 10 DKEE CCCCCCCCC[C@@]1(N)C[C@H](C)N(Cc2ccccc2)C1 1920174085 GMORTUSZRLUEOG-PZJWPPBQSA-N 316.533 5.119 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Br)c(Cl)s1 1978559770 GODQFMVBTKAFAA-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE CCCCCCCCN[C@H](C)c1cscc1Br 2013600895 NOEVEKLQBJLFGN-GFCCVEGCSA-N 318.324 5.522 30 10 DKEE Cc1cc(Br)cc(Oc2ccc(C#N)c(Cl)c2)c1 2049635431 WRCCNJONWVWANT-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(Cl)c(Cl)s2)C1 2098752854 SJIUCGLMUOKROH-LQJRIPTKSA-N 318.269 5.198 30 10 DKEE N#Cc1cc(F)c(Nc2ccc(Cl)cc2Cl)cc1Cl 2120885825 ZGNRGWPESJGJJE-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCC[C@](C)(N)c1ccc(C)c(Br)c1 2141904671 DLUFLXSBXLEHAU-KRWDZBQOSA-N 324.306 5.458 30 10 DKEE CCCCCCCCOc1ccc(Cl)c([N+](=O)[O-])c1Cl 2154625083 AMWMZQBGDDEWTP-UHFFFAOYSA-N 320.216 5.641 30 10 DKEE CCCCCCC[C@H](NCC)c1ncc(C(F)(F)F)s1 2156075234 MWPPHQCZTQPNSM-NSHDSACASA-N 308.413 5.173 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Cl)c(OC)c1F 2203415489 CLGBVCDOERVCMI-CQSZACIVSA-N 302.817 5.272 30 10 DKEE O=C(C1=CCCCCCC1)c1ccc(-c2cccs2)s1 2205861264 BVWKPXKICHIUBK-UHFFFAOYSA-N 302.464 5.940 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Cl)c(Cl)c(Cl)c1 2217613520 PUPPTZCMOVXIRE-UHFFFAOYSA-N 303.616 5.720 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(Br)cc1C 2221725934 YVXHDYRFHYIVRG-MRXNPFEDSA-N 313.279 5.326 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2236302682 WLFDOZWARVTURM-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE C=C[C@@H](CCCCC)OC[C@@H](N)c1cccc(Cl)c1Cl 2239505855 ZWBJVODCGDSOEE-SWLSCSKDSA-N 316.272 5.145 30 10 DKEE C=CCC[C@H](NCCC)c1sc(Cl)cc1Br 2244971143 IXVWYGKNSZSUMV-JTQLQIEISA-N 322.699 5.171 30 10 DKEE CC#CCCCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2265966128 YBRZRXKBRFXMEX-QGZVFWFLSA-N 322.290 5.156 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@H](N)C#Cc1cccc(Cl)c1 2286472624 BLLJRVOOTANGQM-MRXNPFEDSA-N 324.638 5.007 30 10 DKEE C=CCCCC[C@H](OCCCN)c1ccc(Cl)cc1Cl 2294419780 NUSGWGCEDUEORZ-INIZCTEOSA-N 316.272 5.146 30 10 DKEE C=CC[C@@H](C)Oc1c(Cl)cc(CN[C@H](C)CC)cc1Cl 2296254031 SBHIUAYRCMUJFM-VXGBXAGGSA-N 316.272 5.225 30 10 DKEE CCCCC[C@H]1CC[C@@H](c2ccc(-c3ccc(C#N)cc3)cc2)C1 5170730 SFJNPWUINCHGCX-FDDCHVKYSA-N 317.476 6.689 30 10 DKEE Cc1ccc([C@H]2CC(=O)C=C(Nc3cc(C)cc(C)c3)C2)cc1 17031226 UFSQFHSVIWROJW-GOSISDBHSA-N 305.421 5.054 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccccc2Br)C1 87972440 WLFFNOHOOVFWAO-CZUORRHYSA-N 306.247 5.102 30 10 DKEE N#C[C@H](C(=O)c1cc2sccc2s1)c1ccc(Cl)cc1 123592519 OPRWGTWHOQUPQA-NSHDSACASA-N 317.822 5.106 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(C)c(C)cc1Cl 125520871 QESYWWVNROOUIN-IBGZPJMESA-N 309.925 6.358 30 10 DKEE CCCCCCCOc1cc(Br)ccc1C(C)=O 127910089 VNGNNFFLXXDKNJ-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(Br)c(Cl)c1 167820033 UQTJQCAMNJSDTC-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(Br)ccc1C 229753183 KHDKYDWWWNEHLY-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C[C@@H](Nc1cccc(CC#N)c1)c1cc(Cl)sc1Cl 313426328 KZYCBWJKTBYTIK-SECBINFHSA-N 311.237 5.294 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1c(Cl)cccc1Cl 400807989 IMOZZSARIKTVJM-SECBINFHSA-N 309.171 5.177 30 10 DKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)C1=CCCCC1 405883290 LQVUFOZRWXBKRD-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE C#CCCCCC[C@H](NCCC)c1ccc(Br)cc1 686678237 NIVNAPTUTPAZCA-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=CC(C)(C)CCN[C@@H](CC)c1ccc(Cl)c(Cl)c1 701890690 JZUJKIWDARYVKH-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE C[C@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)c(Cl)c1 718512268 YERBUTOSWUJERW-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C1CCC(CNc2ccccc2OCc2ccccc2)CC1 724570583 DUGRFWVIMTZSPG-UHFFFAOYSA-N 307.437 5.424 30 10 DKEE C=C1CCC(CC(=O)c2cccc(Br)c2C)CC1 724594719 HRBNXUPAIPLGRS-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C(=Nc1ccc(N=Nc2ccccc2)cc1)c1c[nH]c2ccccc12 1083958131 FPPIYLOWELTTMI-UHFFFAOYSA-N 324.387 6.334 30 10 DKEE CC1(C)CC[C@H]([C@@H](C#N)Sc2ccc(Br)cc2)C1 2037682757 ODJHECLUEPYHRB-SMDDNHRTSA-N 324.287 5.260 30 10 DKEE C=C(Cl)C[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2107917403 QTOYHDAUWVFGOE-CYBMUJFWSA-N 312.265 5.472 30 10 DKEE C=CC1(CC[C@H](NCC)c2ccc(Br)cc2)CCC1 2113418211 QPMYPEVWWCRGFX-INIZCTEOSA-N 322.290 5.236 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1ccc(Cl)cc1Cl 2173630924 ZBYZGSCDSBLYER-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE CCC(CC)(CC)c1sc(C#N)c(N)c1-c1cccs1 2182275652 NBVYBAITTMCMTA-UHFFFAOYSA-N 304.484 5.398 30 10 DKEE CCCCCCCCCCCCS[C@@H]1CCC[C@@H](O)C1 2189932766 AYVJZNNGUPRPGO-QZTJIDSGSA-N 300.552 5.944 30 10 DKEE C=CCN(Cc1sc2ccccc2c1Cl)C1CCCC1 2195824327 RLHRRQHESAJCLL-UHFFFAOYSA-N 305.874 5.485 30 10 DKEE CCCC#CC[C@H](NCCC)c1cc(C(F)(F)F)cs1 2203808227 ULXCJEJCDMEKOR-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C=C1CC(C[C@@H](NCC)c2ccc(-c3cccs3)s2)C1 2205876082 DIWPXZUJUWPIPW-CQSZACIVSA-N 303.496 5.484 30 10 DKEE C=C(C)CCCC[C@H](N)c1sc(C)c(C)c1Br 2250167289 RFUGBPYKKKBVLF-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE C=CCCCCCCCSc1c(N)ccc(F)c1Cl 2271582845 RTHGHSGPXSIYEM-UHFFFAOYSA-N 301.858 5.680 30 10 DKEE CCCCCCCCC[C@](C)(N)c1cc(C(F)F)cs1 2295601209 MBBCAJXASUOMOJ-INIZCTEOSA-N 303.462 6.000 30 10 DKEE C=CCC(CC=C)SCC(=O)c1ccc(Cl)c(Cl)c1 2335245681 QBFBYPVQNQPHJJ-UHFFFAOYSA-N 315.265 5.430 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(OC)c(Cl)s1 2340268051 OUHCTQZJZVEEGY-LBPRGKRZSA-N 301.883 5.327 30 10 DKEE C=C(C)C[C@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2341928737 KPZOXTQKYRGGHC-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C#CC[C@@H](C[C@@H](NC)c1ccc(Cl)c(Cl)c1C)C1CC1 2364403878 AKABXAAGYGSAKS-XJKSGUPXSA-N 310.268 5.002 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc2cscc2s1 2365093062 JXNNZRSUHPDFIC-KBPBESRZSA-N 303.496 5.053 30 10 DKEE CC#CCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366817524 DVNPAIRKHTUGGY-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cc(Cl)c(C(F)F)s1 2371320069 IDSDZDRAZQCQFW-ZDUSSCGKSA-N 321.864 5.982 30 10 DKEE C=CCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 40210398 NRRUNFPXQPDCDR-UHFFFAOYSA-N 324.427 5.403 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ccccc1Cl 109739031 WPPFQQQMOKCGLG-IBGZPJMESA-N 309.925 6.651 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCCC[C@H]1C(C)(C)C 109901111 CAEJPYLQPXVTDN-CVEARBPZSA-N 303.515 5.982 30 10 DKEE CCCCCCCC[C@H](CO)c1cccc(Br)c1 118660006 NPPLRCXKHOXSBX-OAHLLOKOSA-N 313.279 5.276 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(Br)o1 124996855 XFBJGKLQMNGMFR-LBPRGKRZSA-N 302.256 5.053 30 10 DKEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CCCS1 130091437 JVDMGQAFPKXWMR-IRXDYDNUSA-N 300.556 5.025 30 10 DKEE C=CC[C@H]1C/C(=C\c2ccccc2)CCN1C(=O)OC(C)(C)C 212517778 YCLFBBSNFWMYFT-DNKLCNGGSA-N 313.441 5.046 30 10 DKEE CCCCCCCC(=O)c1ccc(F)c(F)c1Br 231866969 BBCVDCPFYNCBOE-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccccc2Cl)C1 233310199 COWLDJWVLDGXCY-KEYYUXOJSA-N 307.890 5.682 30 10 DKEE C=CCCCCC[C@H](NC)c1cccc(C)c1Br 234441011 TZMZIESQUZSZLN-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE N#Cc1ccc(N[C@@H]2CCCc3sc(Cl)cc32)c(Cl)c1 236086673 JFZZLISPINQRQU-GFCCVEGCSA-N 323.248 5.416 30 10 DKEE CC(C)C1CCC(C=O)(Cc2ccc(Cl)cc2Cl)CC1 316769408 DSLKRSOJZDMPOY-UHFFFAOYSA-N 313.268 5.567 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)CC1(CS)CCCCC1 387446693 TVACWUVLPZYRMZ-QGZVFWFLSA-N 305.531 5.167 30 10 DKEE Cc1cc(Cl)c(NC[C@H](C#N)C2CCCCC2)cc1Cl 397185672 JDPMNTAQODBBTP-ZDUSSCGKSA-N 311.256 5.434 30 10 DKEE CC[C@H]1NC(=Nc2cc(Cl)c(Cl)c(Cl)c2)S[C@@H]1C 404182706 ADBGZBHQQHHCOA-LHLIQPBNSA-N 323.676 5.138 30 10 DKEE C[C@H](Nc1cc(F)cc(C#N)c1)c1cc(Cl)sc1Cl 718629374 QSWCARMQCIDPTJ-ZETCQYMHSA-N 315.200 5.239 30 10 DKEE CCCCCCCOc1ccc(-c2cscn2)cc1[N+](=O)[O-] 1857849361 MTGWCZDPENGMOU-UHFFFAOYSA-N 320.414 5.068 30 10 DKEE CCCCCCCCC[C@@H](N)[C@@](C)(O)c1ccc(Cl)s1 1920282287 BKBVCBCBAODKGC-CZUORRHYSA-N 317.926 5.077 30 10 DKEE CC#CCCCC[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 2019508320 HCUZQKRWLPONQY-JOCHJYFZSA-N 322.448 5.057 30 10 DKEE CCCCCCCCCC[C@H](NC)c1scnc1Cl 2107888398 FLNWJFBQUPWHLJ-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE FCCCC1CCN(CCCCCCCCCS)CC1 2160832156 ZRHGGUYQMWGGKE-UHFFFAOYSA-N 303.531 5.109 30 10 DKEE C=C(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(C)(C)C 2164072199 NZAPMGYQUDZBGH-UHFFFAOYSA-N 304.842 5.854 30 10 DKEE C=CCCCCCCCN1CCC(OCc2ccccc2)CC1 2211143830 VIZAYQOIWGPLSG-UHFFFAOYSA-N 315.501 5.194 30 10 DKEE C=CCCCCCCC[C@H](NC)c1snc(Cl)c1Cl 2227270370 DTUWTWZQWRVCCN-NSHDSACASA-N 321.317 5.627 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(Cl)c(C)c1F 2240615980 LCXZIUUDVGRNQV-QGZVFWFLSA-N 300.845 5.746 30 10 DKEE CCCCCCCC[C@](C)(O)[C@H](NC)c1ccsc1Cl 2240666336 LVQAAHWAMDYENX-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@H](N)c1scc(Br)c1Cl 2242657663 YXWLQBZKXGLFCO-JTQLQIEISA-N 324.715 5.524 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1OC 2264363320 SXUMCYCGKPPUOF-CQSZACIVSA-N 304.261 5.362 30 10 DKEE C=CCCCCCC[C@@H](OCC(=O)O)c1ccc(Cl)s1 2292434447 UTGFSOIQJUCBQN-GFCCVEGCSA-N 316.850 5.070 30 10 DKEE CCCCCCCCC[C@H](OCCN)c1ccsc1Cl 2294461349 NGBQVBZXDARJAF-HNNXBMFYSA-N 317.926 5.559 30 10 DKEE CCCCCCCCC=CCCCCCCCCCCCC#N 2296444689 WNVYKFYGFCBJSI-UHFFFAOYSA-N 319.577 8.108 30 10 DKEE N#C[C@H](CSCc1ccc(Br)cc1)C1CCCC1 2318740633 VGRJTSDXYRGJPF-CQSZACIVSA-N 324.287 5.012 30 10 DKEE CC(C)c1ccc(C(=NOCc2cccc(C#N)c2)C2CC2)cc1 2330303531 FUPDWXPFKBNUNR-UHFFFAOYSA-N 318.420 5.013 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)Cc1ccc(Cl)c(Cl)c1C 2344465232 MQGJEFNPQOKDAL-GOEBONIOSA-N 301.257 5.198 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2353056532 JTGQKUXQJJQVCE-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cccc(Cl)c1Cl 2364089672 OFRDANMSAAUGJM-QGZVFWFLSA-N 312.284 5.803 30 10 DKEE Cc1c([C@H](N)CC#CC2CCCCC2)ccc(Cl)c1Cl 2364396892 HWPSIGFHHRPVFN-MRXNPFEDSA-N 310.268 5.275 30 10 DKEE Brc1ccc(/N=C/c2cccc3ccccc23)cc1 34500846 HSHQJVWYIBCSBM-XDHOZWIPSA-N 310.194 5.353 30 10 DKEE CCC[C@H](Nc1cccc(F)c1C#N)c1ccc(Cl)cc1 36138429 ZVYKCDUIKMBPHF-INIZCTEOSA-N 302.780 5.304 30 10 DKEE Cc1ccc(Cl)c(/N=C2/N[C@H](CC(C)C)CS2)c1Cl 40795396 MGHRAIJSZFOBPO-SNVBAGLBSA-N 317.285 5.040 30 10 DKEE SC[C@@H](COc1cccc(Cl)c1Cl)c1ccccc1 94584103 SZGCKYNOAGHTRV-GFCCVEGCSA-N 313.249 5.086 30 10 DKEE C=C(CC)C[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 97208487 PGSPADYJTJLYIJ-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Br)cc1C 109752433 YFUFUOOVZXQCIA-CQSZACIVSA-N 312.295 5.918 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H]1SCCS[C@H]1CC 162415641 JNWQLGHACCUDKI-YESZJQIVSA-N 317.608 5.342 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Br)ccc1Cl 167742404 FDRYJVQSFUTRIJ-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)c2ccsc2S1 216997223 CYJUESIKVIPYCT-LKFCYVNXSA-N 320.870 5.311 30 10 DKEE Cc1ccccc1C=Nc1ccccc1N=Cc1ccccc1C 254379656 FFWYRUBVIVJDBR-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE CCCCCCCCOCc1ccc(Br)cc1C#N 311569267 BPPPQKCXCPDCIL-UHFFFAOYSA-N 324.262 5.198 30 10 DKEE CCCCCCCCCC[C@]1(O)CCN(Cc2ccccc2)C1 381754512 DMLSSQLGHJFSIA-NRFANRHFSA-N 317.517 5.154 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccccc1)[C@@H](C)CC 387377062 HBKRDDQFFMODPO-SFHVURJKSA-N 321.574 5.804 30 10 DKEE N#Cc1c(Cl)cccc1Nc1ccc(SC(F)F)cc1 690186204 ZPSVFGZEYUJSOE-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE C=C(CNc1cccc(Br)c1Cl)c1ccccc1 690787220 BHAWGUYJFRHDNB-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1N[C@H]1CCCC[C@H]1C#N 691170088 DQVPKAHSZLGVGC-RXVVDRJESA-N 320.436 5.068 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(C)cc(Br)c3)C[C@@H](C1)C2 697308716 MAJSREZLRHPFAZ-VMZNBEPHSA-N 320.274 5.304 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(Br)s1 703949532 VPNIAWQVAYDCSV-NSHDSACASA-N 316.308 5.154 30 10 DKEE CC(C)C(C#N)(C(C)C)N(C(=O)OC(C)(C)C)C1CCCCC1 710722923 BGCBMLSNYFSPIT-UHFFFAOYSA-N 322.493 5.131 30 10 DKEE CCCCCCCCNC(=O)C1(Cc2ccccc2)CCCC1 1866200959 MJQYOAAGGJLZLW-UHFFFAOYSA-N 315.501 5.266 30 10 DKEE C[C@H](c1cccs1)N(CCCCCS)Cc1ccccc1 1915087198 RXJUZWCVHBRAIJ-MRXNPFEDSA-N 319.539 5.411 30 10 DKEE C=CCCC(C)(C)CN[C@H]1CCCC[C@@H]1OCc1ccccc1 1977459295 CQMYRFUWLGSLPA-PMACEKPBSA-N 315.501 5.096 30 10 DKEE CCC(C#N)(CC)Cc1ccc(Cl)c(Br)c1F 2001856527 IOMLMRKTMAFCTG-UHFFFAOYSA-N 318.617 5.114 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1sccc1Br 2005587610 YFLDBPYAEHXMEJ-CQSZACIVSA-N 312.276 5.163 30 10 DKEE C=CCCCC[C@@H](NCC)c1cccc(OCc2ccccc2)c1 2009492834 BNQKIXOLGWVKAH-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE N#CC1(Sc2ccccc2Br)CC(C2CCC2)C1 2029297370 XKTKWZIUGALIIZ-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Br)o2)CC1 2039379300 YNIZHFYRIYNXGJ-OAHLLOKOSA-N 310.235 5.085 30 10 DKEE CC[C@@H](c1ccc(C)cc1C)n1nc(-c2ccccc2)cc1C#N 2070131774 QJECVLKOOPPBAX-NRFANRHFSA-N 315.420 5.038 30 10 DKEE FC1(F)CCC(SC[C@H](CS)c2ccccc2)CC1 2088611962 GHFXLPBVIVXLMB-ZDUSSCGKSA-N 302.455 5.011 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1scc(Cl)c1Cl 2096220033 DIZIROLGUIFYAZ-CYBMUJFWSA-N 322.301 5.077 30 10 DKEE C=C(C)CC[C@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2103481298 FTMMUVBGIPAYTJ-VIFPVBQESA-N 303.189 5.058 30 10 DKEE CCCCCCCC[C@H](O)C(=O)c1cc(Cl)sc1C 2142466737 KQPHVXKHLGWBPR-ZDUSSCGKSA-N 302.867 5.004 30 10 DKEE CCCCCCCCCC[C@H](O)c1c(Cl)cncc1Cl 2149796025 ZHPDFNAHRZONSD-HNNXBMFYSA-N 318.288 5.953 30 10 DKEE C#C[C@H](Nc1cc(Cl)c(F)c(Cl)c1F)c1ccccc1 2200734567 WRDGRYPVEPTLRI-NSHDSACASA-N 312.146 5.058 30 10 DKEE CCCC#CC[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203968466 AXFQSURSYSSSID-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H]1SCCS[C@@H]1CC 2207438655 UGITWSLDSFHOTF-BBWFWOEESA-N 315.592 5.248 30 10 DKEE CCCCCCCCCOc1ccc(N)c(Br)c1 2223191467 BYNUJPAQQONGME-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE C=CCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 2227278518 AAZVDUIBQPBHSC-DZKIICNBSA-N 300.533 5.098 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2237817759 PFQZUGZXZDLELM-QGZVFWFLSA-N 317.300 6.342 30 10 DKEE CCCCCCCCCCCCOC[C@@H](N)C1(Cl)CC1 2239554141 IHJISDVRISOVPH-MRXNPFEDSA-N 303.918 5.023 30 10 DKEE C=C(Br)CCOc1cccc(-c2ccccc2)c1 2258724248 WWMGFIFTPMCZSO-UHFFFAOYSA-N 303.199 5.031 30 10 DKEE C=CCCSC[C@@H](NCCC)c1c(Cl)cccc1Cl 2271595702 ATPCQSVVSMLACR-CQSZACIVSA-N 318.313 5.343 30 10 DKEE Cc1cc(Nc2cc(Cl)ccc2C#N)c(Cl)cc1Cl 2277452906 BLHNTGHCANDLSY-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CN[C@@H](C#CC1CCCCC1)c1cc(Cl)c(Cl)cc1C 2289781519 LRGRXFZRPSKDAH-KRWDZBQOSA-N 310.268 5.146 30 10 DKEE C=C(CC)COc1c(Cl)cc(CNCC(C)C)cc1Cl 2296257472 JKDOLMHWTFYIBY-UHFFFAOYSA-N 316.272 5.084 30 10 DKEE CCc1ccc(C=C2CCC(=Cc3ccc(CC)cc3)C2=O)cc1 2297333941 JVJMHUCDTNTGGY-UHFFFAOYSA-N 316.444 5.641 30 10 DKEE CC(C)C[C@H](CS)COCc1ccc(Cl)cc1Cl 2328525925 OVTXECLIGLZRBC-NSHDSACASA-N 307.286 5.102 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)c(Cl)cc1Cl 2344338996 FLLRLAKWXSMIBJ-HUUCEWRRSA-N 320.691 5.900 30 10 DKEE CCCCCCCCC[S@](=N)(=O)CC1CCC(C)CC1 2360453942 MRUWTXSDDAHDSY-UHYCVJNDSA-N 301.540 5.610 30 10 DKEE Cc1c(C[C@]2(C#N)CCCCC2(C)C)ccc(Cl)c1Cl 2364002566 TTXVDZYJZNDDOD-KRWDZBQOSA-N 310.268 5.955 30 10 DKEE CC[C@H](OCC(C)(C)CS)c1ccc(C(F)(F)F)cc1 2369777971 LENDMZAYJMUKHB-ZDUSSCGKSA-N 306.393 5.129 30 10 DKEE Cc1ccsc1/C=N/c1ccc(C(=O)c2ccccc2)cc1 288329 JDNHXSDWMUMYBX-DEDYPNTBSA-N 305.402 5.038 30 10 DKEE CSc1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)c2)cc1 36973077 KVPYUFSFZDOMOC-LLVKDONJSA-N 302.830 5.107 30 10 DKEE C=CCCC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 71276974 SGZCIFXBUIHRTA-ZDUSSCGKSA-N 300.273 5.260 30 10 DKEE CCCC(CS)(CCC)COc1ccccc1C(C)(C)C 94582457 WEKDCYHUTFOFDN-UHFFFAOYSA-N 308.531 5.879 30 10 DKEE CN(CCCCCCCCCS)Cc1ccccc1Cl 97799454 LARATOMFYHLRNJ-UHFFFAOYSA-N 313.938 5.432 30 10 DKEE CCCCCCCOc1ccccc1[C@H](C)NCC(C)(C)C 100047889 SEWZVUPPTDLKCF-KRWDZBQOSA-N 305.506 5.733 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cccc(Cl)c1F 113940806 SUSIDJBNSZKRRV-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCC[C@@H](N)COc1ccc(Cl)cc1 143412228 HSWZPRCDCCEDHH-QGZVFWFLSA-N 311.897 5.577 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1F 158928763 CMMAIXMEDSNRDI-QGZVFWFLSA-N 317.851 6.019 30 10 DKEE CCCCCCCC[C@H](Cc1cccc(Cl)c1F)NCC 212395853 UOTSGUOUCKKKIM-MRXNPFEDSA-N 313.888 5.750 30 10 DKEE N#Cc1ccc(Oc2cccc3ccccc23)c(Br)c1 213328213 OYYIVHWEUGGYPV-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2 226834104 YZHDEBJQFFZIAQ-TXTKFYIRSA-N 322.411 5.538 30 10 DKEE C(=Nn1c2ccccc2c2ccccc21)c1cccc2ccccc12 254340865 MPUVYOZABLEZFS-UHFFFAOYSA-N 320.395 5.830 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccsc1C(F)(F)F 394916108 RTSOWAJGIIYWEZ-CYBMUJFWSA-N 307.425 5.778 30 10 DKEE C(/C=C/c1ccccc1)=NN(Cc1ccccc1)c1ccccc1 606346841 OHYTVNQRPCPPCG-HTYYESGYSA-N 312.416 5.392 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cccc(C)c2Br)CC1 724602355 JZVJRAKKALPXTH-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE CSc1cc2c(C#N)csc2cc1SC(F)(F)F 725292082 LPPBIVMXIPLVQR-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE N#CCc1cc2ccc(C(F)F)c(SC(F)(F)F)c2s1 725297526 SJVPXGZAMPPDDA-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE CCOc1ccc(Cl)cc1/C=C/C(=O)c1ccc(F)c(C)c1 1874581318 HREARRIFEKRRHQ-VMPITWQZSA-N 318.775 5.082 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1990780157 YREJTNFBXNJEQU-FQEVSTJZSA-N 317.561 6.674 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)c(Cl)s1)[Si](C)(C)C 2038534426 UTFAZGNOTDMMIN-LBPRGKRZSA-N 322.377 5.529 30 10 DKEE C=CCCCCCC[C@](C)(N)c1ccc(Br)cc1 2085842002 MORGEDSGAJAFLT-INIZCTEOSA-N 310.279 5.150 30 10 DKEE C=C1CCC(N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 2101212415 NSOIJCHZHGVONU-JTQLQIEISA-N 302.220 5.282 30 10 DKEE C[C@H]1C[C@@](C#N)(CCc2cc(Cl)cc(Cl)c2)CCS1 2103457523 BYXGTBLFHOIMPI-XHDPSFHLSA-N 314.281 5.351 30 10 DKEE C=CC[C@@H](C)C(=O)c1ccc(-c2ccc(Br)cc2)o1 2107823676 LOWKHLPKRINMMH-LLVKDONJSA-N 319.198 5.104 30 10 DKEE C=CCCCCCC[C@@H](NN)c1cc(Cl)ccc1Cl 2141921819 CXLWNLQODVOWGS-OAHLLOKOSA-N 301.261 5.024 30 10 DKEE C#CC[C@H](C[C@](O)(CC)c1ccc(Cl)c(Cl)c1)C1CC1 2196732385 PZJJIPVGHSNYTN-CXAGYDPISA-N 311.252 5.031 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1cc2cscc2s1)C1CC1 2196850108 SYFUSBCPJCFFQY-ZFWWWQNUSA-N 303.496 5.053 30 10 DKEE CCCN[C@@H](C)c1cc(-c2ccc(Cl)c(C#N)c2)cs1 2197931144 MKZSUEXGWMCUAN-NSHDSACASA-N 304.846 5.001 30 10 DKEE C=CCCCCC[C@H](N)c1cc(Br)cc(C(C)C)c1 2265956894 OEOYBOHCMCDJHQ-KRWDZBQOSA-N 324.306 5.709 30 10 DKEE Cc1cc(Cl)c(Cl)cc1Nc1ccc(Cl)cc1C#N 2266767214 SSSXTDOFLIVDHG-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CN(CCCCCCCS)CC[C@H](C(F)F)C(C)(C)C 2294770993 QJPZSCAIMJHJMV-CQSZACIVSA-N 309.510 5.116 30 10 DKEE CCCCCCCCC[C@H](C)N[C@@H](C)c1ccc(Cl)s1 2295684030 HPBLUHSLFWENOM-GJZGRUSLSA-N 315.954 6.581 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(C)c(Br)cc1C 2321115294 DTJZASMCODHMGR-JKSUJKDBSA-N 310.279 5.058 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Br)cc1CC 2321221450 ADSCGYOVPIIKKB-HZPDHXFCSA-N 311.263 5.037 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2344336250 HRVGVHPSNSEPLS-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE CCSc1nc(CC(C)C)cc(-c2ccc(F)cc2)c1C#N 96887942 SQPWLYAFSUHEAY-UHFFFAOYSA-N 314.429 5.070 30 10 DKEE CCCCCCCCOc1ccc([C@@H](CC)NCCC)cc1 100047335 QOHCTJVZZSQPCL-HXUWFJFHSA-N 305.506 5.877 30 10 DKEE CCCCCCCCCC[C@H](Cc1cccc(Cl)c1)NC 109720832 RZBZVDNXICKKMG-LJQANCHMSA-N 309.925 6.001 30 10 DKEE CCCCCCCCCCCC[C@@H](N)Cc1csc(C)n1 109743057 AXQSDSZUWQFKAD-QGZVFWFLSA-N 310.551 5.632 30 10 DKEE CCCCCCC[C@H](C)Nc1c(Cl)cc(Cl)cc1Cl 109769387 VFCBDHWILPMBAD-NSHDSACASA-N 322.707 6.808 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1ccc(F)cc1Cl 112887774 ATSRTGBKNXMOQQ-MRXNPFEDSA-N 300.845 5.523 30 10 DKEE CCCCCCCCCC[C@@H](CS[C@@H](C)CC)NCC 115645945 WXIVCWCSBGBCDD-ROUUACIJSA-N 301.584 6.027 30 10 DKEE CCSc1cccc(N[C@@H]2CCCC[C@@H]2C(C)C)c1C#N 136689011 JJFQWYQOUYQXSM-GDBMZVCRSA-N 302.487 5.297 30 10 DKEE N#Cc1ccc(Cl)c(NCc2c(Cl)oc3ccccc23)c1 164495575 WUDCRMJPWODLBI-UHFFFAOYSA-N 317.175 5.223 30 10 DKEE CSc1ccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@@H]32)cc1 226806889 PGFLWAVTLJFTGD-AOIWGVFYSA-N 318.445 5.107 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ncccc2Cl)C1 227473096 JIAUDNAHEVBEBI-GUTXKFCHSA-N 322.905 5.572 30 10 DKEE Cc1cc(Oc2cc(C)c(Br)c(C)c2)ccc1C#N 235845581 BGHREQDBWMLECQ-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(Cl)cc1Br 236549749 OOQZKSLXVRRJTR-CQSZACIVSA-N 317.654 5.272 30 10 DKEE CCCCCCCCNC[C@H](c1ccccc1)N(CC)CC 257627565 BPNSTNCABGXMQH-HXUWFJFHSA-N 304.522 5.020 30 10 DKEE C[C@@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CCCCCC1 307886311 AKRHTWCUGQVKBY-OAHLLOKOSA-N 312.240 5.065 30 10 DKEE C=CCC(C)(C)CN[C@@H](C)c1ccc(OCc2ccccc2)cc1 310566735 MGXRYLXTMHAKCA-SFHVURJKSA-N 323.480 5.519 30 10 DKEE CCCCCCCCCCCC[C@H](O)COCc1ccccc1 395515762 WVVOHJKLCMEYHO-NRFANRHFSA-N 320.517 5.875 30 10 DKEE CC(C)(C)c1ccc(N=Cc2ccc(N3CCCC3)cc2)cc1 1084470082 IPHKITRCCUHVSS-UHFFFAOYSA-N 306.453 5.335 30 10 DKEE C=C[C@@H]1CCCCN1CCSc1cc(Cl)ccc1Cl 1884135238 YKFCNOSYFJHMHR-CYBMUJFWSA-N 316.297 5.126 30 10 DKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](C)C(C)(C)C)NCCC 1922079827 JBTRFIHWYNMGDM-UYAOXDASSA-N 317.517 5.200 30 10 DKEE CCCCCCC[C@]1(O)CC(C)(C)[C@@H]1OCc1ccccc1 1934904786 STKWSSAJUKLCAH-ICSRJNTNSA-N 304.474 5.093 30 10 DKEE N#C[C@@H](CN(Cc1ccccc1)C1CCCCC1)C1CCCCC1 1946852227 STOCOLGDRCWJQW-NRFANRHFSA-N 324.512 5.541 30 10 DKEE CC1(C)CC[C@H]([C@H](C#N)Sc2ccccc2Br)C1 2037683976 WTQAJCDHHYRIKM-FZMZJTMJSA-N 324.287 5.260 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Br)c(C)c1 2102112338 RTHJTMIMSIQOHA-SUMWQHHRSA-N 324.306 5.401 30 10 DKEE C[C@H](c1ccc(Br)cc1)C1(C#N)CCC2(CC2)CC1 2120101849 NNDWNSSXQQTZNA-CYBMUJFWSA-N 318.258 5.417 30 10 DKEE C=CCCCCCCCCCC(=O)[C@@H]1CSCCS1 2142441381 LUPQPMKUZBOIND-INIZCTEOSA-N 300.533 5.101 30 10 DKEE CCCCCCCC[C@@H](NCC)c1c(Cl)cncc1Cl 2164097462 NNMKCCROEKKYSR-OAHLLOKOSA-N 317.304 5.790 30 10 DKEE CCCCCCCCCCC[C@H](O)c1ncc(Cl)n1C 2166107170 AWCZBWQSGOOFOA-AWEZNQCLSA-N 300.874 5.028 30 10 DKEE C=CC1(CC(=O)c2ccc(SC(F)(F)F)cc2)CCC1 2167997307 CUCDFEHDYLVMLK-UHFFFAOYSA-N 300.345 5.228 30 10 DKEE CC#CCCC[C@H](NCCC)c1ccsc1C(F)(F)F 2194058767 JGNKQLVMITYEID-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE N#CC[C@@H](Nc1ccc(Cl)c(Cl)c1F)c1ccccc1 2197909621 WSDIGORYLFKELS-GFCCVEGCSA-N 309.171 5.199 30 10 DKEE CCCC(CCC)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203959319 YUYWLIZYWTVKEL-OAHLLOKOSA-N 312.240 5.386 30 10 DKEE C=CCCCCCCCC[C@H](NC)[C@@H]1SCCS[C@@H]1C 2207436279 MEYKSPZYUQWRBL-IXDOHACOSA-N 315.592 5.118 30 10 DKEE CCCCCCCCCOc1cc(C(F)F)nc(Cl)n1 2239439049 MGHAOCLCOXPYHA-UHFFFAOYSA-N 306.784 5.197 30 10 DKEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1cc(Cl)cs1 2290368253 KKJSWLPPKFYFIW-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE Cc1c(Cl)ccc(N=C2N[C@](C)(C(C)C)CS2)c1Cl 2340145291 CDQPEQIADXJOQF-AWEZNQCLSA-N 317.285 5.040 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2340793753 IJLSXPJACPGGAM-CQSZACIVSA-N 304.236 5.530 30 10 DKEE C=CCCCSc1ccc(C)c(Cl)c1CN[C@@H](C)CC 2360723193 VSAJTYYBKCAFPN-AWEZNQCLSA-N 311.922 5.595 30 10 DKEE C#Cc1ccccc1NCCCc1cc(Cl)cc(Cl)c1 2366837970 SWTYPJVUQJKGGX-UHFFFAOYSA-N 304.220 5.019 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)CCCc1cc(Cl)cc(Cl)c1 2370601394 CQIINYQXKYHMDQ-IRXDYDNUSA-N 315.284 5.669 30 10 DKEE Fc1ccc(N/N=C/c2cccc(Oc3ccccc3)c2)cc1 6674981 PMZHPELXHAYOSY-KGENOOAVSA-N 306.340 5.064 30 10 DKEE CSc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)cc1 14551788 YPCHZHSFIHKDNY-ZWOKBUDYSA-N 318.445 5.107 30 10 DKEE CC[C@@H](Nc1cccc(C#N)c1)c1ccc(Cl)cc1Cl 35624999 FGFXIIJSRHNOEE-MRXNPFEDSA-N 305.208 5.428 30 10 DKEE Cc1cc(Cl)ccc1Nc1ccc(C#N)c(C(F)(F)F)c1 36805586 LJIGMGXQHCVSCH-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE COc1ccc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)cc1 37155053 YNZFRVOSMZLQCH-GRDNDAEWSA-N 303.471 5.142 30 10 DKEE Cc1ccc(C)c([C@H](C#N)Cc2c(Cl)cccc2Cl)c1 57724721 PCYDNHJEANJVSP-ZDUSSCGKSA-N 304.220 5.460 30 10 DKEE CCOc1ccc(C[C@@H](C#N)c2cccc3ccccc23)cc1 57755420 MTIPSCVKVFNISR-SFHVURJKSA-N 301.389 5.088 30 10 DKEE CCCCCOc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1 83204778 OXSGZVCXDHWCSC-OVCLIPMQSA-N 324.420 5.160 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cc(C)cc(C)c1 105741477 IJDXBPCQBOCKGD-UHFFFAOYSA-N 303.490 6.163 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 109738704 BXYFSRUSDUFPES-HNNXBMFYSA-N 316.316 5.875 30 10 DKEE CCCCCCCO[C@@H](CNC(C)C)c1ccc(Cl)cc1 110067952 LHOKEZCZBCRFLY-SFHVURJKSA-N 311.897 5.366 30 10 DKEE N#Cc1oc2c(Cl)cc(Cl)c(Cl)c2c1-c1ccccc1 110162028 WENPDAKXSCFNAF-UHFFFAOYSA-N 322.578 5.932 30 10 DKEE CCCCCCCNc1c(F)cc(Br)cc1F 115094122 YUBWXSXAGWTQJD-UHFFFAOYSA-N 306.194 5.110 30 10 DKEE CCCCCCCCC[C@@H](NN)[C@@H]1CCCc2sccc21 122224306 QXIFYWKRSBXISK-NVXWUHKLSA-N 308.535 5.141 30 10 DKEE CC(C)CC(CC(C)C)Nc1ccc(Br)cc1C#N 132136127 LLYZGAGDZHYXQP-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)[C@@H]1CCSC1 143496317 VUZGURFFPUTOJN-MOPGFXCFSA-N 313.595 6.029 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232917107 RNOPBLODNGQBIS-UXLLHSPISA-N 316.576 5.712 30 10 DKEE CSc1cc([C@H](CC#N)C2CC2)cc(SC)c1SC 260657549 QKIJNISLCYRBHW-GFCCVEGCSA-N 309.525 5.260 30 10 DKEE Cc1ccc(CC2(C#N)CCC(C)CC2)cc1Br 314216442 QOAWUKLXEHLMAX-UHFFFAOYSA-N 306.247 5.020 30 10 DKEE CCCCCCCCC(=O)c1cc(Br)oc1C 396718006 SLNFYAGNZVUTBR-UHFFFAOYSA-N 301.224 5.284 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404319267 KOOMGXYSUINLQR-RNCFNFMXSA-N 317.647 5.531 30 10 DKEE CCCCCCCCOC(=O)c1cc(Cl)cc(F)c1F 690973022 ZWSBJUWGWOIOIC-UHFFFAOYSA-N 304.764 5.136 30 10 DKEE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(Br)c1 691074348 JKWBLRIKTAAXEK-WBMJQRKESA-N 321.262 5.092 30 10 DKEE CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)[C@@H](C#N)C(C)(C)C 698855680 GPLSMNUJOOQYJM-AWEZNQCLSA-N 322.836 5.020 30 10 DKEE CCCCCCC[C@H](CCCOCc1ccccc1)NCC 719126941 IHFDCBLBHNQTEB-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE CC(C)c1ccc(/C(=N/OCc2ccc(F)cc2)C2CC2)cc1 821229816 QLGIJGZKBQIQLU-XDOYNYLZSA-N 311.400 5.280 30 10 DKEE C(#CC1CCCCC1)CN(Cc1ccccc1)Cc1ccccc1 1953194011 RUUKXQJGLHAFTC-UHFFFAOYSA-N 317.476 5.273 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@@H](CCC)CC[C@H]1C#N 1978877985 UILJOQLPIBMJQQ-SESVDKBCSA-N 310.485 5.173 30 10 DKEE O=C(C=Cc1cccc(O)c1)c1ccc(-c2cccs2)cc1 2040500001 UUEKEJFHTKARRG-UHFFFAOYSA-N 306.386 5.017 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(C)c(Br)c1 2040529561 LLXJTSASUFAKLR-BBRMVZONSA-N 310.279 5.010 30 10 DKEE Cc1ccsc1C=Nc1c(Cl)cc(Cl)cc1Cl 2059852530 HWOFWRUVSSPGCD-UHFFFAOYSA-N 304.629 5.767 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Br)c(F)c2)C1 2112242986 JDXAUWBBBWHSNM-INIZCTEOSA-N 324.237 5.241 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1cccc(SC(F)(F)F)c1 2164078221 MILIWQZXZWLWCF-SMDDNHRTSA-N 303.393 5.161 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(Cl)c2cccnc12 2164262729 HUOQHMMGIQBGTE-HNNXBMFYSA-N 309.240 5.072 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc3sccc3s2)CC1 2181638431 JFNVCGDZLOFCMN-LBPRGKRZSA-N 304.480 5.918 30 10 DKEE CCCCCC#CCNc1ccc(C(F)(F)F)cc1Cl 2203785692 QQQQKASKEUBQPK-UHFFFAOYSA-N 303.755 5.354 30 10 DKEE C=CCN(CCC)Cc1c(Br)sc2ccccc12 2217892533 NHUWQVSBORDTTF-UHFFFAOYSA-N 324.287 5.062 30 10 DKEE C=CCCCCCCC[C@@H](N)c1snc(Cl)c1Cl 2220082296 KSUHNQQUGLVDKP-SNVBAGLBSA-N 307.290 5.366 30 10 DKEE C=C1CCC(C[C@H](Cc2cc(Cl)ccc2Cl)NC)CC1 2234030541 ZECTYMNHUZBEBC-MRXNPFEDSA-N 312.284 5.260 30 10 DKEE C=CCCCCCCC[C@@H](O)c1csc(C(F)(F)F)c1 2235535141 MRSXBIRMRVZZRC-CYBMUJFWSA-N 306.393 5.717 30 10 DKEE CCC[C@H](CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2244771729 PXROZTQPBHGNQW-DOTOQJQBSA-N 316.445 5.147 30 10 DKEE C=CCC(CC=C)SC[C@H](N)c1c(Cl)cccc1Cl 2335095686 DXBKGQFYSVGKQG-AWEZNQCLSA-N 316.297 5.247 30 10 DKEE O=C(C1=CCCCCCC1)c1cc(F)c(Cl)cc1Cl 2349915657 IVAQQAAUUODCGE-UHFFFAOYSA-N 301.188 5.596 30 10 DKEE Cc1cc(C#N)cc(NCc2ccc(Cl)c(Cl)c2C)c1 2363999170 OMGTWYBQYKUUBF-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CC#CCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364403881 AMCLGNDMZZCRAM-INIZCTEOSA-N 312.284 5.536 30 10 DKEE Cc1c([C@H](O)[C@@]2(C#N)CCCC[C@@H]2C)ccc(Cl)c1Cl 2366098527 GZCYFQNFBMTAHG-CIISACIHSA-N 312.240 5.055 30 10 DKEE CCCCCCCCCCC/C=C\C/C=C\CCCC(=O)O 8860489 HSHDOYQKHGCWCC-QGLGPCELSA-N 308.506 6.665 30 10 DKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(OC(C)C)cc2)c(C)c1 83194190 LFWBOKCZMIILHT-DHZHZOJOSA-N 308.421 5.295 30 10 DKEE CCCCCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 109760260 PRFOYDUYPPISDE-KGLIPLIRSA-N 316.316 6.393 30 10 DKEE CCCCCCCCCCCC[S@@](=O)c1ccccc1N 112957466 JKWSZIJUEATCAR-NRFANRHFSA-N 309.519 5.297 30 10 DKEE CCCCCCCC[C@@H](Cc1cccc(F)c1Cl)NCC 122348290 LBGRYSUJQFNWCR-INIZCTEOSA-N 313.888 5.750 30 10 DKEE CCCCCCCC[C@H](COc1ccc(Cl)cc1)NCC 140299246 LOJXVBSBBWKZDF-QGZVFWFLSA-N 311.897 5.448 30 10 DKEE CCCCCCCCCCNc1nnc(C(F)(F)F)s1 160341872 ZQCILQGSSJAHEU-UHFFFAOYSA-N 309.401 5.110 30 10 DKEE CCCCCCC[C@H](N)Cc1nc(-c2ccccc2)cs1 229768131 IRTRQQHMYIZMSN-INIZCTEOSA-N 302.487 5.040 30 10 DKEE Cc1ccc(-n2cnc3cc(N=Cc4cccs4)ccc32)cc1 254505517 HIVJSSSXDGDOQN-UHFFFAOYSA-N 317.417 5.146 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(Cl)ccc2Cl)C1 300517949 LPPXJIZTEPJTFZ-LYRGGWFBSA-N 312.240 5.137 30 10 DKEE CN1/C(=C/C=C/C=C\C=Nc2ccccc2)C=Cc2ccccc21 367895556 IYTYXMHUSRWTEO-SRMYHXRISA-N 312.416 5.548 30 10 DKEE Cc1cccc(Br)c1C(=O)C1=CCCCCCC1 386739481 CKQJFGSDQCUTOX-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE CC1(C)CCSC(=Nc2cc(Cl)c(Cl)c(Cl)c2)N1 404318489 XMSRQUOYVAVWRS-UHFFFAOYSA-N 323.676 5.139 30 10 DKEE CC[C@H]1CCCCC[C@]1(C#N)Nc1cccc(Br)c1 691076354 MCDAXTDWYOUMQH-XJKSGUPXSA-N 321.262 5.114 30 10 DKEE CCCCCCCCC[C@H](N)C[C@@H](C)COCc1ccccc1 719137581 VDACTPCPABUBHY-CTNGQTDRSA-N 319.533 5.697 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cccc(Cl)c2Cl)CC1 724616391 KUKNOYXBQILNDM-MRXNPFEDSA-N 312.284 5.781 30 10 DKEE CSc1cc(SC(F)(F)F)c2c(CC#N)csc2c1 725318417 HZCQPEAAIIDTQT-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE Cc1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1CC#N 1242784729 VBCXZKJXLYNERB-UHFFFAOYSA-N 311.599 5.083 30 10 DKEE C=C[C@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1F)C1CCC1 1892962342 IJJGSUZBRUXFKP-XPTSAGLGSA-N 302.220 5.138 30 10 DKEE C=CCC(C)(C)Nc1ccc(C(F)(F)F)cc1Br 1913967363 KKYISOXLWDBQAI-UHFFFAOYSA-N 322.168 5.235 30 10 DKEE C=C([C@H](NCC)c1cc2cc(F)ccc2s1)[Si](C)(C)C 1922875230 PKCOEHCYMWCJJG-INIZCTEOSA-N 307.510 5.125 30 10 DKEE N#CC[C@H](c1ccccc1)N(Cc1ccccc1)C1CCCCC1 1946850820 IKIQUHJFPIOEIP-JOCHJYFZSA-N 318.464 5.476 30 10 DKEE C#CC[C@H](CNc1cc(Cl)c(Cl)c(Cl)c1)C1CC1 2076108714 YNJZSINYAHQMHM-SNVBAGLBSA-N 302.632 5.108 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2cc(Cl)c(C)cc2Cl)N1 2090412920 YKRVAXYEHGTMRA-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE CN(CCCCCCCCCS)Cc1cc(Cl)cs1 2094005476 CELJVJUPIHRANO-UHFFFAOYSA-N 319.967 5.494 30 10 DKEE C=CCC[C@H](C)[C@](C)(O)c1cc2cc(Br)ccc2o1 2102096420 NEAGNFXUSAADTC-ZBEGNZNMSA-N 323.230 5.005 30 10 DKEE C[C@@H](c1ccc(Br)cc1)C1(C=O)CCC2(CC2)CC1 2120046182 ACXQKCGCXGPFSH-ZDUSSCGKSA-N 321.258 5.092 30 10 DKEE C=C1CC(CC[C@@H](NCCC)c2ccccc2Br)C1 2125742878 STLJVMUVDXXHAO-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1cc(Cl)cc(Cl)c1 2127973006 BGTQBDBIYIKCSE-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE C=CCCCCCC[C@@]1(N)CCc2c(Br)cccc21 2141913072 DXHHVHUBENSYGI-QGZVFWFLSA-N 322.290 5.076 30 10 DKEE C=C1CCC(C[C@H](NCCC)c2ccc(SC)s2)CC1 2149703346 ROFAXUVYHZAEOP-HNNXBMFYSA-N 309.544 5.647 30 10 DKEE Fc1cc(OCCCCCCCCCS)cc(F)c1F 2156100612 LOBXZOFTOSGILJ-UHFFFAOYSA-N 306.393 5.143 30 10 DKEE N#Cc1ccc(N2CCCC[C@@H]2c2cccs2)cc1Cl 2171824390 QAFFCJRJJKSJKL-OAHLLOKOSA-N 302.830 5.005 30 10 DKEE CCCC(CS)(CCC)CN(C)CC(CC)(CC)CC 2182324794 QAOXTYXHHCURMP-UHFFFAOYSA-N 301.584 5.651 30 10 DKEE CCN[C@@H](C#C[Si](C)(C)C)c1ccc(-c2cccs2)s1 2205873367 GHKAVYIIPRKXDT-ZDUSSCGKSA-N 319.571 5.008 30 10 DKEE CCCCCCCC[C@@](C)(N)c1sc(Cl)nc1Cl 2223829991 KEEWWNKUTULGRW-CYBMUJFWSA-N 309.306 5.374 30 10 DKEE C[C@@H](NCCC#CC(C)(C)C)c1c(Cl)ccc(F)c1Cl 2238720045 OCWDRACVNSCMCK-LLVKDONJSA-N 316.247 5.223 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@H](NC)c1ccc(Cl)s1 2240657542 MMFUKZOCDYBNQD-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(Br)ccc1C 2259196386 IWRHXOCTXWCRFN-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=CCCCCCCCSc1cc(Cl)sc1CNC 2272673210 DQCCPGXCANTVHT-UHFFFAOYSA-N 317.951 5.740 30 10 DKEE CCCN[C@H](CC=CC#CC(C)(C)C)c1ccc(Cl)s1 2284085506 FJFANHGRVIKEAL-CQSZACIVSA-N 309.906 5.438 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc2cscc2s1 2294365469 ASHZAMWGAJVDRF-CQSZACIVSA-N 311.516 5.340 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2344374431 IBZIVXCKLXSAIY-HOTGVXAUSA-N 300.273 5.555 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H]1CCSc2ccc(Cl)cc21 2362239175 KZOZBWTTWUAPFW-DAXOMENPSA-N 307.890 5.211 30 10 DKEE C=C(C)C[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2367670677 GDMRUQMSWCWPQB-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 20699357 NLYKBTGKQORCRM-GPMSIDNRSA-N 306.796 5.038 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(F)ccc2F)C1 35676260 JCNYMJJWVNPISS-LALPHHSUSA-N 309.425 5.411 30 10 DKEE C[C@H]1O[C@H]1CCc1c(Cl)c(Cl)cc(Cl)c1Cl 107502815 QASFWKVMWKBXHD-ANLVUFKYSA-N 300.012 5.020 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)ccc1OCCC 109908552 ILZDBYSSFIUPMA-OAHLLOKOSA-N 311.897 6.290 30 10 DKEE CCCCCCCC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 113077661 CVLPLRYIZLIYJX-ZDUSSCGKSA-N 312.240 5.530 30 10 DKEE CCCCCCCCCCn1c(S)nc2ccc(C)cc21 123857805 RXZMMZZJAGJDAK-UHFFFAOYSA-N 304.503 5.774 30 10 DKEE CCCCCCCCCCN[C@@H]1CCCC[C@@H]1C(F)(F)F 129304925 HJQZTBVEXKSBOQ-JKSUJKDBSA-N 307.444 5.838 30 10 DKEE CCCCCCCCCCC[C@H](O)c1ccc(Cl)cc1F 133843802 NPPHQCJIFHBIPM-SFHVURJKSA-N 314.872 6.433 30 10 DKEE CCSc1cccc(Oc2cc(Cl)ccc2Cl)c1C#N 136703073 YALLNHWWTJDRRN-UHFFFAOYSA-N 324.232 5.769 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)c1scnc1C 143438315 XFLXFZQCHOBJJC-QGZVFWFLSA-N 310.551 6.023 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1SCCS[C@H]1CC 162084291 ATGIYOGAVIQHCH-IRXDYDNUSA-N 316.576 5.714 30 10 DKEE Cc1cc(N=Cc2ccc(-c3ccccc3)cc2)n(C(C)(C)C)n1 254381626 QSLJWARZOVNDIO-UHFFFAOYSA-N 317.436 5.364 30 10 DKEE Cc1ccc(-c2csc(NN=C/C=C/c3ccccc3)n2)cc1 254466974 JTGMQEDQKBUKSW-AJKPIQFMSA-N 319.433 5.230 30 10 DKEE aggregator COc1cccc(C=Nc2ccc(N=Nc3ccccc3)cc2)c1 254572361 DQNZQXQHIRYVPB-UHFFFAOYSA-N 315.376 5.861 30 10 DKEE COc1cccc(C=Nc2ccc(Oc3ccccc3)cc2)c1 257354719 ZKEZPEHRLRFUQA-UHFFFAOYSA-N 303.361 5.238 30 10 DKEE Cc1cc(Oc2cc(Cl)c(Cl)cc2Cl)cc(C#N)n1 308279247 DRONSUKKCUPQKG-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE COc1ccc(Cl)cc1C#Cc1c(Cl)cccc1Cl 587901460 DLOINUPJXJNWST-UHFFFAOYSA-N 311.595 5.055 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H](C)C1CCCCC1 698379967 SVPMESHRMUTBJJ-ZMSDIMECSA-N 322.493 5.131 30 10 DKEE CCCCCCCn1c([C@H](C)N)nc2cc(C(C)C)ccc21 1857801822 WJYATIUVPTYRKC-HNNXBMFYSA-N 301.478 5.150 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccccc1CNC(C)(C)C 1914968106 IUIXKHOTSLRTLD-UHFFFAOYSA-N 322.496 5.157 30 10 DKEE FC(F)c1cc(OC(F)(F)F)cc(Cl)c1C(F)(F)F 2054958155 BFVCOZQJXDFDOL-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CCCCC[C@H](CC)Oc1cc(Br)ccc1C#N 2086286600 UEDRZIYBAMGSCX-AWEZNQCLSA-N 310.235 5.058 30 10 DKEE C[C@H]1C[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)CCS1 2103457522 BYXGTBLFHOIMPI-NHYWBVRUSA-N 314.281 5.351 30 10 DKEE Cc1cc(Cl)cc(Cl)c1Nc1cc(Cl)ccc1C#N 2136383388 GAJXVZVPBSHEFA-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCC[C@@H](NCC)c1csc(C(F)(F)F)n1 2144134939 RCFWNZAKUGMZEO-LLVKDONJSA-N 308.413 5.173 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H](O)c1ccsc1Cl 2148594575 HBMCDKDLNFRZQR-HUUCEWRRSA-N 317.926 5.293 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCCc2ccsc21 2151712683 LLIYTWJTPONTHC-HNNXBMFYSA-N 301.480 5.516 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2cc(C)c(Cl)s2)CC1 2165373929 UXDPCCYHHSNVSB-CXOJTPOUSA-N 311.878 5.244 30 10 DKEE C=C([C@H](NC)c1ccc(C(F)(F)F)cc1Cl)[Si](C)(C)C 2179255328 VIPSPQQTGPXEMM-ZDUSSCGKSA-N 321.846 5.053 30 10 DKEE C=CC[C@@H]1CCCCN(CCc2cc(Cl)cc(Cl)c2)C1 2196070931 FXOVHZICBVSHGP-CQSZACIVSA-N 312.284 5.214 30 10 DKEE CCCCCCCCCCCCO[C@@H](C)CCC(N)=S 2239546740 AJHFJSMNHBVRGT-INIZCTEOSA-N 301.540 5.379 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)cc(F)c1Cl 2239689468 WOJNDSPSZUTCBC-HNNXBMFYSA-N 320.279 6.144 30 10 DKEE CCCCCCCCCCOc1cc(Cl)sc1CNC 2288318373 BDFAMRFGWWGBTJ-UHFFFAOYSA-N 317.926 5.640 30 10 DKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1cccs1 2293038397 YUDCWXUALNODNN-UHFFFAOYSA-N 314.793 5.558 30 10 DKEE CCc1cccc2c(C=C3Sc4ccccc4C3=O)c[nH]c12 2294623627 KJNOVCQKAPPTSY-UHFFFAOYSA-N 305.402 5.060 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1cc(C(F)F)cs1 2295601210 MBBCAJXASUOMOJ-MRXNPFEDSA-N 303.462 6.000 30 10 DKEE O=C(C=Cc1ccc2c(c1)Cc1ccccc1-2)c1cccs1 2313534811 CEVZLOAMQXRRLN-UHFFFAOYSA-N 302.398 5.215 30 10 DKEE C=CCC(CC=C)Oc1ccc(Br)cc1C(C)C 2316730260 PSFNOUMXTXCUGK-UHFFFAOYSA-N 309.247 5.472 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1ccc(C)c(Br)c1 2321109247 XMHFZGXMMOPSKA-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)cc(Cl)c1Cl 2321132998 CHNWYLYDCKPQKJ-CQSZACIVSA-N 305.632 5.822 30 10 DKEE Cc1ccc(F)c([C@@H](C#N)Nc2ccc(Cl)cc2)c1Cl 2360761629 JCWKSTWDJCZVNX-CYBMUJFWSA-N 309.171 5.118 30 10 DKEE O=CC1(Cc2cc(F)c(Cl)cc2Cl)CCC2(CC1)CC2 2377403030 KBWHOHCVZDWICS-UHFFFAOYSA-N 315.215 5.215 30 10 DKEE CCCCCCCCCC(=O)c1cc(F)c(Cl)cc1Cl 2377425915 ZLCMSFKJASKNTJ-UHFFFAOYSA-N 319.247 6.456 30 10 DKEE COc1ccc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)cc1 37155049 YNZFRVOSMZLQCH-JKIFEVAISA-N 303.471 5.142 30 10 DKEE C=CCc1cc([C@H](C)CC)cc(C=O)c1OCCCCCC 66117824 QBJXWFQABAUCRB-MRXNPFEDSA-N 302.458 5.700 30 10 DKEE N#Cc1cc2ccccc2nc1Oc1cc(Cl)ccc1Cl 71390545 QMOQWDDEMFGKNB-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccc(Cl)c(Cl)c1 109713851 JKFPFWQJMWYEKS-CQSZACIVSA-N 303.273 5.647 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(Cl)ccc1Cl 122382676 YAUGGQSDJDONHW-HNNXBMFYSA-N 303.277 5.248 30 10 DKEE CCCCc1ccc(OC[C@@H](CS)c2ccccc2)cc1 126533144 UQVOQXZRAFMGNH-SFHVURJKSA-N 300.467 5.122 30 10 DKEE CCCCCCCCCCNc1ccc(C(=O)O)c(Cl)c1 129475687 DSLUYXJEPNOARO-UHFFFAOYSA-N 311.853 5.591 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(Cl)ccc1F 131175126 OJEHCKBMHGBKCZ-MRXNPFEDSA-N 300.849 5.124 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1ccccc1Cl 131358381 IFJFSVFBZYQKRR-SFHVURJKSA-N 310.913 5.765 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1CCCCS1 157637450 VGDSRSOIQAVYJI-ZWKOTPCHSA-N 300.552 5.944 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(F)c(Cl)cc1F 168202426 LGYFJMOXJALPKV-MRXNPFEDSA-N 304.808 5.792 30 10 DKEE CCCC(CS)(CCC)COc1cc(F)cc(Cl)c1 703733101 NCXDMYZCNFYBGB-UHFFFAOYSA-N 304.858 5.374 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 712568808 GMWASQBGKATBFN-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1ccc2ccccc2c1 1874571640 YDEYCTJFHBEPBV-BUHFOSPRSA-N 316.400 5.525 30 10 DKEE C=C([C@H](NCCC)c1scc(C)c1Cl)[Si](C)(C)C 1922870918 WJUNLDQWMARXDU-ZDUSSCGKSA-N 301.959 5.184 30 10 DKEE CCC[C@H](CS)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 1931998152 IAGXSIZAUIMPAO-AEFFLSMTSA-N 307.547 5.269 30 10 DKEE C=CCCCCCCN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 1995171411 OZXHOPOUUNINCE-WOJBJXKFSA-N 315.501 5.096 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1cc(C)c(C)cc1C 2070129805 AGZAHJMXHSROSC-SFHVURJKSA-N 320.480 5.447 30 10 DKEE CCCCCC#CCNc1cc(Cl)c(Cl)c(Cl)c1 2083408966 VORJRYRDPUSUIS-UHFFFAOYSA-N 304.648 5.642 30 10 DKEE C=CCCCCCCCCCN[C@@H]1CCC=C1Br 2086282464 JCWSCPIZQSUIJZ-MRXNPFEDSA-N 314.311 5.324 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2099891322 WCJDWYQYCOJEIV-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C=CC1(CN[C@@H](C)c2cc(Cl)ccc2Cl)CCCCC1 2189518180 OASPMMJKSFBDHC-ZDUSSCGKSA-N 312.284 5.781 30 10 DKEE CCCC(CS)(CCC)CN(C)CCCCC(F)(F)F 2201594875 SQKBBEVZSASVIZ-UHFFFAOYSA-N 313.473 5.167 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203962583 QPLYATGOCSDWJJ-ABAIWWIYSA-N 312.240 5.242 30 10 DKEE CCC[C@@H](C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)C 2203972268 CACUSDWIRJMOLW-HUUCEWRRSA-N 312.240 5.242 30 10 DKEE C=CCCCCCC[C@H](NCC)[C@@H]1SCCS[C@@H]1CC 2206898761 IZOHVEUYJINCPT-BBWFWOEESA-N 315.592 5.118 30 10 DKEE C=CCCCCCCCC[C@](C)(O)C(F)(F)C(F)(F)F 2207413312 ZHPCJXCPLTUZFL-LBPRGKRZSA-N 302.327 5.242 30 10 DKEE C=CCCCCCCCN(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2211146509 QVHCLXKPNLLRMF-RTWAWAEBSA-N 315.501 5.193 30 10 DKEE CCCCCCCCCOCc1ccc(Br)s1 2216953817 GUDXDJOCLUXCCW-UHFFFAOYSA-N 319.308 5.778 30 10 DKEE C=CCN(Cc1ccccc1)c1cccc(C)c1CN[C@@H](C)CC 2217116471 KABZUBLFCUNLPA-IBGZPJMESA-N 322.496 5.076 30 10 DKEE C=CCCCCCCCNc1cc(Cl)c(Cl)c(Cl)c1 2227282810 LGQPTKUXAVZUDF-UHFFFAOYSA-N 320.691 6.585 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(Cl)cncc1Cl 2227286934 JWMFUNDOIKSJEP-AWEZNQCLSA-N 301.261 5.305 30 10 DKEE CCC#C[C@@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2233781720 JATMYXUARFMXFR-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2236298969 MAZHRGBNILVBGP-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CCCCCCCCCCCCOC[C@@H](O)C1(Cl)CC1 2239511221 SREGUTDABCATIZ-MRXNPFEDSA-N 304.902 5.056 30 10 DKEE CCCCCCCC[C@@](C)(N)c1c(F)ccc(F)c1Cl 2240626799 PBZKGFISNHCEBD-MRXNPFEDSA-N 303.824 5.543 30 10 DKEE CCCCCCCC[C@@](C)(O)c1csc(C(F)(F)F)n1 2240627834 JLLNCXQOWXUCRA-CYBMUJFWSA-N 309.397 5.120 30 10 DKEE Cc1cc(CN(C)CCCCCCCS)sc1Cl 2263207590 MZLHKXYRPZJETO-UHFFFAOYSA-N 305.940 5.022 30 10 DKEE FC(F)(F)C1(CSCCCCCCCCCS)CC1 2266511344 ZFUROMSOLQPHBZ-UHFFFAOYSA-N 314.482 5.723 30 10 DKEE CCCCCCC[C@@](C)(OCCCN)c1cc(Cl)cs1 2292764586 BASRZRSNKKBPTA-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE CCCCCCCCC[C@@](C)(O)C(=O)c1cscc1Cl 2295597636 XZZYMNKOTMOMDG-MRXNPFEDSA-N 316.894 5.476 30 10 DKEE C=CCC(CC=C)[C@H](O)c1cc(Br)cc(C(C)C)c1 2338701351 CPGCFKJQALQBFY-KRWDZBQOSA-N 323.274 5.374 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352394256 OSRTVGVTKHUBNO-IINYFYTJSA-N 304.236 5.385 30 10 DKEE C=CC[C@H](C)S[C@H]1CCCCCCC(F)(F)[C@H]1NCC 2360331556 VCQUMRLFAUMCBG-KKUMJFAQSA-N 305.478 5.020 30 10 DKEE Cc1c(COCC2(C#N)CCCCC2)ccc(Cl)c1Cl 2365030518 CFWMWNAFEMAITD-UHFFFAOYSA-N 312.240 5.293 30 10 DKEE O=C(/C=C/c1cccs1)c1ccc2oc3ccccc3c2c1 5777051 AGODEURVKRJSFC-CMDGGOBGSA-N 304.370 5.544 30 10 DKEE COc1ccc(C)cc1[C@@H](C#N)Cc1cccc2ccccc12 57739334 ZDPNUZMEWLFQJI-GOSISDBHSA-N 301.389 5.007 30 10 DKEE CCCSc1ccc(CCCNc2ccc(C#N)cc2)cc1 76311414 UYVAJXBJCYGPCY-UHFFFAOYSA-N 310.466 5.105 30 10 DKEE COc1ccccc1/C=C/C(=O)c1c(C)cc(C)c(Cl)c1C 83194237 GHYWVYNQXUPBAF-MDZDMXLPSA-N 314.812 5.170 30 10 DKEE SCCCCCCCCCOc1cc(Cl)cc(Cl)c1 97799776 KGPGZVHVABUOFE-UHFFFAOYSA-N 321.313 6.033 30 10 DKEE CCCCCCCOc1cccc(NC(=O)c2cccs2)c1 100246021 XDCCFGZBOXIXKP-UHFFFAOYSA-N 317.454 5.350 30 10 DKEE CCCCCCCCOc1ccc(C=O)cc1Br 110311326 CTEGLDYUDSIDAV-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CCCCCCCCCCNc1nc(Cl)ccc1[N+](=O)[O-] 129435929 WLPURIZUIHTXKU-UHFFFAOYSA-N 313.829 5.196 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1ccncc1Cl 143437912 BDCXKWJGLSXSAU-GOSISDBHSA-N 310.913 5.916 30 10 DKEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1ccc(C#N)cc1Cl 162973950 GSHCPCFIPMJHOQ-MZMPZRCHSA-N 305.849 5.189 30 10 DKEE CCCCCCCCCC(=O)Cc1csc2ccccc12 164558130 HYSFWWARCAWAPG-UHFFFAOYSA-N 302.483 6.154 30 10 DKEE CCCCCCCCCCCCCC[C@@H](C=NO)SC 254813561 SNVACFUTEDBSOE-KRWDZBQOSA-N 301.540 6.269 30 10 DKEE CCCCCCC[C@H](O)Cc1cc(Br)ccc1C 313596959 DYLHHOIBPUGRSI-INIZCTEOSA-N 313.279 5.021 30 10 DKEE CC[C@H](C)c1ccc(OCCCB2OC(C)(C)C(C)(C)O2)cc1 380227352 XDZYLFLTEQHLLO-HNNXBMFYSA-N 318.266 5.061 30 10 DKEE C[C@H](Nc1cccc(CC#N)c1)c1c(Cl)cccc1Cl 400866793 PYOBQJWKVGVKHF-NSHDSACASA-N 305.208 5.233 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)[C@H](C)CC)CC1 698379017 QPDCADIOTODYIQ-MDZRGWNJSA-N 322.493 5.275 30 10 DKEE CCCCCCCCC[C@H](N)c1csc(C(F)(F)F)c1 703559865 CVAHUNNJEZZHMI-ZDUSSCGKSA-N 307.425 5.907 30 10 DKEE CSc1cc2cc(C#N)cc(SC(F)(F)F)c2s1 725292188 NGISKEXPTMOWMB-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE CCCCCCCCN(C)Cc1ccc(Cl)cc1Cl 1887071924 AQLGTUJJTMNRFM-UHFFFAOYSA-N 302.289 5.786 30 10 DKEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](c1ccccc1)C1CCCCC1 1891919560 XAQVAAYPQQUBFX-HBMCJLEFSA-N 323.480 5.060 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1ccc(OCc2ccccc2)cc1 1899864010 JRWYZFUJJVGZHX-UTKZUKDTSA-N 309.453 5.128 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1ccc(Cl)cc1Cl 1920487466 UJHFQUIPMAIBEO-QGZVFWFLSA-N 316.316 6.308 30 10 DKEE C[C@@H]1CC[C@@](C#N)([C@@H](O)c2c(Cl)ccc(Cl)c2Cl)C1 1921099452 OJWZATXGMVHOTM-NFMODRRSSA-N 318.631 5.010 30 10 DKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](C)CC(C)(C)C)NCC 1922080834 RHALUBSAHFJKIK-YLJYHZDGSA-N 317.517 5.200 30 10 DKEE C=CCC[C@@H](C)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1936485289 YNLCPALKOQGIOC-HUUCEWRRSA-N 318.461 5.039 30 10 DKEE C=CCCCCC[C@H](CCCOCc1ccccc1)NCC 1958682433 NIZCVZPAIMVPBY-HXUWFJFHSA-N 303.490 5.098 30 10 DKEE C=CCC[C@H](C)C(=O)c1cccc(C)c1NC(=O)OC(C)(C)C 1975926449 WDTDRCFDFXWWFL-AWEZNQCLSA-N 317.429 5.127 30 10 DKEE CCCCCCCN(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 1981346140 GRTQISXZBFUQCM-VQTJNVASSA-N 317.517 5.273 30 10 DKEE CCCCCCCOCc1cc(Br)ccc1Cl 2001846531 FXSLXTRNMXJALX-UHFFFAOYSA-N 319.670 5.590 30 10 DKEE C[C@H]1CC([C@H](C#N)c2ccc(F)cc2Br)C[C@H](C)C1 2128746484 SEFLPVAOYIIPNO-HFAKWTLXSA-N 324.237 5.268 30 10 DKEE C=CCCCCCCCC[C@H](O)c1scc(C)c1Cl 2142452307 GFBRFOPDGIGDPL-AWEZNQCLSA-N 300.895 6.050 30 10 DKEE C[C@@](N)(CC#CC1CCCCC1)c1c(Cl)cccc1Cl 2154700172 KQEWNPCRBBKSPS-QGZVFWFLSA-N 310.268 5.141 30 10 DKEE CCCSc1ccccc1Nc1ccc(C#N)c(Cl)c1 2158459187 JLSUGFKPGDONJD-UHFFFAOYSA-N 302.830 5.457 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(C(F)(F)F)cs1 2164252181 MRIPECRGXCEHRA-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE SCC1(CN2CCC[C@@H]2c2ccsc2)CCCCCC1 2170013265 HUMPKYKWLKWNGO-MRXNPFEDSA-N 309.544 5.155 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 2181558068 BFRFDKJIXBVUCR-JTQLQIEISA-N 312.240 5.141 30 10 DKEE C=C(c1ccccc1)[C@@H](NCCC)c1scc(C)c1Cl 2197140970 YYSMUIBPVGNYKK-MRXNPFEDSA-N 305.874 5.464 30 10 DKEE C=CCSc1ccccc1N[C@@H](C1CCC1)C(F)(F)F 2197817838 NTLCKXCWKYQFGK-AWEZNQCLSA-N 301.377 5.108 30 10 DKEE CCCCC#CC[C@@H](NCC)c1ccsc1C(F)(F)F 2203823968 RNCLRJZIASGTCG-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C#C[C@@H](N[C@@H](CC)c1ccc(Cl)cc1Cl)C1CCCC1 2204043282 GHWFBZFHKUSZEV-SJORKVTESA-N 310.268 5.226 30 10 DKEE CCCC(CCC)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234052600 ADQPGJQAMYRJPS-AWEZNQCLSA-N 312.240 5.386 30 10 DKEE C=C(C)CCCC[C@]1(N)CC[C@@H](C)C[C@@H]1OCc1ccccc1 2244644334 LZIUZNQJXYQHOR-GIVPXCGWSA-N 315.501 5.226 30 10 DKEE CCCCCCCC[C@H](NCC)c1cocc1Br 2258120746 GDUAQHDLCZIXNA-HNNXBMFYSA-N 316.283 5.443 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2265967359 OEOYBOHCMCDJHQ-QGZVFWFLSA-N 324.306 5.709 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(Cl)cc1C 2266760654 YTWUZDPRYXUHIR-UHFFFAOYSA-N 302.289 6.464 30 10 DKEE CC[C@@H](C)[C@@H]1CSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277454066 JTOJUUAAPJGSRL-OQPBUACISA-N 317.285 5.040 30 10 DKEE CCCCCCCCC[C@@](C)(CSC(C)C)OCCN 2293459270 QGJQILABEHAIBZ-KRWDZBQOSA-N 303.556 5.003 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@H](N)c1csc(Cl)c1 2295682242 OGFDGBKCZDUOIM-CVEARBPZSA-N 317.926 5.293 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2319298245 WVOWXSJWHUVMEZ-CYBMUJFWSA-N 306.664 5.654 30 10 DKEE CCCCCCC[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2360489489 ONOIRVBASOPRNN-OAHLLOKOSA-N 320.279 6.144 30 10 DKEE CCCC(CS)(CCC)COC[C@H]1CC[C@@H]1C(C)(C)C 2369129581 WNFQORZZQSAXND-CVEARBPZSA-N 300.552 5.592 30 10 DKEE CC[C@@H](CS)COc1ccc(C(C)(C)CC(C)(C)C)cc1 94582537 HOKJPYIPAYSXLL-OAHLLOKOSA-N 308.531 5.735 30 10 DKEE ClC1=C(/C=N/c2ccccc2)CC/C1=C/Nc1ccccc1 107272128 DQTPZLSLOQMAOA-CEUPHZNOSA-N 308.812 5.672 30 10 DKEE in-vitro CCCCCCCCCCC[C@H](NC)c1c(Cl)cnn1C 129701843 VDOOFHIMHYJSGP-INIZCTEOSA-N 313.917 5.255 30 10 DKEE Cc1cccc(C#N)c1Nc1cccc(Cl)c1Br 221127973 BVJFHWYRPSRZOV-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccc(Oc2cc(Br)ccc2Cl)c(C#N)c1 235891903 DFIDWHGSOXSTIZ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C(CNc1cc(C)c(Br)cc1F)c1ccccc1 311870352 ZBFISLMQCFRXEB-UHFFFAOYSA-N 320.205 5.022 30 10 DKEE CC(C)C[C@H](C)[C@@H](C#N)Sc1ccccc1Br 380070073 QARCTJATGCFIRV-SMDDNHRTSA-N 312.276 5.116 30 10 DKEE CCCCCCCC(=O)c1ccc(OCc2ccccc2)cc1 381986801 OBVKGDDSCYASEU-UHFFFAOYSA-N 310.437 5.809 30 10 DKEE CCCCCCCCCCN[C@@H](C)COCc1ccccc1 390530488 LRSDOVKKKOXNAI-IBGZPJMESA-N 305.506 5.322 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(Cl)c(Cl)c2)c(F)c1 404187674 FITXMPGVCRWVOT-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=C(C)CC[C@H](NCC)c1cccc(NC(=O)OC(C)(C)C)c1 407481017 MCAIYMMMRHJDRO-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE Cc1ccc(C#N)c(Nc2cccc(Br)c2Cl)c1 690864276 JZVGEFVOLYLLCH-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cccc(C)c1Br 715774619 PRIQDZQTEQRFRH-BBRMVZONSA-N 310.279 5.010 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(C)c(C)c1 821217364 DQZNDOBIMFYLLR-CZIZESTLSA-N 301.817 5.288 30 10 DKEE C=CCN(CCCCCCCN[C@@H](C)CC)Cc1ccccc1 1900655110 NLAKYKUUVFCQAL-FQEVSTJZSA-N 316.533 5.013 30 10 DKEE CCCCCCCC[C@@](C)(C(=O)O)N(CC)Cc1ccccc1 1904147048 VGMPGDSVCCUAKY-FQEVSTJZSA-N 319.489 5.102 30 10 DKEE C=CC[C@@H](C)Nc1ccc(NC(=O)OC(C)(C)C)cc1Cl 1955211893 WAHXBLCHVRQECJ-LLVKDONJSA-N 310.825 5.064 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](CC)c1ccc(CC)cc1 2070165407 QXWOLGDFOVUFMS-JOCHJYFZSA-N 314.432 5.093 30 10 DKEE CCCCCCCCCCNCc1cc(Cl)c(Cl)s1 2098745910 GHXKPMOORAMSBX-UHFFFAOYSA-N 322.345 6.285 30 10 DKEE C=CC1(C[C@](C)(N)c2cc(Cl)cc(Cl)c2F)CCC1 2111719416 NSHRSOQCIKDIEJ-AWEZNQCLSA-N 302.220 5.053 30 10 DKEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1cccc(Cl)c1Cl 2164479679 JYFRYSAZAAAONH-HZPDHXFCSA-N 314.256 5.311 30 10 DKEE CC#CCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2196169339 BLBRFCRQNDVXEQ-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCCC[C@H](O)C[C@@H](C)P(C)(C)=O 2207391746 NPPMTNPFEXRAFA-SJORKVTESA-N 302.439 5.446 30 10 DKEE C=CCCCCCCCNc1cccc(F)c1Br 2220088381 VESADLSJFRZDDC-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE C=CCCCCCCCN[C@H](C)c1cccc(Br)c1 2227272269 NNHNFCMULBWCJS-OAHLLOKOSA-N 324.306 5.626 30 10 DKEE COCCCCCCSCCCCCCCCCS 2271890491 MDSBDVBHDMOLDN-UHFFFAOYSA-N 306.581 5.587 30 10 DKEE CCCCCCCCC(=O)C#Cc1cccc(Br)c1 2278738189 SHQMNNQIXXSAAE-UHFFFAOYSA-N 321.258 5.120 30 10 DKEE C=CCSc1ccccc1NC1CCC2(CCS2)CC1 2288556203 KCAAMGLDHZJPFN-UHFFFAOYSA-N 305.512 5.195 30 10 DKEE CC[C@](N)(CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2289899897 WHSSDPQYFBRJPB-KRWDZBQOSA-N 310.268 5.141 30 10 DKEE SCCCCCCCSc1nc(-c2ccncc2)cs1 2294768437 XGXAGPMWSGRLQG-UHFFFAOYSA-N 324.540 5.178 30 10 DKEE O=C1C(=Cc2c(F)cccc2Cl)CCCc2ccccc21 2297562993 VXDMXCAUDBILGD-UHFFFAOYSA-N 300.760 5.082 30 10 DKEE CCCCCCOc1ccc2c(c1)OC(=Cc1ccccc1)C2=O 2324261252 FHPXTQZENRNYKC-UHFFFAOYSA-N 322.404 5.262 30 10 DKEE C=C(c1ccccc1)[C@H](NC)c1c(Cl)cc(F)cc1Cl 2366416437 AGMUUCGCYVGQLP-INIZCTEOSA-N 310.199 5.106 30 10 DKEE COc1ccc2ccccc2c1/C=C1/Sc2ccccc2C1=O 194133 HSEKQHJCVWDGHS-XDHOZWIPSA-N 318.397 5.178 30 10 DKEE C#CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1ccccc1 1020606 DDZQNEVOUIYKLM-JOCHJYFZSA-N 309.412 5.289 30 10 DKEE CSc1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)cc1 14551804 PGFLWAVTLJFTGD-LNLFQRSKSA-N 318.445 5.107 30 10 DKEE CCCCCCC[C@@H](C)N[C@@H]1CCSc2ccc(F)cc21 59427188 BBUYKGCSXJHSBY-RHSMWYFYSA-N 309.494 5.701 30 10 DKEE CC[C@H](CS)COc1ccc(-c2ccccc2)cc1Cl 94582641 NTNKZZOJJZCQGT-ZDUSSCGKSA-N 306.858 5.342 30 10 DKEE SCC1(CSc2ccc(Cl)cc2)CCCCCC1 94588729 BVVZOMAJQBWOHF-UHFFFAOYSA-N 300.920 5.703 30 10 DKEE CCC1(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)CCCC1 94902637 LUQZHABAOBIVKX-LLVKDONJSA-N 310.224 5.140 30 10 DKEE CC1(C)C(=O)/C(=C\c2ccc(Cl)cc2Cl)[C@H]2C[C@H]1C2(C)C 100097986 OUQWAKQRJZOSSG-BTKKQJHQSA-N 323.263 5.648 30 10 DKEE CCCCCCCOc1ccc(NC(=O)OC(C)(C)C)cc1 100155483 BMCKHKVOHRDQFQ-UHFFFAOYSA-N 307.434 5.383 30 10 DKEE CCCCCCCCC[C@H](Cc1cccc(F)c1Cl)NC 122272641 FMCGBIGBFHOPQC-MRXNPFEDSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCCCC[C@H](NN)[C@H]1CCCS1 130091845 JVDMGQAFPKXWMR-DLBZAZTESA-N 300.556 5.025 30 10 DKEE CCCCCCC[C@@H](N)c1cc2cccc(Br)c2o1 139677709 KBPMHKSXLVJVPN-CQSZACIVSA-N 324.262 5.556 30 10 DKEE CCCCCCCOc1ccccc1-c1nc2ccccc2[nH]1 169966141 RHJOLSSIXXTIMC-UHFFFAOYSA-N 308.425 5.579 30 10 DKEE Cc1cccc(Br)c1Nc1ccc(C#N)c(Cl)c1 690326670 BLAORYZSCZTMRR-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(F)ccc(F)c1Cl 707874717 AXLVAWSGWGAUEO-CQSZACIVSA-N 303.824 5.759 30 10 DKEE CCCCCCCOC[C@@H](NC)c1ccc(Cl)c(Cl)c1 709571750 YSUKEXJWTSFMHH-MRXNPFEDSA-N 318.288 5.241 30 10 DKEE C[C@H](CCC#N)n1ccc2cc(OCc3ccccc3)ccc21 720872042 YIAZFDCTBJSBET-MRXNPFEDSA-N 304.393 5.085 30 10 DKEE CC(C)(C#N)CCCCNc1ccc(Cl)c(Cl)c1F 1893125117 BKWFQHBJLAPDQG-UHFFFAOYSA-N 303.208 5.264 30 10 DKEE CC(=CB1OC(C)(C)C(C)(C)O1)c1ccc(Cl)cc1Cl 1927748582 ZIBNHOFYPWUYHK-UHFFFAOYSA-N 313.033 5.028 30 10 DKEE CC(C)(C)OC(=O)N(C1CC1)C1(C#N)CCCCCCCCC1 1938722810 QSVNEQNCEBFANE-UHFFFAOYSA-N 320.477 5.173 30 10 DKEE CC(C)(C)OC(=O)Nc1cc2ccccc2cc1CCCS 1951399147 WEGNOOLXWGASMI-UHFFFAOYSA-N 317.454 5.049 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(C)sc1Br 1996471618 VGTGFGRCYAWBSU-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE CC(C)c1ccc(-n2nc(C3CCC3)c(C#N)c2C(F)F)cc1 2079138748 LLCRMNWHDUNHAR-UHFFFAOYSA-N 315.367 5.072 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2cc(Cl)c(F)c(Cl)c2)N1 2090411145 FXOQZIAMHHDLBI-ZDUSSCGKSA-N 321.248 5.015 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1cc(Cl)sc1C 2154428259 JXYALZIFHJZAQG-INIZCTEOSA-N 316.894 5.453 30 10 DKEE C=CCCCCCCCCCC(=O)[C@H]1SCCS[C@@H]1C 2207409238 MBLOVOXMTGKFET-WBVHZDCISA-N 314.560 5.490 30 10 DKEE CCCCCCC[C@H](N)c1sc(C)c(C)c1Br 2215909402 NZIZZNDRODFIID-LBPRGKRZSA-N 318.324 5.488 30 10 DKEE CCCCCCCCCOc1nccc(C)c1Br 2223244473 ZNJJGWDYVDPLQW-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE CCCCCCCCOC(=O)c1c(F)ccc(Cl)c1F 2234945481 FOEFPKXJRGYINW-UHFFFAOYSA-N 304.764 5.136 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)cc(F)c1Cl 2239478466 JDCAIYCTOHYALS-HNNXBMFYSA-N 321.263 6.307 30 10 DKEE Cc1ccc(OCCCCCCCS)cc1Br 2252609659 GTWTZWQTEVUCRD-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE CCCCCCCCCNc1cc(C)c(Cl)cc1Cl 2277457321 ASKJARCAYRZJFG-UHFFFAOYSA-N 302.289 6.464 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(C(F)(F)F)s1 2295258382 JFEMXYZRDBETPN-LBPRGKRZSA-N 305.409 5.554 30 10 DKEE CCCCCCCCC[C@@](C)(O)C(=O)c1ccsc1Cl 2295597408 VESRSYQNKABHBC-MRXNPFEDSA-N 316.894 5.476 30 10 DKEE CCOc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2323047486 CHYNNYZSZFDZEU-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE CCC(=NOCc1ccccc1)c1ccc(-c2ccccc2)cc1 2330258918 ZHYLICZOIDSWRF-UHFFFAOYSA-N 315.416 5.685 30 10 DKEE C=C1CCC(CC(=O)c2cc(F)c(Cl)cc2Cl)CC1 2349862390 ZMBNSECHYHRVCY-UHFFFAOYSA-N 301.188 5.452 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(F)c(Cl)c(Cl)c1 2352532116 YGXDWOAVJNVMTQ-OAHLLOKOSA-N 307.236 5.701 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2362235043 KCSKSWVUKKGQMM-SKDRFNHKSA-N 315.200 5.058 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 2362236384 PJXQQOUFGYJQGM-RNCFNFMXSA-N 315.200 5.058 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ccc(Cl)cc1Cl 2370484134 XYMCYHSVYHRECM-IAGOWNOFSA-N 314.300 6.027 30 10 DKEE Cc1cc(C)cc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)c1 37346263 IYRILMHQFUXACM-OAHLLOKOSA-N 318.203 5.100 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 37937311 RYAYLWMULAHZTH-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C)c1 83192872 CNHOJEUBWNQTBQ-XBXARRHUSA-N 321.203 5.207 30 10 DKEE Fc1ccc(OCC2(CS)CCCCCC2)c(Cl)c1 94582198 RLFSKMWJGCJNGP-UHFFFAOYSA-N 302.842 5.128 30 10 DKEE N#Cc1ccc(/C=C(\C(=O)c2cccs2)c2cccs2)cc1 97040477 PMFLCGQZODOSJO-PTNGSMBKSA-N 321.426 5.105 30 10 DKEE CCC#C[C@@H](C)[C@@H](C)c1cc(C(C)(C)C)ccc1OCCC 107602264 GDZULVNDYVSIOH-IAGOWNOFSA-N 300.486 5.926 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)c1ccc(C#N)c(Cl)c1 110258498 GWNQHLWVYQUMNF-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(Cl)ccc1Cl 122382914 YAUGGQSDJDONHW-OAHLLOKOSA-N 303.277 5.248 30 10 DKEE CCCCCCC[C@@H](N)c1cc(C)c(Br)s1 126754596 RREUHAQXZCWYBH-LLVKDONJSA-N 304.297 5.179 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc2cc(Cl)ccc2o1 129210433 MKFLCNOGJFWCOM-MRXNPFEDSA-N 307.865 6.097 30 10 DKEE CCCCCCCCCCn1c(C(C)C)nc(Cl)cc1=O 165076451 ILRJUUNOMOOXAA-UHFFFAOYSA-N 312.885 5.161 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cc(F)c(Cl)cc1Cl 704040213 OOEBMYDLCDXLFA-LLVKDONJSA-N 318.263 5.776 30 10 DKEE C=CCCC(C)(C)CN[C@@H]1CCSc2ccc(Cl)cc21 704040245 PPLGOKAISXMTAQ-OAHLLOKOSA-N 309.906 5.459 30 10 DKEE CCc1ccc(/C(=N/OCc2ccc(Cl)cc2)C2CC2)cc1 821227253 STYIZCDHPXYJGJ-VZCXRCSSSA-N 313.828 5.233 30 10 DKEE C=CCCCCCC(=O)c1csc(C)c1Br 1902844209 SBTPLHAQRYGLLG-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=CCC[C@H](O)c1ccc(-c2cccc(Br)c2)s1 1919670701 ZCJZIJGRNNSYOP-ZDUSSCGKSA-N 323.255 5.177 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Br)ccc1F 1919910171 MCLSWLSTFYIFQI-OAHLLOKOSA-N 317.242 5.156 30 10 DKEE C=C(C(=O)c1cscc1OCc1ccccc1)C(C)(C)C 1934836055 MOKBPPUPBBPKCQ-UHFFFAOYSA-N 300.423 5.112 30 10 DKEE CCCCCCCC[C@@]1(O)CCCC[C@H]1OCc1ccccc1 1977471542 LAUWVPQXCLPTOO-NHCUHLMSSA-N 318.501 5.628 30 10 DKEE CCC(=CC(=O)c1ccc(Cl)cc1Br)CC 1992269250 BJISAMCWRVLIJQ-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)C[C@H](O)CC 1995327396 HQJIUGVSYSBQEZ-OAQYLSRUSA-N 317.517 5.176 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(F)ccc1Br 2035580252 QRENILGVOLWXFE-HNNXBMFYSA-N 316.258 5.123 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2ccc(Br)cc2)CC1 2061194698 IQWPVJCDIKJJEO-LBPRGKRZSA-N 307.231 5.014 30 10 DKEE CC=C(CC)C(=O)c1ccc(Br)cc1C(F)(F)F 2077138261 JOBMGPCFJJSZCD-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE CCC(CC)(CS)COCc1cc(Cl)cc(Cl)c1 2077255849 QZELPECKKZTDLM-UHFFFAOYSA-N 307.286 5.246 30 10 DKEE CCCCCC#CC[C@@H](NC)c1scc(Cl)c1Cl 2083436755 LUFAIILEOWLPOA-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE C=C(C)CCCN[C@@H](C)c1cc2cc(Br)ccc2o1 2088207350 RDUIETFMMGEBIG-LBPRGKRZSA-N 322.246 5.202 30 10 DKEE CC(C)C1CCC(C=O)(Cc2snc(Cl)c2Cl)CC1 2110935854 YSMZGIRWQDSTBA-UHFFFAOYSA-N 320.285 5.024 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H](O)c1cc(Cl)cs1 2148592221 RSFLIECVTIJAHC-HOCLYGCPSA-N 317.926 5.293 30 10 DKEE N#C[C@H](c1ccc(Cl)cc1Cl)[C@H]1CCC2(CCCC2)C1 2155222905 KWPOEAJXCYIJJI-WFASDCNBSA-N 308.252 5.961 30 10 DKEE CCCCCCCCCC[C@@H](N)c1csc(C(F)F)c1 2164492417 LESKTSMOAWOITH-CQSZACIVSA-N 303.462 6.216 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2ccc(Cl)cc2Cl)C1 2168547340 GTDGPZYFQUIHNS-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1cccc(Cl)c1 2184457756 IENFBPOYEUERON-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1sc(C(=O)C=Cc2ccccc2)c(C)c1Br 2219002921 MAMTWKSURXCESA-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE C=CCCCCCCCNc1cc(C)cc(Br)c1 2220091479 HAQKIHRZMXCIJO-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cccc(C)c1Br 2227275584 NBCVMXDEVFSQPZ-MRXNPFEDSA-N 324.306 5.674 30 10 DKEE CCCCCCCC[C@@](C)(O)C(=O)c1ccsc1Cl 2231945890 KQSPZZPNMVHTPI-OAHLLOKOSA-N 302.867 5.086 30 10 DKEE CCCCCCCCCCCCOCc1nnc(Cl)s1 2239488900 DIKXGJWLAAOBQU-UHFFFAOYSA-N 318.914 5.629 30 10 DKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)C1=CCCCC1 2243558084 OSLOADDOPCGDFD-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE CC(C)(C)C#CC=CCCc1cc(Br)ccc1F 2256695714 DANFIGKFVWRJQB-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE C=C(C)CC[C@@H](C)NCc1cc(Br)cc(C(C)C)c1 2266002605 XYOXTCKKVZBMEL-CQSZACIVSA-N 324.306 5.407 30 10 DKEE CC1(C)CCC[C@@](C)(Nc2c(Br)cccc2C#N)C1 2269701155 GJHHNMVOGCWWSY-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc2cccc(Br)c2o1 2271782043 USTWCBDWOSZEMT-CQSZACIVSA-N 323.230 5.365 30 10 DKEE Cc1cc(N=C2N[C@](C)(C(C)C)CS2)c(Cl)cc1Cl 2277494644 BLSYWTROJIAGHH-AWEZNQCLSA-N 317.285 5.040 30 10 DKEE C=C([C@H](NCCC)c1ccc(C(F)(F)F)s1)C(C)(C)C 2295258373 JCAPMZXXQUAMBE-ZDUSSCGKSA-N 305.409 5.410 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2cccc(CC)c2)cc1 2296875981 PSBBXMILWWZFIZ-UHFFFAOYSA-N 323.436 5.236 30 10 DKEE C=CCC(CC=C)SCc1cc(Cl)cc(Cl)c1N 2313528359 BXRAJRHEAWHLDK-UHFFFAOYSA-N 302.270 5.330 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2319298246 WVOWXSJWHUVMEZ-ZDUSSCGKSA-N 306.664 5.654 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1cc(Cl)ccc1Cl)NC 2344397303 RNIGZQWRCUWKCQ-HZPDHXFCSA-N 300.273 5.116 30 10 DKEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1CN[C@@H](C)CC 2360731622 MPDVJNXGYIGRNB-UONOGXRCSA-N 311.922 5.593 30 10 DKEE C=CCC(CC=C)[C@H](Cc1cccc(Cl)c1Cl)NCC 2364080397 LCFVUARRPYYFAW-INIZCTEOSA-N 312.284 5.282 30 10 DKEE CCCCCCCCCCCC(=O)N(C)Cc1ccccc1 59087413 QFGNRYXRPYVGNN-UHFFFAOYSA-N 303.490 5.566 30 10 DKEE N#Cc1ccc(NCc2cc(Cl)ccc2Cl)cc1Cl 87758651 YLSYVUILIHOFCL-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=CCn1c(-c2ccccc2)c(C)s/c1=N/c1ccccc1C 102923135 GMXLKKZLIATVLK-QZQOTICOSA-N 320.461 5.252 30 10 DKEE CCCCCCCn1cc(CNC(C)C)c2cc(C)ccc21 107020990 QDESOQUATXCZDG-UHFFFAOYSA-N 300.490 5.418 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(C)c(Cl)cc1C 115857362 CSKVYSHHEPMFBN-LJQANCHMSA-N 309.925 6.358 30 10 DKEE CCCCCCC[C@H](C)Nc1c(Cl)cc(F)cc1Cl 123119781 MTUZUIYJGGOGEK-NSHDSACASA-N 306.252 6.293 30 10 DKEE CCCCCCC[C@H](NCC)c1ncc(Cl)cc1Cl 159714380 ZGDHNHUGBWQVDR-AWEZNQCLSA-N 303.277 5.400 30 10 DKEE C=CCCC[C@H](NC)c1ccc2cc(Br)ccc2c1 167753753 BJGFDAYMINXEGX-KRWDZBQOSA-N 318.258 5.219 30 10 DKEE Cc1ccc(Cl)c(Oc2cc(Br)cc(C#N)c2)c1 227634978 ZMQPBNDZHSIPDG-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE Cc1cc(Cl)ccc1Nc1ccc(C#N)c(Br)c1 228176869 SWTLRDVEQROAOI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1ccc(Br)cc1 233164236 IRGKFEHXSUGYLK-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE CC[C@H](C)C[C@](C#N)(CC)N(C(=O)OC(C)(C)C)[C@H](C)CC 698481939 BMSFHIZUGXRGJZ-DAYGRLMNSA-N 310.482 5.131 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cccc(Br)c1C 715772211 IQBJAYZUWAEOCB-LRDDRELGSA-N 310.279 5.010 30 10 DKEE N#Cc1c(-c2ccc(C(F)(F)F)cc2)cccc1C(F)(F)F 1848368114 NQLDNVJEGZCQFM-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C=CCC[C@H](C)N[C@@H](C)c1ccc(Br)cc1Cl 2002056914 KFSBLXMVIMSKIN-QWRGUYRKSA-N 316.670 5.108 30 10 DKEE C=CCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2045654583 IQYMWJSEWMZPQL-GFCCVEGCSA-N 306.664 5.783 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccc(C(C)C)cc1 2070132118 SVHXIPLKEXQXBT-KRWDZBQOSA-N 320.480 5.645 30 10 DKEE CC(C)(C)c1nn([C@H](C(C)(C)C)C2(C)CC2)c(Cl)c1C#N 2079848809 NLADAUWSGIEBLB-CQSZACIVSA-N 307.869 5.093 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(Br)cc1 2085845713 ZHPKEKLDNPKFIA-UHFFFAOYSA-N 309.247 5.549 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2cccc(C)c2Br)C1 2087878765 BNTQTBAVSJLSFI-YOEHRIQHSA-N 323.274 5.086 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Cl)cc1Cl 2102112976 WMOMJOGOKQSPHV-LRDDRELGSA-N 300.273 5.636 30 10 DKEE CCCC1CCC(C=O)(Cc2snc(Cl)c2Cl)CC1 2110935716 XMXPPZLLIXNWEG-UHFFFAOYSA-N 320.285 5.168 30 10 DKEE C=CCCCCCC[C@](N)(CC)c1ccc(Br)cc1 2141914105 OJQVDJYRSYTELS-QGZVFWFLSA-N 324.306 5.540 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccccc1Br 2142439351 AEIPKGWPLUIEAE-KRWDZBQOSA-N 324.306 5.756 30 10 DKEE O=C(CC#CC1CCCCC1)Cc1c(Cl)cccc1Cl 2149857841 MLWAJAKXDXCYDX-UHFFFAOYSA-N 309.236 5.079 30 10 DKEE C=CC1(C[C@H](CSc2cccc(Cl)c2)NCC)CCC1 2168022693 HKNIGURWXMKIFK-OAHLLOKOSA-N 309.906 5.157 30 10 DKEE C#CCCCCCN[C@H](c1cccs1)c1ccc(Cl)s1 2206335404 WYBGISLXQIMAMM-MRXNPFEDSA-N 323.914 5.336 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](N)c1cc(Cl)ccc1Cl 2207451579 WAKSAOSESKJJGE-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE C=CCCCCCCCNc1ccccc1OCc1ccccc1 2214620673 ZEZUIHYIQPJSJR-UHFFFAOYSA-N 323.480 6.204 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccc(Cl)cc1Cl 2227271939 LVLWSHSZOYFCJH-MRXNPFEDSA-N 301.257 5.944 30 10 DKEE CCN[C@H](C#Cc1cccc(Cl)c1)c1cc(Cl)sc1C 2239487082 MOUJGIMISZPOGN-OAHLLOKOSA-N 324.276 5.066 30 10 DKEE C=C[C@@H](CC)OC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2239489096 FUZHZOHVQASLPI-JKSUJKDBSA-N 316.272 5.015 30 10 DKEE C=C(C)CCCCN(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2244628160 ZMYYAJJLWLMFLW-VQTJNVASSA-N 315.501 5.049 30 10 DKEE CC(C)C(C)(CNc1cccc(Br)c1C#N)C(C)C 2268554272 LBANTSYHLLWSHN-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE C=CCCCSC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2271489322 IDMUNXVFNSJBKF-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE C=C(C)CCCC[C@H](Cc1ccccc1Br)NCC 2271782358 XDKJGWFDQBVPNW-MRXNPFEDSA-N 324.306 5.106 30 10 DKEE Cc1cc(NCc2c(Cl)cccc2Cl)cc(C)c1C#N 2280580720 REKJTLFVBLAYSD-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CCCCCCCCC[C@H](N)c1cnc(C(C)(F)F)s1 2289257901 NVENHNSWBPUCTJ-LBPRGKRZSA-N 304.450 5.395 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1cccc(Cl)c1Cl 2289712296 LYHWHWXLUWUKGS-MRXNPFEDSA-N 310.268 5.228 30 10 DKEE CCCCCCCCC[C@@H](O)c1cnsc1Br 2300341994 OGKICOKDSPAUOW-GFCCVEGCSA-N 320.296 5.080 30 10 DKEE C=C(CNc1ccc(C)c(C)c1Br)c1ccccc1 2336627586 XKQNXWDJRQFERW-UHFFFAOYSA-N 316.242 5.191 30 10 DKEE C=CCC(CC=C)C(=O)c1cc(Br)cc(C(C)C)c1 2338666652 NGXWMCDISFGVTF-UHFFFAOYSA-N 321.258 5.524 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(F)c(Cl)c(Cl)c1 2352388460 NDFGNDPRQLHNNU-LSDHHAIUSA-N 304.236 5.385 30 10 DKEE C[C@@H](/N=C/c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 109936990 IRDCFPHSHHGXIY-LKFGXTIWSA-N 301.861 5.364 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc2c(s1)CCSC2 157905295 BLAZHFCQUZZZQK-OAHLLOKOSA-N 311.560 5.678 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1sccc1CC 162510045 RNBHGSNMKXJFIL-GOSISDBHSA-N 309.563 6.621 30 10 DKEE CCCCCCCCCCC(=O)c1cc2c(s1)CCSC2 165089462 LBNYOMFQWYSHPI-UHFFFAOYSA-N 324.555 6.251 30 10 DKEE CCCCCCCCCCC[C@H](N)c1cc(C)c(Cl)s1 226662551 GEUWZJSNZHVFIT-HNNXBMFYSA-N 315.954 6.631 30 10 DKEE CCCCCCCCC[S@](=O)Cc1ccc(Cl)cc1F 526912956 RYXNMSXYLITEQG-FQEVSTJZSA-N 318.885 5.478 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@H](C#N)CCC(C)C)cc1 698872253 XJNPFGLYIWRDHS-KRWDZBQOSA-N 316.445 5.065 30 10 DKEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 710717470 PVJTXEBAWMFDHF-MRXNPFEDSA-N 320.408 5.040 30 10 DKEE CCCC[C@@](C)(C=O)Cc1cccc(Cl)c1Br 2000505380 QIIHSTHPBOJPDJ-CQSZACIVSA-N 317.654 5.040 30 10 DKEE C=CCCCCCC[C@H](O)c1sc(C)cc1Br 2026062272 JBYWLOQYLGLDGF-ZDUSSCGKSA-N 317.292 5.379 30 10 DKEE C#CCCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045716496 QYQUKIUZZKPJGC-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE CCCCCCC[C@@H](O)c1c(F)cc(C)cc1Br 2053211827 IHFDNWBNFFXHIF-CQSZACIVSA-N 317.242 5.291 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1ccccc1C 2070124639 DOYWVNNKPCNJSB-NRFANRHFSA-N 306.453 5.220 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccsc1C(F)(F)F 2157629225 UAQAHRWIVBWBPC-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1cc(Cl)ns1 2167199084 XENKDFAGKGJIPB-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE CCCCCCCCCCC(=O)[C@H](O)c1cscc1F 2181874930 UDWQHTPVZBXXAC-MRXNPFEDSA-N 300.439 5.021 30 10 DKEE C=CCCCCCC[C@H](NC)c1c(F)ccc(Cl)c1F 2206886733 UIZOGUFSJJDCOD-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE C=CCCCCCC[C@H](NCC)c1csc(C(F)F)n1 2206901570 CVHLLMZAMCGVMK-LBPRGKRZSA-N 302.434 5.258 30 10 DKEE C=CCC[C@@H](NCCC)c1sc(C)c(Br)c1C 2213726561 ZJCJUJMLPNHFQC-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCCCCCCOCc1nnsc1Cl 2231014512 FJSDKOOEEXZWRV-UHFFFAOYSA-N 304.887 5.239 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Cl)c(F)cc1F 2235523378 FGMPIRUWQCXYIV-INIZCTEOSA-N 302.792 5.568 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Cl)c(C)cc1F 2240613451 UUMMZFUSLNYKCI-QGZVFWFLSA-N 300.845 5.746 30 10 DKEE CCCCCCCC[C@@](C)(N)c1csc(C(F)(F)F)c1 2240618854 YAYVIUAXCXZKPB-CQSZACIVSA-N 307.425 5.691 30 10 DKEE CC(C)(C)C#CC=CCc1ccc(Br)cc1Cl 2248467520 IXFNDRAYIOYKDM-UHFFFAOYSA-N 311.650 5.251 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(F)c(Cl)c1F 2287372656 NYUSBVPKLAUDMP-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE C=C([C@H](OCCCN)c1ccc(Cl)cc1Cl)C(C)(C)C 2294252304 RKIIVLULQUWGCA-HNNXBMFYSA-N 316.272 5.002 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)C[C@@H](CC)CCCC 2295795194 MNIRYNUTHIQOLY-FXAWDEMLSA-N 303.556 6.000 30 10 DKEE CC=CC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 2297630805 MIWBJRNEOOPVPD-UHFFFAOYSA-N 313.400 5.915 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(C)c(Br)c(C)c1 2321179165 GKYIHONXTLGNJG-INIZCTEOSA-N 309.247 5.241 30 10 DKEE CCC(=NOCc1cccc2ccccc12)c1ccc(C)cc1C 2330259137 NUKKRQRCTMVECX-UHFFFAOYSA-N 317.432 5.788 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](CC)c1ccc(Br)cc1 2337093977 KOABMWLGFRKUOL-XOKHGSTOSA-N 322.290 5.235 30 10 DKEE C=C1C[C@H]1[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2341885804 QSJLHGWSQMNFTI-IAGOWNOFSA-N 322.290 5.189 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)c(Cl)c(Cl)c1 2344339830 MKSKKGNCUHXZPH-LSDHHAIUSA-N 320.691 5.900 30 10 DKEE CCCCCCC[C@](C)(S[C@@H]1CCC[C@@H](C)C1)C(=O)O 2353864434 YARNHUUFQVZFNS-INMHGKMJSA-N 300.508 5.502 30 10 DKEE Cc1c(C[C@]2(C=O)CCCCC23CC3)ccc(Cl)c1Cl 2364265303 IVJWDCGBIVQCLI-KRWDZBQOSA-N 311.252 5.384 30 10 DKEE C#Cc1ccccc1N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2365450974 OWFGIYVRFAEOBX-JTQLQIEISA-N 324.638 5.801 30 10 DKEE N#C[C@@H](C(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1 48855696 XICIDDCFVBOLJT-CQSZACIVSA-N 311.793 5.045 30 10 DKEE C=CCc1cc([C@H](C)CC)cc(C=O)c1OCCc1ccccc1 66117846 BRSQDDXNABNXRN-QGZVFWFLSA-N 322.448 5.363 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2c(Cl)cccc2Cl)CC1 91880813 HABUNIHKJVBJGF-AJQRCPHMSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCCCC(c1ccccc1)c1ccccc1 100302804 MPUACKZXJBPMHK-UHFFFAOYSA-N 322.536 7.739 30 10 DKEE CCCCCCC[C@H](C)Nc1ccccc1-c1cccs1 109885919 KRZHRWYMVNVNAZ-INIZCTEOSA-N 301.499 6.576 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(Cl)cc1Cl 115062905 LBKGXQXXYOEPGG-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CCSc1cccc(Sc2ccccc2Cl)c1C#N 136988970 YWMNGCJDXBNLJZ-UHFFFAOYSA-N 305.855 5.475 30 10 DKEE CCCCCCC[C@H](N)c1cc2cccc(Br)c2o1 139677591 KBPMHKSXLVJVPN-AWEZNQCLSA-N 324.262 5.556 30 10 DKEE C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cc1Cl 162901377 YPTWVHQUEQJJQU-GFCCVEGCSA-N 319.235 5.058 30 10 DKEE CC(C)(C)c1ccc([C@H](C#N)Nc2ccc(Cl)cc2)s1 166122902 PGLRQWAQGNSTSR-ZDUSSCGKSA-N 304.846 5.376 30 10 DKEE CCCCCCCC[C@H](NCC)c1occc1Br 166531924 NJQHMBMKOJECPO-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE CSc1cccc(N[C@H](C)c2ccc(Cl)cc2)c1C#N 167582939 CAYVLSVZYVMWJU-LLVKDONJSA-N 302.830 5.107 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(F)cc1Br 168349602 KHNOWYXXEMWPQK-OAHLLOKOSA-N 317.242 5.372 30 10 DKEE C=CCC(C)(C)CO[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 381156569 USYBGISSJABKSW-NSHDSACASA-N 315.240 5.184 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(OCc2ccccc2)cc1 383779877 JFXIHYYWCMOAND-NQIIRXRSSA-N 320.436 5.150 30 10 DKEE CCCCCCCCC[S@@](=O)Cc1cccc(Cl)c1 526854597 YECYFMAYTIHZMN-LJQANCHMSA-N 300.895 5.339 30 10 DKEE CCCCCCC[C@@](C)(C(=O)O)N(Cc1ccccc1)C(C)C 685991042 LBCRXYNWVFUJJF-FQEVSTJZSA-N 319.489 5.101 30 10 DKEE C#CCCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 686896247 WBMRTKITXRGWSZ-UHFFFAOYSA-N 318.414 5.356 30 10 DKEE C[C@H](Nc1cccc(C#N)c1)c1cc(Cl)cc(Cl)c1F 692315657 BOLANXWGTKRBMV-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC[C@H](C)C[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)[C@H](C)CC 698481940 BMSFHIZUGXRGJZ-HDMKZQKVSA-N 310.482 5.131 30 10 DKEE CCCCCCCCC[C@H](N)c1sncc1Br 712239384 NDMAEORLLQXNPW-LBPRGKRZSA-N 319.312 5.046 30 10 DKEE CCCCCCCC(=O)c1c(C)ccc(Br)c1F 721201064 QWUPNHJDJVXQND-UHFFFAOYSA-N 315.226 5.440 30 10 DKEE Sc1nc2ccc(N=Cc3cccc4ccccc34)cc2s1 1084374519 WWLLUAFQNGAGCK-UHFFFAOYSA-N 320.442 5.489 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1cc(Cl)c(Cl)s1 1888689334 PJEFJXSODZIRNZ-AWEZNQCLSA-N 312.265 5.419 30 10 DKEE C=CCCCCCCCCC[C@@H](O)CCOCc1ccccc1 1995326163 UNMRXEYFRCLWAB-OAQYLSRUSA-N 318.501 5.651 30 10 DKEE C=C(C)[C@@H](NCCC)c1cc(Cl)c(C)c(Br)c1 2002242538 OYJPBCJSAYNQOB-CQSZACIVSA-N 316.670 5.028 30 10 DKEE O=C[C@]1(Cc2cc(Cl)sc2Cl)CCCC12CCC2 2074820464 RDOMIABBTQLBES-CQSZACIVSA-N 303.254 5.137 30 10 DKEE CCCC#CC[C@H](NCCC)c1scc(Cl)c1Cl 2083409828 FFGLMMYZFLBMHB-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2snc(Cl)c2Cl)CC1 2110889973 WEWPSMMGJRVTEC-LLVKDONJSA-N 319.301 5.237 30 10 DKEE CCCCCCCCCCNc1c(N)ccc(Cl)c1Cl 2159700269 BFHVRFOBAZTPJC-UHFFFAOYSA-N 317.304 6.128 30 10 DKEE C#Cc1ccc(N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc1 2177231872 JQFURGPDNZSNAD-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE CC(C)c1ccc(Sc2cc(Cl)c(C#N)cc2F)cc1 2177380049 BNNGYKCMVOKKOD-UHFFFAOYSA-N 305.805 5.625 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)c(F)cc1F 2179366988 KAHMCIJWXVJGSG-MRXNPFEDSA-N 303.824 5.759 30 10 DKEE C#CC[C@@H](C[C@@H](NCCC)c1scc(C)c1Cl)C1CC1 2196860478 ZSGZMENWGCGQCA-LSDHHAIUSA-N 309.906 5.190 30 10 DKEE C=CCCCCCCC[S@@](=N)(=O)C1CCC(F)(F)CC1 2235767990 BAFHOCRNXIRSLG-HXUWFJFHSA-N 307.450 5.138 30 10 DKEE C=C(C)CCCC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2259231416 JNYOVZWMGQHDRW-LBPRGKRZSA-N 307.648 5.817 30 10 DKEE C=CCCCCCCCS[C@H](C)CC(C)(C)C(=N)NO 2287096237 IVLZAWKBCMZIRC-CQSZACIVSA-N 300.512 5.007 30 10 DKEE Cc1cc(NCc2ccc(C#N)cc2C)c(Cl)cc1Cl 2294757917 NPQMTFZIXQIHIE-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE Cc1cc(OC=CC(=O)c2ccc(Cl)cc2)cc(C)c1Cl 2297535540 BOSPZSAOCIMJRH-UHFFFAOYSA-N 321.203 5.386 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)ccc1CNC(C)C 2360366680 FIETZMTUNDGKJZ-UHFFFAOYSA-N 309.906 5.451 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1c(Cl)ccc(F)c1Cl 2362220227 HFBKEROKAWLKHY-COPLHBTASA-N 316.247 5.528 30 10 DKEE CCCCCCCN(C)C(=O)c1c(Cl)cc(F)cc1Cl 2366347848 MDYWPUXAKHEDRP-UHFFFAOYSA-N 320.235 5.175 30 10 DKEE CC1(C)CC(CS)(CSc2ccc3ccccc3c2)C1 2371132409 ANGALXKXWSQOBZ-UHFFFAOYSA-N 302.508 5.668 30 10 DKEE C(=N/c1ccc(-c2nc3ccccc3[nH]2)cc1)\c1cccs1 13005079 AQFKJNNGIKHJDZ-XDHOZWIPSA-N 303.390 5.042 30 10 DKEE O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CCc2ccccc21 33662555 SNTMETDIRCPREC-LCYFTJDESA-N 303.188 5.206 30 10 DKEE CCC[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 36954151 NGSOACRGZNPRBR-MRXNPFEDSA-N 319.235 5.818 30 10 DKEE CCCCCCCCCCN(C#N)CCCCCCCCCC 60217041 KJKPVJPQUOMUOS-UHFFFAOYSA-N 322.581 7.051 30 10 DKEE N#Cc1cc(-c2ccc(Cl)c(Cl)c2)oc1C(F)(F)F 77086078 SXXFIWGVCGQWBN-UHFFFAOYSA-N 306.070 5.144 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccccc2)c2ccccc12 83204502 YGDDLTDUQMXSDR-WYMLVPIESA-N 302.373 5.135 30 10 DKEE C=CCCC[C@@H](NCC)c1cc2cccc(Br)c2o1 97220083 FBHJWGILXWIKDE-CQSZACIVSA-N 322.246 5.202 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccccc1Cl 112887004 MTNORFPPRPFXTB-LJQANCHMSA-N 310.909 6.684 30 10 DKEE CCCCCCCCCCCCS[C@@H](C)CC(=O)OC 116781440 MNRGGIAFYBFUKT-INIZCTEOSA-N 302.524 5.592 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(F)c(Cl)cc1F 122235965 IEIXILPIZKJNMA-MRXNPFEDSA-N 318.839 5.263 30 10 DKEE CCCCCCCC(=O)c1ccc(F)c(Br)c1 123698558 DSARQVBRGRFEOM-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(C)cc1Br 164150730 RDNDWWNMRJJONK-INIZCTEOSA-N 313.279 5.542 30 10 DKEE Cc1cc(C)c([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@@H]32)c(C)c1 226668353 GXXJBJRRCBHLIQ-LQBOVUBWSA-N 314.432 5.310 30 10 DKEE C[C@@H](c1ccc(Br)cc1)C1(C#N)CCCCCCC1 388670238 PXMDILQKZIGYIS-AWEZNQCLSA-N 320.274 5.807 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Br)oc1C 396486995 BRIVWLHMZOIBHF-AWEZNQCLSA-N 316.283 5.491 30 10 DKEE N#C[C@@H](CSc1ccc(Cl)cc1Cl)C1CCCC1 397226892 RZNYZRAXLQNABV-NSHDSACASA-N 300.254 5.415 30 10 DKEE N#Cc1ccc(CSc2cc(Cl)cc(Cl)c2)cc1F 404715604 CNNDTXIZDOBRHL-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(NC(=O)OC(C)(C)C)cc1 406859751 RQEUXCSQCWESIK-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1c(Cl)cc(Cl)cc1Cl 695809555 BGOSSRYINFKGAK-MRVPVSSYSA-N 305.636 5.387 30 10 DKEE N#Cc1cc2c(C(F)F)csc2cc1SC(F)(F)F 725291418 OQAFSBYMBDWZRR-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(Cl)ccc1Cl 1920489959 OLQKXRYQLVUHRC-MRXNPFEDSA-N 302.289 5.918 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccccc1CCC 1922069575 RSDXMHMCCXLXJN-QFIPXVFZSA-N 323.480 5.063 30 10 DKEE C=CCCCCCc1cc(Cl)c(C)c(Br)c1 1984520823 BKJFGXFLRIVLHI-UHFFFAOYSA-N 301.655 5.700 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)C[C@@H](C)O 1995325765 OPKCFFXTDNRFLY-HXUWFJFHSA-N 317.517 5.176 30 10 DKEE C=CCCCCCCC(=O)c1cc(Br)ccc1C 2085849728 NVYNVJUZACAGPD-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)cc1C 2085851566 IKTZBHBMDUUBDO-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE C=CCCCCCC[C@H](N)c1c(C)cccc1Br 2085856872 RVZKTHOYUWGKKU-HNNXBMFYSA-N 310.279 5.284 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)ccc1Cl)C(C)(C)C 2096620357 GBVDBSARBSRCMT-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc(Cl)cs1 2102389523 DCSUDLIBGBMSSV-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE CC[C@@H](C)[C@H]1CSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 2136524104 CVGAUPZGWLSCGU-AMIZOPFISA-N 317.285 5.040 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2c(Cl)cncc2Cl)CC1 2157115241 UKNVGKFRZBEJOA-MRXNPFEDSA-N 311.256 5.431 30 10 DKEE C#CC[C@@H](CN[C@@H](CC)c1ccc(Cl)cc1Cl)C1CC1 2196812855 VOKLFYXJSRHMMA-GUYCJALGSA-N 310.268 5.084 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2227359578 JLAZIKPOSMOUDQ-WBMJQRKESA-N 324.306 5.319 30 10 DKEE O=C(C=C1CCC1)c1c(Cl)cc(Br)cc1Cl 2243526437 SCRWFODXBJXZSN-UHFFFAOYSA-N 320.013 5.049 30 10 DKEE C=C(C)CCCCNc1cccc(Br)c1Cl 2244638288 VGQNTIUOMJCBDN-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(OCc2ccccc2)cc1 2244650756 NAFOLZMJQLHLIO-NRFANRHFSA-N 310.437 5.436 30 10 DKEE C=CCC(C)(C)NCc1cc(Br)cc(C(C)C)c1 2254753050 VMKKFBJQTVSMKI-UHFFFAOYSA-N 310.279 5.017 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2289712977 PHLQAWUKTSBPDR-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE Cc1cc(Cl)ccc1NC=CC(=O)c1ccc(C(C)C)cc1 2296875869 IVILONZMDMRLNC-UHFFFAOYSA-N 313.828 5.580 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1ccc(OCc2ccccc2)cc1 2304061364 DZNHMZVRNMZCSM-OAQYLSRUSA-N 323.480 5.519 30 10 DKEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2319254973 HWTZOJUBCVFQAW-LKFCYVNXSA-N 304.648 5.264 30 10 DKEE C=C(Cl)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341122061 PYXNXXKGRVIRDO-HNNXBMFYSA-N 320.691 5.437 30 10 DKEE Cc1ccc(N[C@@H](C#N)c2ccc(Cl)c(Cl)c2C)cc1 2366020628 VHXMAMXUQQRKQJ-HNNXBMFYSA-N 305.208 5.287 30 10 DKEE O=C(C=Cc1ccccc1)CCc1cc(Cl)cc(Cl)c1 2366879882 AOJXJIOCLXUKPU-UHFFFAOYSA-N 305.204 5.209 30 10 DKEE C=CC1(CNCc2cc(F)c(Cl)cc2Cl)CCCCC1 2377288997 YOIRUNOKHKKJPG-UHFFFAOYSA-N 316.247 5.359 30 10 DKEE N#C[C@H](C(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 50039221 APAOPWDCZLQFBN-NSHDSACASA-N 324.594 5.137 30 10 DKEE C=CCOc1ccc2ccccc2c1CN[C@H](C)c1ccccc1 66115624 PFFTVGPCYBDXDL-QGZVFWFLSA-N 317.432 5.255 30 10 DKEE N#Cc1cc2ccccc2nc1Nc1ccc(Cl)cc1Cl 71389696 MXDGJZUGNIYUOQ-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE COc1cccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)c1 83193345 UTZBPQMQCLJNGZ-MDZDMXLPSA-N 324.420 5.032 30 10 DKEE CCC(CC)(CS)CSc1cc(Cl)ccc1Cl 94588777 UZGFNLDPGSCIIS-UHFFFAOYSA-N 309.327 5.822 30 10 DKEE COc1ccccc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 96887861 WFSRFMACDNQSML-ACCUITESSA-N 308.421 5.197 30 10 DKEE CCCCCCCCn1c(-c2ccc(C)cc2)nc2ccccc21 101263223 ASCZIFLGEJFGNZ-UHFFFAOYSA-N 320.480 6.372 30 10 DKEE CCCCCCCCCCSc1nc2ccc(N)cc2o1 109966866 PALCKLFULSOKIO-UHFFFAOYSA-N 306.475 5.643 30 10 DKEE CCSc1cccc(Nc2ccc(Cl)cc2C)c1C#N 136616762 QHPSTJDMUOHFPP-UHFFFAOYSA-N 302.830 5.376 30 10 DKEE CCCCCCCCN[C@H](C)c1cc(Cl)ccc1Cl 160786598 UWSKGSSWHWXFEO-CYBMUJFWSA-N 302.289 6.005 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(OCCCC)cc1 211695642 LLXFGJVHNCDLGP-UHFFFAOYSA-N 305.462 5.555 30 10 DKEE Cc1ccc(C)c(Sc2ccc(C#N)c(Br)c2)c1 228253273 SRFMUDSBYGGOOI-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CC(C)C(C)(C)CSc1cc(Br)cc(C#N)c1 718788072 JAUINPSGQSRJJT-UHFFFAOYSA-N 312.276 5.095 30 10 DKEE CCCCCCCC[C@@H](N)C[C@H](C)COCc1ccccc1 719195103 PZROICRBQVEGDQ-AZUAARDMSA-N 305.506 5.307 30 10 DKEE CCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccc(C)cc1 1614593298 XPESBZVNNUFTDN-ONNQFXDFSA-N 309.458 5.263 30 10 DKEE CCCCCCCCCCOC(C)(C)CNCc1ccccc1 1914972534 PDBQAOBKTAXZJY-UHFFFAOYSA-N 319.533 5.712 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 1920203159 ZQENAPBGTHNSAD-OAHLLOKOSA-N 306.252 5.667 30 10 DKEE C=CCCCCCCCCCOC[C@H](C)NCc1ccccc1 1995326321 XAWUKFQPJGPGHD-FQEVSTJZSA-N 317.517 5.488 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cscc1Br 1996471869 WYYGACIYHYIFSY-RISCZKNCSA-N 316.308 5.154 30 10 DKEE SCCCCCCCCCN1CCC(Cl)=C(Cl)C1 2036074540 NWNDHROPLRVSOG-UHFFFAOYSA-N 310.334 5.042 30 10 DKEE CC(C)CCOc1ccc(C=C2CCc3ccccc3C2=O)cc1 2040455015 LZACCZSESHVZAC-UHFFFAOYSA-N 320.432 5.324 30 10 DKEE C=CCC[C@H](C)Oc1ccc2ccccc2c1Br 2040518891 LCFVPQOTKBGHME-LBPRGKRZSA-N 305.215 5.336 30 10 DKEE CCC[C@@](C)(C#N)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2045998333 RODYRTVAZVVXHI-OLZOCXBDSA-N 306.620 5.010 30 10 DKEE O=C(C=CC=Cc1ccccc1)c1ccc2c3c(cccc13)CC2 2053622283 SOZUVCTYJPAVKY-UHFFFAOYSA-N 310.396 5.391 30 10 DKEE C=CCCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2141916818 OXIQZICLWWBREF-ZDUSSCGKSA-N 321.675 6.207 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](NCC)c1csc(Cl)c1 2207443845 DUDAQSSKJFLGAG-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c(C=O)s1 2231022011 LHUGIRRXMDTJGD-UHFFFAOYSA-N 303.855 5.129 30 10 DKEE CCCCCCCC[C@@H](C)N[C@H](C)c1ccc(Cl)s1 2231938846 CKDAJJREFSWOAN-ZIAGYGMSSA-N 301.927 6.191 30 10 DKEE C=CCCCCCCn1c(S)nc2cc(Cl)c(C)cc21 2236878827 FZWAVICUGHDBJP-UHFFFAOYSA-N 308.878 5.423 30 10 DKEE C=CC[C@H](C)[C@@H](O)c1c(Cl)cc(Br)cc1Cl 2243538767 OIGMCNJXXVPYBA-JVXZTZIISA-N 324.045 5.002 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc2sc(C)cc2s1 2287421975 NDDLXBWTZFNKMK-AWEZNQCLSA-N 307.528 6.058 30 10 DKEE C[C@@H]1CC(OCCCCCCCCCS)C[C@@H](C)S1 2339995688 VCPWFITUJPTERS-HUUCEWRRSA-N 304.565 5.336 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cccc(Cl)c1Cl 2344341764 DZELPRWKASZDSQ-HZPDHXFCSA-N 300.273 5.636 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2344380961 MEHIRBMPEMOEOR-XHDPSFHLSA-N 300.273 5.035 30 10 DKEE C=CCCCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1C 2364548369 OSCABPZYFAFUHF-OAHLLOKOSA-N 315.288 5.333 30 10 DKEE CC#CCCC[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377316053 QLGMUUDTEBOUJL-INIZCTEOSA-N 316.247 5.367 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2sccc2C)cc1C 83193717 AGXRJTDBVIDGBR-VOTSOKGWSA-N 314.450 5.358 30 10 DKEE COc1c(Cl)cc(C(=O)/C=C/c2ccc(C)cc2)cc1Cl 83194331 UPPUMXXFMAEVPQ-BQYQJAHWSA-N 321.203 5.207 30 10 DKEE CCCCCCCCNc1cccc(OCc2ccccc2)c1 100037166 SMRKMZIBBSYDHI-UHFFFAOYSA-N 311.469 6.038 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(OCCC)cc1 100048428 FMZCLYIUFJAPAQ-FQEVSTJZSA-N 305.506 5.877 30 10 DKEE CCCCCCCCCC[C@@H](O)CC[C@@H](O)Cc1ccccc1 100293303 WYVJMQCITBRSFF-NHCUHLMSSA-N 320.517 5.262 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(SC(F)(F)F)cc1 109875173 IGNPXRQIEGCYJC-ZDUSSCGKSA-N 319.436 6.459 30 10 DKEE CCCCCCCCCCC(=O)CSc1ccc(F)cc1 116705117 AQCXJRBYGBOVHN-UHFFFAOYSA-N 310.478 6.018 30 10 DKEE CCCCCCCCNCc1ccc(Br)c(C)c1 160778033 JGMPJVYRXHQYPZ-UHFFFAOYSA-N 312.295 5.208 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ccc(Cl)cc1Cl 162291347 WEJGEMFNXQNSGK-QGZVFWFLSA-N 316.316 6.524 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(F)c(C(F)(F)F)c1 163784029 RAIZAMVEQJYTDU-OAHLLOKOSA-N 306.343 5.629 30 10 DKEE Cc1ccc(Nc2ccc(C#N)cc2Br)cc1Cl 213381710 LGYURFYHDDZDIV-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE N#Cc1ccc(CSCc2ccccc2Cl)c(Cl)c1 236041074 UGIWXCRUYUTPLK-UHFFFAOYSA-N 308.233 5.298 30 10 DKEE CC(C)c1ccccc1N=Cc1cc(Cl)cc(Cl)c1O 254492150 CVOXGAHYJDBPPX-UHFFFAOYSA-N 308.208 5.573 30 10 DKEE C[C@H](Nc1cccc(CC#N)c1)c1cc(Cl)sc1Cl 313426330 KZYCBWJKTBYTIK-VIFPVBQESA-N 311.237 5.294 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccsc2Br)CC1 389060621 HEXBPFANOMKZEV-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE CC(C)CCCCC[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 394819992 PCKUYBRQJPVKPO-IBGZPJMESA-N 322.493 5.134 30 10 DKEE Clc1cc(Cl)cc(N=C2NC3(CCCC3)CCS2)c1 687318973 SVKKEVPFWVCPAY-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE C=CCCC(C)(C)CNCc1cccc(OCc2ccccc2)c1 704045409 DHBAPGNYEDTARG-UHFFFAOYSA-N 323.480 5.348 30 10 DKEE C=C(Cl)C[C@H](CCCCCCCCCCC)NCCC 710695744 HXXDRNWLLBNNOU-SFHVURJKSA-N 301.946 6.418 30 10 DKEE C=CC[C@H](C)Nc1c(Cl)cc(Br)cc1Cl 715036892 AMUBEDZGCBGPQE-ZETCQYMHSA-N 309.034 5.132 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(OCc2ccccc2)c1 715718360 GJYSXKNMBUELPK-GCJKJVERSA-N 323.480 5.519 30 10 DKEE CCCCCCCCC(=O)C[C@@H](C)COCc1ccccc1 719624588 MGRXDOYBAIIRMF-GOSISDBHSA-N 304.474 5.549 30 10 DKEE CCCCCCCCC(=O)NCC[C@@H](C)c1ccc(OC)cc1 1866090258 UPQOMAFVOAXICS-QGZVFWFLSA-N 319.489 5.056 30 10 DKEE C=CCN(CC=C)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C(C)C 1867936196 SAPLHURLRSSNEQ-HXUWFJFHSA-N 313.485 5.140 30 10 DKEE CC#CCCCC[C@H](NCCC)c1ccccc1Br 1879648821 ZDNXIVAKVMMHNB-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)c1ccccc1Cl 1917852948 RTUWWKNRHLBOPQ-LJQANCHMSA-N 301.883 5.496 30 10 DKEE C=C([C@H](NCCC)c1ccc2sccc2c1)[Si](C)(C)C 1923003486 BZHSWXOVENZMOR-KRWDZBQOSA-N 303.547 5.376 30 10 DKEE CC=C(CC)C(=O)[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1991998533 KXIJANRXFSUNJP-CYBMUJFWSA-N 317.429 5.063 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)CC(C)C 1995319091 JHVWROOGMCLQMC-UHFFFAOYSA-N 315.545 6.451 30 10 DKEE C=C1CC(C[C@@H](NC)c2c(Cl)ccc(Cl)c2Cl)C1 2061738497 COAJENNWWMGAQG-GFCCVEGCSA-N 304.648 5.264 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(C)c(Br)c1C 2108002273 CQESQLBQFKOOLT-INIZCTEOSA-N 324.306 5.463 30 10 DKEE C[C@@H]1C[C@](C#N)(C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCS1 2159721855 WKUDCCSZXVZHOU-SYQHCUMBSA-N 305.409 5.171 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)ccc1OC(F)F 2164038454 FIATZEMKNVITNK-CYBMUJFWSA-N 305.796 5.302 30 10 DKEE CCCC[C@](C#N)(CC)[C@](C)(O)c1ccc(Cl)c(Cl)c1 2164481110 BAAKWXURNCAJFL-CVEARBPZSA-N 314.256 5.311 30 10 DKEE C#CCCCC[C@@H](NCCC)c1cc(C(F)(F)F)cs1 2173497232 KKPFMXKMSCUVBA-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1cc2sccc2s1)C1CC1 2196855402 CQWBHHXFKCIGOE-UONOGXRCSA-N 303.496 5.053 30 10 DKEE CCCCCCCC[C@H](NN)c1c(C)ccc(Cl)c1F 2201791740 AJHTUPMKVBSUBD-AWEZNQCLSA-N 300.849 5.043 30 10 DKEE C=CCCCCCCCCC[C@@H](O)C[C@@H](C)P(C)(C)=O 2207391744 NPPMTNPFEXRAFA-IAGOWNOFSA-N 302.439 5.446 30 10 DKEE C=C(C)CN(CCC1CC(OC(C)(C)C)C1)Cc1ccccc1 2210219686 DSYUAJXQWDLESD-UHFFFAOYSA-N 315.501 5.049 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccccc1Br 2223847653 HCENZZVYCGPSGW-AWEZNQCLSA-N 312.295 6.000 30 10 DKEE N#Cc1cccc(F)c1Nc1cccc(OCc2ccccc2)c1 2247131920 LHUXVSOIPKMMMY-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CCCCCCCN(C)Cc1cc(Cl)c(O)c(Cl)c1 2278785470 GUAWMBPJWUDACZ-UHFFFAOYSA-N 304.261 5.101 30 10 DKEE C=CCCCCCCCS[C@H](c1ccc(C)s1)[C@@H](C)N 2287097762 ZKBLKDIPIRVJJS-WBVHZDCISA-N 311.560 5.705 30 10 DKEE Cc1ccc(C=C2C[C@H](c3ccccc3)c3ccccc3C2=O)cc1 2296887409 NIRIKABXXZPISN-HSZRJFAPSA-N 324.423 5.797 30 10 DKEE C(=Cc1ccccc1)C(C=Cc1ccccc1)=NNc1ccccc1 2313532962 ADLATSFXARVWCP-UHFFFAOYSA-N 324.427 5.881 30 10 DKEE N#Cc1cccc(Br)c1OCC1CCCCCCC1 2342900939 GMAIRSBMGXILLY-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1cccc(Cl)c1Cl)NCC 2344345055 LDRZREDBAWJZBO-CQSZACIVSA-N 300.273 5.116 30 10 DKEE CC(C)C[C@H](CS)CSc1cccc(C(F)(F)F)c1 2353839214 FVLPCSABBORRQK-LLVKDONJSA-N 308.434 5.390 30 10 DKEE CC1(C)CC(=O)C=C(CCCc2cc(Cl)cc(Cl)c2)C1 2366911569 YVKWAFIJBIYJSD-UHFFFAOYSA-N 311.252 5.632 30 10 DKEE CC1(C)CC(CS)(CSc2ccc3ccccc3n2)C1 2371132212 YDPZSALQIHLVIH-UHFFFAOYSA-N 303.496 5.063 30 10 DKEE CCCC[C@@](C#Cc1ccccc1)(Cc1ccccc1)OCC 5310199 CXBSQYOOXMYLLB-JOCHJYFZSA-N 306.449 5.246 30 10 DKEE Cc1ccc(C)c([C@@H](C#N)Cc2ccc(Cl)cc2Cl)c1 57737095 SNYDQHONYXSJGQ-CQSZACIVSA-N 304.220 5.460 30 10 DKEE CCCCC1CCC(c2nc3ccccc3n2C[C@@H](C)C#N)CC1 57800776 WRQPMVWTEPXZCF-AOCRQIFASA-N 323.484 5.660 30 10 DKEE Cc1cc(OC(C)C)cc(C)c1C(=O)/C=C/c1cccs1 83193633 ZRXQYMQKXIBNBL-BQYQJAHWSA-N 300.423 5.048 30 10 DKEE CC(C)(C#N)CCCNc1c(Cl)cc(Cl)cc1Cl 87597258 KRFIXALAUWCWRL-UHFFFAOYSA-N 305.636 5.389 30 10 DKEE SC[C@H](COc1cccc(Cl)c1Cl)c1ccccc1 94584102 SZGCKYNOAGHTRV-LBPRGKRZSA-N 313.249 5.086 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cccc(Br)c1 114871858 YYCWZRIBXWDJER-MRXNPFEDSA-N 313.279 5.407 30 10 DKEE C[C@@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)s1 135063956 RHHTVJVQHDWQPN-PXAZEXFGSA-N 316.445 5.197 30 10 DKEE CCCCCCCCCCCCC(=O)c1ccc(CC)s1 165107803 JFDSRTYBDGGHIU-UHFFFAOYSA-N 308.531 6.804 30 10 DKEE CCc1csc(SCCCCCCCCCS)n1 394849137 JWGLFNSJEHOIMW-UHFFFAOYSA-N 303.562 5.458 30 10 DKEE C[C@H](Nc1ccc(F)cc1C#N)c1c(Cl)cccc1Cl 400887230 IBQMJTVZAQTUOA-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC(C)c1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1 606208322 WNNAYVSONXCJDE-YHYXMXQVSA-N 319.231 6.013 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(F)c(Cl)c1F 689665288 DGJHMMMMZAFUTL-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CC(C)(C)CC[C@H]1C 713094977 SJVAKVCKJSYFEL-ZRGWGRIASA-N 322.493 5.131 30 10 DKEE Cc1ccc(Cl)c(N=C2NC3(CCCCCC3)CS2)c1 713237165 MFHYCXUQJNNNDL-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE Cc1cc(OCCC(C)C)cc2c1C(=O)/C(=C/c1ccccc1)O2 1871411844 ZWZQXYODDJOXQD-UNOMPAQXSA-N 322.404 5.036 30 10 DKEE C=CCn1c([C@@H](C)Oc2ccccc2C(C)C)nc2ccccc21 1873513780 PFHIPPDPZXQUSH-MRXNPFEDSA-N 320.436 5.486 30 10 DKEE Cc1cccc(C(=O)C2=CCCCC2)c1NC(=O)OC(C)(C)C 1925611905 OOIFFWRUQKEWQM-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE C=C([C@@H](NCC)c1cc(Br)ccc1C)C(C)(C)C 2035436238 XFMQGDULNCGQKF-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1c(C)cccc1C 2070125923 ZBFPQACBBISJCG-KRWDZBQOSA-N 306.453 5.138 30 10 DKEE Cc1c(Br)cccc1CC1(C=O)CCC(C)(C)CC1 2087379697 DJNCPXSODOOMCC-UHFFFAOYSA-N 323.274 5.086 30 10 DKEE C=C1CCC(CC[C@@H](NC)c2cccc(Br)c2)CC1 2113417638 KFNYXTAIYPTFCY-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE C=CCCCC[C@H](Cc1c(Cl)cccc1Cl)NCC 2123081044 SAXXLCVNSDPWHO-CYBMUJFWSA-N 300.273 5.260 30 10 DKEE CC1(C)CCC(C=O)(Cc2cc(C(F)(F)F)cs2)CC1 2161225944 PVGAEFRLXMXYFL-UHFFFAOYSA-N 304.377 5.095 30 10 DKEE C=C([C@@H](NCCC)c1ccc(C(C)(C)C)s1)C(F)(F)F 2164203176 HVSUXUNEAUXJQS-CYBMUJFWSA-N 305.409 5.205 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(F)c(Cl)c1F 2164213517 AAKDYTAGDBFPPN-BZNIZROVSA-N 301.808 5.261 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1csc(-c2cccs2)n1 2164460671 KPDDCJSMIBCCIW-INIZCTEOSA-N 307.484 5.200 30 10 DKEE C#CCCN(Cc1sc2ccccc2c1Cl)CC(C)C 2176164114 KHXDXVYZYDENRR-UHFFFAOYSA-N 305.874 5.036 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Cl)cc(C(F)(F)F)c1 2200837836 RHPYPHDPFMVPHA-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Cl)cc(F)c1F 2235542231 QILIQVSXNZOEHX-OAHLLOKOSA-N 302.792 5.568 30 10 DKEE CC(C)C(C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl)C(C)C 2235757715 NGVPARFSNJGWCK-LBPRGKRZSA-N 312.240 5.098 30 10 DKEE C[C@H](Nc1cccc(F)c1C#N)c1cc(Cl)cc(Cl)c1 2237999375 XCDOEBPBRYYCJP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1scc(C)c1Br 2250161695 PQVOFUMKCCAFKW-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE Cc1cc(Cl)cc(Oc2c(Br)cccc2C#N)c1 2257497132 WEIPJSJQPMEPRS-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C#CCCCCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2265960723 WMRBDDFUNFRVNA-QGZVFWFLSA-N 322.290 5.156 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281535184 BNTIILGEZINAHV-BZNIZROVSA-N 316.272 5.255 30 10 DKEE C=CCCCCCCCOc1c(Cl)cc(CO)cc1Cl 2296300320 GRNHNZNIMJIHKL-UHFFFAOYSA-N 317.256 5.391 30 10 DKEE CC(C)C[C@@H](CS)COCc1ccc(Cl)cc1Cl 2328525924 OVTXECLIGLZRBC-LLVKDONJSA-N 307.286 5.102 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](CC)c1cccc(Br)c1 2337093277 CMIOZMLOAYCGNF-XOKHGSTOSA-N 322.290 5.235 30 10 DKEE C=C(C)CC[C@H](C)NCCCc1cc(Cl)cc(Cl)c1 2341137877 ZJCBABLMVNDXHN-ZDUSSCGKSA-N 300.273 5.260 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345153580 MKYVXBXCPQRJCJ-LLVKDONJSA-N 307.837 5.736 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(OC)c(Cl)s1 2365801250 PFHQCICZAMVUKP-CYBMUJFWSA-N 317.926 5.811 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1cc(F)c(Cl)cc1Cl)NC 2377410720 APPIMBPEBOJGKP-HOTGVXAUSA-N 318.263 5.255 30 10 DKEE CCCCCCCCCCc1ccc2c(ccc3ccccc32)c1 94781599 SHLQLJFNMNWCEF-UHFFFAOYSA-N 318.504 7.676 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(OC)c(OC)cc1Cl 115859914 GGGBWQLVESVDDN-OAHLLOKOSA-N 314.853 5.141 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 158162267 GCKQZBNTFPKGNI-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCC[C@@H](N)c1cccc(Br)c1C 159074794 NUUWLXPIYWPEPD-MRXNPFEDSA-N 312.295 5.508 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ncc(Cl)s1 223160635 PTJSDJGHLZAGQQ-AWEZNQCLSA-N 317.926 6.141 30 10 DKEE CCCCCCCCCC[C@H](O)c1c(Cl)cccc1OC 228777222 AZWVAQDTKUCNOD-INIZCTEOSA-N 312.881 5.913 30 10 DKEE CCCCCCCCC[C@@H](O)c1scnc1Br 232952627 ATYCKHUFHTXNSU-LLVKDONJSA-N 320.296 5.080 30 10 DKEE N#C[C@H](CN(Cc1ccccc1)Cc1ccccc1)C1CCCC1 306665763 YMQKBPJSZCIKEZ-JOCHJYFZSA-N 318.464 5.019 30 10 DKEE CCCCCCC[C@@H](N)c1ccccc1OCc1ccccc1 309998143 CLKAYHOLLXHQRO-HXUWFJFHSA-N 311.469 5.626 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1cc(Cl)sc1Cl 387503682 CYVJVHCXNBBQOP-CYBMUJFWSA-N 322.301 5.077 30 10 DKEE CCCCCCCCCNC[C@@H](C)COCc1ccccc1 390215022 WWOCAHRSECZLGG-LJQANCHMSA-N 305.506 5.180 30 10 DKEE CCCCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CC1 698876464 JNCMNXQVOSTFEG-KRWDZBQOSA-N 322.493 5.419 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cscc1Cl 710395278 KUWYAQVNFUDCKT-MRXNPFEDSA-N 301.927 6.193 30 10 DKEE CCc1cc(CC#N)c2scc(SC(F)(F)F)c2c1 725303326 FEPKCOLJCBVBFL-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE Clc1ccccc1N=Cc1cccc(OCc2ccccc2)c1 1084536793 BOEMAMKPSQZUDQ-UHFFFAOYSA-N 321.807 5.670 30 10 DKEE C=CCCN(CCSC1CCCCC1)Cc1ccccc1 1886643023 SKFUTRHMOOWYGT-UHFFFAOYSA-N 303.515 5.131 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cccc(Cl)c1Cl 1892439050 JPMTVWNHTUFIAJ-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)Cc1ccc(Cl)cc1 1917927556 PTHDYUCJANWPAK-HXUWFJFHSA-N 315.910 5.637 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)[C@H](C)C(C)C 1931998238 INWDBGZZWIWSBS-QGZVFWFLSA-N 307.547 5.269 30 10 DKEE CCCCCCC[C@@H](N)c1cccc(Cl)c1Br 1948979422 NFJTWSDIHPUVLS-CYBMUJFWSA-N 318.686 5.463 30 10 DKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C=C2CCCC2)c1 1983506521 COFPLVJWZHAAAW-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE CC#CCCCCC(=O)c1ccc(OCc2ccccc2)cc1 1990989408 WHQDJGNUEFBGQH-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE C#CCCCCC[C@@H](NCC)c1scc(Cl)c1Cl 2035093006 COLNHGSXZKFSIG-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)sc2Cl)CCCC12CCC2 2074834907 IZERERGSKDPKCQ-AWEZNQCLSA-N 300.254 5.462 30 10 DKEE CC1(CCNc2ccc(C#N)cc2Br)CCCCC1 2094205354 RNKABIJCGWIIIF-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CCC1(n2c(S)nc3ccc(Cl)c(Cl)c32)CCC1 2103440639 AQDNMBVBMAMIFT-UHFFFAOYSA-N 313.253 5.087 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(Cl)cc1Cl 2123090159 YRNRMUIGVXRROK-INIZCTEOSA-N 300.273 5.781 30 10 DKEE N#C[C@@]1(Cc2cscc2C(F)(F)F)CCCC(F)(F)C1 2184840759 HQEXFRSDCIVTND-LLVKDONJSA-N 309.303 5.029 30 10 DKEE C=CCC(C)(C)OC[C@H](NCC)c1cc(Cl)ccc1Cl 2187280532 KMRRIOMUCOJWIV-HNNXBMFYSA-N 316.272 5.015 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1scc(C)c1Cl 2207401769 FCOHSKFHRIQHOZ-HNNXBMFYSA-N 313.938 6.407 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1cc(Cl)sc1C 2207416568 XSXBZLSZOBNXAK-MRXNPFEDSA-N 314.922 6.440 30 10 DKEE C=CCCCCCCCC[C@H](O)c1ccc(Cl)cc1Cl 2207430010 PJWDLETVOFJBLK-KRWDZBQOSA-N 315.284 6.334 30 10 DKEE SCCCCCCSc1nc(-c2ccccc2)cs1 2225897839 PWBGFRRIWUYRBE-UHFFFAOYSA-N 309.525 5.392 30 10 DKEE CCCCCCCCN[C@H](C)c1cc(Cl)cc(Cl)c1 2229667869 MQIBGXRBWKUWBN-CYBMUJFWSA-N 302.289 6.005 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccc(Cl)nc1Cl 2231935086 OKOVJMQSDZLMMT-GFCCVEGCSA-N 303.277 5.939 30 10 DKEE C=CC[C@@H](C)C(=O)c1c(Cl)cc(Br)cc1Cl 2243526598 VZPBSIFODSCCIM-SSDOTTSWSA-N 322.029 5.151 30 10 DKEE C=C(C)CCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 2271779962 YVWCCQGUUABVOY-OAHLLOKOSA-N 305.220 5.477 30 10 DKEE CCCCCC#CCC(=O)c1cc(Cl)c(OC)cc1Cl 2281578920 IODBYXSYSLRNHL-UHFFFAOYSA-N 313.224 5.159 30 10 DKEE CCCCCCCC[C@@H](O)c1nc(C(F)(F)F)c(C)s1 2295397938 HXHATTHWWWAHQR-LLVKDONJSA-N 309.397 5.254 30 10 DKEE C=C(C)CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341111456 VGLZSAPPVROJMT-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CCC(CC=C)[C@H](N)c1ccc(C(F)(F)F)c(Cl)c1 2363995775 FIIGRCPKFKMMEB-AWEZNQCLSA-N 303.755 5.127 30 10 DKEE CCSc1cccc(N(C)c2ccccc2Cl)c1C#N 2364687543 CUYLBOHRFNNKMX-UHFFFAOYSA-N 302.830 5.092 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1cccc(Cl)c1Cl 2370539397 GCQCJFAADISSEB-SJORKVTESA-N 314.300 6.027 30 10 DKEE N#C[C@H](C(=O)CCC1CCCC1)c1ccc(Cl)c(Cl)c1 50039092 JPMGAKVVWQJTCO-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE Cc1ccc(C)c(C[C@@H](C#N)c2c(Cl)cccc2Cl)c1 57759862 ZPSBZTNTXDURKL-AWEZNQCLSA-N 304.220 5.460 30 10 DKEE CCCCCCCCCCn1c(C)nc2cc(C)c(C)cc21 101304685 PYIDKAKOXKZGLF-UHFFFAOYSA-N 300.490 6.102 30 10 DKEE CCCCCCCCC[C@H](CNC)Cc1cccc(Cl)c1 110917445 UJTUVNMDOKJFDZ-SFHVURJKSA-N 309.925 5.859 30 10 DKEE C[C@@H](CC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C(C)(C)C 111650358 JEFWMPUKLIOLAP-WDEREUQCSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCC[C@@]1(N)CCC[C@@H](C(F)(F)F)C1 113979108 CBZGXJHGPAUDPU-HZPDHXFCSA-N 307.444 5.967 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1ccc(Cl)s1 115064639 NTXNNAGMAYELTC-CQSZACIVSA-N 302.911 6.356 30 10 DKEE CCCCCCCC/C=C/CCCCCCCC(OC)OC 136586557 WBNMCUYSZJIEFY-VAWYXSNFSA-N 312.538 6.643 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H]1Cc2ccccc2S1 140367524 RCSPPXSURSSWAI-IEBWSBKVSA-N 305.531 5.432 30 10 DKEE CCSc1cccc(N[C@@H](C)c2ccc(C)s2)c1C#N 167578334 PXQORTCLEKWHOV-LBPRGKRZSA-N 302.468 5.213 30 10 DKEE CCCCCCCCCOc1ccc(C(=O)CC)cc1[N+](=O)[O-] 169872412 KNUZPRCDLDGUHI-UHFFFAOYSA-N 321.417 5.317 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccsc1 191428095 UTRZBYHJYFZBBP-UHFFFAOYSA-N 300.427 5.244 30 10 DKEE CCCCCCCC[C@@H](NC)C(C(F)(F)F)C(F)(F)F 232956550 GPHKQRHLFKUGHP-SNVBAGLBSA-N 307.322 5.066 30 10 DKEE CCOc1ccc2ccccc2c1C=Nc1ccc(C)cc1C 254556818 PTDXPGPUKPOIBB-UHFFFAOYSA-N 303.405 5.606 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1cccc(Cl)c1Cl 312237170 NVQZUXSNHWVFFG-HNNXBMFYSA-N 312.284 5.474 30 10 DKEE O=C(C1=CCCCCC1)c1cccc(OCc2ccccc2)c1 390787795 ZLEYWCZEJWPDCN-UHFFFAOYSA-N 306.405 5.339 30 10 DKEE CCCCCCC[C@@H](CCOCc1ccccc1)NCCC 395576900 XGHCUXRZGPPMMG-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE CCCCCCC[C@H](N)c1sc(C)c(Br)c1C 724909374 NIQWPUMWYNFAGT-LBPRGKRZSA-N 318.324 5.488 30 10 DKEE N#Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 953069133 OJSIXTHOZPURTL-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCCCCCCCN[C@@H]1CCCC[C@@H]1O 1615946879 DSVVGSQCZNZDJB-UXHICEINSA-N 311.554 5.581 30 10 DKEE CC(C)Sc1ccc(Nc2ncc3c(c2C#N)CCCC3)cc1 1859511068 LYOYPZBIOCSEEK-UHFFFAOYSA-N 323.465 5.076 30 10 DKEE C=CCn1c(-c2ccc(OCCCC)cc2)nc2ccccc21 1873520069 SHXUOIXXNJVQGW-UHFFFAOYSA-N 306.409 5.068 30 10 DKEE CC(C)(C)[C@@](C)(CS)CN(Cc1ccccc1)C1CCC1 1893597986 WQBYLKIVWHQKGL-LJQANCHMSA-N 305.531 5.023 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CC(C)(C)C(C)C 1918053318 NKFALJBEFOEOTC-FQEVSTJZSA-N 303.556 5.856 30 10 DKEE C#CCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 1920026130 LYRWUPLOTVNIJL-LBPRGKRZSA-N 305.632 5.264 30 10 DKEE C=C(COCc1ccccc1)[C@H](C[C@@H](C)CC(C)(C)C)NCC 1922080833 RHALUBSAHFJKIK-XLIONFOSSA-N 317.517 5.200 30 10 DKEE C=CCC[C@@H](NCCC)c1cscc1OCc1ccccc1 1934836657 VLKLVCLMXZPTBL-GOSISDBHSA-N 315.482 5.334 30 10 DKEE CCCCCCC[C@@H](O)c1c(C)sc(C)c1Br 1940500232 ONQOFPSJNKBQDC-GFCCVEGCSA-N 319.308 5.521 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccccc1 1977451054 OUBRBCMOQWOIFB-MMKMLUHNSA-N 315.501 5.095 30 10 DKEE C=CCC[C@H](C)N[C@H]1CCC(C)(C)C[C@@H]1OCc1ccccc1 1979634488 DZZVADWSDWQXFD-IHPCNDPISA-N 315.501 5.095 30 10 DKEE C=CCCN(Cc1ccccc1)CC12CC3CC(CC(C3)C1)C2 1990798030 AONHTIJAFYIQPB-UHFFFAOYSA-N 309.497 5.281 30 10 DKEE C=CCCCCC[C@@H](NCC)c1scc(Cl)c1Cl 2035096215 HCUOYSUNLRHWNQ-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE CCCCCCCCOCc1cnc(Br)cc1C 2057193491 SNRFAZLQIWMQLS-UHFFFAOYSA-N 314.267 5.030 30 10 DKEE CCCC#CCC[C@@H](NCCC)c1cccc(Br)c1 2138985511 FYHIGVSQZPSYLT-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCCCCCCCN(C)Cc1c(Cl)cc(C)nc1Cl 2196692961 UWFGCPAFUFZIFT-UHFFFAOYSA-N 317.304 5.489 30 10 DKEE N#C[C@H](CNc1ccc(Cl)c(Cl)c1F)C1CCCCC1 2197910319 YGKVUUIYRLQZTB-LLVKDONJSA-N 315.219 5.264 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 2206900767 WHGMTDWKBLRMJL-INIZCTEOSA-N 315.240 5.123 30 10 DKEE CC[C@@](C)(C#N)Cc1c(Br)sc2ccccc12 2213049941 MTZXCTDPMWMBPO-CQSZACIVSA-N 308.244 5.146 30 10 DKEE N#Cc1cc(Br)ccc1SCCCCCC1CC1 2220023453 UQJPJUBBQQFRJM-UHFFFAOYSA-N 324.287 5.383 30 10 DKEE COc1cc(Sc2ccc(Cl)c(Cl)c2)ccc1C#N 2225958999 MQWOXFNFBYTYMV-UHFFFAOYSA-N 310.205 5.025 30 10 DKEE CCCCCCCCCOc1nc(Cl)c(C(C)=O)s1 2230976564 CJOQVFMNAIMEPX-UHFFFAOYSA-N 303.855 5.129 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(Cl)cc1Cl 2231483211 JVTMLGICUFUEMU-STQMWFEESA-N 300.273 5.116 30 10 DKEE C=C([C@H](Cc1cccc(Cl)c1Cl)NCCC)C(C)(C)C 2235755500 DPTCSOFAXCPDIF-HNNXBMFYSA-N 314.300 5.506 30 10 DKEE CCCCCCCCCCCOCCCCCC(N)=S 2239547225 DLRTZANZANXPCI-UHFFFAOYSA-N 301.540 5.380 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(Br)c(C)c1C 2247222999 HSMZMCPARVQFGL-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE C=C(C)CCCCN(C)[C@H](C)c1cc(Br)cs1 2250143146 VMIOEIMIOCDITB-GFCCVEGCSA-N 316.308 5.250 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cc(C)c(Br)cc1C 2321224378 KGDUGUZMURWKFF-CVEARBPZSA-N 311.263 5.092 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1C 2339021845 GEHJSZXKNAJFCT-OAHLLOKOSA-N 302.289 6.052 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cccc(Cl)c1C(F)(F)F 2370481272 CCJLWVCAUOELRJ-ZIAGYGMSSA-N 305.771 5.351 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1csc(C(F)(F)F)c1 2370524639 HCZQAZHPLVIKFG-KBPBESRZSA-N 305.409 5.410 30 10 DKEE C=C(C)COc1cccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21 14551520 NDFLBHLWJXWLDO-WFXMLNOXSA-N 317.432 5.468 30 10 DKEE CCOc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)cc1 33398619 BDEFOFKJHYVJGR-XFXZXTDPSA-N 320.310 5.000 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(C#N)cc1Br 59460183 BAKGEEYLBWBJGE-ZDUSSCGKSA-N 323.278 5.482 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(C(F)(F)F)c1 110162655 UIHYGXPUYMYAAL-YGRLFVJLSA-N 316.754 5.243 30 10 DKEE CCCCCCCCCC[C@@H](CSC(C)(C)C)NCC 115645022 TUBDPSWKHZXMMH-KRWDZBQOSA-N 301.584 6.027 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(Br)o1 124997016 XFBJGKLQMNGMFR-GFCCVEGCSA-N 302.256 5.053 30 10 DKEE CCCCCCCCCCCC[C@@H](NCCC)C(F)(F)F 162520210 RDMNJTFRFJRERU-MRXNPFEDSA-N 309.460 6.228 30 10 DKEE CC(C)CCN(Cc1ccc(C#N)cc1Cl)C1CCCC1 162923113 XIPVNMAJKNSMHZ-UHFFFAOYSA-N 304.865 5.002 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232962144 GTZBYGKXPVLOPW-YVSFHVDLSA-N 317.608 5.470 30 10 DKEE CC[C@H](C)[C@@H](C)[C@H](C#N)Sc1ccc(Br)cc1 319711199 DWXPYZPKJJHXLH-WDMOLILDSA-N 312.276 5.116 30 10 DKEE Cc1cc(SCC2(CS)CCCC2)nc2ccccc12 380516340 QJSJRCYMMQHMAO-UHFFFAOYSA-N 303.496 5.126 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@@H]1C(C)(C)C 698360820 VAPPSCHQOTWDFG-DNVCBOLYSA-N 322.493 5.131 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@H]1C(C)C 698377371 NJOFYESUGDCTGR-BXWFABGCSA-N 322.493 5.131 30 10 DKEE CCCCCCCCN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 718095365 ZHMNWJHIIYRCJO-VQTJNVASSA-N 317.517 5.320 30 10 DKEE Clc1ccc(Cl)c(NN=Cc2cccc3ccccc23)c1 1084569652 MVJRDENWXDZGSF-UHFFFAOYSA-N 315.203 5.593 30 10 DKEE CCCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccc(C)cc1 1615620575 MCKSUTZPJTXTNH-WCZGFUKNSA-N 323.485 5.653 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(F)cc1Br 1920430763 OTZYKLUDNWVRPD-OAHLLOKOSA-N 316.258 5.123 30 10 DKEE C=CCCCC[C@@H](NCC)c1scc(C)c1Br 2009485800 YRWKIMCSWCVBMF-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE C=CCCCC(=O)c1cc(Br)cc(C(F)(F)F)c1 2052293523 ZBKBPQRVLFRXGG-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC12CC2 2053368080 YGPBBLNBUWLOES-MLGOLLRUSA-N 304.231 5.027 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2090617625 UZANXWIXRIERHW-LBPRGKRZSA-N 312.162 5.152 30 10 DKEE C=CCCC[C@H](Cc1cccc(Br)c1C)NCCC 2116494408 HJBOHWSGAHZQNI-MRXNPFEDSA-N 324.306 5.025 30 10 DKEE C[C@H]1C[C@](C#N)(Nc2ccc(Cl)cc2)c2ccsc2S1 2152748383 IZIGYKULGSIOAG-ZUZCIYMTSA-N 320.870 5.117 30 10 DKEE CCCCCCCCCC[C@H](CC(C)(C)SC)NCC 2164234898 BMYREEORNDSYOB-QGZVFWFLSA-N 301.584 6.027 30 10 DKEE C=CC1(CC(=O)c2ccc(C(F)(F)F)c(Cl)c2)CCC1 2168008378 WVVFUGFJQPWDRO-UHFFFAOYSA-N 302.723 5.288 30 10 DKEE CCCCCC#CC[C@H](NCC)c1ncc(Cl)cc1Cl 2203791965 ONNDEIBNTMLMDC-HNNXBMFYSA-N 313.272 5.013 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1cscc1Cl 2207443360 ZMGGLROGMBNTKI-KRWDZBQOSA-N 313.938 6.359 30 10 DKEE Cc1sc(C(=O)C2=CCCCCC2)c(C)c1Br 2213755868 RZCRZCTYFUKRDB-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1cccc(Cl)c1Cl 2231483488 LYIKSCLJHQLURP-CHWSQXEVSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCCSc1cccc(SC)c1CN 2287095858 DSMRMQHJFDQRGP-UHFFFAOYSA-N 309.544 5.486 30 10 DKEE CCCCCCC[C@H](OCC(=O)O)c1cc(Cl)sc1C 2290894781 MMYVYZHYPPQWTN-ZDUSSCGKSA-N 318.866 5.213 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)sc1Cl 2339568247 NZGDUAUJEBYHTL-PWSUYJOCSA-N 316.297 5.145 30 10 DKEE COc1cc(C(=O)C2=CC[C@H](C(C)(C)C)CC2)sc1Cl 2365824104 OFRGDEZYHZHFCS-NSHDSACASA-N 312.862 5.365 30 10 DKEE C[C@H]1CCC[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)C1 2366910000 OSEALUFEPUMRLP-GUYCJALGSA-N 310.268 6.036 30 10 DKEE Cc1cc(C)c(/C=N/c2ccc(C)c(Br)c2)c(C)c1 59458991 ZJTWFEVPDWJECL-VXLYETTFSA-N 316.242 5.433 30 10 DKEE Cc1cc(Oc2ccc(Cl)cc2C#N)c(C(C)C)cc1N 87465697 TWEMAFGTJVRPNM-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE CCCOc1ccc(OCC(CS)(CCC)CCC)cc1 94584218 JKMNFKNVZBVDIZ-UHFFFAOYSA-N 310.503 5.371 30 10 DKEE CCCCCCCOc1cccc(NCc2ccc(F)cc2)c1 100038737 YEMGIVBVULRIRK-UHFFFAOYSA-N 315.432 5.787 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 109900855 ZCLWNHPEQRQLIR-BRWVUGGUSA-N 301.499 5.736 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1cc(F)ccc1F 109901050 WYRVGZVOXVITMV-GFCCVEGCSA-N 305.393 5.416 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1c(Cl)ccc(F)c1Cl 109945400 AOACTWOAJSSDDB-SNVBAGLBSA-N 323.198 5.486 30 10 DKEE CCCCCCC[C@@H](Nc1ccc(Cl)cc1)C(=O)OCC 110320706 WCAMRFVZODYVCC-MRXNPFEDSA-N 311.853 5.044 30 10 DKEE CCCCCCCCCCN[C@@H](CC)c1ccc(Cl)cc1 129281762 GBFSRFAFCTWXNQ-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCCCCCn1ccc([C@H](O)C(F)(F)F)c1 132517407 DNIZENMDTUBWBV-HNNXBMFYSA-N 305.384 5.225 30 10 DKEE CCCCCCCCCCOc1cc([N+](=O)[O-])ccc1Cl 133596611 KLDNFECKUMAXAT-UHFFFAOYSA-N 313.825 5.768 30 10 DKEE N#C[C@]1(Cl)C[C@H]2CC[C@H]1C2=C(c1ccccc1)c1ccccc1 138501268 GFNFFLFIDZITAV-LVCYWYKZSA-N 319.835 5.420 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(Br)cc1Cl 167674930 SKVPDBJJVADHHF-CQSZACIVSA-N 316.670 5.109 30 10 DKEE N#Cc1ccc(Sc2cc(Cl)cc(Cl)c2)cc1Cl 302668202 KQAFIYISYJCOFT-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CCCCCCCNc1ccc(NC(=O)OC(C)(C)C)c(C)c1 697623834 RNFLHOAENYZDSK-UHFFFAOYSA-N 320.477 5.724 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1c(Cl)cccc1Cl)NCCC 715750794 XKNOBEFVVZUYBG-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C[C@H](Nc1cc(F)cc(C#N)c1)c1cc(Cl)ccc1Cl 718511341 SPHMSSNGQRNDCN-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc2cc[nH]c2c1 1865985049 YDOTXIOWRDEMAP-UHFFFAOYSA-N 314.473 6.027 30 10 DKEE C[C@](O)(CC#CC1CCCCC1)c1ccc(Cl)cc1Cl 1919617959 JDESMYXQULTZMB-KRWDZBQOSA-N 311.252 5.175 30 10 DKEE CCCCCCCCC=CCCCCCCCC(=O)NC1CC1 1933278066 SLHWKPYJQCETBE-UHFFFAOYSA-N 321.549 6.303 30 10 DKEE C=CCC[C@@H](C)[C@@H](O)c1cc(Cl)c(C)c(Br)c1 2002244403 NPOKLHMZMVECAS-YMTOWFKASA-N 317.654 5.047 30 10 DKEE CCC[C@@](C)(C#N)Cc1cc(Cl)c(C)c(Br)c1 2002349448 PFQMDUAVLLTROB-CQSZACIVSA-N 314.654 5.283 30 10 DKEE CCCCCCCC[C@H](NCC)c1csc(C(F)F)c1 2164298398 VJIPXQWTNQWVHF-AWEZNQCLSA-N 303.462 6.087 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@@](C)(=O)C[C@@H]1O 2172977544 DZJIOFULGQQDTA-FUHIMQAGSA-N 302.439 5.281 30 10 DKEE Cc1cc([C@H](C)Nc2cc(Cl)c(F)cc2C#N)c(C)s1 2184459156 YTBKOIIIDATLDG-VIFPVBQESA-N 308.809 5.202 30 10 DKEE Cc1cc(C#N)ccc1CNc1c(C)cc(Cl)cc1Cl 2201070241 MVEDBBIZOZOCGW-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CCCCCCCCCC[C@H](CSC(C)(C)C)NN 2207441478 YNRQYNOVIIGERB-MRXNPFEDSA-N 300.556 5.047 30 10 DKEE C=CCCCCCCC[C@H](N)c1ncc(Cl)cc1Cl 2227289393 UBXXNIHOWYSUBY-AWEZNQCLSA-N 301.261 5.305 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)cc(F)c1Cl 2231194193 VBXOVGQSXHXDJF-AWEZNQCLSA-N 307.236 5.917 30 10 DKEE CCCCCCCCCOc1nc(Cl)nc(Cl)c1C 2266795482 OZPWAJWTCAWJIE-UHFFFAOYSA-N 305.249 5.221 30 10 DKEE C=C([C@@H](NCCC)c1csc(Cl)c1OC)C(C)(C)C 2268920462 AKTAOLHOIKRLCL-GFCCVEGCSA-N 301.883 5.053 30 10 DKEE CN(CCCCCCCS)Cc1cc2cscc2s1 2277502014 JRGFHZPDXFPFJW-UHFFFAOYSA-N 313.557 5.275 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1cc2cscc2s1 2289866949 KPSVPLLJYRUFEU-OAHLLOKOSA-N 303.496 5.197 30 10 DKEE C=CC[C@@H](C)Oc1c(Cl)cc(CN[C@@H](C)CC)cc1Cl 2296254029 SBHIUAYRCMUJFM-NWDGAFQWSA-N 316.272 5.225 30 10 DKEE O=C(C=Cc1cccs1)c1ccc(Sc2ccccc2)cc1 2297550864 MCXVIWNDSYVMSR-UHFFFAOYSA-N 322.454 5.795 30 10 DKEE C(=Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1 2297638921 JGULAIZSMRHLOK-UHFFFAOYSA-N 314.413 5.714 30 10 DKEE CCSc1ccc(C(CC)=NOCc2cccc(C#N)c2)cc1 2330292814 IEDKPOHYGOBJPH-UHFFFAOYSA-N 324.449 5.001 30 10 DKEE CC[C@@H](C)[C@H]1CSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340145685 JAMVEDZWKQAJIG-PRHODGIISA-N 317.285 5.040 30 10 DKEE CC(C)[C@@H](CS)COCCCc1cc(Cl)cc(Cl)c1 2341125134 RRWUSDRKXVEOGT-CYBMUJFWSA-N 321.313 5.145 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(Br)cc1C 2344370256 ABEQOVZSKBGUGQ-IAGOWNOFSA-N 324.306 5.401 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1sc(Cl)cc1OC 2344386357 VYXSUDCJRZJBKA-HUUCEWRRSA-N 301.883 5.053 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(F)c(Cl)c(Cl)c1 2352383221 MBSHKUYAIAIJRV-CQSZACIVSA-N 307.236 5.917 30 10 DKEE CCCCC#CC[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2366402208 YAGGYTTYWGEPCN-OAHLLOKOSA-N 316.247 5.367 30 10 DKEE CC(C)(C)c1ccc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cc1 33397643 DLTLJPHIQGOXIB-SXGWCWSVSA-N 320.476 6.178 30 10 DKEE C[C@@H](Nc1ccc(CC#N)cc1)c1c(Cl)ccc(F)c1Cl 37071437 XUFAUMSHZUNWLX-SNVBAGLBSA-N 323.198 5.372 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(C)cc2)C1 37154466 QWOOKFSVXJCGCH-XYJFISCASA-N 301.499 5.832 30 10 DKEE CCCCCCCOc1cccc(CN[C@@H]2CCC[C@H](C)C2)c1 100131290 ODCSDBDWAHZRAM-AZUAARDMSA-N 317.517 5.704 30 10 DKEE CC(C)[C@H]1CC[C@@H](C)/C(=C/c2ccc(Br)cc2)C1=O 101679973 XXWIKUUTIWHVPA-PIWUGONTSA-N 321.258 5.104 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccccc1Br 109730819 MNXFSNGHGUSDNO-MRXNPFEDSA-N 312.295 5.590 30 10 DKEE CCCCCCCCCC[C@H](CSCC(C)C)NCC 115645408 ZRRRSTFKFQKDQM-GOSISDBHSA-N 301.584 5.885 30 10 DKEE CCCCCCCCCC[C@H](N)COc1ccc(Cl)cc1 143412028 HSWZPRCDCCEDHH-KRWDZBQOSA-N 311.897 5.577 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc2cccc(Cl)c2o1 159630733 VQJYGSPRBMRKAX-MRXNPFEDSA-N 308.849 6.260 30 10 DKEE CCCCCCCCCC[C@H](N)c1c(F)cc(F)cc1F 162343769 DQUSXFBKKZIOJG-INIZCTEOSA-N 301.396 5.635 30 10 DKEE C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]21C 169513177 YGBZFOQXPOGACY-VLSHKJCESA-N 302.458 5.372 30 10 DKEE biogenic N#Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1Cl 226057533 FJPZCXBLIRDXIW-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCC[C@H](NN)c1ccc(Cl)c(F)c1 232925700 FDPWBPHRHBRHHD-INIZCTEOSA-N 300.849 5.124 30 10 DKEE Cc1cc(C)c(N=C(Oc2ccccc2)c2ccccc2)c(C)c1 254386048 RKFAYTAPBDLVJJ-UHFFFAOYSA-N 315.416 5.769 30 10 DKEE O=C(C1=CCCCCCC1)c1cccc(OCc2ccccc2)c1 303935514 QDKAEQSDAHEZCR-UHFFFAOYSA-N 320.432 5.729 30 10 DKEE C=CCC(C)(C)CNCc1c(Cl)ccc(Cl)c1Cl 311174942 TWGPOFCJLNSXTR-UHFFFAOYSA-N 306.664 5.339 30 10 DKEE N#Cc1ccc(NCc2cc(Cl)sc2Cl)cc1Cl 312559094 MJLVXFOJDKUHMZ-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE C=C1CCC(CNc2ccc(Br)c(F)c2C)CC1 724548467 CFFUEBQHKZSQTB-UHFFFAOYSA-N 312.226 5.055 30 10 DKEE CC(C)c1ccccc1C12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2 1772798084 DLOSGCASUQLERW-UHFFFAOYSA-N 312.262 5.078 30 10 DKEE C=C(C)Cn1c(C2CCC(CCCC)CC2)nc2ccccc21 1873515800 VGCHKOFKMHRBEY-UHFFFAOYSA-N 310.485 6.076 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)c1cccc(C)c1C 1922063917 ACGHKVAZQSPJIZ-QFIPXVFZSA-N 323.480 5.117 30 10 DKEE CC(C)[C@@H](C)N(CCCCC(C)(C)C#N)Cc1ccccc1 1931993617 VXHUUZGCTDEWQM-GOSISDBHSA-N 300.490 5.253 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC(C)(CC)CC1 1981061830 ZZOKAYNCPIMZTR-MNNVXMFVSA-N 322.493 5.275 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1sc(C)cc1Br 2000376916 RDJYVKNDPKDRPC-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(Br)cc1 2050513680 RKZREJLRIWHRGI-INIZCTEOSA-N 310.279 5.236 30 10 DKEE CC(C)c1cc(C(F)(F)F)ccc1-n1cc(C#N)c(C(C)C)n1 2069853809 IQLOSBKTYBVGCT-UHFFFAOYSA-N 321.346 5.010 30 10 DKEE C=CCCCCCCC[C@H](N)c1cccc(Br)c1 2085840798 BKTZYQLIXPGWAR-INIZCTEOSA-N 310.279 5.366 30 10 DKEE CC(C)C(C(C)C)[C@@H](C)Nc1ccc(C#N)cc1Br 2087328417 VQZOMUFZSDJKAF-GFCCVEGCSA-N 323.278 5.049 30 10 DKEE CC[C@H](C)[C@H]1CSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 2136524105 CVGAUPZGWLSCGU-ISVAXAHUSA-N 317.285 5.040 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(Br)c(C)c1 2141916078 ICJZPNYIEXNOJL-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCCCCCCCC[C@](C)(O)[C@H]1CCSC1 2146147464 QYSDLZRXVDNXCT-ROUUACIJSA-N 300.552 5.802 30 10 DKEE CSc1ccc([C@H](O)[C@]2(C#N)CCCC(C)(C)CC2)s1 2157096936 AOEZSYQSCUNQQH-GOEBONIOSA-N 309.500 5.004 30 10 DKEE CCCCC#CCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 2203881713 WFEZJCCEQBPVNR-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CC[C@@](C#N)(C(C)C)[C@H](O)c1ccc(-c2cccs2)s1 2205865641 LTQACOWILUOIQW-HZPDHXFCSA-N 305.468 5.086 30 10 DKEE C#CC[C@H](C)C[C@@H](NCC)c1ccc(-c2cccs2)s1 2205875891 BMXXBBFPCFGZKM-UONOGXRCSA-N 303.496 5.177 30 10 DKEE N#Cc1cc(Br)ccc1CSCCCCC1CC1 2220017612 IEYFNPYMFYQAQC-UHFFFAOYSA-N 324.287 5.134 30 10 DKEE CCCCCCCCCCCOc1cc(Cl)nnc1Cl 2239556360 IBVQAQHTLFWKHH-UHFFFAOYSA-N 319.276 5.693 30 10 DKEE C[C@H](C1CC1)N(CCCCCCCS)Cc1ccccc1 2242388500 HLKNKDBCPFWMBH-QGZVFWFLSA-N 305.531 5.167 30 10 DKEE CC(C)c1ccc(Oc2c(Br)cccc2C#N)cc1 2269724113 ABBVJAZOUVOYID-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccc(C)c(Br)c1C 2271842132 SPVDWOUTEIIHCY-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE CCCCCCC[C@](C)(CSC(C)(C)C)OCCCN 2293649066 OZRODGMFVFZMMZ-QGZVFWFLSA-N 303.556 5.003 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@H](N)c1sccc1Cl 2295678971 LJZFMPQRHZTNMH-CVEARBPZSA-N 317.926 5.293 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1sc(Br)c(C)c1C 2304124312 CNBKFVAAHFJXLH-JSGCOSHPSA-N 317.292 5.153 30 10 DKEE C=CCC(CC=C)SCc1c(Cl)nc(Cl)nc1Cl 2313663369 BFNLLHFANFSIQG-UHFFFAOYSA-N 323.676 5.191 30 10 DKEE CCCCCCCCC(=O)c1c(Cl)cc(F)cc1Cl 2335356259 OQYAFQVLQZQWAT-UHFFFAOYSA-N 305.220 6.066 30 10 DKEE CCCCCC#CC[C@H](N)c1c(Cl)cc(F)cc1Cl 2340798247 LDBDKIKZCFYSBH-AWEZNQCLSA-N 302.220 5.106 30 10 DKEE C=CCC(CC=C)SCc1csc(CNCC(C)C)c1 2360201945 QUZDWCORRKPYSE-UHFFFAOYSA-N 309.544 5.248 30 10 DKEE CC#CCCCCCCCC(=O)Nc1ccc(OC)c(Cl)c1 48534525 CDDINEAMWBFLFA-UHFFFAOYSA-N 321.848 5.041 30 10 DKEE N#Cc1sc(-c2ccc(Cl)cc2)c(-c2cccs2)c1N 52902324 UZVJRJJWDJMGFL-UHFFFAOYSA-N 316.838 5.251 30 10 DKEE Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1C 59514002 GVJRSDSGRUDFIN-HZHRSRAPSA-N 315.416 5.633 30 10 DKEE Cc1ccc(OC(C)C)c(C(=O)/C=C/c2sccc2C)c1 83205134 JWJDHYNEUYEMPC-SOFGYWHQSA-N 300.423 5.048 30 10 DKEE CCCCCCCCOc1ccccc1[C@H](C)NCC(C)(C)C 100047896 XRVHJHKLLHUFOM-SFHVURJKSA-N 319.533 6.123 30 10 DKEE CCCCCCCCCCCCN1C(=O)c2cscc2C1=O 117829987 QTFIKHQXJQIECF-UHFFFAOYSA-N 321.486 5.265 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H]1CCCc2sccc21 140461846 ACEZOFKUOJMZFU-WMZOPIPTSA-N 307.547 5.897 30 10 DKEE CCCCCCCC[C@H](CCCCCC)CS(=O)(=O)O 197040390 QMSYAOBYGPQUQF-INIZCTEOSA-N 306.512 5.211 30 10 DKEE C=CCCCCC[C@@H](Cc1cccc(Br)c1)NCC 233537812 LBWLBSVJAKMKLT-KRWDZBQOSA-N 324.306 5.106 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(Cl)ccc2Cl)C1 300517948 LPPXJIZTEPJTFZ-HFBAOOFYSA-N 312.240 5.137 30 10 DKEE O=C(C1=CCCCCC1)c1cc(C(F)(F)F)ccc1Cl 406068753 MPUKAWNLUYCGQW-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCC[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698419585 OAZRZLNHZJPBFZ-YOEHRIQHSA-N 316.445 5.065 30 10 DKEE CCCCCCCN[C@H](C)c1ccc(Br)s1 703733876 LFFYUEZGQRDUQP-LLVKDONJSA-N 304.297 5.132 30 10 DKEE CC(C)(C)OC(=O)NC1(C#N)CCCCCCCCCCC1 710705906 COTWSNGXUZVBGO-UHFFFAOYSA-N 308.466 5.078 30 10 DKEE CCCCCCCCCC(=O)C[C@@H](C)COCc1ccccc1 719641885 AZFBIMHUXAMXEQ-LJQANCHMSA-N 318.501 5.939 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cc(Cl)cc(Cl)c2)CC1 724589812 SQKKNNMETZDEQB-KRWDZBQOSA-N 312.284 5.781 30 10 DKEE N#Cc1c(C(F)F)ccc2c(SC(F)(F)F)csc12 725291194 FHFMWQXUZBUQIX-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CC[C@H](C)c1ccc(N=Cc2cccn2-c2ccccc2)cc1 1084135539 RRDNCEFWPMCZGD-KRWDZBQOSA-N 302.421 5.741 30 10 DKEE Clc1cc(Cl)cc(N=Cc2cccc3ccccc23)c1 1084328504 HDQPXARLBHQRHY-UHFFFAOYSA-N 300.188 5.897 30 10 DKEE CCCCCCCCCCNC(=O)CCOc1cccc(C)c1 1859577841 RMBXAMNDZJCYFJ-UHFFFAOYSA-N 319.489 5.021 30 10 DKEE C=C(C)Cn1c(COc2c(C)ccc(C)c2C)nc2ccccc21 1873515144 HBOISKIIPHPBKS-UHFFFAOYSA-N 320.436 5.117 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1Cl 1874614317 FGLASUFXEMCXHS-CSKARUKUSA-N 300.785 5.025 30 10 DKEE C=CCCCCC[C@]1(N)CC[C@H](C)C[C@H]1OCc1ccccc1 1977524927 OCJHYVUJGRRUQM-TYPHKJRUSA-N 315.501 5.226 30 10 DKEE C#CCCCC[C@H](NCC)c1ccc(OCc2ccccc2)cc1 2005478949 MDDJJSKTXXAPDD-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE CC[C@@H](c1ccc(C)cc1C)n1nc(C2CCCCC2)cc1C#N 2070095176 OHSFJWYORJVYAE-NRFANRHFSA-N 321.468 5.419 30 10 DKEE Cc1cccc([C@H](C)n2nc(C3CCCCC3)cc2C#N)c1C 2070112908 VJXHYJKWZHUQCL-INIZCTEOSA-N 307.441 5.029 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cc(Cl)cs1 2102387201 AUZQDMZIKUNAGQ-CQSZACIVSA-N 302.915 5.437 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1cc(Cl)cs1 2142451589 YHRXDQMJUYCIDA-AWEZNQCLSA-N 300.899 5.213 30 10 DKEE C=C1CC(CNC(C)(C)C)(Cc2c(Cl)cccc2Cl)C1 2159584155 MXVIOUAKTFRQHX-UHFFFAOYSA-N 312.284 5.260 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1ccc(SC(F)(F)F)cc1 2164258501 VJJNZXDLSPVNEM-RISCZKNCSA-N 303.393 5.161 30 10 DKEE C=C1CC(C[C@H](N)c2ccc(-c3cccc(Cl)c3)s2)C1 2182170439 GQRQGTUQHQQKKK-HNNXBMFYSA-N 303.858 5.425 30 10 DKEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1ccc(Cl)cc1 2184457886 JUJKRURTYQNWHV-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCC(CS)(CCC)COCCC(C(C)C)C(C)C 2189252135 LZKFUTWRMYHDMY-UHFFFAOYSA-N 302.568 5.838 30 10 DKEE CCCC(CS)(CCC)CO[C@H]1CCCC(F)(F)CC1 2207037002 GOKGYWGFHBZJSM-AWEZNQCLSA-N 308.478 5.487 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1c(Cl)cncc1Cl 2207414040 MIUPRKVHXQIWOX-OAHLLOKOSA-N 315.288 5.695 30 10 DKEE CCCCCCCC[C@H](O)[C@H](N)c1c(Cl)cccc1Cl 2207449170 MKMPKCVMUSEORQ-HOCLYGCPSA-N 318.288 5.105 30 10 DKEE CCCCCCCCCOc1cc(Br)cc(C#N)c1 2230982799 UQSSSTPFJIWYDW-UHFFFAOYSA-N 324.262 5.450 30 10 DKEE C=CCCCCCCCC(=O)[C@@H](O)c1cc(C)c(Cl)s1 2235527372 UXXGYIUCVFKHPL-OAHLLOKOSA-N 314.878 5.229 30 10 DKEE C=CCCCCNc1cc(Cl)c(Br)cc1Cl 2246022122 WCTATNAOTDHBRE-UHFFFAOYSA-N 323.061 5.524 30 10 DKEE CC1(C)CC[C@H]([C@H](C#N)c2ccc(Br)c(F)c2)C1 2259029033 ASBAGRLBYDMFFO-NWDGAFQWSA-N 310.210 5.022 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(Cl)ccc1Cl 2284108680 IBFKTJKNYAYQPS-MRXNPFEDSA-N 310.268 5.250 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccccc2C(F)(F)F)cc1C 2296876345 NIQCPEWTXPSMOJ-UHFFFAOYSA-N 319.326 5.131 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)sc1CN[C@@H](C)CC 2313689361 OJOLYIQBEYMZIR-QWRGUYRKSA-N 303.924 5.346 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1F)c1ccc(CC)cc1 2330251237 AWZARPTWYKGUGT-UHFFFAOYSA-N 319.807 5.372 30 10 DKEE CCCCC[C@H]1O[C@@H]1CC=CCC=CCC=CCCCC(=O)O 2333317127 JBSCUHKPLGKXKH-RTBURBONSA-N 320.473 5.428 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H]1CCSc2ccc(Cl)cc21 2362239178 KZOZBWTTWUAPFW-WQVCFCJDSA-N 307.890 5.211 30 10 DKEE CC#CCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2364551836 SJQGULNFPSPIBQ-INIZCTEOSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCN(C)Cc1cc(F)c(Cl)cc1Cl 2377293719 ZLLHGQORRPTAJE-UHFFFAOYSA-N 318.263 5.701 30 10 DKEE CCCCC[C@@H]1CC[C@@H](c2ccc(-c3ccc(C#N)cc3)cc2)C1 5170725 SFJNPWUINCHGCX-WZONZLPQSA-N 317.476 6.689 30 10 DKEE Clc1cccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)c1 5816394 BPVDEMBTZLWSTQ-CNHKJKLMSA-N 319.018 6.051 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1Cl 110262751 MQBWBOQAVZFIPY-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CCCCCCCC[C@H](CNCCC)c1cccc(Cl)c1 118855118 OYBOSOBUUSUHRB-GOSISDBHSA-N 309.925 6.174 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1c(Cl)cc(F)cc1Cl 123438330 MEWACTDBIICAHK-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Br)ccc1C 158208981 KMNWXMABSADJTC-MRXNPFEDSA-N 312.295 5.379 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)CCCC(F)(F)F 163357106 XFSDHNQJDHEBAK-LBPRGKRZSA-N 303.393 5.498 30 10 DKEE N#Cc1ccc(Nc2cccc(Br)c2)c2ccccc12 232467598 ZDNPNWFANTWDIU-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(Br)cc1C 233544031 HGSXNQRGFJEWQK-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE C=CC[C@@H](CC)N[C@H](C)c1cc2cc(Br)ccc2o1 393773757 VWJRSIZZCGFNFY-BXUZGUMPSA-N 322.246 5.201 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H](C)CCCCNC(C)(C)C 1901766088 XLKIZXDBAGNXQC-IBGZPJMESA-N 316.533 5.012 30 10 DKEE CCCCCCC[C@@H](O)c1csc(C)c1Br 1902843634 HQKGZGUJQRQLKT-GFCCVEGCSA-N 305.281 5.213 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1CCC(C)(C)CC1 1975999028 SZLVLEHBNYCWIH-IBGZPJMESA-N 322.493 5.132 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C[C@@H]1CCCO1 1990779641 UKHALUDOFKZZDH-NRFANRHFSA-N 317.517 5.418 30 10 DKEE C=CCCCCC[C@]1(O)CC[C@@H](C)C[C@@H]1OCc1ccccc1 1991142438 GRCAJKDXJPYZAR-GIVPXCGWSA-N 316.485 5.259 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](CC)c1ccc(Br)cc1 2035363556 KVMGCPSIACSEDO-BBRMVZONSA-N 310.279 5.235 30 10 DKEE CCCCCCC[C@@](C)(N)c1c(F)cccc1Br 2053175299 FDABFJWWDRZMFQ-OAHLLOKOSA-N 316.258 5.123 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2cc(Cl)sc2Cl)C1 2074818606 DXAUUFZRBXQKNO-IINYFYTJSA-N 305.270 5.383 30 10 DKEE CCCCC#CC[C@H](NCCC)c1cccc(Br)c1 2138958203 FIZDNSWXRPOQPN-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C#CCCCCC[C@@H](NCC)c1cc2sc(C)cc2s1 2156530379 ZSXZRZFSVIOLEW-CQSZACIVSA-N 305.512 5.506 30 10 DKEE C#Cc1ccc(N[C@@H](C)c2c(Cl)ccc(F)c2Cl)cc1 2177232868 YBOMOPBFKBCYFD-JTQLQIEISA-N 308.183 5.287 30 10 DKEE C=CC1(CN[C@H](C)c2cc(Cl)ccc2Cl)CCCCC1 2189518177 OASPMMJKSFBDHC-CYBMUJFWSA-N 312.284 5.781 30 10 DKEE CCCCCCCCCN(C)[C@H]1CS[C@@H](C(F)(F)F)C1 2195537409 PBJRPOBRBKVBQD-ZIAGYGMSSA-N 311.457 5.105 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200836388 NTZJZVGIAJYUMP-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCC#CC[C@H](Cc1c(Cl)cccc1Cl)NCC 2203786316 DYXWZJAHNOKUAP-CQSZACIVSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCCC[C@H](CCP(C)(C)=O)NC 2207396654 NJORMEMXUFLAIJ-QGZVFWFLSA-N 301.455 5.284 30 10 DKEE CCCCCCCNc1cc(Cl)c([N+](=O)[O-])cc1Cl 2225911388 ZZOPQSOMYMKWNZ-UHFFFAOYSA-N 305.205 5.284 30 10 DKEE Cc1cc2sc([C@H](O)C#Cc3ccc(Cl)cc3)cc2s1 2239561276 IAEAXWMYYDSAGX-CYBMUJFWSA-N 318.850 5.010 30 10 DKEE C=C(C)CCCCN(C)[C@H](C)c1cscc1Br 2250142131 QDVLKQMMPZTFAH-GFCCVEGCSA-N 316.308 5.250 30 10 DKEE CCCCCCCCC[C@H](C)NCCC=CBr 2252957776 RCSAQLVKSKXESQ-HNNXBMFYSA-N 304.316 5.404 30 10 DKEE C=CCCCCCC[C@@H](OCC(=O)O)c1ccsc1Cl 2292434751 XVJUBPMAXLMBMW-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE C#CCCCC[C@H](NCCC)c1ccc(C(F)(F)F)s1 2295008342 HRDBROPXSIJUTQ-LBPRGKRZSA-N 303.393 5.001 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1Cl)c1sccc1Cl 2295224766 RGGNWBUBXWUTSZ-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE CN(C)c1ccc(C=N[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 2297452817 UJOMJJHNDJDJKO-YUXAGFNASA-N 322.496 5.231 30 10 DKEE CCC(=NOCc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 2330284554 OKSHLSBCCXWGJL-UHFFFAOYSA-N 324.207 5.030 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)c(Cl)s1 2339571939 JYNQEQKHLUVSPQ-ZYHUDNBSSA-N 316.297 5.145 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Cl)c(Cl)c1OC 2344472792 DPAFMTLPCMHTMH-CABCVRRESA-N 303.229 5.028 30 10 DKEE C=CCC(CC=C)Sc1c(CNC2CC2)sc(C)c1C 2360375393 ORDPBOVEGUUBEB-UHFFFAOYSA-N 307.528 5.230 30 10 DKEE CCCCCCCCCCCC[C@](C)(O)CC(OC)OC 91467067 MGEHLMYWXWBWHE-SFHVURJKSA-N 302.499 5.057 30 10 DKEE C=C(CC)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 97208601 QJJOPRDQJAINLT-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE CCCCCCCn1c([C@@H](N)CC)nc2cc(C)c(C)cc21 104068459 RDPZNNHDWQICTH-INIZCTEOSA-N 301.478 5.033 30 10 DKEE CCCCCCCCCCCCC(=O)c1snnc1CC 135655005 OXGXJKWTWSLMHS-UHFFFAOYSA-N 310.507 5.594 30 10 DKEE C=C(CNc1cc(F)c(Br)cc1C)c1ccccc1 224358568 RBCPADWZLGAZQW-UHFFFAOYSA-N 320.205 5.022 30 10 DKEE COc1ccc(C#N)cc1CSc1ccc(Cl)cc1Cl 322521309 LZFLOUIIMMWTQA-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 393939693 UVWOWVWMDALKMI-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Br)oc1C 396516119 BJTKXHIZLIRJQE-CQSZACIVSA-N 317.267 5.525 30 10 DKEE C#C[C@H](Nc1cc(Cl)c(Cl)c(Cl)c1)c1ccccc1 404315494 UVESEIOACRTUGN-AWEZNQCLSA-N 310.611 5.433 30 10 DKEE C=C1CCC(CC(=O)c2cc(C)c(Br)c(C)c2)CC1 724590834 WYAPTBSLGSYSBR-UHFFFAOYSA-N 321.258 5.385 30 10 DKEE N#CCc1cc(C(F)(F)F)cc2cc(C(F)(F)F)sc12 725324263 BQPFWFWCMCVHMA-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE CCN(CC)c1ccc(C=NNc2ccc3ccccc3c2)cc1 1083928673 KVLRJTMCGCNSIX-UHFFFAOYSA-N 317.436 5.132 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCCC23CCC3)cc1Br 1921658145 SPTYVOAFLLFSPW-QGZVFWFLSA-N 318.258 5.164 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 2000880898 ZMVYPZIXXZQOIT-NJDAHSKKSA-N 324.512 5.419 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(Cl)c(Br)c1 2009493701 LPCRZKCEJYGOAS-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cccc(Br)c2C)C1 2087419675 UHJHAQFQFZVPGC-PBHICJAKSA-N 320.274 5.410 30 10 DKEE C=CCCCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2141916817 OXIQZICLWWBREF-CYBMUJFWSA-N 321.675 6.207 30 10 DKEE CCCCCCC[C@H](O)[C@H](NCCC)c1sccc1Cl 2148554102 YOIUZFUCBHYBNT-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](Cc1cccs1)c1cccs1 2152863591 FDEVETTWKBBUDU-HOCLYGCPSA-N 305.512 5.428 30 10 DKEE Cc1cc2sc([C@H](O)CC#CC3CCCCC3)cc2s1 2156565621 VSEUNGRQAKVUFG-CQSZACIVSA-N 304.480 5.278 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2ccsc2C(F)(F)F)C1 2157671803 RRYFHUHVNMHQLT-FZMZJTMJSA-N 304.377 5.095 30 10 DKEE C#CCCCC[C@H](NCCC)c1cscc1C(F)(F)F 2173466830 QGAVVBXMRDHEBF-AWEZNQCLSA-N 303.393 5.001 30 10 DKEE CCCCCCCCCCCCS[C@@H]1CCC[C@H](O)C1 2189932768 AYVJZNNGUPRPGO-ZWKOTPCHSA-N 300.552 5.944 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1 2207440216 YECJJKMMTCJALT-QGZVFWFLSA-N 314.300 6.300 30 10 DKEE CCCC1(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)CCC1 2234054751 WNMVEPZDXBXBCH-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cscc1C(F)F 2235512158 ATORKECSXHFVKH-OAHLLOKOSA-N 301.446 5.863 30 10 DKEE C=C([C@H](NC)c1scc(Br)c1Cl)C(C)(C)C 2242661304 OHXQFLDGDWBGMS-JTQLQIEISA-N 322.699 5.027 30 10 DKEE CC(C)(C)C#CC=CCNc1ccc(Cl)c(Cl)c1F 2268823296 LILQAKBRNMPOCL-UHFFFAOYSA-N 300.204 5.150 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc2sc(C)cc2s1 2287422266 NDDLXBWTZFNKMK-CQSZACIVSA-N 307.528 6.058 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2sc(C(F)(F)F)cc2C)CC1 2295000784 FKFHJLYQLOAMEE-SNVBAGLBSA-N 302.361 5.395 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](SCc2ccccc2Br)C1 2318748219 KUBRZLUZLITEPH-LALPHHSUSA-N 324.287 5.011 30 10 DKEE CCCCCCCCCCCCSC1CC(C(=O)O)C1 2362319126 PZWQXLAOLBEHRZ-UHFFFAOYSA-N 300.508 5.504 30 10 DKEE CCCCCCCCC(=O)c1c(F)cc(OC)cc1Cl 2363996683 OICGMIZOJCACMK-UHFFFAOYSA-N 300.801 5.421 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cc(OC)c(Cl)s1 2365816595 RNGRXRCKGZMKPY-ZDUSSCGKSA-N 313.894 5.035 30 10 DKEE C=CCCCCCCNc1cc(Cl)c(C(=O)O)c(Cl)c1 2366405288 OHYZRLMNQBBAOP-UHFFFAOYSA-N 316.228 5.240 30 10 DKEE CC[C@H]1CC[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)C1 2366901163 VEYYPIWWKIFCSG-GUYCJALGSA-N 310.268 6.036 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1ncc(C(F)F)s1 2370521491 JPPYCVOTBTZZBR-DOMZBBRYSA-N 302.434 5.114 30 10 DKEE CC1(C)CC(=O)C=C(/C=C\Nc2ccc(Cl)cc2Cl)C1 3052379 FEKINGNNCDXTKY-WAYWQWQTSA-N 310.224 5.235 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2 14480185 SBMMVGUQILDFKD-NNMXDRDESA-N 317.432 5.386 30 10 DKEE CCSc1ccc(C(=O)/C=C/c2cn(C)c3ccccc23)cc1 83192755 SYFYVUJGGDAUIU-JLHYYAGUSA-N 321.445 5.186 30 10 DKEE CCCCCCCCOc1ccc([C@H](CC)NCCCC)cc1 100047581 CBAJVEDQVJOVPY-NRFANRHFSA-N 319.533 6.267 30 10 DKEE C/C=C\C/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl 100154641 JJTLNJVHENYAPQ-KPJUKZKASA-N 320.219 5.113 30 10 DKEE CC(C)(C)OC(=O)/N=C/c1ccc(Sc2ccccc2)cc1 147615999 CCDPUUPXLYFXDT-CPNJWEJPSA-N 313.422 5.192 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 159046537 DUBNKINKODDFBB-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCC(=O)Nc1cc(C)ccc1Br 164026968 FPUBWZOHYAASMN-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE CCCCCCCCCCCC(=O)Cc1ccc(CC)s1 164888969 UQXDJYUVXKTUID-UHFFFAOYSA-N 308.531 6.343 30 10 DKEE Cc1cccc(Nc2cc(Br)ccc2C#N)c1Cl 302313345 OKZLRARCMPLHDJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(F)cc(Br)c1 387264293 LWTVNRZZBYMVAC-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE C#C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 394519084 SPJCLNKCPBFBSY-SJKOYZFVSA-N 304.220 5.019 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)C[C@@H](CS)c1ccccc1 395707814 OREMMRFNJKZNPJ-PXNSSMCTSA-N 313.510 5.001 30 10 DKEE N#Cc1ccc(CNc2cc(Cl)c(Cl)c(Cl)c2)s1 404317941 XGFSBNXDIKMUID-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE N#C[C@@H](C(=O)c1cc2cscc2s1)c1ccc(Cl)cc1 694335896 VAWAIQSDXBMJEX-GFCCVEGCSA-N 317.822 5.106 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCCC2)CC1 698357151 BCSAPZWGLDIZGT-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698382872 ZLUAFOMGPJBLGX-QFBILLFUSA-N 324.509 5.665 30 10 DKEE CCCCCCCNC(=O)Nc1cc(Cl)ccc1Cl 1082678881 PLUPAFJVVXFLKR-UHFFFAOYSA-N 303.233 5.085 30 10 DKEE C=CCN(CC=C)/N=N/c1cc(C(F)(F)F)ccc1Cl 1860483854 MNLKWGFOMLFGGE-VHEBQXMUSA-N 303.715 5.032 30 10 DKEE CCCCCCCCCCCC(=O)NC[C@@H](C)c1ccncc1 1865985022 VVTDQUGKZGETLW-GOSISDBHSA-N 318.505 5.222 30 10 DKEE CCCCOc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871399898 ZOVZCKRUKFMAPW-UNOMPAQXSA-N 322.404 5.099 30 10 DKEE CCCCCCC[C@](C)(N)Cc1cc(Cl)cc(Cl)c1 1893169470 IMFPKCSVMNVXOI-INIZCTEOSA-N 302.289 5.614 30 10 DKEE CCCCCCCCCO[C@](C)(CC)CNCc1ccccc1 1915268233 KSHHXWFPPJCKFE-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE CCC[C@H](C#N)[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921049231 LUQMWLTZLSXQJU-WBMJQRKESA-N 305.830 5.042 30 10 DKEE C=C(c1ccccc1)[C@H](O)c1cscc1OCc1ccccc1 1991738827 MAWXPEMKXAWTKO-FQEVSTJZSA-N 322.429 5.074 30 10 DKEE C=CCCCCCCCCCOC[C@@H](C)NCc1ccccc1 1995326322 XAWUKFQPJGPGHD-HXUWFJFHSA-N 317.517 5.488 30 10 DKEE C=C(F)C[C@@H](NCCC)c1c(Br)sc(C)c1C 2011353910 JZUPVJBGANQHBE-LLVKDONJSA-N 320.271 5.041 30 10 DKEE CCCC#CC[C@@H](NCC)c1cccc(OCc2ccccc2)c1 2024351700 LCGNATMDWBBWLZ-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=C1CCC(CC[C@H](O)c2ccc(Br)cc2)CC1 2050502395 ZANASOSGWZTKQY-INIZCTEOSA-N 309.247 5.009 30 10 DKEE CCCCC[C@H](CC)Nc1ccc(C#N)cc1Br 2073350985 RAFZPAMMLSTVSN-ZDUSSCGKSA-N 309.251 5.092 30 10 DKEE N#Cc1sc(-c2cc(C3CCCCC3)ccn2)cc1Cl 2080387723 KCIQEPNAGYIOKZ-UHFFFAOYSA-N 302.830 5.383 30 10 DKEE C=CCCCCCC[C@@H](O)Cc1cc(Cl)cc(Cl)c1 2141918029 AWDMOICHFKMHCO-MRXNPFEDSA-N 301.257 5.423 30 10 DKEE C[C@@H]1CCC[C@@](C#N)(Cc2csc(-c3ccsc3)n2)C1 2144694584 KVTGKEFCEADJSS-WBMJQRKESA-N 302.468 5.134 30 10 DKEE CN(CCCCCCCCCS)C[C@@H]1CCC[C@H](F)C1 2152361494 VEZDVXSGHJHAFL-SJORKVTESA-N 303.531 5.107 30 10 DKEE CCC(CC)(CS)CN(C)Cc1cc2ccccc2s1 2164970622 DEZALLHWBZSLGS-UHFFFAOYSA-N 307.528 5.069 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2179252820 BYTMVEBEDQMTAQ-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE CCCCCCCCCCN1CCC[C@@]1(C)P(C)(C)=O 2195687675 LVKQSBVUXZKNPZ-QGZVFWFLSA-N 301.455 5.562 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1cc2sccc2s1 2205544130 RAZUGLCDGHUSQR-BLLLJJGKSA-N 311.516 5.074 30 10 DKEE CCCCCCCC[C@](C)(O)C[C@@H](C)COCc1ccccc1 2212659918 JIEMNLADQBQJAF-CTNGQTDRSA-N 320.517 5.731 30 10 DKEE C=CCCCCCCC[C@H](NC)[C@H]1SCCS[C@@H]1CC 2235518408 GKMKOTJLZTXHHR-GVDBMIGSSA-N 315.592 5.118 30 10 DKEE Cc1cc(Br)ccc1SCCCCCCS 2243751125 QYKWBTAKZBGHIA-UHFFFAOYSA-N 319.333 5.340 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2258562563 NOGLQSYCJJQJHO-CQSZACIVSA-N 306.664 5.485 30 10 DKEE CCCCCCCC[C@](C)(N)c1cnc(C(C)(F)F)s1 2289253112 BJEVEPQJJCFQFP-AWEZNQCLSA-N 304.450 5.179 30 10 DKEE SCCCCCOCCCc1cc(Cl)cc(Cl)c1 2318604718 DCBFMLFIOKVAES-UHFFFAOYSA-N 307.286 5.043 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cccc(Br)c1 2321097888 GANOGMBYRDRJMP-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=Cc1ccoc1 2333257320 UTIGHTZWXIGRIJ-PNYFIKQUSA-N 300.442 5.062 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1c(Cl)ccc(Cl)c1F 2344359746 ZJGSIRLDESKDPN-AWEZNQCLSA-N 304.236 5.385 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345153980 OKMRSDWFEZNEFK-MWLCHTKSSA-N 307.837 5.592 30 10 DKEE CSc1cc(Nc2ccc(Cl)c(Cl)c2)ccc1C#N 2353837538 HHDPIENNCLMUTE-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1C 2364451559 PRLFWRFCUGGICK-INIZCTEOSA-N 315.284 6.252 30 10 DKEE O/N=C1/CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 12961477 CGIUOCJZIYTDRG-HBTZSIKTSA-N 306.192 5.097 30 10 DKEE N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1Cl 37423846 LQBMYDXCDVIXLD-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE Cc1cc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)sc1C 87567367 UDYCSQTYTGBZAU-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccc(F)c(Br)c2)CC1 87940165 NTKAXXWGAICYQB-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CCCCCCCOc1cccc(CNC2CCCCC2)c1 100126836 PMRHBEQCLUWLPS-UHFFFAOYSA-N 303.490 5.458 30 10 DKEE CCCCCCC#C[C@@H]1c2ccccc2CCN1c1ccccc1 100292501 HBAUJJIZENJOSK-HSZRJFAPSA-N 317.476 5.764 30 10 DKEE CCCCCCCCCCCCC(=O)c1cccc(Cl)c1 109708534 BXBPKRBXRMFRCU-UHFFFAOYSA-N 308.893 6.834 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(C)c(Br)s1 126111183 ODCQIQPSQNJWIF-GFCCVEGCSA-N 318.324 5.569 30 10 DKEE CCCCCCC[C@@H](NC)c1sccc1Br 128384903 XRJCEGFQWPFNGV-GFCCVEGCSA-N 304.297 5.132 30 10 DKEE CCCCCCCCCOc1cccc(Cl)c1C(N)=S 129109599 MARLXSGODKARCB-UHFFFAOYSA-N 313.894 5.104 30 10 DKEE CCCCCCCCCCC[C@H](O)c1c(Cl)cnn1C 159421384 HCHIYTBXVZDMFN-HNNXBMFYSA-N 300.874 5.028 30 10 DKEE CCCCCCC[C@@H](Cc1sccc1Br)NC 163186776 OVPIZGMJCJUOIY-LBPRGKRZSA-N 318.324 5.002 30 10 DKEE Cc1ccc(Nc2cc(Br)cc(C#N)c2)cc1Cl 227604049 IPOGKZNEDLOYPK-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NC 234450237 ZJVHYRQDDNYFBF-CQSZACIVSA-N 300.273 5.260 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1csc(Cl)c1 380849842 BMFLOMQNZYRIOP-INIZCTEOSA-N 315.954 6.712 30 10 DKEE C=CCCCCCNc1ccc2ccccc2c1Br 396850041 KHLXVSWNPNTGAZ-UHFFFAOYSA-N 318.258 5.761 30 10 DKEE C=CCC[C@H](C)Nc1cc(C)cc(NC(=O)OC(C)(C)C)c1 687306382 LPPVVYJLRSLNQV-AWEZNQCLSA-N 304.434 5.109 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(C[C@@H](C)COCc2ccccc2)C1 719590153 BBKWNAWRJHLQGC-QWFCFKBJSA-N 302.458 5.015 30 10 DKEE CCCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 1868191821 AXCTWNMDBWFNPQ-RBUKOAKNSA-N 319.464 5.186 30 10 DKEE CC[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871420720 ATTJJVYLBAMQHN-MXDDHBLUSA-N 322.404 5.097 30 10 DKEE C=CC[C@H](C)OC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 1913341606 PBRNDUFPJRFXLH-BLLLJJGKSA-N 316.272 5.015 30 10 DKEE CCCCCCCCNC1(CCOCc2ccccc2)CC1 1928740322 DNOOYZSMIICFPD-UHFFFAOYSA-N 303.490 5.076 30 10 DKEE CCCCCCC[C@@H](N)c1scc(C)c1Br 1939865016 GAXYVHTULBHFMX-LLVKDONJSA-N 304.297 5.179 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@H]1CCCc2ccccc21 1990797888 YPNFWTOVCILAMZ-OAQYLSRUSA-N 305.465 5.185 30 10 DKEE CCCCCCCOCc1cc(F)ccc1Br 2025702959 PIAZRNHQOBZZPM-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE N#CC1(Sc2ccccc2Br)CC(CC2CC2)C1 2050057223 NAISBIJLCRQDSP-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cc(Cl)sc1Cl 2085845979 BIJOVAMRYHHKOA-AWEZNQCLSA-N 307.286 5.789 30 10 DKEE C=CCCCCCCNc1ccc(Br)c(C)c1C 2085855529 BNWAFSRLARCAAK-UHFFFAOYSA-N 310.279 5.614 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(C)c(Br)c1 2102112624 UEROKGQKKQPOCG-YOEHRIQHSA-N 324.306 5.401 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1ccc(SC(F)(F)F)cc1 2164141071 RGFVHUDIJLGODW-RISCZKNCSA-N 303.393 5.161 30 10 DKEE CCS[C@@H]1CC[C@H](N(C)CCCCCCCCCS)C1 2171100281 TVAZUFMYUPPQIT-DLBZAZTESA-N 317.608 5.253 30 10 DKEE C=C1C[C@@H]2CCC[C@H](C1)N2CCc1cc(Cl)cc(Cl)c1 2196074652 CXAOSIXQVKFCRN-CALCHBBNSA-N 310.268 5.109 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1c(Cl)cccc1Cl)C1CC1 2196858422 NMLMLCUIOARWCG-CZUORRHYSA-N 310.268 5.084 30 10 DKEE C=C(C)CN(CC)Cc1c(Br)sc2ccccc12 2217911267 JFGYPLADGKWFRW-UHFFFAOYSA-N 324.287 5.062 30 10 DKEE CCCC#C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2218443426 NJLRPIVHDRMLDF-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE C=CCCCC[C@@H](Cc1cccc(Cl)c1Cl)NCC 2227501723 DQROWYGPAGBODJ-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1ccc(Cl)cc1Cl 2231538869 RBLWHLGFGYBRPF-WBMJQRKESA-N 300.273 5.116 30 10 DKEE N#CC1(Sc2ccccc2Br)CCCCCCC1 2263166322 GOWBNXOPGXQSSW-UHFFFAOYSA-N 324.287 5.548 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Cl)c(F)cc1F 2287409725 YGKKBUZTDBFNBI-INIZCTEOSA-N 301.808 5.405 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1sccc1Cl 2295678972 LJZFMPQRHZTNMH-HOTGVXAUSA-N 317.926 5.293 30 10 DKEE C=CCCCCC[C@@H](NCC)c1nc(C(C)(F)F)cs1 2296194779 JNEUASDVKSZHAO-GFCCVEGCSA-N 302.434 5.042 30 10 DKEE CC(=CCC#Cc1cccc(Br)c1)CCCC(C)C 2338522458 IZKCTTMTYVBYRW-UHFFFAOYSA-N 319.286 5.963 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(OC)c(Cl)s1 2340276659 XCSPWSGZLKLXQU-LBPRGKRZSA-N 303.899 5.551 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1ncc(C(F)F)s1 2369609595 ASEKCMVUXSLQRP-LBPRGKRZSA-N 302.434 5.258 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Cl)cc1C(F)(F)F 2370537533 YUCPJMFBBBQFSW-KGLIPLIRSA-N 305.771 5.351 30 10 DKEE CCCCCCCC[C@@H](O)Cc1cc(F)c(Cl)cc1Cl 2377418610 XKOBPVGLIBRILW-CYBMUJFWSA-N 321.263 5.787 30 10 DKEE Cc1ccc(N/C(=C\C(=O)c2ccccc2)c2ccccc2)cc1 4406353 PMGFOBXTODBOKI-PGMHBOJBSA-N 313.400 5.331 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)cc1)N2 14458615 OUGFPSJRZJLGPU-JQVVWYNYSA-N 317.432 5.386 30 10 DKEE Cc1ccc2nc(-c3ccc(C(C)C)cc3)c([C@H](C)C#N)n2c1 31921354 ODJYELBYBNPKIG-OAHLLOKOSA-N 303.409 5.060 30 10 DKEE Cc1ccc(C#N)cc1NC(c1cccs1)c1cccs1 50429960 BRDVNGUVOVEMJS-UHFFFAOYSA-N 310.447 5.191 30 10 DKEE N#C[C@@H](CCCOc1cccc2ccccc12)c1ccccc1 57684551 IZBPGWAMQILUSS-LJQANCHMSA-N 301.389 5.306 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(Br)cc2F)C1 87972772 FQYILGBRIPDWSF-WBMJQRKESA-N 324.237 5.241 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(OC)c(Cl)c1 115654592 MRNAJBKPSFTPDC-QGZVFWFLSA-N 312.881 5.913 30 10 DKEE CCCCCCCCC(=O)c1cc(OC)c(OC)cc1Cl 115855289 QDPXIOFGRQSWHY-UHFFFAOYSA-N 312.837 5.291 30 10 DKEE Cc1ccc(CN(C)C/C=C\C#CC(C)(C)C)c2ccccc12 198866905 DRWRMSGOBQMKBI-POHAHGRESA-N 305.465 5.186 30 10 DKEE CCCCOc1ccc(/C=C2/Oc3cc(C)c(C)cc3C2=O)cc1 214005344 SUJPHNUIOQSJAY-DEDYPNTBSA-N 322.404 5.099 30 10 DKEE CCCCCCCNc1ccc(F)c(NC(=O)OC(C)(C)C)c1 227597183 UVOZUJRRUXQESA-UHFFFAOYSA-N 324.440 5.555 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1cc(Cl)sc1Cl 235230470 NNLIXGCFQILFKX-SECBINFHSA-N 311.237 5.408 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1Cl 235238208 OPBLYZOGHOSFTB-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#Cc1cc(CSc2ccc(Cl)c(Cl)c2)ccc1F 236151510 LJGOXEQHRCBUDZ-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE N#CC[C@H](Sc1cc(Cl)cc(Cl)c1)c1ccccc1 311934511 FBLHHZZFRWPPAC-HNNXBMFYSA-N 308.233 5.740 30 10 DKEE CC(C)C(C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)C 380375985 SHTGTFANTSQPIG-GFCCVEGCSA-N 312.240 5.098 30 10 DKEE C=CC[C@@H](CC)Nc1cc(Br)ccc1C(F)(F)F 393802017 NLUOKMKSHIIPSC-SNVBAGLBSA-N 322.168 5.235 30 10 DKEE CCCCCCCCC[C@H](O)c1cnn(Cc2ccccc2)c1 394456783 DSTGXYXJRJEHPU-FQEVSTJZSA-N 314.473 5.106 30 10 DKEE O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccccc1Cl 606208276 DDKMXQPQSLLNGV-VURMDHGXSA-N 311.595 5.543 30 10 DKEE CCCCCCCCCOc1cc(C)ccc1Br 699867603 XNAQXBFQTLQWJO-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE CCCCCCCN[C@H](C)c1cc(Br)cs1 703732889 FYWXVWCDBMKXHK-LLVKDONJSA-N 304.297 5.132 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)c2ccc(Br)cc2)C1 719362935 XZVODJXPEZFLOE-TWJWRFFLSA-N 306.247 5.129 30 10 DKEE COc1ccc(C=Nc2cc(Cl)c(Cl)cc2Cl)cc1 1084650441 NYSLEHQYVGGPOO-UHFFFAOYSA-N 314.599 5.406 30 10 DKEE C=CC[C@H](C)SCc1ccc(Cl)c(Br)c1F 1899414556 FLRPLITXWGUFCP-QMMMGPOBSA-N 323.658 5.439 30 10 DKEE CC(C)(C)N(Cc1ccccc1)Cc1ccc(C#N)cc1Cl 1931999227 WKIMDASEMRTGKI-UHFFFAOYSA-N 312.844 5.012 30 10 DKEE C=C(CC)CC[C@@H](NCCC)c1ccccc1Br 2050515866 RAFRAKXPEIHQQO-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE CSc1cc(C(F)(F)F)c(C(F)F)cc1C(F)(F)F 2060215929 LSCINMOGROMVGL-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(Cl)cc1C=O 2141924418 TZZKTUXDPLOGBC-UHFFFAOYSA-N 301.213 5.321 30 10 DKEE CCCC[C@](C)(C#N)[C@@H](O)c1cc(-c2cccs2)cs1 2164476133 VQRWTXZPTWXQRT-JKSUJKDBSA-N 305.468 5.230 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2ncc(Cl)cc2Cl)CC1 2181672868 IYEGKJVBFJIDML-NSHDSACASA-N 312.240 5.344 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1nc(Cl)cs1 2196947288 REASCQAORCZVJP-CQSZACIVSA-N 316.942 5.978 30 10 DKEE C=CCCCC[C@H](NC)c1cc(Cl)cc(C(F)(F)F)c1 2200836796 WALMIBJDXGOUFZ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCCCNc1cc(F)c(F)cc1Cl 2207437650 PHNGJTMYQFXCFL-UHFFFAOYSA-N 301.808 5.947 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccc(Cl)cc1Cl 2207440170 XHWZPXWTHHHUCZ-QGZVFWFLSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1scc(C)c1Cl 2227287694 QROFBZXFWRZNLS-CYBMUJFWSA-N 300.899 5.131 30 10 DKEE CCCCCCCCC[C@@H](O)c1nc(C(C)(F)F)cs1 2234786555 GUKUABXWGRDORT-GFCCVEGCSA-N 305.434 5.429 30 10 DKEE C=CCCC[C@H](NCC)c1sc(Cl)cc1Br 2244972181 QCEJRJJMZXTQMW-JTQLQIEISA-N 322.699 5.171 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@H](N)CC#CC1CCCCC1 2286475184 PDNKGLYJZNLXBD-QGZVFWFLSA-N 310.268 5.275 30 10 DKEE CCOc1ccc2ccccc2c1C=NNc1ccc(Cl)cc1 2322953155 RDFQMOAEHRXCCT-UHFFFAOYSA-N 324.811 5.338 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cccc(Br)c1C 2338738055 JMNIFFUTBKROQF-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(OC)c(Cl)s1 2340268050 OUHCTQZJZVEEGY-GFCCVEGCSA-N 301.883 5.327 30 10 DKEE C=CCC(C)(C)[C@H](Cc1c(Cl)cccc1Cl)NCC 2344377791 KCIDZPMEXGIKSS-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C#Cc1ccccc1N[C@H](C)c1c(Cl)ccc(F)c1Cl 2365502071 YPWCNJOVHQYDRJ-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(Cl)c(F)c1F 2370488110 SYBIBDLAAXWTOE-HOTGVXAUSA-N 301.808 5.261 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2377403201 MGHZMTCRBOPNNT-BZNIZROVSA-N 317.231 5.461 30 10 DKEE COc1ccccc1/C=N/c1cc(Cl)c(Cl)cc1Cl 584484 QBMBGASMAFGWEF-QGMBQPNBSA-N 314.599 5.406 30 10 DKEE O=C1/C(=C/c2cccs2)[C@H](c2ccccc2)c2cccc(F)c21 5279742 CRPNBNMNMPHDMA-FXFXYLOPSA-N 320.388 5.299 30 10 DKEE N#Cc1cnc2ccc(Oc3ccccc3Cl)cc2c1Cl 20552579 WCMPEQFPXNNZRW-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE C=C(C)Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21 40210842 ZBKKLLLBHYNYRD-UHFFFAOYSA-N 317.219 5.586 30 10 DKEE CC(C)(C)c1ccc(SCC2(CS)CCCCC2)cc1 94588866 IFYWYYHGHWEVPE-UHFFFAOYSA-N 308.556 5.957 30 10 DKEE CCCCCCCCCCCCCCCCN1CC[C@@H](CN)C1 100011582 CKKLKPLIRSJZSU-NRFANRHFSA-N 324.597 5.748 30 10 DKEE CCCCCCCCNCc1ccc(OCC(C)C)c(OC)c1 100048780 MIPZCEIOMLEHDS-UHFFFAOYSA-N 321.505 5.180 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2cc(Cl)ccc2Cl)cc1 103848515 LBUATYWOMRHGLB-HJWRWDBZSA-N 306.192 5.110 30 10 DKEE CCCCCCCCCOc1ccc(CCC#N)cc1OC 104742021 RDGFWVGJWXWXJB-UHFFFAOYSA-N 303.446 5.281 30 10 DKEE CCCCCCC(=O)/C=C\CCCCCCCCC(=O)OC 108723926 OHJIOGJOUIOUTD-SSZFMOIBSA-N 310.478 5.376 30 10 DKEE CCC(C)(C)C1CCC(C#N)(Nc2ccc(Cl)cc2)CC1 110028618 HAYYZIMGPFOQHY-UHFFFAOYSA-N 304.865 5.641 30 10 DKEE C[C@H](N[C@H](C)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 134655051 BFVHRRGFPKGVGX-WDEREUQCSA-N 324.371 5.050 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cccc(F)c1Cl 157865028 ASGXZCRZCAFNBP-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1ccc(Cl)s1 162300602 SNDLGNMWFMJGBJ-HNNXBMFYSA-N 315.954 6.583 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(Cl)ccc2Cl)C1 222244707 GNEPHALWVMFELB-BREBYQMCSA-N 300.254 5.414 30 10 DKEE CCCCCCCCNc1ccc(C#N)c(Br)c1 228192954 MBZZFNZXTIONQQ-UHFFFAOYSA-N 309.251 5.093 30 10 DKEE CCCCCCCCCCNc1cc(Cl)nc(Cl)n1 311680531 JBKIUTQCNDYWQS-UHFFFAOYSA-N 304.265 5.336 30 10 DKEE CCCCCCC[C@H](C)Nc1c(C)cccc1Br 690400258 VNKODSYZHLTISF-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](C)c1cc(Cl)cc(Cl)c1F 692298423 LWEPBAVLZMBPNJ-MNOVXSKESA-N 304.236 5.528 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2nc(C)oc2c1 1859671083 IFNBRDGQJPKDHZ-UHFFFAOYSA-N 316.445 5.007 30 10 DKEE N#CCSc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1860799538 PKFYNLQHBPRBBC-UHFFFAOYSA-N 308.431 5.093 30 10 DKEE C=CCCCCCCN(Cc1ccccc1)Cc1ccccc1 1879989351 CMHOVYPEOORRCC-UHFFFAOYSA-N 307.481 5.825 30 10 DKEE CCCCCCC[C@H](N)c1cc(C)sc1Br 1940027413 HMKNSYPHOPOTJO-LBPRGKRZSA-N 304.297 5.179 30 10 DKEE C=CCCCCCCNc1ccc(F)c(Br)c1 2026016089 ZRAJRRBXNYGFGE-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE C=CCCCCCCN(C)Cc1cc(Br)cs1 2026020419 ALACKFUMAOMHDP-UHFFFAOYSA-N 316.308 5.079 30 10 DKEE C[C@H]1CCC[C@@](C#N)(Cc2csc(-c3ccsc3)n2)C1 2144694582 KVTGKEFCEADJSS-LRDDRELGSA-N 302.468 5.134 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H](O)c1sccc1Cl 2148596458 ROKUJCXYYGGKPY-LSDHHAIUSA-N 317.926 5.293 30 10 DKEE C#CCC[C@@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2164104696 LFZUTSFNGIXETE-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CCCCCCCCCCC(N)(C(F)(F)F)C(F)(F)F 2183916995 UKQFIPXRLLXJRQ-UHFFFAOYSA-N 307.322 5.339 30 10 DKEE CC(C)(C)C#CCCNCc1sc2ccccc2c1Cl 2238718903 AXXZFPMVLDDCSI-UHFFFAOYSA-N 305.874 5.084 30 10 DKEE C=C(C)CCCCNc1cc(Br)c(F)cc1C 2250186623 CCGQFAJGZLPBPY-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE C=CCCC[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273125742 RZZMCFFZXODJHA-INIZCTEOSA-N 324.306 5.363 30 10 DKEE C=CCCCCCCCSC[C@@H](N)c1ccc(Cl)cc1 2287192859 NFELWPFYNOWMJE-QGZVFWFLSA-N 311.922 5.600 30 10 DKEE CCCCCCCC[C@@H](N)c1nc(C(F)(F)F)c(C)s1 2295501271 QHHNZXGZLJKNDR-LLVKDONJSA-N 308.413 5.221 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(C(F)(F)F)c(Br)c1 2320829151 BLJFYBQLPLZEHW-SECBINFHSA-N 322.168 5.235 30 10 DKEE CCSc1ccc(C(CC)=NOCc2ccccc2F)cc1 2330293220 GQSBCEBUMBKWMY-UHFFFAOYSA-N 317.429 5.269 30 10 DKEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cc(Cl)c(C)cc21 2362201990 VWURVZXRGJREBR-SMDDNHRTSA-N 306.862 5.204 30 10 DKEE Cc1c(C[C@]2(C=O)CCCC(C)(C)C2)ccc(Cl)c1Cl 2364265688 NLSVIRBJTDPOEG-QGZVFWFLSA-N 313.268 5.630 30 10 DKEE CCCCCCC[C@H](C)Nc1cc([N+](=O)[O-])c(F)cc1F 59460346 CPHHKAQEUOVEHU-NSHDSACASA-N 300.349 5.034 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2ccc(Cl)cc2Cl)cc1C 61681910 OYPXTWHRLGXPHC-HNNXBMFYSA-N 318.203 5.100 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 109901199 GVUHZOVDZAYVGR-LZLYRXPVSA-N 303.515 5.837 30 10 DKEE CCCCCCCCCCCC[C@@](C)(O)c1sccc1C 115653743 UQYLFYJNOOXFSC-LJQANCHMSA-N 310.547 6.575 30 10 DKEE Cc1cccc(Nc2cccc(Cl)c2C#N)c1Br 131517707 KGNBWYBEHXTXHB-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=C(CNc1cc(Cl)ccc1Br)c1ccccc1 134369694 HYMYTYKBGAPBPY-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE CCCCCCCC[C@H](NC)C1CCC(C(F)(F)F)CC1 140456050 FOHJFIBBAVMZLF-GPANFISMSA-N 307.444 5.694 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(OC(F)(F)F)cc1 158003859 QUYMGXASVOTWAC-HNNXBMFYSA-N 303.368 5.206 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCCC1)c1c(F)cccc1Cl 162025559 QHVZGYCANJCKGF-ZDUSSCGKSA-N 307.796 5.016 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(C)cc(Br)c1 233543209 QIUDXGUDULIQOS-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CC#CCC[C@H](NCCC)c1cccc(OCc2ccccc2)c1 379703429 DMEWHHNPEBENKZ-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1csc(Cl)c1 380944162 YTMRDDXVRNCUGM-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CC(C)(C)CC(C)(C)C1 698358553 KROZVTCZMLCYLC-UHFFFAOYSA-N 322.493 5.131 30 10 DKEE C#CCCCCCn1ccc2cc(OCc3ccccc3)ccc21 720860877 FQYRCUMXKOFUCK-UHFFFAOYSA-N 317.432 5.414 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1c(Cl)cccc1Cl 821989397 XQZDRJMXZREOOJ-ZENOOKHLSA-N 312.284 5.779 30 10 DKEE Cc1ccc(N=Cc2ccc(Sc3ccccc3)o2)cc1C 1084530730 HXRWZSOVISIDJC-UHFFFAOYSA-N 307.418 5.798 30 10 DKEE FC(F)(F)c1ccc(Cl)c(C#Cc2ccc(Cl)cc2)c1 1614826969 WTXLCGQOMMIZQT-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCN(C)c1ccc(C#N)cc1Br 1887068253 NWIACOPNFCLKFU-UHFFFAOYSA-N 323.278 5.117 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H](C)CCCCN[C@@H](C)CC 1901765743 WBOJKSYTSUYPDX-PMACEKPBSA-N 316.533 5.012 30 10 DKEE C=C([C@@H](NCCC)c1ccc2sccc2c1)[Si](C)(C)C 1923003487 BZHSWXOVENZMOR-QGZVFWFLSA-N 303.547 5.376 30 10 DKEE C=CC1(C[C@H](O)c2cscc2OCc2ccccc2)CCC1 1960780575 NOMJNQDCKSSERJ-KRWDZBQOSA-N 314.450 5.107 30 10 DKEE C=C(C)CN(Cc1ccccc1)CC12CC3CC(CC(C3)C1)C2 1990798754 OBHNYHFNUOMFSD-UHFFFAOYSA-N 309.497 5.281 30 10 DKEE C=CCCCCCC[C@H](CCOCc1ccccc1)NCCC 1995169760 URRVJAAVQVCUIF-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccsc1Br 1996479365 WHZWRSBHCUYRGB-YPMHNXCESA-N 316.308 5.154 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1ccccc1Br 2085842127 NSARWAATCWWUCX-MRXNPFEDSA-N 310.279 5.150 30 10 DKEE C=CCCCCCC[S@](=N)(=O)c1ccc(F)c(Cl)c1 2141922645 IUBZOTPHVINZCO-IBGZPJMESA-N 303.830 5.021 30 10 DKEE CC1(C)CCC(C#N)(Cc2cscc2C(F)(F)F)CC1 2157159573 IHEUTSIBOCNZDB-UHFFFAOYSA-N 301.377 5.420 30 10 DKEE C=C(CC)C[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164167552 DEJNLQXFKSGXRG-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(-c2cccs2)cs1 2164189650 HBZFBDVXJUTJQY-DYVFJYSZSA-N 305.512 5.730 30 10 DKEE C#CCCCC[C@H](N)c1ccc(-c2ccccc2Cl)s1 2173491371 QZSJFDSLXBSDHN-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE CC(C)c1ccc(Sc2cc(Cl)c(F)cc2C#N)cc1 2184418221 DBCZRUAAEQPQDK-UHFFFAOYSA-N 305.805 5.625 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(-c2cccs2)s1 2206898114 PXKJKXCLSLREQG-CQSZACIVSA-N 306.496 6.037 30 10 DKEE C=CCCCCCCCCC[C@]1(O)CCCC2(CC1)OCCO2 2207394724 AKGHFGDLDVOLRZ-IBGZPJMESA-N 324.505 5.122 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@H](O)c1csc(Cl)c1 2207430848 ZALJEDABWDRTRO-GOEBONIOSA-N 315.910 5.069 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1csc(Cl)c1 2207443848 DUDAQSSKJFLGAG-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE CCCCCC#CC[C@@H](Cc1cc(Cl)ccc1Cl)NC 2234035814 NHTYVZRDFVKDDM-INIZCTEOSA-N 312.284 5.098 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 2234058508 RXQIEYADUONUMW-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1ccc(Br)o1 2259232001 TUAZMHITTFJZCO-ZDUSSCGKSA-N 314.267 5.219 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc(Cl)sc1C 2277245803 OJNWVCVJNQVNEH-CQSZACIVSA-N 303.899 5.087 30 10 DKEE Cc1cc(NCc2cc(Cl)ccc2Cl)cc(C)c1C#N 2280553951 AZJATRQOGFYFEF-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=C(C)CCCCC(=O)c1cc(C(F)(F)F)ccc1Cl 2287465678 BAYPFJNNAQLZGM-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE CCCCCCC[C@H](OCC(=O)O)c1cc(C)c(Cl)s1 2291935303 YQVFMUSNNOGYJW-LBPRGKRZSA-N 318.866 5.213 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc2cscc2s1 2294365468 ASHZAMWGAJVDRF-AWEZNQCLSA-N 311.516 5.340 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(Cl)s1 2313641986 OACBOBATGBHTQN-NEPJUHHUSA-N 303.924 5.140 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cc(C)c(Br)c(C)c1 2321126383 ADLXXJPZLSUIPA-HOTGVXAUSA-N 310.279 5.058 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccc(CC)cc2)cc1Cl 2323464829 ONJGOYKJKIMHDO-UHFFFAOYSA-N 314.812 5.197 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2370518720 NEQSZRLGPXLHFH-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 14551514 ZJWPSJXKQLJCAT-JQVVWYNYSA-N 317.432 5.468 30 10 DKEE CCCCCCCC(=O)[C@H](C#N)c1c(Cl)cccc1Cl 59211525 RRCWLJIECXAJBV-LBPRGKRZSA-N 312.240 5.530 30 10 DKEE N#Cc1cccc(-c2csc(-c3c(F)cccc3Cl)n2)c1 62938254 MEOXRJWFZFDIIM-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE Cc1ccc(Oc2cccc(Cl)c2C#N)c(Br)c1 70139522 HDOWPALRTPJUCK-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCC[C@H](Cc1c(Cl)cccc1Cl)NCCC 71276976 SGZCIFXBUIHRTA-CYBMUJFWSA-N 300.273 5.260 30 10 DKEE CCN(CC)/C(=N/c1ccccc1)Nc1c(C)cc(C)cc1C 100487655 ISSYPRYSBJAYPG-UHFFFAOYSA-N 309.457 5.053 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc2nc(SC)sc2c1 109790545 OUNDLWGOBBKDDE-CYBMUJFWSA-N 322.543 6.179 30 10 DKEE CCCCCCC[C@@](C)(CN)N(Cc1cccs1)C(C)C 110020783 YJNNQYCPJWUXPE-SFHVURJKSA-N 310.551 5.036 30 10 DKEE CCCCCCCCCCN(c1ccccc1)c1ccccc1 113240117 CDYHCLPQXKUDMV-UHFFFAOYSA-N 309.497 6.965 30 10 DKEE CCCCCCCCCC[C@@H](CSc1ccccc1)NN 126657010 NZULIRZMYFDXTL-KRWDZBQOSA-N 308.535 5.141 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 226907196 IDVMBNGZFZMBSR-LVCYWYKZSA-N 321.395 5.217 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(Cl)sc1Cl 232951138 ZXRVJKUAKKQTKG-CYBMUJFWSA-N 323.329 6.619 30 10 DKEE CCC1CCC(C=O)([C@@H](C)c2ccc(Br)cc2)CC1 317870791 KYBKQZBOWPTKCG-CBCUQQMYSA-N 323.274 5.338 30 10 DKEE CCCCCCCC(=O)c1cccc(Cl)c1C(F)(F)F 379085849 IVPMSAZPCWMKKJ-UHFFFAOYSA-N 306.755 5.902 30 10 DKEE CCc1csc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)n1 382970393 RDNAMAJJHHYLRC-SGMGOOAPSA-N 308.516 5.152 30 10 DKEE C=CCC1(Nc2nc(Cl)c(Cl)cc2Cl)CCCC1 690710539 FLEGQJRTSMDCGJ-UHFFFAOYSA-N 305.636 5.343 30 10 DKEE CCCCCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 697374168 YZVQJKHZKLSUOE-KRWDZBQOSA-N 321.461 5.428 30 10 DKEE CC(C)CC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698384709 WKQNAQXEDLYJEQ-IBGZPJMESA-N 322.493 5.275 30 10 DKEE C[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698890409 INBINDMNEREHNQ-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cscc1Cl 710393815 BJSJONQYNHCDDR-INIZCTEOSA-N 301.927 6.193 30 10 DKEE N#CC1(Cc2cccc(Cl)c2Br)CCCCC1 719520243 PVARFXVHZKUSHR-UHFFFAOYSA-N 312.638 5.119 30 10 DKEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 1868191819 AXCTWNMDBWFNPQ-MOPGFXCFSA-N 319.464 5.186 30 10 DKEE CCCCCCCC[C@H](CN)N(Cc1ccccc1)C1CCC1 1995333830 FCRYWYYOBYUUPK-OAQYLSRUSA-N 316.533 5.119 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cscc1Br 1996471870 WYYGACIYHYIFSY-SMDDNHRTSA-N 316.308 5.154 30 10 DKEE CC1(C)CC[C@H]([C@H](C#N)Sc2ccc(Br)cc2)C1 2037682755 ODJHECLUEPYHRB-FZMZJTMJSA-N 324.287 5.260 30 10 DKEE CCCCCCCCCC(=O)c1snc(Cl)c1Cl 2048315011 DOPWOKHUDSHALO-UHFFFAOYSA-N 308.274 5.773 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2snc(Cl)c2Cl)C1 2049511358 LHGDJKKLFJOYCW-ZDUSSCGKSA-N 303.258 5.103 30 10 DKEE C=CCC[C@H](C)N[C@@H](CCC)c1ccc(Oc2ccccc2)cc1 2087918897 RUAVHBUMYSOBCN-AVRDEDQJSA-N 323.480 6.264 30 10 DKEE C=C(CNc1ccc(CC)cc1Br)c1ccccc1 2095384618 WVGYZPUCEOICNB-UHFFFAOYSA-N 316.242 5.137 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(C)cc1Br 2123080868 QSKASHVGNNRGHE-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE N#C[C@H](Sc1ccc(Cl)cc1)[C@H]1CCC2(CCCC2)C1 2155224878 QSQYKQLASWHVTF-BBRMVZONSA-N 305.874 5.685 30 10 DKEE CCCCCCCCCC[C@H](N)c1csc(C(F)F)c1 2164492414 LESKTSMOAWOITH-AWEZNQCLSA-N 303.462 6.216 30 10 DKEE C[C@@H](N(C)CCCCCCCCCS)[C@]1(C)CC1(F)F 2172726007 SZGVSKUTMLIDCE-CABCVRRESA-N 307.494 5.013 30 10 DKEE CC#CCCCC[C@H](Cc1c(Cl)cccc1Cl)NCC 2196170075 RREWWAGQBDWZFQ-CQSZACIVSA-N 312.284 5.098 30 10 DKEE C#CC[C@H](C)C[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2196718512 HLMWDOWGQDREOJ-WFASDCNBSA-N 304.842 5.151 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1Cl 2227301137 HONOHIHYYKRIKO-HNNXBMFYSA-N 323.691 6.215 30 10 DKEE C=C([C@H](NCCC)c1csc(Cl)c1OC)C(C)(C)C 2268920464 AKTAOLHOIKRLCL-LBPRGKRZSA-N 301.883 5.053 30 10 DKEE CCCCCCCC[C@@](C)(N)c1sc(Cl)cc1OC 2278290092 JJFDCAFQNXVTHU-OAHLLOKOSA-N 303.899 5.335 30 10 DKEE CCCCCCC[C@H](OCCC(=O)O)c1csc(Cl)c1 2290877214 PRXRLGNGHYFRMV-ZDUSSCGKSA-N 318.866 5.294 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c(C)c1 2294300011 JZLBVONTDHQZHU-UHFFFAOYSA-N 305.204 5.506 30 10 DKEE CC(C)C[C@@H](CS)COCc1cc(Cl)cc(Cl)c1 2328523594 PSSQYEBDDODUMR-GFCCVEGCSA-N 307.286 5.102 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1cc(Cl)ccc1Cl)NC 2344397305 RNIGZQWRCUWKCQ-JKSUJKDBSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCN(C)Cc1cc(Cl)c(O)c(Cl)c1 2368688895 VKAMXNYVVQJLQD-UHFFFAOYSA-N 316.272 5.267 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2370483007 QKSHIGZLRIUWKT-IAGOWNOFSA-N 314.300 5.506 30 10 DKEE CC[C@@H](C)Oc1ccccc1-c1cc(C#N)c(C(F)(F)F)o1 77086181 KWNOWAKDQDLVNM-SNVBAGLBSA-N 309.287 5.014 30 10 DKEE CC(C)c1ccc(C(=O)/C=C\Nc2cccc(Cl)c2F)cc1 103029953 LOZGEZBLKQANNI-KHPPLWFESA-N 317.791 5.411 30 10 DKEE CCCCCCCO[C@H](CNC1CC1)c1ccccc1Cl 110067765 CEQHJEKSFGAABF-GOSISDBHSA-N 309.881 5.120 30 10 DKEE CCCCCCCCCCCCNc1ccc(Cl)c(F)c1 110165851 DTXFJNJAWWPFOZ-UHFFFAOYSA-N 313.888 6.812 30 10 DKEE CCCCCCCCCSc1ccc([C@H](C)NCC)cc1 114530034 COVXIECWFXRVIO-KRWDZBQOSA-N 307.547 6.200 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Br)sc1C 115220740 XCPVJXCIMOYUAV-ZDUSSCGKSA-N 318.324 5.569 30 10 DKEE CCCCCCCCCC(=O)Cc1cccc(Cl)c1Cl 228974115 ZETPPYKTHDWDCG-UHFFFAOYSA-N 315.284 6.246 30 10 DKEE CCCCCCCC[C@H](O)Cc1cccc(Cl)c1Cl 229001136 FVKYUDGHLJISBT-AWEZNQCLSA-N 303.273 5.647 30 10 DKEE Cc1cc(Br)cc(Nc2ccc(C#N)c(Cl)c2)c1 232070102 HMNYJHLYUAQTCS-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCC[C@H](O)c1ccsc1Cl 308361911 XPCZBPZLNZKKGV-HNNXBMFYSA-N 302.911 6.356 30 10 DKEE CCCCCCCCCCCC[C@H](CCCSC)NC 401472104 IOWNEMIUURRFDC-GOSISDBHSA-N 301.584 6.029 30 10 DKEE C=CCCSCCNCc1c(Cl)ccc(Cl)c1Cl 710201361 XEYOMSMAXVVWFD-UHFFFAOYSA-N 324.704 5.046 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1cscc1Cl 710473249 KUVRIAZSBDKMRF-QGZVFWFLSA-N 315.954 6.583 30 10 DKEE Fc1c(C(F)(F)F)sc2cccc(SC(F)(F)F)c12 725304998 IIIHFKWXUKZYOY-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CC/C(=N\OCc1cccc(Cl)c1)c1ccc(C)cc1C 821219994 VODRVZBMPIRVEF-CZIZESTLSA-N 301.817 5.288 30 10 DKEE C=CCN(CC=C)/N=N/c1ccc(Cl)c(C(F)(F)F)c1 1860481693 OBFZGAAXRUPCPY-VHEBQXMUSA-N 303.715 5.032 30 10 DKEE CCCCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1920037458 CEGIGZIAQAUOET-GFCCVEGCSA-N 309.664 6.041 30 10 DKEE CCCCCCCC[C@@]1(N)CCc2cc(Br)ccc21 1920443787 NTHVSFJBSWDHTH-QGZVFWFLSA-N 324.306 5.300 30 10 DKEE C=CCCCCCCN[C@H]1CCCC[C@@H]1OCc1ccccc1 1977461070 JWBKZUMRLDXGKK-SFTDATJTSA-N 315.501 5.241 30 10 DKEE C=CCCCC[C@H](N)c1cc(C)ccc1NC(=O)OC(C)(C)C 1984512859 YANQUAVNNVCYSU-INIZCTEOSA-N 318.461 5.088 30 10 DKEE N#CC1(CNc2ccc(OCc3ccccc3)cc2)CCCCC1 2001539750 FWBIQGJRCYXJGA-UHFFFAOYSA-N 320.436 5.152 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cc(Br)cs2)CC1 2010783770 VUNSNMRSRVBRNW-SNVBAGLBSA-N 313.260 5.076 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccccc1Br 2050515917 ROFIFOFIXRIORP-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1cc(Cl)sc1Cl 2074834589 FCQOOOPWRXTAEO-JTQLQIEISA-N 306.302 5.178 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1ccc(Cl)s1 2090891841 KLNJCTGJRBWLMZ-OAHLLOKOSA-N 302.867 5.145 30 10 DKEE Cc1cc(C#N)c(Sc2ccc(Cl)c(Cl)c2)nc1C 2099252578 GMKPDFGPNYMPNS-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE C=CC1(C[C@@](C)(N)c2cc(Cl)cc(Cl)c2F)CCC1 2111719417 NSHRSOQCIKDIEJ-CQSZACIVSA-N 302.220 5.053 30 10 DKEE CCCCCCCCCCCCCc1nc(Cl)ns1 2121359139 SUGZKPDSIZAZDX-UHFFFAOYSA-N 302.915 6.045 30 10 DKEE CC(C)Sc1ccccc1Nc1cccc(Cl)c1C#N 2158457479 NLKVGCOXIDPVEZ-UHFFFAOYSA-N 302.830 5.456 30 10 DKEE CCCCCCCC[C@H](N)c1cc(-c2cccs2)cs1 2164038018 ALMSIWLPPQRZEZ-HNNXBMFYSA-N 307.528 6.227 30 10 DKEE C=CCCCCC[C@H](NCCC)c1c(Cl)cncc1Cl 2164227496 PUVLTNPCKPMWDB-HNNXBMFYSA-N 315.288 5.566 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)Cc2c(Cl)cccc2Cl)CC1 2181669515 OWXFDPHFFMUEBV-GFCCVEGCSA-N 311.252 5.488 30 10 DKEE C=CCCCC[C@H](Cc1cccc(Cl)c1Cl)NCC 2227501726 DQROWYGPAGBODJ-CQSZACIVSA-N 300.273 5.260 30 10 DKEE CCCCCCCC[C@H](NN)c1ccc(F)c(C)c1Cl 2235594258 LXZBMKZUVUHQND-HNNXBMFYSA-N 300.849 5.043 30 10 DKEE C=CCCC[C@@H](O)c1c(Cl)cc(Br)cc1Cl 2243526626 WNIXPRLRRNMMQH-LLVKDONJSA-N 324.045 5.146 30 10 DKEE CCC[C@@H](CS)CSc1ccc(Br)cc1C 2243751119 QVMFIXSTPWATNN-NSHDSACASA-N 319.333 5.196 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(Cl)cc(Br)c1 2250164789 KYLWKWBZDDDTMO-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cccc(Cl)c1Cl 2284097067 WYJSFOSAGZRUNM-HNNXBMFYSA-N 310.268 5.250 30 10 DKEE CCCN[C@H](CC=CC#CC(C)(C)C)c1csc(Cl)c1 2284103722 UFPPBAGLAQVGCB-OAHLLOKOSA-N 309.906 5.438 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc(C(F)F)cs1 2294330896 OCFFBDAHBCZKAL-ZDUSSCGKSA-N 305.434 5.063 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1ccc(Cl)c(Cl)c1)NC 2344394224 AYCGCEFPUOQMTJ-HOTGVXAUSA-N 300.273 5.116 30 10 DKEE CC(C)(C)[C@](C)(CS)CSCCCCCCC1CC1 2352100835 UWAXBLMDSAWIOJ-QGZVFWFLSA-N 302.593 6.062 30 10 DKEE C=CCC(CC=C)N[C@@H](c1ccco1)c1ccc(Cl)s1 2360325424 XZLKEXFQNMRPQH-INIZCTEOSA-N 307.846 5.194 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1ccc(Cl)c(Cl)c1C 2364013659 GBFVZGMYEBJGKX-QGZVFWFLSA-N 317.300 5.956 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1ccc(C(F)(F)F)s1 2364090516 WQRKZBJWSIVVDE-AWEZNQCLSA-N 303.393 5.186 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1ccc(Cl)c(Cl)c1C 2364222219 DSRZNMHALZJDEC-PXAZEXFGSA-N 314.300 5.425 30 10 DKEE N#Cc1c(Cl)cccc1Sc1ccc(Br)cc1 70138408 AFIWJYPXZFBNFO-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE Cc1ccsc1[C@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 91885106 WKNSLOYDXYPONO-GMXGEUMGSA-N 305.487 5.010 30 10 DKEE CCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1cccc(CC)c1 100964065 CCZINWJAVMHNRR-IEBWSBKVSA-N 301.474 5.574 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(C(F)(F)F)ccc1Cl 110153819 FPNWJZHDIZAIOP-GWCFXTLKSA-N 316.754 5.243 30 10 DKEE CCCCCCCCCCCC[C@H](NC)c1csc(C)n1 143485675 KJIXLGDJUNQSIT-KRWDZBQOSA-N 310.551 6.023 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(F)ccc1C(F)(F)F 164036437 AWVLNJLXTNZAKU-OAHLLOKOSA-N 305.359 5.466 30 10 DKEE CCCCCCCCCC[C@H](O)[C@H]1SCCS[C@@H]1CC 228097901 AWNRFSGRGGEGPO-GVDBMIGSSA-N 318.592 5.505 30 10 DKEE C=CCSc1ccccc1NCc1csc(C(C)(C)C)n1 229245525 ZLOASKGFTOWONB-UHFFFAOYSA-N 318.511 5.331 30 10 DKEE CCCC[C@H](CC)C[C@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 304321641 CENSNXJWGKUFMR-LPHOPBHVSA-N 322.493 5.134 30 10 DKEE C=CCCCCCCN[C@@H](C)c1ccc(Cl)cc1Cl 382229895 UMWZSUSHYZGCQO-ZDUSSCGKSA-N 300.273 5.781 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404319266 KOOMGXYSUINLQR-NOZJJQNGSA-N 317.647 5.531 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1cccc2ccccc12 710796914 RPRFYKNSIAGOOU-GOSISDBHSA-N 324.424 5.050 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Br)ccc1C 715816844 ZZHYJBJSUCZHCS-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCCCCC(=O)[C@@H](C)OCc1ccccc1 1995327355 HFZUVUSVEKAWIT-LJQANCHMSA-N 316.485 5.858 30 10 DKEE C=CCCCCCCSc1ccc(N)cc1Br 2026018936 GHMGUJCNKBUWJV-UHFFFAOYSA-N 314.292 5.260 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCC[C@H](C)C1 2027195714 SSKOXANESDSTTD-BLLLJJGKSA-N 306.247 5.020 30 10 DKEE CC(C)CC[C@H](C)[C@H](C#N)c1ccc(Br)cc1F 2085292031 TXHVJHHXQBDMPP-FZMZJTMJSA-N 312.226 5.268 30 10 DKEE CC(C)C(C(C)C)[C@@H](C)Nc1ccc(C#N)c(Br)c1 2087326554 DNIPRVWEFFGMHW-GFCCVEGCSA-N 323.278 5.049 30 10 DKEE CCCC[C@](C#N)(CC)[C@@](C)(O)c1cc(Cl)sc1Cl 2108209391 RXSIJVOACVYLLF-KBPBESRZSA-N 320.285 5.373 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(F)c(Cl)cc1Cl 2138944535 FLAJWTTXWNTWGH-TVQRCGJNSA-N 301.192 5.017 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cc(Cl)sc1C 2164494551 WJHQTBGDILHFHI-HNNXBMFYSA-N 316.942 5.745 30 10 DKEE CCCCCCCCC[C@H](N)[C@H](O)c1cc(C)c(Cl)s1 2165433935 CTFJMUJFKGUMGB-ZFWWWQNUSA-N 317.926 5.211 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cccc(Cl)c2Cl)CC1 2181666781 CBMJPAPFPKKOMJ-LBPRGKRZSA-N 311.252 5.949 30 10 DKEE CCCC(CS)(CCC)COc1cc(C)c(Cl)cc1C 2193334502 ZEBKMRMZCHZMMU-UHFFFAOYSA-N 314.922 5.852 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(-c2cccs2)s1 2205859189 KFWJYYWEDOWXNP-CQSZACIVSA-N 308.512 6.261 30 10 DKEE C=CCCCCCCCC[C@H](O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 2207402285 BCKRQOFOULAPHV-YVSFHVDLSA-N 316.576 5.280 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(C)cc(Br)c1 2227276867 UVTHMXAXVCFNJD-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE CC(C)(C)C#C[C@H](N)c1ccc(-c2ccccc2Cl)s1 2233783271 UJIDZAXPURHTPS-AWEZNQCLSA-N 303.858 5.118 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(C(F)(F)F)ns1 2235521542 KHEKGFIBFBXJJK-LLVKDONJSA-N 306.397 5.078 30 10 DKEE C=C(C)CCOc1c(Cl)cc(Cl)cc1CN[C@@H](C)CC 2240230682 QLTLPLMVSLNYLR-LBPRGKRZSA-N 316.272 5.227 30 10 DKEE CC#CCCC[C@H](NC)c1cc(Br)cc(C(C)C)c1 2265944367 IPCDJLOBBSEZQY-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE C=C(C)CCCC[C@@](N)(CC)c1ccc(Cl)c(Cl)c1 2271776524 IPVDXJXTJDOGSR-INIZCTEOSA-N 300.273 5.694 30 10 DKEE C=C1CCC(C[C@@H](N)c2sc(C(F)(F)F)cc2C)CC1 2294983899 KOTINVGPCBCDSY-GFCCVEGCSA-N 303.393 5.212 30 10 DKEE C#CCCCCCCC(=O)N(Cc1ccccc1)c1ccccc1 2307441460 LUXBRALNGXJQNC-UHFFFAOYSA-N 319.448 5.194 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1ccccc1Cl 2322432427 DRTBFHJCXOFROV-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE CC(=NOCc1ccccc1)c1ccc(-c2ccccc2)cc1 2330458296 LZCHWZLYLNRHBO-UHFFFAOYSA-N 301.389 5.294 30 10 DKEE C=CCC[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2347980377 IVYNSFDWERPLRY-OAHLLOKOSA-N 324.306 5.300 30 10 DKEE CC(C)(C)c1ccc(SC[C@]2(CS)CC2(F)F)cc1 2351843658 BNQXDIUAHRFGPF-CQSZACIVSA-N 302.455 5.031 30 10 DKEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cc(Cl)c(F)cc21 2362211538 MILXAHSEOFZKEB-TVQRCGJNSA-N 310.825 5.035 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2364088612 FQWWAFYSLGJJKG-KRWDZBQOSA-N 312.284 5.803 30 10 DKEE Cc1cc(OC(C)C)ccc1C(=O)/C=C/c1c[nH]c2ccccc12 83193026 BFJJEOIJSWRAKW-DHZHZOJOSA-N 319.404 5.160 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)c(Cl)c2)C1 88304063 OZFZBSLMUOTWJS-JRPNMDOOSA-N 314.281 5.804 30 10 DKEE CC(C)[C@@H](CS)COc1cc(Cl)c(Cl)cc1Cl 94583556 OOBHHEXBOXLDES-MRVPVSSYSA-N 313.677 5.228 30 10 DKEE CCCCCCC[C@H](Cc1ccc(C(F)(F)F)cc1)NC 113083471 WKCSSCBSAZQLKM-MRXNPFEDSA-N 301.396 5.196 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1c(Cl)cc(F)cc1Cl 123321423 RNKQBRGYWUKVMK-RNCFNFMXSA-N 301.192 5.017 30 10 DKEE CSc1cccc(Sc2ccc3ccccc3c2)c1C#N 136992751 WDCYBUBBXBIGDG-UHFFFAOYSA-N 307.443 5.585 30 10 DKEE CCCCCCCCSc1ccc(S)c2ncccc12 195991920 SVBMPTWORCXXGS-UHFFFAOYSA-N 305.512 5.976 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(Br)ccc1C 229753186 KHDKYDWWWNEHLY-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCC[C@H](C(=O)O)c1cc(Cl)cc(Cl)c1N 232942682 ZYOWUJPQFLWOQL-NSHDSACASA-N 318.244 5.104 30 10 DKEE Cc1ccc(CC2(C=O)CCC(C)(C)CC2)cc1Br 317260601 QFIVPFVNIBSDJQ-UHFFFAOYSA-N 323.274 5.086 30 10 DKEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(F)c1 698981822 TWCKPDHFFNIHCW-SFHVURJKSA-N 320.408 5.040 30 10 DKEE CC(C)(C)C1CCC(=NOCc2ccc(Cl)cc2F)CC1 1860465080 JRZUPUBNTAWKNE-UHFFFAOYSA-N 311.828 5.588 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(Cl)nc1Cl 1896213308 KNGQFRWZTKRUHT-UHFFFAOYSA-N 303.233 5.078 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NC)c1ccc(C(C)(C)C)cc1 1922092978 YDWNAJXBAMHKPH-OAQYLSRUSA-N 323.480 5.018 30 10 DKEE C=C([C@@H](NCC)c1cccc(Cl)c1Cl)[Si](C)(C)C 1922866673 APWCVKGZWONADK-CQSZACIVSA-N 302.321 5.078 30 10 DKEE C[C@@H](N(CCCC(C)(C)C#N)Cc1ccccc1)C(C)(C)C 1931997324 WHDMWFIYPWCKNM-QGZVFWFLSA-N 300.490 5.253 30 10 DKEE C#C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1cccs1 1990754681 GEGJOFUAPOIBGP-OAQYLSRUSA-N 317.457 5.125 30 10 DKEE C=C1CC(C[C@H](NCC)c2ccccc2OCc2ccccc2)C1 2011092200 UWGLZGFLNXCYFR-NRFANRHFSA-N 321.464 5.273 30 10 DKEE C=C[C@H](C)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2116658760 RZNAQEUAKIQLJN-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H](O)c1ccc(Cl)s1 2148582292 KJZJJIUHAQBWNU-XJKSGUPXSA-N 317.926 5.164 30 10 DKEE C[C@@](N)(CC#CC1CCCCC1)c1cc(Cl)ccc1Cl 2154708607 LFJVZSHKZKGPIC-QGZVFWFLSA-N 310.268 5.141 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2c(Cl)cccc2Cl)CC1 2157102556 ZTSGRTYDRQXVMV-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1cccc(Cl)c1Cl 2197140670 WTSIBORAHUJOKJ-QGZVFWFLSA-N 306.236 5.357 30 10 DKEE CCCCC#CC[C@@H](NC)c1ccc(-c2cccs2)s1 2205875868 BHZLIWJZBXSTLI-CQSZACIVSA-N 303.496 5.321 30 10 DKEE CCCCCCCC[C@H](O)[C@H](NCC)c1ccsc1Cl 2207451897 DJRKYIMJQRLQNO-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE C/C(=C\Br)CC1(C=O)CCC(C(C)(C)C)CC1 2214048072 DLOLDOUFTQIWED-ZRDIBKRKSA-N 301.268 5.097 30 10 DKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)c1cscc1Cl 2239461743 GPRLJLJXIKEHDO-MRXNPFEDSA-N 324.276 5.147 30 10 DKEE N#Cc1sccc1CNc1cc(Cl)c(Cl)cc1Cl 2263178561 XCYPDFUSOPTPCV-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(Cl)c(OC)cc1Cl 2281527920 SMNCGNBWVBMWNL-OAHLLOKOSA-N 316.272 5.399 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cccc(OCc2ccccc2)c1 2304041778 QGPCLQGYENINPJ-FGZHOGPDSA-N 323.480 5.519 30 10 DKEE Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3ccc(F)cc3)o1)O2 2314519536 RXKGDEYEFGYMPO-UHFFFAOYSA-N 320.319 5.010 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(C)cc(Br)c1F 2321174509 MUKQIHAEWYKHKG-OAHLLOKOSA-N 313.210 5.072 30 10 DKEE C=CCC(CC=C)Nc1ccc2cc(Br)ccc2c1 2338659282 DUWNPHUJOIKQMU-UHFFFAOYSA-N 316.242 5.535 30 10 DKEE C=C1[C@H](O)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1/C=C/c1ccoc1 15167719 RHCBUXSXDFNUAG-GDNQYQIISA-N 300.442 5.062 30 10 DKEE biogenic C[C@H](Nc1ccc(C#N)cc1)c1c(Cl)ccc(F)c1Cl 35790390 LEOARHWQOVBTSY-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCOc1ccccc1CNc1cccc(Cl)c1Cl 37243440 OIOVWFNEIQEGDM-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE CCCCCCCCN[C@H](C)c1cccc(Br)c1 59254786 VUMGXXHBHLMGIF-CQSZACIVSA-N 312.295 5.460 30 10 DKEE C=CCc1cc(C=O)cc(C(C)C)c1OCCCCCCC 100132564 DANHFVJVUASPOV-UHFFFAOYSA-N 302.458 5.700 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2cc(Cl)cc(Cl)c2)cc1 104275441 XQUDUBCPDOOWCC-SREVYHEPSA-N 306.192 5.110 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2cccc(Br)c2)C1 110355055 QCHDAEOXCVBLLB-YWPYICTPSA-N 324.287 5.260 30 10 DKEE N#Cc1ccc(Cl)c(NCc2cc(Cl)cc(Cl)c2)c1 125719128 RWSXXBGXZFMELR-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=CCSc1ccccc1N[C@H](C)CCCC(F)(F)F 163357223 XFSDHNQJDHEBAK-GFCCVEGCSA-N 303.393 5.498 30 10 DKEE CCCCCCCC(=O)Cc1ccc(Br)cc1F 165021748 VSZDMZQHWULTCF-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE CCCCCCCCOc1nc(NCC)c(Cl)cc1Cl 226625192 FAIIFXVLOSYCBZ-UHFFFAOYSA-N 319.276 5.560 30 10 DKEE CCCCCCCCCC[C@H](O)c1occc1Br 232921294 OBIBPRZFWQEVHM-AWEZNQCLSA-N 317.267 5.606 30 10 DKEE CCCCCCC[C@H](N)c1cccc(OCc2ccccc2)c1 303759874 CFQFWDUXGBCFOT-NRFANRHFSA-N 311.469 5.626 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2ccc(Br)o2)CC1 378919971 ORUMRGPGCGCCMP-UHFFFAOYSA-N 324.262 5.331 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1sccc1Cl 380363237 OHZUSNKIHVUTKP-OAHLLOKOSA-N 316.938 6.226 30 10 DKEE C=CCCC[C@@H](C)Nc1nccc2c(Br)cccc12 398058679 FINSIEMNYYKKCT-GFCCVEGCSA-N 319.246 5.154 30 10 DKEE C=CCCCCC[C@@H](N)c1ccccc1NC(=O)OC(C)(C)C 406211568 ITTKOLWCBLPSBE-MRXNPFEDSA-N 318.461 5.170 30 10 DKEE CCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C(C)C 698398897 MWRBEHOBHLTYMA-GOSISDBHSA-N 310.482 5.275 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=NC(=O)c1cccc3ccccc13)C2 1772718624 NJAUAVBOKXJGQK-YCRPNKLZSA-N 305.421 5.267 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 1857938293 PGWGLGCLHSTCAR-XQNSMLJCSA-N 321.464 5.414 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(Cl)c1F 1893126069 UJFWLEMPYBSVHD-KOLCDFICSA-N 301.192 5.017 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)C(=C)COCc1ccccc1 1903135117 YVEFZQUQGSKEMJ-SFTDATJTSA-N 315.501 5.120 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Br)ccc1F 1920442547 HQYAXZYASKHYJM-HNNXBMFYSA-N 316.258 5.123 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)CC2CCC2)C1 1946844744 HVMLMHOJFQGCTF-BVYCBKJFSA-N 324.512 5.397 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cccc2ccccc12 1990796350 CJYIPFGIOFXJES-UHFFFAOYSA-N 301.433 5.418 30 10 DKEE C=C([C@H](NCCC)c1snc(Cl)c1Cl)C(C)(C)C 2048315092 FXGJHANNOLDUHU-JTQLQIEISA-N 307.290 5.093 30 10 DKEE CC[C@@H](c1ccc(C)cc1C)n1nc(C2CCCC2)cc1C#N 2070134017 HZJADJBSXSXLKC-FQEVSTJZSA-N 307.441 5.029 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccc(Br)o1 2086258271 BNBFMCKYNJDBRN-ZDUSSCGKSA-N 314.267 5.349 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1ccc(Cl)cc1Cl 2108214460 VWCVCPVVOYSHFA-LSDHHAIUSA-N 300.229 5.137 30 10 DKEE C=CCCCC[C@@H](NCCC)c1c(Cl)cccc1Cl 2123088832 NAVQVTWVQJOIBJ-OAHLLOKOSA-N 300.273 5.781 30 10 DKEE CCCCC#CC[C@H](NCCC)c1ccc(Cl)cc1Cl 2203787340 LFOOPXLUQXOVQT-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE Cc1c(Br)csc1C(=O)C1=CCCCCCC1 2213770298 WQVBDKHTCXAIFR-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE N#Cc1sccc1COc1c(Cl)cc(Cl)cc1Cl 2263180394 VFMCLAMCSLPLFY-UHFFFAOYSA-N 318.612 5.159 30 10 DKEE Cc1cc(CNc2cc(Cl)c(Cl)cc2C)ccc1C#N 2281490252 RGPHULNWYKFIFZ-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2289713879 SOGJKTMUQVVQGG-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE CCCCCCCC[C@](C)(OCCN)c1ccc(Cl)s1 2294291214 WXXIITMSZDBACR-INIZCTEOSA-N 317.926 5.343 30 10 DKEE CCOc1ccc(C(C)=NOCc2cccc3ccccc23)cc1 2330467140 CIFOSFFBALFUQA-UHFFFAOYSA-N 319.404 5.179 30 10 DKEE Cc1c(COC[C@@H](CS)CC2CC2)ccc(Cl)c1Cl 2339424818 ZSQSBBNFIPKPTE-LBPRGKRZSA-N 319.297 5.165 30 10 DKEE CC(C)(C)[C@](C)(CS)COCCCCCC(F)(F)F 2352175108 WPTMOIKRNHDNHU-ZDUSSCGKSA-N 300.430 5.108 30 10 DKEE C#Cc1ccccc1N[C@H](C)c1cc(F)c(Cl)cc1Cl 2365451116 PXXWTMVJRGSODN-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE COc1c(Cl)cc(C[C@@]2(C#N)CCCC[C@H]2C)cc1Cl 2365736712 PEPNHCZYGSVDJC-BDJLRTHQSA-N 312.240 5.265 30 10 DKEE C=C[C@H](C)C[C@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377414425 WTJHOOIKMAQCAY-WCQYABFASA-N 318.263 5.255 30 10 DKEE O=C1/C(=C\c2cccs2)CCCC/C1=C\c1cccs1 495362 QLMGTUZRKDNOBJ-HEEUSZRZSA-N 300.448 5.420 30 10 DKEE C#Cc1cccc(N[C@@H](CC)c2ccc(Cl)c(Cl)c2)c1 37185125 SWQIHIVKXQLOCB-KRWDZBQOSA-N 304.220 5.538 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1Cl 37412546 JRFWHNHYSGEHTE-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(C)c1C 83193525 PZYQUSUNCTYBRL-ZRDIBKRKSA-N 308.421 5.297 30 10 DKEE Cc1cc(C)c(OCC(C)C)c(C(=O)/C=C/c2ccccc2)c1 83193835 DKQJKZSCOLLQOI-ZHACJKMWSA-N 308.421 5.234 30 10 DKEE Clc1cccc(Cl)c1/N=C1\NC[C@H](c2ccccc2)S1 88172163 HIBPONLIKZLPFI-CYBMUJFWSA-N 323.248 5.059 30 10 DKEE CCCCCCC[C@H](C#N)Nc1cccc(Br)c1 103993321 OXOLWXQWYWYFQZ-OAHLLOKOSA-N 309.251 5.114 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(F)c(Cl)cc1Cl 109706799 ZLTHNZJYULJDDG-INIZCTEOSA-N 320.279 6.057 30 10 DKEE N#Cc1ccc(Sc2cccc(Cl)c2)cc1C(F)(F)F 110354316 JFOINYWYBHWIPH-UHFFFAOYSA-N 313.731 5.382 30 10 DKEE CCCCCCCCC[C@H](NN)c1cccc(F)c1Cl 122227965 AKFMJTNDUQNFMQ-HNNXBMFYSA-N 300.849 5.124 30 10 DKEE CCCCCCCCOc1cccc(SCC)c1C(=O)O 137185912 ZPSADFULVUOVPI-UHFFFAOYSA-N 310.459 5.236 30 10 DKEE CCCCCCCCc1ccc(/N=C/c2ccc(OC)cc2)cc1 142525262 KHVSYEHBIPQNMF-PTGBLXJZSA-N 323.480 6.349 30 10 DKEE CCCCCCCc1ccc(-c2ccc(C(=O)OC)cc2)cc1 145479856 IXYUSDWFQQXDTP-UHFFFAOYSA-N 310.437 5.653 30 10 DKEE CCSc1cccc(Oc2cccc(Cl)c2F)c1C#N 167119715 XZVCYDKUWPEITH-UHFFFAOYSA-N 307.777 5.255 30 10 DKEE CCc1nc(C)cn1[C@@H]1CCCCCCCCCCC1=NO 254615103 SFJRISMOOBVMPN-QGZVFWFLSA-N 305.466 5.040 30 10 DKEE N#Cc1cc(F)cc(Oc2ccc(OCc3ccccc3)cc2)c1 305764062 QQQPNJMVIMRQHG-UHFFFAOYSA-N 319.335 5.069 30 10 DKEE O=C(C1=CCCCCC1)c1cccc(Cl)c1C(F)(F)F 379168563 OIHXUFIAZVTVFD-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698913607 DKFVAEJACMQDMF-SFHVURJKSA-N 320.408 5.040 30 10 DKEE CCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCC1 712326747 LDENWHNXWFYGJZ-MRXNPFEDSA-N 308.466 5.029 30 10 DKEE CCCCCCCCCCCCOC(=O)N[C@H]1C[C@H]2C=C[C@H]1C2 1614722427 ZHEVJHHNIVIDAZ-FHWLQOOXSA-N 321.505 5.598 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1cc(Cl)c(Cl)s1)C1CC1 1887463059 DHSICFGGJAPPMK-YPMHNXCESA-N 316.297 5.145 30 10 DKEE CC1(C)OB(C=Cc2cc(-c3cccs3)cs2)OC1(C)C 1907862190 YQCVSZYSBBIIPD-UHFFFAOYSA-N 318.272 5.121 30 10 DKEE C=C1CCC(C[C@]2(O)CCCC[C@H]2OCc2ccccc2)CC1 1991157002 DCDCUPLLCMQXCI-NHCUHLMSSA-N 314.469 5.013 30 10 DKEE C=CCCCCCCC(=O)c1ccc(Br)c(F)c1 2085847708 RPDVGCFAASRNNX-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(C)c(Br)c1C 2108005562 USDOTAKAOFSIEL-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(F)c(Cl)cc1Cl 2138949518 CWKVHAVGDJFYPF-LLVKDONJSA-N 306.252 6.293 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(-c2cccs2)s1 2140968552 UBDQUELYPONBLE-LBPRGKRZSA-N 311.903 5.660 30 10 DKEE C=CCCCCCCNCCc1ccc(Cl)cc1Cl 2141922917 RRXHTLNOJVMWRG-UHFFFAOYSA-N 300.273 5.262 30 10 DKEE C=CCCCCCCCCC(=O)c1cc(Cl)sc1Cl 2142442033 QUBSTODHKKMXOZ-UHFFFAOYSA-N 319.297 6.544 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1cc(Cl)ccc1Cl 2173629150 LRUYTMWHDIRAST-GOEBONIOSA-N 312.240 5.137 30 10 DKEE C=CCCCCCCCCC[C@@H](N)C[C@@H](C)P(C)(C)=O 2207402098 IMUTUUXOZSOBST-IAGOWNOFSA-N 301.455 5.412 30 10 DKEE C=CCCCCOCc1ccc(Cl)c(Br)c1F 2213512960 YCSIKFQIBIWJFJ-UHFFFAOYSA-N 321.617 5.115 30 10 DKEE Cc1cc(Br)ccc1Sc1ccc(C#N)cc1C 2256883601 YOPILGPLRCJBIT-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCC(CS)(CCC)CSCC1(C(F)(F)F)CC1 2266508945 BZMFWTHYLKTEIA-UHFFFAOYSA-N 314.482 5.579 30 10 DKEE C=CCCCCCCCSCc1nc(Cl)ccc1Cl 2271592256 VAQRWHZKZFKSFO-UHFFFAOYSA-N 318.313 6.148 30 10 DKEE C=C(C)CCCC[C@@H](CSc1ccc(Cl)cc1)NCC 2287468642 XHTFBKKAOPURPV-INIZCTEOSA-N 311.922 5.547 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1sc(C(F)(F)F)cc1C 2294988885 ZHVKBIAQNCVKRZ-MFKMUULPSA-N 305.409 5.328 30 10 DKEE CCCSc1ccc(C(=O)C=Cc2c[nH]c3ccccc23)cc1 2295967788 HHGTXMPKAYCUIV-UHFFFAOYSA-N 321.445 5.566 30 10 DKEE C[C@@]12CCCC[C@H]1CCC(=Cc1ccc(C(F)(F)F)cc1)C2=O 2297510127 BFQYSIMJMLREMQ-MAUKXSAKSA-N 322.370 5.648 30 10 DKEE CC[C@@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324708415 PHGQTRZQURCXQK-OAHLLOKOSA-N 322.404 5.097 30 10 DKEE C=CC[C@H](C)SC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2335103990 TZKNLPLNLYQXHL-XPTSAGLGSA-N 322.276 5.091 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1ccccc1Br 2338737351 CMZRCKUWKMKWCD-QGZVFWFLSA-N 322.290 5.258 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1C 2339056123 RMDARDHIHSXJBK-HNNXBMFYSA-N 303.273 6.086 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)cc(F)c1Cl 2344337145 OLGCOXNECQUJLW-BONVTDFDSA-N 304.236 5.385 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2364006785 KATWOYOUZMMEKC-WFASDCNBSA-N 314.300 5.425 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2370541577 XJWIQOWKYVAKTD-DLBZAZTESA-N 314.300 6.027 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(Cl)c(C(F)F)s1 2371321335 XYJOVZMNONYOAN-HIFRSBDPSA-N 321.864 5.982 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(F)cc1Cl 36926942 ILVGBUFPGXIXDU-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCOc1ccc(F)cc1Br 59089357 JPTAYRGBVCRFLQ-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE CCCCCCCC/C=C/CCCCCCCCCCCCO 85659329 CFOQKXQWGLAKSK-MDZDMXLPSA-N 324.593 7.577 30 10 DKEE CCCCCCCC[C@@H](CSc1ccccc1)NCCC 115648610 LDVHDUVLEUYMBG-SFHVURJKSA-N 307.547 5.898 30 10 DKEE CCCCCCCCOc1c(Cl)cccc1CNCCC 128921263 XYMVTIFVISRODY-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CC(C)(C)C1CCC([C@H](C#N)Nc2ccc(Cl)cc2)CC1 130047102 JULOPSMYCFMPJS-KVULBXGLSA-N 304.865 5.497 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(F)ccc1C(F)(F)F 164718657 VOZXOMAXTZTRNX-HNNXBMFYSA-N 303.343 5.242 30 10 DKEE CC(C)c1ccccc1Oc1cc(Br)cc(C#N)c1 227634131 QRIMFVRYWJWMOL-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCC[C@H]1CNc2c(Br)cccc21 232929040 NRHLTBQTUIZGDW-ZDUSSCGKSA-N 310.279 5.709 30 10 DKEE CCCCCC[C@@](C#N)(CC[N+](C)(CC)CC)c1ccccc1 247650186 MMMRCGMSXUQYJU-NRFANRHFSA-N 315.525 5.295 30 10 DKEE CCCCCCCCCCOc1ccc(C(CC)=NO)c(O)c1 254838103 HWOGLWGFRRJDEC-UHFFFAOYSA-N 321.461 5.500 30 10 DKEE C[C@H](Nc1cccc(CC#N)c1)c1ccc(Cl)c(Cl)c1 313406637 FKIJELQVOIHHDM-NSHDSACASA-N 305.208 5.233 30 10 DKEE N#Cc1cc(Cl)cc(OCCCCCCCCCS)c1 383791235 MQDRQPYGNYSQNT-UHFFFAOYSA-N 311.878 5.251 30 10 DKEE CCC[C@@H](C)C(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405933845 UVARPEBJZBTPNN-JWAFFJSPSA-N 317.429 5.052 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(Br)c1 709384387 IDLJPUWYZPUEPH-JJRVBVJISA-N 322.290 5.235 30 10 DKEE C=C(Cl)C[C@@H](Cc1c(Cl)cccc1Cl)NCCC 710592682 SIKRHTGLBFFZGX-NSHDSACASA-N 306.664 5.047 30 10 DKEE CCCC(CS)(CCC)CN1CCc2ccsc2[C@@H]1C 711839798 BVJGOJVWWFYWCR-AWEZNQCLSA-N 311.560 5.184 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2ccc(Cl)cc2Cl)CC1 724615528 HCESEHPDVPQDMF-QGZVFWFLSA-N 312.284 5.781 30 10 DKEE C=CCc1cc(C=Nc2ccccc2C(C)C)cc(OCC)c1O 1084257260 DRMCWYLDXJOZIJ-UHFFFAOYSA-N 323.436 5.393 30 10 DKEE CCCCCCCCN(C)c1nc(Cl)c(Cl)cc1Cl 1887057971 XVNCSKNGEUCUTE-UHFFFAOYSA-N 323.695 5.839 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@]1(C)CCCCC1(F)F 1960756984 LRSPYCRWMBJQIW-GOSISDBHSA-N 307.428 5.280 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(CCC)CCC1 1978584778 AEDOLCXNEDPEFW-FQEVSTJZSA-N 315.501 5.098 30 10 DKEE C=CCCCCCC[C@]1(O)CC(C)(C)[C@H]1OCc1ccccc1 1995169866 VTLPYTIHWGYFCD-CTNGQTDRSA-N 316.485 5.259 30 10 DKEE C=C(C)CN(Cc1ccccc1)CC1(c2ccccc2)CCCC1 2019342984 USLQLEQSBDLKRA-UHFFFAOYSA-N 319.492 5.577 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(C)cc(Br)c1 2040533349 KODZOZAPZJSWBJ-BBRMVZONSA-N 310.279 5.010 30 10 DKEE CCCC[C@](C#N)(CC)Cc1ccc(Br)c(F)c1 2046001354 ZYPFPLILUJIGTF-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE C=C(CC)CC(=O)c1cc(Br)cc(C(F)(F)F)c1 2052292558 PGMBVGMVVJCDBP-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(C)c(Br)o1 2085853683 GGANECWENVLENG-CYBMUJFWSA-N 314.267 5.138 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCCCC1(C)C 2117022213 CZOUDGGBKILUOZ-KRWDZBQOSA-N 320.274 5.410 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2ccc(Br)cc2)CC1 2125219004 VTJXUCQTRNJUCR-AWEZNQCLSA-N 321.258 5.404 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1cc2sccc2s1 2140589522 LSUJGZRTIFMJNU-NSHDSACASA-N 304.827 5.293 30 10 DKEE C=C(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(F)(F)F 2164067852 CEVQHKQOQLKGKO-UHFFFAOYSA-N 316.731 5.370 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(F)c(Cl)c(F)c1 2201606944 YGDIRTBRJBVXSO-OAHLLOKOSA-N 303.824 5.629 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCC1)c1cc(Cl)cc(Cl)c1 2203955653 BVBQRQLLWAHXJE-OAHLLOKOSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCCC[S@](=N)(=O)c1ccc(Cl)cc1 2207374344 BCTMWNWNSYUEPF-FQEVSTJZSA-N 313.894 5.662 30 10 DKEE C=CCCCCCCCCC[C@@H](CCP(C)(C)=O)NC 2207396652 NJORMEMXUFLAIJ-KRWDZBQOSA-N 301.455 5.284 30 10 DKEE C=CCCCCCCCOc1ccc(C)c(Br)c1 2220089778 TVTLRHDOBXOWBV-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE CCCCCCC[C@H](NCC)c1nc(C(C)(F)F)cs1 2234822910 IYBXZXFDVNJRSP-LBPRGKRZSA-N 304.450 5.266 30 10 DKEE C=CCC(C)(C)OC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2238015320 LCYFNSOBLNLCBS-HNNXBMFYSA-N 316.272 5.015 30 10 DKEE Cc1cc(Br)ccc1SC[C@H](CS)C(C)C 2243786467 UPSXYIDXWMDFJX-NSHDSACASA-N 319.333 5.052 30 10 DKEE CCCCCCCCN(C)c1c(Br)cccc1C#N 2269727996 SWJFLEUTCMABJO-UHFFFAOYSA-N 323.278 5.117 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(F)c(Cl)c1F 2287372657 NYUSBVPKLAUDMP-CQSZACIVSA-N 301.808 5.405 30 10 DKEE CCCCCCCCC[C@@H](N)c1csc(C(C)(F)F)n1 2289391562 UPAWKGFACVKBPJ-GFCCVEGCSA-N 304.450 5.395 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1cccc(Cl)c1Cl 2292804074 YPRUUZGYRZQQDC-HNNXBMFYSA-N 316.272 5.146 30 10 DKEE CCCCCCC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2335360008 ALCSNBFAYQGOKI-AWEZNQCLSA-N 306.252 5.754 30 10 DKEE C=C([C@@H](NCC)c1cc(F)c(Cl)cc1Cl)[Si](C)(C)C 2349832201 ULXWCYBTFAIFML-CQSZACIVSA-N 320.311 5.217 30 10 DKEE CN1C[C@@H](c2ccccc2)/C(=N\c2ccccc2)c2ccccc21 5328901 UOTIOZGZEGQTAS-LPNGOHTBSA-N 312.416 5.041 30 10 DKEE C#CCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 39908477 GTRIHVWVVIQNTO-KRWDZBQOSA-N 316.448 5.020 30 10 DKEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl 109947640 YBCDPGMSASDRFD-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccc(Cl)s1 115062827 VOMTXMOGLIJNKT-CQSZACIVSA-N 301.927 6.193 30 10 DKEE CCCCCCCCC[C@H](N)CSc1ccccc1Cl 117520368 XYEQEONETLXYSZ-HNNXBMFYSA-N 313.938 5.900 30 10 DKEE CCCCCCCCCCCC[C@H](NN)[C@@]1(C)CCCS1 122731574 SQHPLKZWLRVDSF-ZWKOTPCHSA-N 314.583 5.415 30 10 DKEE CCCCCCCCCCNc1nc2ccc(F)cc2s1 129445165 XLZAGTXTAKVWQA-UHFFFAOYSA-N 308.466 5.988 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc(Cl)ccc1F 169277938 FHOAWNLMNGKKBF-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CC(C)CCCCC[C@]1(C#N)CCCCN1C(=O)OC(C)(C)C 383367532 IIZYMLDSBJSLAT-LJQANCHMSA-N 322.493 5.276 30 10 DKEE C#C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C(C)(C)C 702296496 VTAAVWZUTSFJOS-SKDRFNHKSA-N 318.675 5.345 30 10 DKEE CC[C@@](C#N)(C1CC1)N(C(=O)OC(C)(C)C)C1CCCCCC1 710715955 JFPMXKYVBBCJIO-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CC[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712267495 YJUFMLJHQGQAAI-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CC[C@H]1CCC[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 722121125 VDVWBSWKPYYPEZ-GUYCJALGSA-N 310.268 6.036 30 10 DKEE C=C1CCC(CC(=O)c2c(C)cccc2Br)CC1 724582276 IBBLKTUAGFORIG-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE CC/C(=N\OCc1cccc2ccccc12)c1ccc(C)cc1C 821219546 NUKKRQRCTMVECX-GHVJWSGMSA-N 317.432 5.788 30 10 DKEE CCCCCCCOc1cn(CCCCCC)c(C)cc1=O 1870092696 FGELDHVTHVXJNO-UHFFFAOYSA-N 307.478 5.086 30 10 DKEE CC1(C)CCC[C@](C)(Nc2ccc(C#N)c(Br)c2)C1 1877821613 AMUHQJCIVRFXFE-INIZCTEOSA-N 321.262 5.092 30 10 DKEE N#Cc1cccc(NC(=O)Nc2ccc(C3CCCCC3)cc2)c1 1889814279 JQKBTABQILATIH-UHFFFAOYSA-N 319.408 5.250 30 10 DKEE Fc1c(NCC#CC2CCCCC2)ccc(Cl)c1Cl 1893165239 GAWNVBFXMPUEEY-UHFFFAOYSA-N 300.204 5.128 30 10 DKEE CCCCCCC[C@](C)(O)Cc1cc(Cl)cc(Cl)c1 1893317611 HPSOQAQGIFAXDY-INIZCTEOSA-N 303.273 5.647 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(Br)s1 1919991607 IDIDRQDQZKKISK-CYBMUJFWSA-N 305.281 5.079 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NC)C1(C)CCCCCCC1 1981428907 XMMMXSBHPMXFSG-HXUWFJFHSA-N 315.501 5.098 30 10 DKEE C=C(C[C@H](NCC)c1ccc(Br)cc1)C(C)(C)C 2050519777 UACGBZMJHRNFNI-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccc(Br)cc1 2053379590 AJJZQNXUMIEJGN-MRXNPFEDSA-N 306.247 5.102 30 10 DKEE C[C@H]1C[C@@](C#N)(Nc2cccc(Cl)c2)c2ccsc2S1 2152751212 XCOBEJRMYIIHKM-BONVTDFDSA-N 320.870 5.117 30 10 DKEE N#CC1(Cc2ccsc2C(F)(F)F)CCCCCCC1 2157655317 ZTVXUODGUUBULO-UHFFFAOYSA-N 301.377 5.564 30 10 DKEE C=CC1(CN[C@H](c2cccs2)c2ccc(Cl)s2)CCC1 2168007672 NITLAQYVTFJOQA-OAHLLOKOSA-N 323.914 5.498 30 10 DKEE CCCCCCCCCC[C@H](CCP(C)(C)=O)NCC 2177192292 AQCDZVWPCIEURQ-QGZVFWFLSA-N 303.471 5.508 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2206802991 TYTWVEUUFYNGHD-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=C1CC([C@@H](NCCC)c2cc(Cl)cc(Cl)c2Cl)C1 2227312191 FPPMZLPXTVGVAX-OAHLLOKOSA-N 318.675 5.654 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(Cl)cc1N 2271579980 BSRFIAWVROUZSX-UHFFFAOYSA-N 318.313 6.194 30 10 DKEE CCCCCCCCC[C@H](O)C(=O)c1cc(Cl)cs1 2274595930 ZHYOCUPKLKTORY-ZDUSSCGKSA-N 302.867 5.086 30 10 DKEE CCCCCCCC[C@@H](OCC(=O)O)c1cscc1Cl 2290613344 FGRZDESQLHFERW-CQSZACIVSA-N 318.866 5.294 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(Br)cc1C 2344370255 ABEQOVZSKBGUGQ-DLBZAZTESA-N 324.306 5.401 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2370533580 KGILUULZVWTHLF-KBPBESRZSA-N 305.771 5.351 30 10 DKEE CCCCCCCCNCc1ccc(OCCC(C)C)cc1 100048997 QMWDDINSRXVINL-UHFFFAOYSA-N 305.506 5.562 30 10 DKEE CSC(SC)=C1CCC/C(=C/c2ccc(Cl)cc2)C1=O 103042653 LVFHHXRUDINJFG-BENRWUELSA-N 324.898 5.414 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1ccc(Cl)s1 115856827 DPUASWGFODKROH-HNNXBMFYSA-N 315.954 6.583 30 10 DKEE C=CCSc1ccccc1N[C@@H](CC)c1ccccc1F 127274976 QEIQAQMHUIWRMA-INIZCTEOSA-N 301.430 5.667 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(F)cc1C(F)(F)F 167429232 FFYGQOCBPLQVLD-HNNXBMFYSA-N 306.343 5.629 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2nc3ccccc3o2)C1 222258713 YKRQANRUHQFEEC-WWGRRREGSA-N 300.427 5.028 30 10 DKEE CCCCCCCC(=O)c1cc(Br)ccc1F 229258849 KEVPKNWNROCNHD-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE CC(=NNc1nc(-c2ccccc2)c(C)s1)c1ccc(C)cc1 252463172 ZKFZKWDJBKHZSR-UHFFFAOYSA-N 321.449 5.263 30 10 DKEE CC[C@H](C)[C@@H](C)[C@@H](C#N)Sc1ccccc1Br 319871543 VXXVWRVDRWXAEC-MISXGVKJSA-N 312.276 5.116 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1cc(Cl)ccc1Cl 379904662 HPVPHDDYLDKVDQ-MRXNPFEDSA-N 312.284 5.474 30 10 DKEE C=CCCC[C@H](C)N[C@H](Cc1cccs1)c1cccs1 398055346 DKIHVIKWCIIRPJ-GOEBONIOSA-N 305.512 5.428 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C#N)(CCC(C)C)C1CC1 698382336 XVBMEPYIUQDWNY-KXBFYZLASA-N 322.493 5.131 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1ccsc1C(F)(F)F 704319329 QTDUTESJWDOGTA-LLVKDONJSA-N 316.735 5.097 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cscc1Cl 710395275 KUWYAQVNFUDCKT-INIZCTEOSA-N 301.927 6.193 30 10 DKEE CC(C)C1CCC(C#N)(C[C@@H](C)COCc2ccccc2)CC1 719614443 BCZZHPAHBARLIQ-KMFTYDHNSA-N 313.485 5.586 30 10 DKEE CSc1cc(SC(F)(F)F)c2sccc2c1CC#N 725318642 TUEIVCAYCCLALN-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C/C(=N\OCc1ccccc1F)c1ccc(-c2ccccc2)cc1 1857936237 BPCSZBYKLQQHDS-XQNSMLJCSA-N 319.379 5.434 30 10 DKEE CCCCCCCOc1cccc(NC(=O)CCC(C)C)c1 1860135139 YSOKKCSXNMUBOU-UHFFFAOYSA-N 305.462 5.411 30 10 DKEE CCCCCCCCNc1cccc(F)c1Br 1942161371 YFSWJNISUUYMCK-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE C=CC1(NCc2c(Cl)ccc(Cl)c2Cl)CCCC1 2057950588 SKXRPFXTIYYNOU-UHFFFAOYSA-N 304.648 5.235 30 10 DKEE Cc1cccc(Br)c1C(=O)C1=CCC(C)(C)CC1 2061173171 FIULZRVGGXCRQF-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](C)c1cc(Cl)cc(Cl)c1F 2096542417 MTEOTUNXIOFNGF-GHMZBOCLSA-N 304.236 5.528 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ncc(Cl)cc1Cl 2102109885 BYEJEGATBPJOHP-BXUZGUMPSA-N 301.261 5.031 30 10 DKEE C#CCC1(N[C@@H](C)c2ccc(Cl)c(Cl)c2)CCCCC1 2146198832 SVZAZLOBMGAPMC-ZDUSSCGKSA-N 310.268 5.370 30 10 DKEE C#Cc1cccc(N(CC)Cc2c(Cl)cccc2Cl)c1 2179343621 GQZRYRVVHNXMCW-UHFFFAOYSA-N 304.220 5.001 30 10 DKEE C=CCCCCCCCCC(=O)c1ncc(Cl)cc1Cl 2207413440 JXCCSWDKJWDHHK-UHFFFAOYSA-N 314.256 5.878 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2212100450 MEHLFPFXYUVUTG-DNVCBOLYSA-N 322.493 5.131 30 10 DKEE CCCCCCCCCOc1ccc(Br)c(C)n1 2223239582 DEVMDMVKZUQCIA-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)cc(Cl)c1Cl 2227333227 HFISLANXBSLTKV-UHFFFAOYSA-N 321.675 6.580 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ncc(C(C)(F)F)s1 2279285494 JDWNLXDNJZTPKJ-CQSZACIVSA-N 304.450 5.179 30 10 DKEE C=CCCCCCOc1c(Cl)cc(C[C@H](C)N)cc1Cl 2296286919 PZWAFKXYFAEPFA-LBPRGKRZSA-N 316.272 5.008 30 10 DKEE Cc1ccc2nc(C(C)(C)C)c(N=Nc3cccc(C#N)c3)n2c1 2320768573 HMXBZTOSNKLTIL-UHFFFAOYSA-N 317.396 5.227 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)c(Cl)cc1Cl 2321219343 IAYJZLIELUWFHS-UONOGXRCSA-N 307.648 5.673 30 10 DKEE C=C1CC(CCCc2cc(Cl)cc(Cl)c2)(CNCC)C1 2366903391 LSWHUUWWBQXXSO-UHFFFAOYSA-N 312.284 5.262 30 10 DKEE N#Cc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)cc1 19989611 FFFUPCZODHQYCN-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc(C)cs2)C1 37155764 JSQXCXFHKVOSTF-BFHYXJOUSA-N 308.516 5.288 30 10 DKEE Cc1ccn2c(/N=N\c3cccc(C#N)c3)c(C(C)(C)C)nc2c1 71582441 ONXGQYWQIDBOLT-FCQUAONHSA-N 317.396 5.227 30 10 DKEE Cc1ccc(C)c(C(=O)/C=C\Nc2cc(Cl)cc(Cl)c2)c1 103031019 ZVJRHTJZRZSJDA-WAYWQWQTSA-N 320.219 5.419 30 10 DKEE CN(Cc1ccc(Cl)s1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 110264025 HVHNPVWPUAAHKH-VNHYZAJKSA-N 324.921 5.188 30 10 DKEE N#Cc1c(Cl)cccc1Sc1cccc(Br)c1 110354508 PZTSNSNPLMSQSI-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCSc1ccc([C@@H](C)NCC)cc1 114530031 COVXIECWFXRVIO-QGZVFWFLSA-N 307.547 6.200 30 10 DKEE N#Cc1ccc(Br)cc1Nc1cccc2ccccc12 123055537 YNIVPYHPBQYAJC-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Br)cc1F 124806849 KUXDTRQGHHPRSP-OAHLLOKOSA-N 316.258 5.209 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1 133136028 YKFHTQZZGASHOG-QGZVFWFLSA-N 316.316 6.524 30 10 DKEE C=C[C@H](CC(=O)N1CCCC[C@H]1c1ccc(C)o1)c1ccccc1 135680699 QBYBEFWXDAULFP-MJGOQNOKSA-N 323.436 5.002 30 10 DKEE C=CCC[C@H](NCC)c1ccc2cc(Br)ccc2c1 167771744 LALNAHPUVGPMTA-KRWDZBQOSA-N 318.258 5.219 30 10 DKEE C[C@H]1C[C@H](Nc2ccc(C#N)cc2Cl)c2ccsc2S1 235724857 HFOLWJSCBGQQJC-XPTSAGLGSA-N 320.870 5.311 30 10 DKEE Cc1ccc(C)c(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)c1 252434959 HFZATPNLDKJTEB-LZLYRXPVSA-N 301.499 5.750 30 10 DKEE CC(C)(C)c1ccc(O)c(N=C/C=C\c2cccc([N+](=O)[O-])c2)c1 254377916 KXPIBGVOQIDPKZ-UDIFLNKKSA-N 324.380 5.014 30 10 DKEE CC(=Nc1c(C)cc(C)cc1C)C(C)=Nc1c(C)cc(C)cc1C 257351483 FJAOMTXFIFEIFY-UHFFFAOYSA-N 320.480 6.422 30 10 DKEE CC[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712267496 YJUFMLJHQGQAAI-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C/C(=N\Nc1ccccc1)[C@H](c1ccccc1)c1ccc(C)cc1 1088669449 HOGNPKXGLLSCSB-BRVJYZJNSA-N 314.432 5.615 30 10 DKEE CCCC[C@@H](CC)CC(=O)Nc1sc2c(c1C#N)CCCC2 1866106622 AVZAELAVNXJPSO-CYBMUJFWSA-N 318.486 5.044 30 10 DKEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CCC1 1878558737 MELYFRWAWRFIKT-TVQRCGJNSA-N 316.659 5.099 30 10 DKEE C=C([C@H](NC)c1ccc(Cl)cc1C(F)(F)F)[Si](C)(C)C 1923043255 CPAUXYZKPLIWQD-ZDUSSCGKSA-N 321.846 5.053 30 10 DKEE CC(C)(C)N(Cc1ccccc1)CC1(CS)CCCCCC1 1932005435 MZWZRLIJJIFBGQ-UHFFFAOYSA-N 319.558 5.558 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)C1CCCCC1 1932029483 UMHKJSJAIMOIEN-UHFFFAOYSA-N 319.558 5.558 30 10 DKEE CCCCCCC[C@@H](O)c1sc(CC)cc1Br 1942108580 BUYVYPMBWCEPSP-CYBMUJFWSA-N 319.308 5.467 30 10 DKEE CCC(=CC(=O)c1ccc(Br)c(Cl)c1)CC 1976441631 PXWCPWSMSZCKGE-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1cc(Br)c(Cl)s1 1978520485 UJZIBMBVYIFRAM-KCJUWKMLSA-N 322.699 5.027 30 10 DKEE C=CC1(CNc2ccc(OCc3ccccc3)cc2C)CCC1 1980027409 OFYVDWJJFDLYFR-UHFFFAOYSA-N 307.437 5.342 30 10 DKEE CCCC[C@@](C)(C#N)[C@H](O)c1ccc(OCc2ccccc2)cc1 2000513533 KVVOJZBTZINVSM-RTWAWAEBSA-N 323.436 5.019 30 10 DKEE C[C@H](c1ccc(C2CC2)cc1)n1nc(C2CCCCC2)cc1C#N 2070085497 NIQLNQHPAAIFPI-OAHLLOKOSA-N 319.452 5.289 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1cc(C)ccc1C 2070135300 VKZBPDQSCFDLKA-QGZVFWFLSA-N 306.453 5.138 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cc(Cl)sc1Cl 2074835028 KPMHBYFHPPURDZ-CQSZACIVSA-N 302.270 5.708 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cc(Cl)sc1Cl 2085845980 BIJOVAMRYHHKOA-CQSZACIVSA-N 307.286 5.789 30 10 DKEE CCCCCCCC[C@H]1Nc2cccc(Br)c2O1 2086286499 JOFSWRRAWWLJMS-AWEZNQCLSA-N 312.251 5.330 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2cccc(Br)c2C)C1 2087379702 DLSQXVBETBHIMW-WMLDXEAASA-N 323.274 5.086 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2102110936 JPDLNJKGZXTOTR-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE CCCCCCCOc1ccc2ccc(Br)cc2c1 2142503418 WJXRLXGNPBWWDN-UHFFFAOYSA-N 321.258 5.952 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1F 2151941160 VOCMSWGPEMMZIZ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc(C(F)(F)F)cs2)CC1 2164141209 SMNHWCQIMKESGU-CYBMUJFWSA-N 303.393 5.164 30 10 DKEE CCCC(CS)(CCC)CN(C)CC[C@H](C)C(F)(F)F 2166587967 XAGHOCGQWUYPBK-ZDUSSCGKSA-N 313.473 5.023 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(OC)c(Cl)c1Cl 2203425432 GPJKMVLAKFUBHV-CYBMUJFWSA-N 318.288 5.623 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1cc2sccc2s1 2205532706 XYKCNOXSJXGQKI-GOEBONIOSA-N 305.468 5.106 30 10 DKEE C=CCCCCCCC[C@@H](O)c1c(F)ccc(Cl)c1F 2235539791 QXLIQKPYEHIREW-CQSZACIVSA-N 302.792 5.568 30 10 DKEE CCC(CC)(CS)COCc1cccc(Cl)c1Cl 2317168733 XZXMWROMGWIFHF-UHFFFAOYSA-N 307.286 5.246 30 10 DKEE CCCC[C@](C)(C#N)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2340460433 QVRJEAJHSFVQQA-LSDHHAIUSA-N 300.229 5.055 30 10 DKEE C=CC[C@H]1CCC[C@H]1NCc1ccc(-c2cccs2)s1 2362234554 DOKQSFDPVRCYTQ-DZGCQCFKSA-N 303.496 5.311 30 10 DKEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2cc(Cl)c(C)cc21 2362303418 VWURVZXRGJREBR-FZMZJTMJSA-N 306.862 5.204 30 10 DKEE C[C@@H]1O[C@H](C)C[C@@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366901208 VVJOKHCPEHIQIT-BFQNTYOBSA-N 312.240 5.023 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(C(F)(F)F)cc1Cl 2370525275 MHAFMMUMXGPWDQ-CQSZACIVSA-N 304.739 5.534 30 10 DKEE N#C[C@H](NC1CCCCCC1)c1cc(F)c(Cl)cc1Cl 2377419732 JYVJOZMLEAKJAJ-HNNXBMFYSA-N 315.219 5.010 30 10 DKEE Cc1cc(C)c2c(C#N)c(Cl)n(Cc3ccccc3C)c2c1 71465838 BJROGCIGAVBQGH-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2cccs2)cc1C(C)(C)C 83192533 WJGIXJJNBMHRRY-MDZDMXLPSA-N 314.450 5.340 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(-c2ccccc2)cc1 103044085 ROQZEYAVWDLISJ-AKHYWTQASA-N 316.444 5.762 30 10 DKEE Cc1cccc(Cl)c1Nc1cc(Br)ccc1C#N 123330731 QFSDSBGBMFQUMZ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Cl)c(C)cc1Br 131707243 IUQFJRHYBWOJOP-SNVBAGLBSA-N 302.643 5.178 30 10 DKEE CCCCCCC[C@H](NCC)[C@H]1CCCC[C@@H]1C(F)(F)F 139585437 LJJKPYOFSVHOTA-JYJNAYRXSA-N 307.444 5.694 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccccc1SC 159040874 HKGJVSZTMOYGMN-SFHVURJKSA-N 307.547 6.200 30 10 DKEE CCCCCCCCCC[C@H](N)c1ccc(Cl)cc1OC 162352438 WJLSXEAWTDXJER-KRWDZBQOSA-N 311.897 5.879 30 10 DKEE Cc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)c(C#N)c1 164508587 OZHJBEDZHPZMRW-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCC/C=C(CCC)\C(C#C[Si](C)(C)C)=C/[Si](C)(C)C 199523185 LOLPFCLUORHSSR-XXQBJQNUSA-N 306.642 6.198 30 10 DKEE CCCCCCCC[C@H](NCC)c1coc(Br)c1 386241307 RENAVHQMEUWCTQ-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE C=CCCC[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 398088646 ORYVFDUMIBPXSU-VIFPVBQESA-N 303.189 5.058 30 10 DKEE CCCCCCCCCCCC[C@]1(O)CC[C@H](C)SC1 689400045 GLCPBIFEPKVIQE-ROUUACIJSA-N 300.552 5.944 30 10 DKEE CCC[C@@](C#N)(C1CC1)N(C(=O)OC(C)(C)C)C1CCCCC1 698373020 CWTWSTSPXHOXIE-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CC[C@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698419368 MWAUMTHYJJDXAJ-KXBFYZLASA-N 316.445 5.065 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)C1CCC1 698838715 IUHZUPCEEDTUGW-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=CCSC[C@@H](NCCC)c1c(Cl)ccc(F)c1Cl 708649275 GYCJNTOXEJYOJU-GFCCVEGCSA-N 322.276 5.092 30 10 DKEE CSc1ccc2c(SC(F)(F)F)csc2c1CC#N 725318631 SODMYEJZPCICEJ-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCCCCCCCN=c1[nH]c2cc(C)c(Cl)c(C)c2o1 1859788543 QBMBHXFAURXDOM-UHFFFAOYSA-N 308.853 5.292 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1c(Cl)cccc1Cl 1892439147 LNHQJQMIQFAWTF-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@H](C)CCN 1915399956 XSYJZOXOBRYAJD-HXUWFJFHSA-N 318.549 5.367 30 10 DKEE C=CCCCCCC[C@@]1(O)CCCC[C@H]1OCc1ccccc1 1995168622 GMYOKZHKALAKFM-NHCUHLMSSA-N 316.485 5.404 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1cc(Cl)ns1 2142435196 NRIUQXPWIDHPOY-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE CCCCCCC[C@@H](O)[C@H](NCCC)c1ccsc1Cl 2147439200 WKVYIXJDTHMJOT-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE C=CCCCCCCCNC1CC(COCc2ccccc2)C1 2211144767 GYGWVBYRFLMISI-UHFFFAOYSA-N 315.501 5.098 30 10 DKEE CCCC#CC[C@H](NC)c1cc(Br)cc(C(C)C)c1 2265945550 OJUNIFKONRSDRC-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)c2ccc(Br)c(F)c2)C1 2271530946 XBTIUGZAMWUEMY-UNJBNNCHSA-N 324.237 5.268 30 10 DKEE Cc1ccc2nc(C(C)C)c(N=Nc3ccccc3C#N)n2c1 2320769574 YPJCUPXKKNTLJD-UHFFFAOYSA-N 303.369 5.053 30 10 DKEE CCOc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2323203173 BJKBPSKJXQMWJO-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE C=CCC(CC=C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2335113984 MHECYZRSXXZLGK-JTQLQIEISA-N 318.675 5.818 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cccc(C)c1Br 2338744338 NCQGOFPKIPQNNQ-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2349888976 QUGXDGHKCUEIMF-OAHLLOKOSA-N 302.220 5.161 30 10 DKEE CCCCCCCC[C@H](N)Cc1ccc(Cl)c(Cl)c1C 2364019540 OIOJXELZIQYWNP-HNNXBMFYSA-N 316.316 5.922 30 10 DKEE C[C@H](Nc1cccc(Cl)c1Cl)c1ccc(OCC#N)cc1 37243419 DYRPVGAWCKOIGY-NSHDSACASA-N 321.207 5.069 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(Br)s2)C1 87972438 RBJNMWOWGXYIAI-FZMZJTMJSA-N 312.276 5.163 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(Br)cc2)C1 87972687 PICIWXUOQHLPMD-BBRMVZONSA-N 306.247 5.102 30 10 DKEE CC(C)CC1(C(=O)[C@@H](C#N)c2cccc(Cl)c2)CCCC1 94902646 QJYNHAUFLQUQAD-INIZCTEOSA-N 303.833 5.123 30 10 DKEE C=C(CNc1ccc(Cl)cc1Br)c1ccccc1 134369666 JYXIRQFFPJCUBR-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE N#Cc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)s1 161092478 BDDYHFOWULZGCA-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(C(C)(C)C)s2)C1 166301216 SKSQOUXTPRONSY-QBIMZIAESA-N 305.487 5.189 30 10 DKEE C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]23C)C1 257488824 MXYATHGRPJZBNA-LHDHZVESSA-N 302.458 5.206 30 10 DKEE endogenous,in-man CCCCCCCNc1cc(Cl)ccc1OC(F)(F)F 328321127 DVUXIQZDOJSKLJ-UHFFFAOYSA-N 309.759 5.621 30 10 DKEE CCCCCCCCC[C@@H](C)[C@H](N)COC(=S)CCC 585663970 MGOVLSMIYGCNFQ-HZPDHXFCSA-N 301.540 5.235 30 10 DKEE CC1(C)CC(C)(C)CC(C=O)(CCCOCc2ccccc2)C1 688003095 AVPCDBRUODGQAX-UHFFFAOYSA-N 316.485 5.405 30 10 DKEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698876795 USJAXUMIKUXHEG-QGZVFWFLSA-N 322.493 5.419 30 10 DKEE CCCCCCCCCCCC(=O)Cc1scnc1Cl 721131388 BBPRPNFITUVREM-UHFFFAOYSA-N 315.910 5.829 30 10 DKEE C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@H]1C 1860024896 AFNJEJDRLKMWAF-APWZRJJASA-N 313.485 5.191 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1C#N 1915377181 FUUMNNHPJCKONK-NZSAHSFTSA-N 324.493 5.394 30 10 DKEE C=CCCCCCCCCN[C@H]1CC[C@H]1OCc1ccccc1 1995327481 IMESIYQFFAUTOI-LEWJYISDSA-N 315.501 5.241 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cc(Cl)cc(Br)c1 2011353088 CFGXCJLWYHDZCG-CYBMUJFWSA-N 320.633 5.017 30 10 DKEE C=CC1(C[C@@H](NCC)c2scc(Cl)c2Cl)CCC1 2049036189 UUFHMDWKODFSFA-LLVKDONJSA-N 304.286 5.452 30 10 DKEE C=CCCCCCCNc1cc(Br)c(F)cc1C 2085850119 RXWNKNVQOUPZOY-UHFFFAOYSA-N 314.242 5.445 30 10 DKEE CCCCCCCCCNc1cc(C)cnc1Br 2086286478 JHCAUUGKWYCPRG-UHFFFAOYSA-N 313.283 5.315 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cc(Cl)c(Cl)s2)CC1 2125179413 AZXNJGHWSIHJDH-SNVBAGLBSA-N 317.281 6.010 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](O)c1cc(Cl)cs1 2147159200 OERWTPNPSUBGLJ-MRXNPFEDSA-N 316.894 5.535 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1cc(Cl)cc(Cl)c1 2148591668 QAAMFHAVNMUXFT-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE CCCCCCCCCc1nc(Cl)c(CCC)c(Cl)n1 2187977485 AGMYMOIPXXJETN-UHFFFAOYSA-N 317.304 6.029 30 10 DKEE CCCCCCCC[C@H](NC)c1nc(C(C)(F)F)cs1 2234822617 GNILKCYCPSNSLJ-LBPRGKRZSA-N 304.450 5.266 30 10 DKEE C=CCC(C)(C)CNCc1ccc(Cl)c(C(F)(F)F)c1 2236313032 SZLGXXDEQYQTPK-UHFFFAOYSA-N 305.771 5.051 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2237905577 SPSOZOWYXFYZEN-QGZVFWFLSA-N 314.300 6.084 30 10 DKEE N#Cc1ccc(SC23CC4CC(CC(C4)C2)C3)c(Cl)c1 2238174148 MDHJVFZDMNXNLZ-UHFFFAOYSA-N 303.858 5.273 30 10 DKEE CCCc1ccccc1Oc1c(Br)cccc1C#N 2269717290 JJXFKNGODSTGSO-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc(Cl)cc(Cl)c1 2284096167 QUNLYBYWTDSCLE-MRXNPFEDSA-N 310.268 5.250 30 10 DKEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CS[C@H](C)[C@H](C)S1 2287412649 FGFYQLMZCOUEAC-QZWWFDLISA-N 315.592 5.117 30 10 DKEE CCCOc1c(C)cc(C)cc1C(=O)C=Cc1sccc1C 2295967966 POAOQWNMKFWEEF-UHFFFAOYSA-N 314.450 5.358 30 10 DKEE C=CC[C@@H](C)SC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2335103989 TZKNLPLNLYQXHL-OTYXRUKQSA-N 322.276 5.091 30 10 DKEE C=CC[C@@H](C)Sc1ccc(F)c(Cl)c1CNCCC 2335243203 WTXVYEYJTFJDTE-LLVKDONJSA-N 301.858 5.035 30 10 DKEE C=CCC(CC=C)[C@@H](CSc1ccccc1Cl)NCC 2364068708 CYJCKQGFOGNPTE-MRXNPFEDSA-N 309.906 5.179 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H]1COCCCCCCCCCS 2369118235 GWXCSMXGCWFCKK-DLBZAZTESA-N 300.552 5.736 30 10 DKEE O=[N+]([O-])c1ccccc1NN=C1CCCC[C@H]1C1CCCCC1 5869369 OOWUMIPCSCAJMD-HNNXBMFYSA-N 315.417 5.133 30 10 DKEE Cc1ccc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)cc1C 50039146 ZSTZLHLCXHMNHV-CQSZACIVSA-N 318.203 5.100 30 10 DKEE CC(C)(C)[C@H](CS)CSc1ccccc1Br 87096768 VTWSUGJYFMGXBT-SNVBAGLBSA-N 319.333 5.133 30 10 DKEE CCCCCCCOc1ccc(NCc2cccs2)cc1 100033517 QJGNVYCANBNGGR-UHFFFAOYSA-N 303.471 5.709 30 10 DKEE CCCCCCCOc1ccc(NC(=O)CCCCC)cc1 100159864 AVXNCRCCSWGCFL-UHFFFAOYSA-N 305.462 5.555 30 10 DKEE CCCCCCCCCOc1ccc(/C=C/C(C)=O)cc1OC 104739668 KCCJNUFGYZJZFL-VAWYXSNFSA-N 318.457 5.427 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccc(Cl)cc1F 126210532 LPMGDNBVZUJILJ-KRWDZBQOSA-N 314.876 5.514 30 10 DKEE N#CC1([C@H](O)c2cccc(Cl)c2Cl)CCCCCCC1 156803664 XAOLTWVEJOQMBJ-OAHLLOKOSA-N 312.240 5.281 30 10 DKEE C=C(Br)COc1cc(C(C)C)c(Cl)cc1C 309429844 YZKMCYOVVMHGGJ-UHFFFAOYSA-N 303.627 5.059 30 10 DKEE C=C([C@H](NCCC)c1ccc(Cl)cc1Cl)C(F)(F)F 311906440 GQWUDDIMXULNBM-LBPRGKRZSA-N 312.162 5.153 30 10 DKEE C[C@](O)(c1c(Cl)cccc1Cl)C1(C#N)CCCCCC1 400844078 DAXTWAAXFFFHQP-HNNXBMFYSA-N 312.240 5.065 30 10 DKEE C=CCCCCC[C@@H](NCCC)[C@@H](C)OCc1ccccc1 404355857 NZUSWSMOLYTCLB-UYAOXDASSA-N 303.490 5.096 30 10 DKEE CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698852939 SYNWQDAQHWLLRF-QGZVFWFLSA-N 322.836 5.164 30 10 DKEE CC1(C)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698866105 HHEIWVWZAKKIIS-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C=CC(C)(C)CCNc1nccc2c(Br)cccc12 701882633 GQRNAZGWZUGSPU-UHFFFAOYSA-N 319.246 5.012 30 10 DKEE CCCCCCCCC[C@H](NC)c1snc(OC)c1Cl 708347424 VEUCKUPPDSNWGG-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE C=CC[C@H](C)Oc1c(Cl)cc(Cl)cc1CNCC(C)C 715065879 YASONMISZCLZOX-LBPRGKRZSA-N 316.272 5.082 30 10 DKEE CCCCCCCCC[C@@H](CCCOCc1ccccc1)NC 719126838 ACAFPLSNLPJLDX-NRFANRHFSA-N 319.533 5.712 30 10 DKEE C[C@H]1CC([C@H](C#N)c2ccc(Br)cc2)C[C@H](C)C1 719362936 XZVODJXPEZFLOE-XHBSWPGZSA-N 306.247 5.129 30 10 DKEE C/C(=N\OCc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 1857936409 KTFGAUKCNWGBHU-PTGBLXJZSA-N 315.416 5.603 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(C)cc1CNC(C)C 1914939642 WOWZEOOYWCDIQS-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@H](CC)NCC)cc1 1914962251 NGIBOBJFHBSPKU-QFIPXVFZSA-N 322.496 5.330 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)CC1(CC#N)CC1 1915380481 ZKNDUVQQMHAHSY-INIZCTEOSA-N 310.466 5.005 30 10 DKEE C[C@H](COCc1ccccc1)C[C@]1(C#N)CCCC(C)(C)CC1 1939900089 NURSQYDFSFXDLC-RXVVDRJESA-N 313.485 5.730 30 10 DKEE C=CC(C)(C)COCc1cc(Cl)c(C)c(Br)c1 2002345980 HKXBMMHRBKBILF-UHFFFAOYSA-N 317.654 5.140 30 10 DKEE C#CCCCC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2053236002 GYCAWUKBBHNEFF-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE C=CCCCC[C@@H](NCCC)c1scc(Cl)c1Cl 2059111571 LPXPVBYDXXFIND-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(C)ccc1Br 2059113823 DGMLQHSPLJCQCA-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCC[C@@H](CC)Oc1cc(Br)cc(C#N)c1 2086287484 WXVBXOPAHZILEB-CQSZACIVSA-N 310.235 5.058 30 10 DKEE CC[C@@H]1CCC[C@@H](Nc2cc(Br)cc(C#N)c2)CC1 2103205030 HIZFOQKYTNWQIE-IUODEOHRSA-N 321.262 5.092 30 10 DKEE CC1(C)CCCC[C@@]1(C)Nc1ccc(Br)cc1C#N 2103593741 DDEZONMPWLXNIO-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCCCC12CC2 2117002809 AZLMKRWFSJPNGC-QGZVFWFLSA-N 318.258 5.164 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1sccc1Cl 2142444961 ZPRPUNVUJGQANI-HNNXBMFYSA-N 300.895 6.132 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(C)c(Cl)s1 2142453963 WJLOHYJZENDXHK-CQSZACIVSA-N 300.895 6.050 30 10 DKEE C=C([C@H](NCCC)c1cc(C(F)(F)F)cs1)[Si](C)(C)C 2164263173 KDEWMJOHFYFYRJ-ZDUSSCGKSA-N 321.484 5.241 30 10 DKEE C=C[C@H](N[C@@H](c1cccs1)c1ccc(Cl)s1)C1CCC1 2197830777 PBLFDSBIDWGKKY-LRDDRELGSA-N 323.914 5.497 30 10 DKEE N#CC1(Cc2cscc2Br)CCCCCCC1 2214596203 OQMLJXQXVROBRD-UHFFFAOYSA-N 312.276 5.307 30 10 DKEE C=CCCCCCC[C@@H](N)Cc1cc(Cl)ccc1Cl 2225673752 JSTFOMORRVLKCJ-OAHLLOKOSA-N 300.273 5.390 30 10 DKEE CC(C)(C)[C@@H](CS)CSCCCCCCCC1CC1 2230872724 JLNNHIIKBHTOBO-INIZCTEOSA-N 302.593 6.062 30 10 DKEE CCCCCCCCCCOc1nc(Cl)ncc1Cl 2231020121 RWLYDAGVEABLNO-UHFFFAOYSA-N 305.249 5.303 30 10 DKEE CC(C)(C)C#CCCNCc1ccc(-c2cccs2)s1 2239114491 JUTOQTZKQPTENI-UHFFFAOYSA-N 303.496 5.006 30 10 DKEE C=CCSc1ccccc1NCc1csc(C2CC2)c1 2283079047 SBZOUVDJUNXFOV-UHFFFAOYSA-N 301.480 5.516 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(C(F)(F)F)c(Cl)c1 2287408414 IQNMWTNGNHNMAU-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE C=CCCCC[C@H](OCCCN)c1cccc(Cl)c1Cl 2293267637 AVGUIFKJXFCDJL-HNNXBMFYSA-N 316.272 5.146 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2294988887 ZHVKBIAQNCVKRZ-ZWNOBZJWSA-N 305.409 5.328 30 10 DKEE CCCC(CS)(CCC)Cn1nc(Cl)c2ccccc21 2296324885 NLYVMVRKYPPAJM-UHFFFAOYSA-N 310.894 5.206 30 10 DKEE CCCCCCCCC=CCCCCCCCCCC(=O)O 2296597410 BITHHVVYSMSWAG-UHFFFAOYSA-N 310.522 6.889 30 10 DKEE CCc1cc(OC[C@](C)(CS)C(C)(C)C)ccc1Cl 2352164599 AFLADOVMKYMPHS-MRXNPFEDSA-N 300.895 5.263 30 10 DKEE CC[C@@H]1CC[C@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2C)C1 2366101585 VSFMQLUVTICTMF-LYRGGWFBSA-N 312.240 5.055 30 10 DKEE C=C1C[C@@H]1[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2367654437 SILWEPLLTFXMGZ-DLBZAZTESA-N 312.284 5.260 30 10 DKEE CCCCCCCn1c(/C=C/c2ccco2)nc2ccccc21 102192546 SDFQAFJMGKPRNG-BUHFOSPRSA-N 308.425 5.770 30 10 DKEE CCCCCCCCCCCC[C@H](CC(F)(F)F)NCC 109729147 ZTCLBKMJCMOGNG-MRXNPFEDSA-N 309.460 6.228 30 10 DKEE CCCCCCCCCC[C@@H](O)c1c(Cl)cccc1Cl 115651791 DEZPOFCBMTUJEA-MRXNPFEDSA-N 317.300 6.558 30 10 DKEE CCCCCCCCCCC[C@@H](NCC)c1ccc(C)s1 115856570 ROBHFGUZBQCZMM-GOSISDBHSA-N 309.563 6.628 30 10 DKEE C=CCCCCCC(=O)c1cccc(Br)c1Cl 236024970 FBTOXLMOLLYURX-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE CCCCCCC[C@@H](O)c1cccc(Cl)c1C(F)(F)F 393421342 NNWLWVNIWITDFW-CYBMUJFWSA-N 308.771 5.753 30 10 DKEE CCCCCCCc1ccc(C(=O)C(F)(F)C(F)F)cc1 575357483 MZZPSNUNXHROFK-UHFFFAOYSA-N 304.327 5.283 30 10 DKEE CC[C@H](C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468783 MRGXLBVSKVRVSV-YOEHRIQHSA-N 316.445 5.065 30 10 DKEE CCc1c(CC#N)sc2ccc(SC(F)(F)F)cc12 725303805 YBVQWNRISVKCKW-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CC(=Nc1ccco1)c1ccc(N=Cc2ccc(Cl)cc2)cc1 1088679888 NDVLAJWYUVBBKN-UHFFFAOYSA-N 322.795 5.824 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)C[C@@H](C)CC 1917972215 CTMBEYORBAOTAP-FXAWDEMLSA-N 303.556 6.000 30 10 DKEE CCCCCCCCC[C@]1(O)C[C@H](C)N(Cc2ccccc2)C1 1919636602 QSDBRSDCOHWSRS-FPOVZHCZSA-N 317.517 5.153 30 10 DKEE CCCCCCC[C@@]1(O)C[C@H](C(C)C)N(Cc2ccccc2)C1 1919646266 DIECJMRHGKEPIB-NHCUHLMSSA-N 317.517 5.009 30 10 DKEE C=CCCN(CCC12CC3CC(CC(C3)C1)C2)Cc1ccccc1 2019346916 WPNZNNMIVAFWBZ-UHFFFAOYSA-N 323.524 5.671 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Br)cc1 2040529198 IOOCGROMIOTGDY-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(C)c(Br)o1 2059116214 ZFQDMTLYYDXXDL-ZDUSSCGKSA-N 314.267 5.138 30 10 DKEE N#Cc1cc(F)c(Nc2cc(Cl)cc(Cl)c2)cc1Cl 2120885381 WNFBMSDUGYZPSB-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCc1ccc(C#N)c(Sc2ccc(Cl)cc2Cl)c1 2132306044 ADKDPGNVLOTEAA-UHFFFAOYSA-N 308.233 5.579 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1Cl 2136600013 PDHQCBHHYFYFSW-HNNXBMFYSA-N 322.707 6.397 30 10 DKEE C=C([C@@H](NCC)c1cc(-c2cccs2)cs1)[Si](C)(C)C 2164122415 KLLZNFOJYSLYFD-MRXNPFEDSA-N 321.587 5.561 30 10 DKEE CCCCCCCCn1c(Cl)nc(Cl)c1CNCCC 2175468687 QYBZLTQOTYHMDD-UHFFFAOYSA-N 320.308 5.050 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)c(F)cc1F)[Si](C)(C)C 2179366064 XEHPPGOCXZWBAQ-HNNXBMFYSA-N 317.883 5.093 30 10 DKEE C=C([C@@H](NC)c1ccc(-c2ccccc2)s1)[Si](C)(C)C 2206187417 PZFJIMUDMIFTJZ-QGZVFWFLSA-N 301.531 5.109 30 10 DKEE C=CCCCCCC[C@](N)(CC)c1ccc(Cl)c(Cl)c1 2206884853 JGWVSPFDDPVXPE-QGZVFWFLSA-N 314.300 6.084 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@H](O)c1cc(Cl)cs1 2207436419 KQIPDOSHXVNZFG-HOCLYGCPSA-N 315.910 5.069 30 10 DKEE C=C[C@H](CCCCC)OCc1sccc1Br 2212497424 HMMRASICCJJBGM-LLVKDONJSA-N 303.265 5.162 30 10 DKEE C=C(Cl)C[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2220273764 JATUJAQFJGCBQL-LBPRGKRZSA-N 306.664 5.047 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cccc(Cl)c1Cl 2235522402 TZMHDMYIKWSXPU-INIZCTEOSA-N 314.300 6.171 30 10 DKEE C=CCCCCCCCSCc1ccc(Cl)nc1Cl 2271591230 PWMYLHXNWNLUPH-UHFFFAOYSA-N 318.313 6.148 30 10 DKEE C=CCCCCCCCSCC(CS)(CCC)CCC 2287193065 OGCMDWZHZJKXGY-UHFFFAOYSA-N 316.620 6.763 30 10 DKEE Cc1cc(N[C@H](C)c2cccc(C#N)c2)c(Cl)cc1Cl 2294756379 HDAFXKJCPYNKTL-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@H](C)CSC(C)(C)C 2295691338 KQUYWHDWLGLVPF-IAGOWNOFSA-N 301.584 6.025 30 10 DKEE CCCCCCCOc1c(Cl)cc(C[C@H](C)N)cc1Cl 2296287466 WVLXTKNQOBLXMP-LBPRGKRZSA-N 318.288 5.232 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCCC)c1c(F)cccc1Cl 2360328698 WNLKEAVXXJYCRZ-SWLSCSKDSA-N 315.885 5.218 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2364096099 SERWBZCKGQSYHW-KRWDZBQOSA-N 312.284 5.803 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 2368151165 ZFEBLBOTUXMQOK-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cscc1C(F)(F)F 2370518173 IGLVINQARQSOLE-CYBMUJFWSA-N 305.409 5.410 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1C(C)(C)C 83192526 JUMMHXKRWOJUMQ-ACCUITESSA-N 322.448 5.587 30 10 DKEE CSc1ccc(Cl)cc1C(=O)/C=C/c1ccc(F)cc1 83193143 RANUNLWGNRTGNO-XBXARRHUSA-N 306.789 5.097 30 10 DKEE CCCCCCCNC[C@H](CC)Oc1ccccc1[C@@H](C)CC 100027430 RKMIXIPPNOVGCJ-OALUTQOASA-N 319.533 5.918 30 10 DKEE CCCCCCCOc1ccc(NC(=O)c2cccs2)cc1 100155229 CFUIPYAJMCGCGI-UHFFFAOYSA-N 317.454 5.350 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CSC1CCCC1 115646541 PQZYTJSZRSTLAB-GOSISDBHSA-N 314.579 6.334 30 10 DKEE CCCCCCCCc1n[nH]c(N)c1-c1cccc(Cl)c1 115858205 KOJSZMKYSVSJOX-UHFFFAOYSA-N 305.853 5.215 30 10 DKEE CCCCCCCC[C@H](O)Cc1cc(Cl)ccc1Cl 123055420 QNFZDKYKQSCUJU-HNNXBMFYSA-N 303.273 5.647 30 10 DKEE FCCCCCCCCCCC#CCCO[C@@H]1CCCCO1 146460864 FWMBMAAUYQVPNQ-IBGZPJMESA-N 312.469 5.404 30 10 DKEE CCSc1cccc(NCCc2ccc(Cl)s2)c1C#N 226256654 LLKIDSHYABCEEW-UHFFFAOYSA-N 322.886 5.040 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1cccc(C)c1)[C@H]1CC=C[C@@H]21 226883621 XLEMSSFYSAUHKR-LVCYWYKZSA-N 317.432 5.386 30 10 DKEE CCCCCCCC[C@H](NC)c1cscc1Br 229834296 LKOKVBMSTATVRL-AWEZNQCLSA-N 318.324 5.522 30 10 DKEE Cc1c(Br)cccc1Nc1cccc(Cl)c1C#N 232244797 DWDZTUCIZLVVAU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE N#Cc1c(F)cccc1Nc1cc(Cl)c(Cl)c(Cl)c1 404245855 FYEQSGRPAOWPQM-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CC(C)c1ccc(OCCO/N=C(/c2ccccc2)C2CC2)cc1 821226284 DZSIVCHLYFCKOK-DQRAZIAOSA-N 323.436 5.020 30 10 DKEE N#Cc1cc(-c2c(Cl)cc(Cl)cc2Cl)ccc1Cl 1848372903 OBDRIXCABDIKSQ-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccccc2Cl)c1 1874594932 LABXBZSBWLBJTF-ZHACJKMWSA-N 300.785 5.025 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2F)c(Cl)c1 1893159046 KGTCXGMEJLUXTG-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCCNc1cc(F)ccc1Br 2026015108 PYDROEPVTCKMID-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCC[C@@H](C)C1 2027195716 SSKOXANESDSTTD-MLGOLLRUSA-N 306.247 5.020 30 10 DKEE SCCCCCCCCCSCc1ccc(Cl)o1 2028949060 OIUOSANJBGHTQT-UHFFFAOYSA-N 306.924 5.827 30 10 DKEE C=C([C@H](NCC)c1cc(Br)ccc1C)C(C)(C)C 2035436237 XFMQGDULNCGQKF-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE N#CC1(Sc2ccc(Br)cc2)CC(CC2CC2)C1 2050056167 BYQPBZJHVXULDH-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE FC(F)c1c(Cl)ccc(C(F)(F)F)c1OC(F)(F)F 2054959853 QBLDSSBORSVLJQ-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](C)c1ccc(C(C)C)cc1 2070162052 VITGZXAOOKUQMZ-KRWDZBQOSA-N 314.432 5.264 30 10 DKEE C=C([C@H](NCCC)c1cccc(Br)c1C)C(C)(C)C 2096632126 MPLMKMBWPDRQTN-INIZCTEOSA-N 324.306 5.401 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2c(Cl)cccc2Cl)C1 2168549502 XMDOZHIMEAGDOZ-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE CC#CCCC[C@H](NCCC)c1csc(C(F)(F)F)c1 2194062420 DJQWQVBNSKBTKZ-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCCCCCCCNc1ccc(F)c(Cl)c1F 2200732554 QKSXUTGAGGRQEI-UHFFFAOYSA-N 303.824 6.171 30 10 DKEE CCCC#CC[C@H](NCCC)c1cc2sc(C)cc2s1 2203787186 JPPKDKKMNMRQFG-AWEZNQCLSA-N 305.512 5.506 30 10 DKEE C=CCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203974136 HMRGEMLCVSGPMR-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE C=CCCCCCCC[C@H](O)CSc1ccc(Cl)cc1 2235524262 OISQTAAUIDXAHR-INIZCTEOSA-N 312.906 5.710 30 10 DKEE CCCCCCCC[C@](C)(N)Cc1c(Cl)cccc1Cl 2240611332 IXQYTOSUGCJUKV-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Br)c(F)cc1C 2258092173 PGEZKPGZTOGORK-OAHLLOKOSA-N 316.258 5.257 30 10 DKEE C=C(C)CCCC[C@](C)(O)c1ccc(C)c(Br)c1 2259211310 SOCFGTDZLSHSLN-INIZCTEOSA-N 311.263 5.102 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(C)cc(Br)c1 2259231893 ROPPGVNHJYMOPB-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC(C)(C)C#CC=CCCC(=O)c1ccccc1Br 2268734537 BVQUYGBTJOTULC-UHFFFAOYSA-N 319.242 5.018 30 10 DKEE CCCC#CC[C@H](NCCC)c1ccc(C(F)(F)F)s1 2295259476 XCOXEWAVPPJHPY-LBPRGKRZSA-N 303.393 5.001 30 10 DKEE C=C(Br)CO[C@H](CC)c1ccc(C(F)(F)F)cc1 2320620125 DBXYSRDHBXYNEK-GFCCVEGCSA-N 323.152 5.082 30 10 DKEE CC1CCC(C=O)(Cc2cc(F)c(Cl)cc2Cl)CC1 2349879473 FJRJCYGQLZVMJG-UHFFFAOYSA-N 303.204 5.070 30 10 DKEE CCCCCCC[C@H](NC)c1c(Cl)cc(C)cc1Cl 2352811854 AOWPELMVCZHDCY-HNNXBMFYSA-N 302.289 5.923 30 10 DKEE C=CCC(CC=C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2364096900 ZUWJZPSMVJLGDY-QGZVFWFLSA-N 312.284 5.282 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2365803356 NBEAUFGUTDSBGT-CYBMUJFWSA-N 315.910 5.587 30 10 DKEE CCCC#CC[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366415760 VQVJAPFZZOBAFY-OAHLLOKOSA-N 316.247 5.367 30 10 DKEE CCCCCCCC[C@H](C)NCc1ncc(C(F)F)s1 2369597874 IIUNEHAYQVOWFV-LBPRGKRZSA-N 304.450 5.309 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cc(F)c(Cl)cc1Cl 2377430112 UBPLDPKROQFDRN-LSDHHAIUSA-N 318.219 5.276 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 20758157 HHJMNLKEPZHJIP-FUHIMQAGSA-N 303.405 5.078 30 10 DKEE Cc1cc(C)c2c(c1)c(C#N)c(Cl)n2CCc1ccccc1 71465708 XTOBQRCAYCCACK-UHFFFAOYSA-N 308.812 5.026 30 10 DKEE CC(C)(C)c1nc(CSC2CCCCC2)sc1CC#N 82439759 XTCOFRQSZGEDMY-UHFFFAOYSA-N 308.516 5.073 30 10 DKEE O=C(/C=C/c1ccc(F)cc1)c1cc2cc(Cl)ccc2o1 83201509 SDHPUCGYABYJAP-XVNBXDOJSA-N 300.716 5.121 30 10 DKEE CCCCCCCCOc1ccc([C@@H](CC)NCCCC)cc1 100047579 CBAJVEDQVJOVPY-OAQYLSRUSA-N 319.533 6.267 30 10 DKEE CCCCCCCCCCCC(=O)Nc1nc(C)c(C)s1 105503602 UJWAACKVWXTFML-UHFFFAOYSA-N 310.507 5.619 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Br)c(F)c1 115071828 BJKVHSNTWHAXTK-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE N#Cc1oc2ccccc2c1OCc1c(Cl)cccc1Cl 126013886 QMDHCEMPEJBCSF-UHFFFAOYSA-N 318.159 5.190 30 10 DKEE CCCCCCCC[C@@H](NC)c1occc1Br 166421427 OTPDTQNRFYYODV-CYBMUJFWSA-N 302.256 5.053 30 10 DKEE CCCCCCCC(=O)c1c(F)cccc1Br 169154658 XTXDAELYKHGHTG-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE CCCCCCCCCOc1ccc(/C=N/N(C)C)c(Cl)c1 169881555 YGQKLMOIPAPJEM-HMMYKYKNSA-N 324.896 5.365 30 10 DKEE CCCCCCCCCOc1ccc(C)c(Br)c1 394748796 ZSHJYARWGYZRSO-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE CC(C)c1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)C(C)C)cc1 698413334 CMZHPSLMKVDASY-QGZVFWFLSA-N 316.445 5.020 30 10 DKEE CCCCCCCCCNC(=O)c1cc2c(Cl)cccc2[nH]1 1860187604 GFHFHULIKDCWMN-UHFFFAOYSA-N 320.864 5.302 30 10 DKEE CCCCCCCC[C@]1(O)CC(C)(C)[C@H]1OCc1ccccc1 1939580685 XMJPOROLNUOCCA-CTNGQTDRSA-N 318.501 5.483 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Br)sc1C 1946701468 XOXLEWDCHVUXCM-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CC(C)c1ccccc1[C@H](C#N)N(C(=O)OC(C)(C)C)C(C)C 1982107755 JPEZPLAJNLAGQA-KRWDZBQOSA-N 316.445 5.020 30 10 DKEE CCCCCCCCCCC(=O)OCCOCc1ccccc1 1983395585 SSMVKLPXYGGUCU-UHFFFAOYSA-N 320.473 5.277 30 10 DKEE C=CCCCC[C@H](NCC)c1ccccc1OCc1ccccc1 2009493117 FLMZEYVSIOYBQX-NRFANRHFSA-N 323.480 5.663 30 10 DKEE CC[C@](C#N)(Cc1cccc(Br)c1Cl)C(C)C 2012416868 OEFKACTWILHCPI-CQSZACIVSA-N 314.654 5.221 30 10 DKEE C=CCCCCCN(C)[C@@H](C)c1cc(Br)cs1 2013629295 CWAUANGVPJZUSB-LBPRGKRZSA-N 316.308 5.250 30 10 DKEE C=CCCCCCNc1ccc(Br)c(Cl)c1C 2023978775 XCKXXOMFTVTPCJ-UHFFFAOYSA-N 316.670 5.569 30 10 DKEE C=CCCCCCC[C@@H](N)c1cccc(OCc2ccccc2)c1 2026017540 PIMVTUBXGDAMRG-JOCHJYFZSA-N 323.480 5.792 30 10 DKEE CC#CCCCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2075362693 LHTRYLYNWWMDLD-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCCCCCCCCC[C@@]1(C(=O)O)CCS[C@H](C)C1 2159712519 NSXRIHWMFMOAHH-NVXWUHKLSA-N 300.508 5.504 30 10 DKEE CCC1(OCc2c(Cl)cccc2Cl)CCC(=NO)CC1 2161470959 KIRPJDDOIUROMQ-UHFFFAOYSA-N 316.228 5.063 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@H](CS)C1CCC1 2217708649 SOVFWBGPWODGNK-LLVKDONJSA-N 305.270 5.027 30 10 DKEE C=CCCCCCC[C@@H](O)Cc1cc(Cl)ccc1Cl 2225665211 BTDVUEOFPWAMHW-OAHLLOKOSA-N 301.257 5.423 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(F)ccc(Cl)c1F 2235514805 YEJYCAIDVCRXPB-AWEZNQCLSA-N 301.808 5.535 30 10 DKEE CCCCCCCC[C@@H](C)Nc1c(C)cc(Cl)nc1Cl 2240654236 POMYTUPLMGPHOQ-CYBMUJFWSA-N 317.304 6.248 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(N)c1cc(Cl)sc1Cl 2268728357 NIWWKFFJLXEWFV-OAHLLOKOSA-N 316.297 5.225 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(N)c1c(Cl)cccc1Cl 2284092222 XAPNZIVTYGYJKM-KRWDZBQOSA-N 310.268 5.163 30 10 DKEE CCCCCCC[C@H](O)[C@H](NCCC)c1cc(Cl)cs1 2290368255 KKJSWLPPKFYFIW-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@H](CC(C)(C)SC)OCCN 2294457257 AWNCQKDOXZXCEG-MRXNPFEDSA-N 303.556 5.003 30 10 DKEE C=CCCCCC[C@@H](NC)c1sc(C(F)(F)F)cc1C 2295001995 RZBPWNIRQATYOW-GFCCVEGCSA-N 305.409 5.472 30 10 DKEE CC(=NOCc1ccccc1Cl)c1ccc(C(C)C)cc1 2318633472 DZOAYKZHCNVTMA-UHFFFAOYSA-N 301.817 5.404 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(Cl)cc1Cl 2344336014 FPQQOBDDOXBAKH-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)c(Cl)c(Cl)c1 2344339829 MKSKKGNCUHXZPH-HUUCEWRRSA-N 320.691 5.900 30 10 DKEE N#C[C@]1(CCCc2cc(Cl)cc(Cl)c2)C[C@H]2CC[C@H]1C2 2366900537 PSEGGORQIORTCU-ZQIUZPCESA-N 308.252 5.646 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2370533581 KGILUULZVWTHLF-KGLIPLIRSA-N 305.771 5.351 30 10 DKEE COc1ccc(Cl)cc1CC1(C#N)CCC(C(C)C)CC1 87960259 ASIIKACYYINSSN-UHFFFAOYSA-N 305.849 5.247 30 10 DKEE CCCCCCCCC(=O)c1cc(Br)cs1 112537738 JRGVAFMGYXLUFV-UHFFFAOYSA-N 303.265 5.444 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1 115856468 FAWHODZPDQZLRF-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(Cl)cc(Cl)c1 122230159 OQYJXRDZTVFOCK-INIZCTEOSA-N 317.304 5.639 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CCCCS1 157637302 VGDSRSOIQAVYJI-MSOLQXFVSA-N 300.552 5.944 30 10 DKEE Cc1cccc(C(=O)/C=C/Nc2ccc(Cl)cc2Cl)c1 209952826 KSMPMCWGRSZCNL-BQYQJAHWSA-N 306.192 5.110 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@@H](C)c2ccc(Cl)cc2)C1 222806867 SFOPNFZVNSCEER-MMNPAVHPSA-N 304.865 5.051 30 10 DKEE C[C@H](Nc1cc(Cl)c(F)c(Cl)c1)c1ccc(C#N)cc1 232027464 NGUJVYINFHWMRW-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCn1c(S)nc2cc(F)c(Cl)cc21 232940070 GMVLJWRYBDPOSP-UHFFFAOYSA-N 314.857 5.478 30 10 DKEE C=C(CNc1cccc(OCc2ccccc2)c1)c1ccccc1 310372306 XRXBIAUTJZXGQG-UHFFFAOYSA-N 315.416 5.391 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)cc2Cl)C1 322684186 IWXOOVGXTASDIE-BFVZDQMLSA-N 300.254 5.414 30 10 DKEE Cc1ccc(N=C/C=C2\N(C)c3ccccc3C2(C)C)c(Cl)c1 606348059 OHTQFOLRCAQXLU-ZZGZBPTQSA-N 324.855 5.662 30 10 DKEE C#CCCCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 686700818 HDDODIQZXRZSTI-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CCCC(CS)(CCC)COc1cccc(Cl)c1C 702654683 OZRUBNOJTNBNSQ-UHFFFAOYSA-N 300.895 5.544 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 715716603 ARDHYIMGODBENZ-PGRDOPGGSA-N 323.480 5.519 30 10 DKEE CCCCCCCC[C@H](N)C[C@@H](C)COCc1ccccc1 719195109 PZROICRBQVEGDQ-QUCCMNQESA-N 305.506 5.307 30 10 DKEE CCCCCCCCCCCC[N@+](C)(N)Cc1ccccc1 1614678429 SWJAQHXVMGDDJZ-QFIPXVFZSA-N 305.530 5.428 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)c1ccc(Cl)cc1 1917865387 CLDWJGQLTCMINY-HXUWFJFHSA-N 315.910 5.886 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@H]1CCC[C@H]1C(F)(F)F 1962675637 UURAJHZOBNMGKA-IAGOWNOFSA-N 311.391 5.043 30 10 DKEE C=CC[C@H](CC)N[C@@H]1CCC(C)(C)C[C@@H]1OCc1ccccc1 1977483895 FOURYWLLIOXGGV-ZCNNSNEGSA-N 315.501 5.095 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@@H]1CCCc2ccccc21 1990797887 YPNFWTOVCILAMZ-NRFANRHFSA-N 305.465 5.185 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Cl)cc(Br)c1 2007984285 QZXXCGOJALYYIK-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CC[C@@H](c1ccccc1C)n1nc(C2CCCCC2)cc1C#N 2070115933 BRHNPDGWAIGXGV-FQEVSTJZSA-N 307.441 5.110 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc(Cl)ns1 2110892331 ABYLTSCWNWKUIL-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE CCCCCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1F 2139484895 KYQBHGMOLDQWTI-CYBMUJFWSA-N 307.236 5.917 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc(Cl)c(Cl)s1 2142432191 QRBWRBDFRSFGSY-ZDUSSCGKSA-N 320.329 6.362 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1cc(Cl)sc1C 2154477174 DUCDIZKRMRKMJJ-MRXNPFEDSA-N 316.938 6.664 30 10 DKEE CCCCCCCCC[C@H](N)c1ncc(C(F)(F)F)s1 2156049106 HOYLCHDABCWFMR-NSHDSACASA-N 308.413 5.302 30 10 DKEE C=C([C@@H](C[C@H](C(F)F)C(C)(C)C)NCCC)[Si](C)(C)C 2167708140 XASZRVOMIXLOTP-ZIAGYGMSSA-N 305.529 5.106 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H](O)c1cscc1Cl 2207382958 XSKBOYKTSKCRRB-INIZCTEOSA-N 314.878 5.311 30 10 DKEE C=CCCCCCCCC[C@H](O)c1nn(C)c(Cl)c1Cl 2207405231 WPPQMSXMGMAUHQ-LBPRGKRZSA-N 319.276 5.067 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@H](O)c1csc(Cl)c1 2207430847 ZALJEDABWDRTRO-GDBMZVCRSA-N 315.910 5.069 30 10 DKEE C=CCCCCCCCNc1c(Cl)ccc2nsnc12 2235521354 IROCQHYNXSJWAS-UHFFFAOYSA-N 309.866 5.283 30 10 DKEE Cc1csc(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)c1C 2235757505 MBCRKDHDPNBUAR-LLVKDONJSA-N 324.232 5.162 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(Cl)c(C(F)(F)F)c1 2236292172 MEIJVCBWXYPRQM-CYBMUJFWSA-N 309.734 5.273 30 10 DKEE CCCCCCCCNc1ccc(F)c(F)c1Br 2256164740 FFNPVYVYOSADOB-UHFFFAOYSA-N 320.221 5.500 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(Cl)c(OC)cc1Cl 2281533790 OAJQJORPQOGGCW-OAHLLOKOSA-N 316.272 5.399 30 10 DKEE C=CCCCCCCCSCC1CCC(F)(CN)CC1 2287186672 ZNTGYAYJDAGDQY-UHFFFAOYSA-N 301.515 5.103 30 10 DKEE CSc1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)cc1 2296876127 XOGXHMDLMSLALZ-UHFFFAOYSA-N 311.450 5.340 30 10 DKEE C#CCN(Cc1ccccc1)C[C@@H](c1ccccc1)C1CCCC1 2303147206 MEKAXEIBKFAELG-QHCPKHFHSA-N 317.476 5.096 30 10 DKEE CCCCCCCC[C@](C)(O)c1c(Cl)cc(F)cc1Cl 2360421033 NAMPDBSZYAFSGU-INIZCTEOSA-N 321.263 6.091 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H]1CCSc2ccc(Cl)cc21 2362239176 KZOZBWTTWUAPFW-KCXAZCMYSA-N 307.890 5.211 30 10 DKEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1C 2365085502 USWOEDVKRWZUNQ-IUODEOHRSA-N 310.268 5.002 30 10 DKEE C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc(OCC#N)cc1 37196782 ALMJEVOGIKIZRU-LLVKDONJSA-N 321.207 5.069 30 10 DKEE CCCCCOc1ccccc1CCCNc1ccc(C#N)cc1 76317307 SOLQMMHTFJDJHA-UHFFFAOYSA-N 322.452 5.172 30 10 DKEE CCCCCCCC[C@H](CNC(C)C)c1ccccc1Cl 118864167 VESJCCFUJMGQNN-QGZVFWFLSA-N 309.925 6.172 30 10 DKEE CCCCCCCCC[C@H](NN)c1c(F)cccc1Cl 122190112 YVXHPYQLFDILGN-HNNXBMFYSA-N 300.849 5.124 30 10 DKEE CCC(C)(C)c1ccc(Oc2cc(C#N)cc(Cl)n2)cc1 122558164 BUHJIHWDBZJDFP-UHFFFAOYSA-N 300.789 5.087 30 10 DKEE CCCCCCCCCCCCC(=O)[C@@H]1CSCCS1 122618238 HRGLCHMIFPBZIR-KRWDZBQOSA-N 316.576 5.715 30 10 DKEE N#Cc1ccc(Cl)cc1N[C@@H]1CCCc2sc(Cl)cc21 127637099 FQGMFUOTXCUERN-GFCCVEGCSA-N 323.248 5.416 30 10 DKEE N#Cc1ccc(Cl)cc1OCc1cc(Cl)ccc1Cl 129030797 RNPQPJSDNLXEMZ-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCCCOc1cc(Cl)ccc1C(=N)N 129289988 RMPOJKDTXYFEKL-UHFFFAOYSA-N 310.869 5.144 30 10 DKEE CCSc1cccc(Oc2ccc(F)cc2Cl)c1C#N 136713420 BRKVESKSOXODNE-UHFFFAOYSA-N 307.777 5.255 30 10 DKEE CCCCCCCCCC[C@H](CCCCC)c1ccccc1 205296486 NHVDXOZMZHYLAS-NRFANRHFSA-N 302.546 7.881 30 10 DKEE Cc1ccc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)c(C)c1 252435164 IJZDNPBMXPFVMT-LZLYRXPVSA-N 301.499 5.750 30 10 DKEE Cc1ccc(O)c(N=Cc2c3ccccc3cc3ccccc23)c1 257353710 SSAZJQLLKBUADP-UHFFFAOYSA-N 311.384 5.758 30 10 DKEE Fc1ccc(C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1 514260661 ZORSVLNMPNINHK-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCCCCCCCCCCC[C@]1(O)CC[C@@H](C)SC1 689400017 GLCPBIFEPKVIQE-MSOLQXFVSA-N 300.552 5.944 30 10 DKEE CSc1cccc(Nc2cc(C)c(Cl)c(C)c2)c1C#N 690241193 KKYDUFKORSNFEO-UHFFFAOYSA-N 302.830 5.294 30 10 DKEE O=C1/C(=C\c2c(Cl)ccc(Cl)c2Cl)Nc2ccccc21 1088707553 ZLTBYDZYISINHV-NTUHNPAUSA-N 324.594 5.296 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(C)c(Br)o1 1917610686 REBWDSIHULIKDU-CYBMUJFWSA-N 317.267 5.525 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(Br)cs1 1995171973 VELSQVCNBSYHEX-GFCCVEGCSA-N 303.265 5.071 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(Cl)ccc1Br 2009480685 AVRVHCVFHODUPP-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCC#CC[C@H](NC)c1ccccc1OCc1ccccc1 2024388089 UOTJPWJYLYPYQJ-NRFANRHFSA-N 321.464 5.110 30 10 DKEE C=C(Br)CCN(C)[C@@H]1CCCCC12CCCCC2 2047540041 MAZXNPKUBVUJAU-OAHLLOKOSA-N 314.311 5.110 30 10 DKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 2053613024 VRHMZLUAWVZCKQ-UHFFFAOYSA-N 317.171 5.636 30 10 DKEE Cc1cc(CSc2cc(Cl)cc(Cl)c2)ccc1C#N 2097181886 KOQUSDPCYNAYRB-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@@](C)(=O)CC1=O 2172987853 MEFBKDAPNFDEFX-OXQOHEQNSA-N 300.423 5.489 30 10 DKEE C[C@](F)(CNc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F 2191849023 ZQDJLROZNNTWCE-VIFPVBQESA-N 323.639 5.061 30 10 DKEE CCCCCCCC[C@@H](NN)c1c(C)ccc(Cl)c1F 2201791741 AJHTUPMKVBSUBD-CQSZACIVSA-N 300.849 5.043 30 10 DKEE C=CCCCSCc1cc2ccc(OC)cc2nc1Cl 2287078202 OKFXFGZHUHJEFT-UHFFFAOYSA-N 307.846 5.096 30 10 DKEE C=CCCCCCCCSc1nc(Cl)ccc1C(=O)O 2287092387 UHVWDQFXGWMNDK-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(Br)c1Cl 2304041349 NENZRWUXYJXAPR-UONOGXRCSA-N 316.670 5.095 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(OCc2ccccc2)cc1 2304042075 SXPQWDAAUYOIOJ-FGZHOGPDSA-N 323.480 5.519 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2cc(C)ccc2C)c1 2323166438 BDCPURYBBKSIJD-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE Cc1c(C(=O)C2=CCC(F)(F)CC2)ccc(Cl)c1Cl 2339152858 KHPLLISAIYSLME-UHFFFAOYSA-N 305.151 5.230 30 10 DKEE C=CCC[C@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2341114277 ZOFNHJOBTGOMKF-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CCC(C)(C)[C@H](Cc1cc(Cl)ccc1Cl)NCC 2344358792 WMXISHLMXIBNJC-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCCC)c1cc(F)cc(Cl)c1 2360209103 YEAAUFIOOQWPKL-MLGOLLRUSA-N 315.885 5.218 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2ccc(Cl)c(Cl)c2C)C1 2364266354 XFVZXILBYSRSIA-DYVFJYSZSA-N 313.268 5.630 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2365804022 BNCXOHDAOTWXPF-ZDUSSCGKSA-N 313.894 5.035 30 10 DKEE C=C1CC([C@H](Cc2cc(F)c(Cl)cc2Cl)NCCC)C1 2377392128 KKQLTAASZYEHMI-INIZCTEOSA-N 316.247 5.009 30 10 DKEE O=C1/C(=C\c2ccccc2)CCC/C1=C/c1ccc(Cl)cc1 1512646 JVNRKLUOBQCOLV-JTFWXBGUSA-N 308.808 5.560 30 10 DKEE CN(CCC#N)c1ccc(/N=N/c2ccc3ncsc3c2)cc1 5140688 ZJMFUDSDHHVADM-QZQOTICOSA-N 321.409 5.062 30 10 DKEE C=C(C)COc1ccccc1C(=O)Nc1ccccc1C(C)C 9877999 UGXGVLLAOPYQEE-UHFFFAOYSA-N 309.409 5.017 30 10 DKEE O=C1/C(=C\C=C\c2ccco2)CCC/C1=C\C=C/c1ccco1 33924434 SHPLADCLSRWYLI-NLPZCGQJSA-N 306.361 5.205 30 10 DKEE CCCCCCCCNc1ccc(C#N)cc1Br 59460176 GGLXQYNMRKTRBR-UHFFFAOYSA-N 309.251 5.093 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(Br)cc2)C1 87972681 PICIWXUOQHLPMD-CZUORRHYSA-N 306.247 5.102 30 10 DKEE CCC1(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CCCC1 94902795 SVPCZWZGWGCOMK-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE CCCCCCCC(=O)c1c[nH]c2cc(Br)ccc12 103997648 YACWLJZRJJISIJ-UHFFFAOYSA-N 322.246 5.474 30 10 DKEE CCCCCCCCCCCCSc1ccc(N)cc1C 110324240 RSLIAFDLZCBQEN-UHFFFAOYSA-N 307.547 6.590 30 10 DKEE CCCCCCCCCCC[C@H](NCC)c1ccc(C)s1 115856567 ROBHFGUZBQCZMM-SFHVURJKSA-N 309.563 6.628 30 10 DKEE CCCCCCCCC[C@@H](NC)c1c(Cl)cnn1C(C)C 126934649 DOEBYXHQTQINMC-MRXNPFEDSA-N 313.917 5.519 30 10 DKEE N#Cc1c(Br)cccc1Oc1cccc2ccccc12 168620598 GRAWOYBCSDVGPG-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(F)c(F)c1F 229274785 JAPZLFANAMRTHP-HNNXBMFYSA-N 302.380 5.668 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Cl)cc(F)c1F 709204311 OZKCWSLMJKMEMY-HNNXBMFYSA-N 301.808 5.405 30 10 DKEE C=CCCC(C)(C)CNc1cc(C(F)(F)F)cc(Cl)n1 709457226 RJFGQCYCORUAOM-UHFFFAOYSA-N 306.759 5.158 30 10 DKEE CCCCCCCCCC[C@H](O)CCCNCc1ccccc1 1915221529 BCRZCRKGURSPKM-NRFANRHFSA-N 319.533 5.448 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(Br)c(C)s1 2000356346 QUGZWSUNFGMRGK-YGRLFVJLSA-N 316.308 5.072 30 10 DKEE CC(C)CC[C@H](C)[C@H](C#N)c1ccc(F)cc1Br 2065479402 IBWNATJRPPCVHT-FZMZJTMJSA-N 312.226 5.268 30 10 DKEE C=CCCCCCCC(=O)c1ccc(C)cc1Br 2085848574 BIPUNNIVWWBFRI-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(F)c(Br)c1 2085915254 DWCUEKYTGANMLE-HNNXBMFYSA-N 315.226 5.148 30 10 DKEE Cc1ccc(C[C@@]2(C=O)CCCC(C)(C)C2)cc1Br 2112205950 HBQYRJCZNSLJOP-KRWDZBQOSA-N 323.274 5.086 30 10 DKEE Cc1ccc(C(=O)C2=CC[C@H](C(C)C)CC2)cc1Br 2125203735 MOKCFCRJGLVONM-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE C[C@@H]1C[C@@](C#N)(CC2CCC(C(F)(F)F)CC2)CCS1 2159721280 VBQFAFPASXNTMO-BLYZHGLHSA-N 305.409 5.171 30 10 DKEE CCCCCCCCCC[C@@]1(N)CC[C@@H](P(C)(C)=O)C1 2160795163 ZTHZEWHPWTZKCB-IAGOWNOFSA-N 301.455 5.390 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2203425918 LWVFHULXFVZNMN-AWEZNQCLSA-N 316.272 5.399 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1ccc(Br)cc1C 2221727104 LEBMCEJBVQAUFY-LRDDRELGSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCC[C@H](O)c1c(Cl)cncc1Cl 2227275944 ZNDSIGCZDFEUCV-AWEZNQCLSA-N 302.245 5.339 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccc(C)c(Br)c1C 2271842131 SPVDWOUTEIIHCY-INIZCTEOSA-N 324.306 5.463 30 10 DKEE COc1c(C(=O)C2=CC[C@H](C(C)(C)C)CC2)csc1Cl 2284304558 KSKNLOVHXXRMKR-NSHDSACASA-N 312.862 5.365 30 10 DKEE C=CCCCCCCCSc1ccsc1CNCCC 2287063446 QOSAAQCRUUYPEC-UHFFFAOYSA-N 311.560 5.866 30 10 DKEE CC(C)C[C@@H](CS)CSc1cc(Cl)ccc1Cl 2308062763 RUMWBQWPAANPQX-JTQLQIEISA-N 309.327 5.678 30 10 DKEE C=C[C@H](C)C[C@H](CCCc1cc(Cl)cc(Cl)c1)NC 2341152047 JQVKNZPLYWQQPD-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCNCc1cc(Cl)cc(Cl)c1 2341224764 MWWSBJRIPMYZBF-UHFFFAOYSA-N 302.289 5.834 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(Cl)c(Cl)c1OC 2344420267 KXWRBFFFPKPCSW-OAHLLOKOSA-N 301.213 5.177 30 10 DKEE C=C1CC([C@H](NCCC)c2cc(F)c(Cl)c(Cl)c2)C1 2352386946 QBFBDABNBYLSPH-HNNXBMFYSA-N 302.220 5.139 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1C[C@@H](SC)C1 2360921182 JCQKWZHSFDIAHI-KSZLIROESA-N 300.552 5.800 30 10 DKEE Cc1csc(S[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2C#N)n1 37155784 IAOZYIWKYLRCNL-BZUAXINKSA-N 314.479 5.020 30 10 DKEE Cc1ccc(C)c(Sc2ccc(C#N)c(C(F)(F)F)c2)c1 37306509 HEDGYXIEIOGIAU-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CCCCCCC[C@@](C)(NC1CC1)c1nc(CC)c(C)s1 109691055 YOMANGALRWNSMB-GOSISDBHSA-N 308.535 5.342 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(OC(F)F)c(F)c1 109906186 VEWGBHQSFMUTLM-LBPRGKRZSA-N 303.368 5.588 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(Cl)cc1Cl 110224905 JGJYKPNIGMUKNG-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE N#Cc1c(Cl)cccc1Nc1ccc(F)c(C(F)(F)F)c1 110254706 SDUNEXSUAHJKRF-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE C[C@@H](c1ccc(Cl)cc1)N(C)c1cccc(Cl)c1C#N 110258418 MDMBZMKNNJWKPS-NSHDSACASA-N 305.208 5.062 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCCC1)c1ccc(Cl)c(Cl)c1 110323655 XEYWNKHEIPVLJD-CQSZACIVSA-N 324.251 5.530 30 10 DKEE CC[C@@H](Nc1ccc(C#N)cc1Br)C1CCCCC1 213362848 XNJOMVBLRHPWQA-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(Cl)c2)C1 222882309 LFHDOFGQOIHNJI-IOASZLSFSA-N 307.890 5.787 30 10 DKEE CCCCCCCCCCc1ccc(C(=NO)C(C)=NO)cc1 254500532 YPJXRCDTVNWBNR-UHFFFAOYSA-N 318.461 5.398 30 10 DKEE CC(=NNc1nc(-c2cc(C)ccc2C)cs1)c1ccccc1 254700578 SOPPUZILDFPQMB-UHFFFAOYSA-N 321.449 5.263 30 10 DKEE CC(C)(C)[C@@H](C#N)CNc1cc(Cl)c(Cl)cc1Cl 397513870 QGKABHBWBUIFNM-QMMMGPOBSA-N 305.636 5.245 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC[C@H]1C(C)(C)C 698360824 VAPPSCHQOTWDFG-HNAYVOBHSA-N 322.493 5.131 30 10 DKEE CC1(C)CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 712343288 CZLYVTUSVHFPDK-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CC1(C)CCCCC[C@H]1Nc1ccc(C#N)c(Br)c1 719208337 SJFFYMOCLRVMLH-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Br)c(F)c1C 829198034 ZPKNNCJFQLBXKP-CQSZACIVSA-N 317.242 5.291 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(C)sc1Br 1939962420 LOZWELSUWQHTMK-LLVKDONJSA-N 322.699 5.002 30 10 DKEE FC(F)(F)c1ccc(Cl)c(NN=CC=Cc2ccccc2)c1 2040448566 MLYUGKRDAHJUTO-UHFFFAOYSA-N 324.733 5.470 30 10 DKEE C=C([C@@H](NC)c1ccc(C(F)(F)F)c(Cl)c1)C(C)(C)C 2152954226 WXUXUYNKKHKCAU-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE C=C([C@H](N)c1ccc(-c2ccccc2Cl)s1)C(C)(C)C 2163999755 AWCFPWNYQUHEGN-INIZCTEOSA-N 305.874 5.671 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1ccc(SC)s1 2207394481 ZVYALCHNRPADFU-OAHLLOKOSA-N 312.544 6.200 30 10 DKEE C=C1CC([C@H](NCC)c2cc(Cl)cc(Cl)c2Cl)C1 2220127033 OGYKBTWIOHKWSB-AWEZNQCLSA-N 304.648 5.264 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Cl)ccc1Cl 2227271988 LYVLCZQQYXRZCX-MRXNPFEDSA-N 301.257 5.944 30 10 DKEE CCCCCCCCC[C@]1(C)[C@H](N)CCN1Cc1ccccc1 2246060363 ASVZIFXAFXLHSR-NHCUHLMSSA-N 316.533 5.119 30 10 DKEE CCCC(CS)(CCC)CSC[C@@H]1CCCCC1(F)F 2283149469 YPZXLZUHXLZYAF-AWEZNQCLSA-N 324.546 6.062 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(SC(F)(F)F)cc1 2287408974 ORULMNHISYAIPH-AWEZNQCLSA-N 303.393 5.435 30 10 DKEE C=CCCCC[C@H](OCCCN)c1cc(Cl)ccc1Cl 2293268107 GKQWMZQNUGOERZ-INIZCTEOSA-N 316.272 5.146 30 10 DKEE C=CCC(CC=C)SC[C@H](NCC)c1cccc(Cl)c1 2360339531 ZPTAITHOPVSVTK-KRWDZBQOSA-N 309.906 5.245 30 10 DKEE CC[C@H]1CC[C@](C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2366848003 HRNKTQFYNJZUBK-SUMWQHHRSA-N 313.268 5.712 30 10 DKEE CCCCCOc1ccc(C(=O)/C=C/c2sccc2C)cc1 83204810 MLPJLYGNDUWHPP-ZHACJKMWSA-N 314.450 5.522 30 10 DKEE CCC(CC)(CS)COc1cc(C(C)C)c(Cl)cc1C 94584401 IJKPXXYWSOIJDD-UHFFFAOYSA-N 314.922 5.887 30 10 DKEE Cc1cccc(CS[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1 110355020 MXJYCLZMENEKCI-SQNIBIBYSA-N 301.499 5.583 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Br)sc1C 115221114 YKDPVFNFJJLERA-CYBMUJFWSA-N 318.324 5.440 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cccc(Cl)c1F 126541341 CBCHPRONRHAPSZ-MRXNPFEDSA-N 314.876 5.514 30 10 DKEE CCCCCCCCCC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 135408401 FWWMXIOLXFNHLB-GJZGRUSLSA-N 306.412 6.065 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Br)cc1C 158045883 ZPSZPOYBCLWJGG-INIZCTEOSA-N 312.295 5.379 30 10 DKEE CCCCCCCCNCc1ccc(F)c(C(F)(F)F)c1 163459795 SDXRHAYNJAMACL-UHFFFAOYSA-N 305.359 5.295 30 10 DKEE SCC1(CSCc2ccc(Cl)cc2)CCCCC1 166587441 NXVSMXOKYYMDGW-UHFFFAOYSA-N 300.920 5.454 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc(C)c(Cl)s1 226678824 KZRGXFMGJATAPW-OAHLLOKOSA-N 315.954 6.501 30 10 DKEE CCCCCCCNc1cccc(NC(=O)OC(C)(C)C)c1 227589987 YOVOOTLTNBGVKE-UHFFFAOYSA-N 306.450 5.416 30 10 DKEE CCCCCCC[C@@H](NCC)C(C(F)(F)F)C(F)(F)F 232951566 SOKRHEDJQBDOJF-SNVBAGLBSA-N 307.322 5.066 30 10 DKEE CC(=NN=C(C)c1ccc(-c2ccccc2)cc1)c1ccccc1 252635572 WYZCRZBXPRVTGJ-UHFFFAOYSA-N 312.416 5.587 30 10 DKEE N#Cc1ccccc1OCCSc1cc(Cl)cc(Cl)c1 312344776 GYSHBVVJVURZEE-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE C=CCCC[C@@H](C)N[C@H](CC)c1ccc(Br)cc1 398195871 TZGDISPFZWXNBT-CZUORRHYSA-N 310.279 5.235 30 10 DKEE CCCCCCCCOc1c(Br)cccc1OC 696632070 HHCXKNDAGFCPNS-UHFFFAOYSA-N 315.251 5.197 30 10 DKEE CCC(=O)Oc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874709299 ACANBTFBAWOXCZ-MDWZMJQESA-N 322.404 5.022 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cc(Cl)c(Cl)cc1N 1914936421 VIKFOQPGHBWCCV-UHFFFAOYSA-N 321.251 5.158 30 10 DKEE C=C(COCc1ccccc1)[C@@H](O)C1CCC(CCCC)CC1 1922071124 HHDXTPPEJPNEGK-DQVLVPHSSA-N 316.485 5.117 30 10 DKEE C=C(COCc1ccccc1)[C@H](C[C@H](C)C(C)(C)C)NCCC 1922079825 JBTRFIHWYNMGDM-ICSRJNTNSA-N 317.517 5.200 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@H](CS)C(C)(C)C)C(C)(C)C 1931998880 QREIMWBQXZRMNU-FUHWJXTLSA-N 321.574 5.515 30 10 DKEE C=CCCCCCCNCc1ccccc1OCc1ccccc1 2026018854 FEPGXMJWXSCVCJ-UHFFFAOYSA-N 323.480 5.492 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1cccc(C2CC2)c1 2070171132 XRNAPRXSAWQEGJ-HNNXBMFYSA-N 304.437 5.009 30 10 DKEE CCC1(C)CCC(Nc2ccc(C#N)cc2Br)CC1 2114868340 KMADTAIBLCEVII-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=C(Cl)CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2163978759 YWEWRXGOXXPCNS-UHFFFAOYSA-N 316.628 5.050 30 10 DKEE Cc1cc([C@@H](C)Nc2cc(Cl)c(C#N)cc2F)c(C)s1 2177381309 LPMVGJUXKLSYMU-SECBINFHSA-N 308.809 5.202 30 10 DKEE CCCCCCCCCCCCCC(=O)[C@H](C)CSC 2177824330 DMKGCJSJJDXDCA-QGZVFWFLSA-N 300.552 6.256 30 10 DKEE Cc1cc(OCCCCCCCCCS)c(C)cc1Cl 2193333508 UFKWDNFZZICBFC-UHFFFAOYSA-N 314.922 5.996 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1ccc(Cl)cc1Cl)C1CC1 2196860010 XIBHPYADMMUSFN-DYVFJYSZSA-N 310.268 5.084 30 10 DKEE C=C(c1ccccc1)[C@](C)(O)c1cc(F)c(Cl)cc1Cl 2197151999 RBUDLZABUZXAMV-INIZCTEOSA-N 311.183 5.053 30 10 DKEE Cc1ccc(N[C@@H]2CCCc3sc(Cl)cc32)cc1C#N 2199340718 LUUPVAUSOJWDGX-CQSZACIVSA-N 302.830 5.071 30 10 DKEE CCCCCCCCCNCCCC(F)(F)C(F)(F)F 2240419888 UXAQTPWDOPVFIF-UHFFFAOYSA-N 303.359 5.304 30 10 DKEE Cc1cc(F)c(CC=CC#CC(C)(C)C)c(Br)c1 2256700638 JAEMDKMOKPRYAY-UHFFFAOYSA-N 309.222 5.045 30 10 DKEE Cc1cc(Cl)c(Cl)cc1Nc1cc(Cl)ccc1C#N 2266774776 FAZOAPDGDRFUJD-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc2cccc(Br)c2o1 2271782042 USTWCBDWOSZEMT-AWEZNQCLSA-N 323.230 5.365 30 10 DKEE C=CCCCCCCCSc1ccc(Cl)cc1CNC 2287080918 WUBZCNPZVLLORD-UHFFFAOYSA-N 311.922 5.678 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc(F)ccc1Cl 2295604144 UHCXPFAHMHLSBQ-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1scc(Br)c1C 2304040470 GMCZLQWEJNLNSS-ZDUSSCGKSA-N 316.308 5.072 30 10 DKEE C=CCCCC[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2340797788 HVCZJAVMMRSFRF-CQSZACIVSA-N 304.236 5.530 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(Cl)c(F)c1 2360209180 ZEQRUIQXYJGZIX-BLLLJJGKSA-N 315.885 5.218 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364415030 NTOCRIQQYKRCPU-PXAZEXFGSA-N 314.300 5.945 30 10 DKEE CC[C@@H]1CC[C@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2368118728 XABCPLNGHUYSOT-VXGBXAGGSA-N 300.311 5.140 30 10 DKEE N#C[C@@H](C(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1Cl 44268635 FNWPFWIVYGYZCG-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OC(C)C 62167862 BAAPFCGLHPZJRJ-XYOKQWHBSA-N 324.420 5.077 30 10 DKEE Cc1cc(C(=O)/C=C/c2cccs2)c(C)cc1OCC(C)C 83193727 AIWYQGDHHOAOEQ-BQYQJAHWSA-N 314.450 5.296 30 10 DKEE CCCCCCC[C@@H](CSc1cccc(F)c1)NCCC 116702674 HXIYWYVNWPZSEY-KRWDZBQOSA-N 311.510 5.647 30 10 DKEE C=C1CC[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@@]2(C)C1 118912730 FVJXBCXBXDSKNP-OGNRNXDYSA-N 302.502 5.336 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccc(SC)cc1 122678258 MVTVALNTLXWRPL-GOSISDBHSA-N 308.535 5.444 30 10 DKEE CC[C@H]1CCC[C@@H](Nc2ccc(Br)cc2C#N)CC1 132277300 KDYBPNZXHKCUTI-SWLSCSKDSA-N 321.262 5.092 30 10 DKEE CCCCCCCCOc1nc(C(C)(C)C)nc(Cl)c1C 147560788 RARGQCLHOUYJDP-UHFFFAOYSA-N 312.885 5.475 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(Cl)c(Br)c1 160948527 OAYFQZIYONBCNN-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCOc1ccc(-c2ccc(C)cc2)cc1 167293111 JWJOIEDQBURRDZ-UHFFFAOYSA-N 324.508 7.182 30 10 DKEE CCCCC(CCCC)/C(=N\C1CCCCC1)C(OC)OC 256399736 ZLBLCKJFDARJLA-CZIZESTLSA-N 311.510 5.376 30 10 DKEE C=CCCCCCCN[C@@H]1CCc2c(Br)cccc21 312097623 FXNGJAIRVRNYOT-QGZVFWFLSA-N 322.290 5.163 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cc2Cl)C1 322684188 IWXOOVGXTASDIE-GPCCPHFNSA-N 300.254 5.414 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(C)cc1F 395684549 UBHLVPADQJANJE-QGZVFWFLSA-N 300.845 5.962 30 10 DKEE C=C1C[C@H]2CC(Nc3c(C)cccc3Br)C[C@@H](C1)C2 697316676 YRZRJPJOIIHWCY-YIONKMFJSA-N 320.274 5.304 30 10 DKEE CC1(C)CCCCC[C@@H]1Nc1cc(Br)ccc1C#N 719203375 DTERVDJOUIOSPP-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE Clc1ccc(N=Cc2cccn2-c2ccccc2)c(Cl)c1 1084195375 IKLBWDAYAJSGDJ-UHFFFAOYSA-N 315.203 5.535 30 10 DKEE Cc1c(Cl)cccc1N=Cc1ccc(Br)cc1 1084346822 WBEPWVWODGCPGU-UHFFFAOYSA-N 308.606 5.162 30 10 DKEE Cc1ccc(C)n1-c1ccc(C=NNc2ccccc2Cl)cc1 1088698725 VIUAHVKNCFWGMH-UHFFFAOYSA-N 323.827 5.194 30 10 DKEE CCCCCCCCCCCC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 1616184175 BPJMTDTXCPRWIJ-GBESFXJTSA-N 305.506 5.236 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(C)sc1Br 1951017202 ZNOZARCQOFXOLN-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC(C)(C)C(C)(C)C1 1976762639 CLYNFLZEECXOIP-AWEZNQCLSA-N 322.493 5.131 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@H](CCC)CC[C@@H]1C#N 1978877984 UILJOQLPIBMJQQ-HMXCVIKNSA-N 310.485 5.173 30 10 DKEE CC1(C)CC(=O)C=C(C=CNc2ccc(Cl)cc2Cl)C1 2053475003 FEKINGNNCDXTKY-UHFFFAOYSA-N 310.224 5.235 30 10 DKEE CCc1ccc([C@H](CC)n2nc(C3CCCCC3)cc2C#N)cc1 2070086207 AWOJNENDMVZSNH-NRFANRHFSA-N 321.468 5.364 30 10 DKEE C=CCCCCCCNc1ccc(Br)c(F)c1C 2085838269 BNWSTCISXWGUGY-UHFFFAOYSA-N 314.242 5.445 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cc(Cl)sc1Cl 2117015829 WVBIQKKEXPAVKZ-BXUZGUMPSA-N 318.269 5.198 30 10 DKEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1sccc1Cl 2148554103 YOIUZFUCBHYBNT-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE CCCC[C@](C#N)(CC)c1c([N+](=O)[O-])ccc(Cl)c1Cl 2164480971 ZOPPCTKLQCCWOS-AWEZNQCLSA-N 315.200 5.263 30 10 DKEE C=C1CC(C[C@@H](N)c2ccc(-c3ccc(Cl)cc3)s2)C1 2182176395 ZYYNOPGTCYITIY-OAHLLOKOSA-N 303.858 5.425 30 10 DKEE C=C([C@H](NC)c1cc(Cl)cc(C(F)(F)F)c1)C(C)(C)C 2200839794 YHUCIMIRKVXVNP-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE C=C(CC)C[C@H](NCC)c1sc(C)c(C)c1Br 2215909899 MHTGRVVQTZEBKT-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE CS[C@H]1CN(CCCCCCCCCS)C2(CCC2)C1 2234019468 JVEDKWKCJIZSET-MRXNPFEDSA-N 315.592 5.007 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2234033186 CBDBUYSAXFQEOS-GUYCJALGSA-N 314.300 5.506 30 10 DKEE C=CCCCCCCCCOCc1nc(Cl)cc(Cl)n1 2234043367 QFRJPUZJPYMOOL-UHFFFAOYSA-N 317.260 5.217 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1ncc(Cl)s1 2235524467 QJGHGLDVWWJHIA-CQSZACIVSA-N 314.926 5.754 30 10 DKEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)s1 2235756705 HPLICZRLQSGOTI-NSHDSACASA-N 324.232 5.162 30 10 DKEE C=CCCCCCCCCC[C@H](NCCC)P(C)(C)=O 2237216420 RPIUXOHVNBVTJS-QGZVFWFLSA-N 301.455 5.632 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1ccc(Cl)s1 2240657543 MMFUKZOCDYBNQD-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE N#Cc1cccc(F)c1Oc1cccc(OCc2ccccc2)c1 2247088155 HMWPVDLQYUJPLF-UHFFFAOYSA-N 319.335 5.069 30 10 DKEE C=C(C)CCCC[C@H](O)c1cccc(Cl)c1Br 2250140342 QVJDCOOYDBRGQE-ZDUSSCGKSA-N 317.654 5.272 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(Br)cc1Cl 2250190454 PECKNLNRUVVYJX-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE Cc1ccc(Br)cc1OCCCCCCCS 2252621149 OXYFZQHYDGZWKE-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)c(Cl)s1 2256702870 QSBBZFMQSVZJMZ-NSHDSACASA-N 302.270 5.051 30 10 DKEE C=C(C)CCCCC[C@@H](NC)c1cccc(Br)c1 2259206874 SHYFYULKPGLGJP-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=C([C@@H](NCC)c1cc(Cl)c(Cl)cc1C)C(C)(C)C 2270972563 BQFHVWGSJMVMDN-OAHLLOKOSA-N 300.273 5.555 30 10 DKEE C=C(C)CCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2271799815 VWXDLEYOZXTRRL-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CCCCC[C@H](OCCCN)c1cc(Cl)sc1Cl 2276504252 FFILTNQUADEPLI-LBPRGKRZSA-N 322.301 5.208 30 10 DKEE CCCCCCCCCC[S@@](=O)c1cc(F)cc(F)c1 2281333341 AAWDMJAJLOONMS-HXUWFJFHSA-N 302.430 5.213 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(C)c(Br)cc1C 2321178858 CLQQEMDMCRGNCX-MRXNPFEDSA-N 309.247 5.241 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1c(Cl)ccc(Cl)c1OC 2344461212 YHKOVWXECRPQSE-GJZGRUSLSA-N 303.229 5.028 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(Cl)c(C)c1Cl 2353214934 XNCNGVAJYHSQKV-INIZCTEOSA-N 303.273 5.870 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2364537666 NDDFFLROODAPKM-MRXNPFEDSA-N 314.300 6.089 30 10 DKEE C=CCC(C)(C)[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2370501872 RIKIAENIFHAQNK-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccsc1C(F)(F)F 2370522201 OOCIKGCSCRNFAC-TZMCWYRMSA-N 305.409 5.410 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2 14458617 OUGFPSJRZJLGPU-IPJJNNNSSA-N 317.432 5.386 30 10 DKEE CC(C)c1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)cc1 14462636 ZVYGFJIJGLOJOI-ZVDOUQERSA-N 314.432 5.508 30 10 DKEE CCCC/C(=N\N=C(/CCCC)c1ccccc1)c1ccccc1 36433260 APCPHZUOEVVNQN-MBALSZOMSA-N 320.480 6.260 30 10 DKEE N#Cc1cnc2ccccc2c1Nc1cccc(Cl)c1Cl 36913287 ORKQAPROTSNXLX-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE COc1ccc(C)cc1[C@H](C#N)Cc1cccc2ccccc12 57739329 ZDPNUZMEWLFQJI-SFHVURJKSA-N 301.389 5.007 30 10 DKEE Cc1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 83193367 DHUWDNIAVJNXOP-LFIBNONCSA-N 314.384 5.683 30 10 DKEE N#Cc1ccc(Sc2ccc(Cl)c(Cl)c2)cc1Cl 88304056 UYURONOCUUWQGB-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1ccc(Cl)cc1Cl 109719198 RHLIOQZEXNIEQC-MRXNPFEDSA-N 316.316 6.004 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(Br)s1 114419524 NSDNJDNYKXVPSP-LLVKDONJSA-N 304.297 5.261 30 10 DKEE CCCCCCC[C@@H](O)c1sc(C)cc1Br 114542380 LVEBJCGUDWHQLQ-GFCCVEGCSA-N 305.281 5.213 30 10 DKEE C=C[C@@H](CC(=O)N1CCCC[C@@H]1c1ccc(C)o1)c1ccccc1 135680808 QBYBEFWXDAULFP-PKOBYXMFSA-N 323.436 5.002 30 10 DKEE CCCCCCCOc1ccc2cccc(Br)c2c1 144266461 HXBXIFUQMNIMIQ-UHFFFAOYSA-N 321.258 5.952 30 10 DKEE Cc1c(Br)cccc1Nc1ccc(Cl)cc1C#N 232244833 NVUQNENBSLEVPN-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(Nc2ccc(OCc3ccccc3)cc2)ccc1C#N 310361541 TWGLSWZTYQUKND-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CCCCCCCCNc1ccc(F)c(Br)c1F 691823732 OCPGVEOTLFLKSA-UHFFFAOYSA-N 320.221 5.500 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](C(C)(C)C)CC1 698971048 XXKAWSZLUKMRBG-BEFAXECRSA-N 322.493 5.132 30 10 DKEE CC1(C)CCCCC[C@@H]1Nc1ccc(Br)cc1C#N 719205470 KLPQVNFAFUNUEE-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE C=C1CCC(CNc2cccc(OCc3ccccc3)c2)CC1 724571378 PMKBUXFZESRGAG-UHFFFAOYSA-N 307.437 5.424 30 10 DKEE Clc1ccc(C=Nc2cc(Cl)c(Cl)cc2Cl)cc1 1083975698 KBACTCODSKTOMQ-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE Cc1cccc2c1C(=O)/C(=C\c1ccc(Cl)cc1)CS2 1614719154 SDUNLJOJRSVOPX-LCYFTJDESA-N 300.810 5.020 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(C)c(Br)o1 1917583905 CZSQZRYCCSTUNM-CYBMUJFWSA-N 316.283 5.491 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(Cl)ccc1Cl 1920489958 OLQKXRYQLVUHRC-INIZCTEOSA-N 302.289 5.918 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCCC12CCC2 1921658393 TZHDRAZDZFGYGT-QGZVFWFLSA-N 318.258 5.164 30 10 DKEE CCC1(C)CCC(C#N)(N(CC(C)C)C(=O)OC(C)(C)C)CC1 1981060846 ODASQHJUIHKHFL-UHFFFAOYSA-N 322.493 5.132 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(C)c(Br)c1C 2037100998 OQBWUPJFBQYBTM-HNNXBMFYSA-N 310.279 5.202 30 10 DKEE N[C@H](CC#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2037455298 HLJMDDZMNBESIX-GFCCVEGCSA-N 302.270 5.029 30 10 DKEE CC1(C)CC(C)(C)CC(C=O)(CC2(Br)CCC2)C1 2049209289 PPYPMGHNNZKLTM-UHFFFAOYSA-N 315.295 5.116 30 10 DKEE C=CCCCCC[S@](=N)(=O)c1c(Cl)cccc1Cl 2073738786 POYXYFZAYUBZHB-SFHVURJKSA-N 306.258 5.145 30 10 DKEE CCCCCCCCC[C@H](N)c1c(F)ccc(Cl)c1F 2154607663 YIHFJENYFDPWHR-AWEZNQCLSA-N 303.824 5.759 30 10 DKEE C=C([C@@H](NC)c1ccc(C(F)(F)F)cc1Cl)[Si](C)(C)C 2179255327 VIPSPQQTGPXEMM-CYBMUJFWSA-N 321.846 5.053 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1c(Cl)cccc1Cl)C1CC1 2196858421 NMLMLCUIOARWCG-CJNGLKHVSA-N 310.268 5.084 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(F)c(Cl)c(F)c1 2201606647 UZUCDLWIEMNMRL-HNNXBMFYSA-N 303.824 5.629 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203962585 QPLYATGOCSDWJJ-NHYWBVRUSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1ccc(SC)s1 2207394480 ZVYALCHNRPADFU-HNNXBMFYSA-N 312.544 6.200 30 10 DKEE C=CCCCCCCCCCC(=O)c1cc(C)c(Cl)s1 2207440253 YOKSINITPOKIKD-UHFFFAOYSA-N 312.906 6.590 30 10 DKEE C=CCCCCCCC[C@H](O)c1sccc1Br 2214612426 BVOXNNGKJQARGW-ZDUSSCGKSA-N 317.292 5.461 30 10 DKEE C=CCCCCCCC[C@H](N)c1csc(C(F)(F)F)c1 2235531852 DSLNEXIGFGUQAQ-ZDUSSCGKSA-N 305.409 5.683 30 10 DKEE CSc1cccc(SCCCCCCC2CC2)c1C#N 2239343075 YOCBEYMXFOAATA-UHFFFAOYSA-N 305.512 5.733 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ncc(C(F)(F)F)s1 2240611074 RGMGADQQDSKZOR-CYBMUJFWSA-N 308.413 5.086 30 10 DKEE CC(C)c1cc(Br)cc(C(=O)C=C2CCCCC2)c1 2265965192 KRAHVLRKCFRCHH-UHFFFAOYSA-N 321.258 5.646 30 10 DKEE C=C(C)CCCCNc1cccc2cc(Br)cnc12 2271792012 QZBBUYGECFPAEC-UHFFFAOYSA-N 319.246 5.156 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](SCC2(C(F)(F)F)CCC2)C1 2290348356 RDWUMPCBDGNCKT-JHJVBQTASA-N 305.409 5.171 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(C)cc(Br)c1 2321101572 KPAVQCLKHPHAJV-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2321149278 WSVZZSVKTFCBGY-XPTSAGLGSA-N 306.664 5.510 30 10 DKEE C=CCC(CC=C)S[C@@H](c1ccc(Cl)s1)[C@H](N)CC 2335196313 DTRXLJVPOIRUTH-IUODEOHRSA-N 315.935 5.434 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(Br)c(C)c1 2344355344 GFEIUICJAQVARP-INIZCTEOSA-N 324.306 5.401 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NN)c1cc(Cl)c(Cl)c(Cl)c1 2344460537 RPNYRNPUOWAALX-UONOGXRCSA-N 321.679 5.144 30 10 DKEE CO[C@@H](CSC[C@](C)(CS)C(C)(C)C)CC(C)(C)C 2352102352 ZMPGHGHRPUCVDE-CJNGLKHVSA-N 306.581 5.153 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cc(F)c(Cl)cc1Cl 2377278438 PLYOKGQRKBWHNO-INIZCTEOSA-N 314.231 5.785 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1ccc(Cl)c(Cl)c1 94589591 UTAMRKNYFJQDNT-VIFPVBQESA-N 309.327 5.678 30 10 DKEE CCCCCCCCCCC[C@@H](NCCC)c1cccs1 115856808 UHIVQTXKVXNSCQ-GOSISDBHSA-N 309.563 6.710 30 10 DKEE CCCCCC[C@@H](C)Nc1cc(Br)ccc1C#N 123163906 KXECUMZINGPDKU-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)c(Cl)c2)C1 227713562 OZFZBSLMUOTWJS-HFAKWTLXSA-N 314.281 5.804 30 10 DKEE Cc1c(Cl)cccc1Nc1ccc(Br)cc1C#N 229164927 YCKZKQOZQQBZLJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@H](N)c1ccoc1Br 232990172 AFYVODRQTDKMDU-ZDUSSCGKSA-N 302.256 5.183 30 10 DKEE C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]21C 238767110 YGBZFOQXPOGACY-NLCOOVJESA-N 302.458 5.372 30 10 DKEE CC[C@@H]1O[C@H]1C[C@H](C)c1ccc(OCc2ccccc2)cc1C 251722801 SABWAAOQPPUEAV-NDXORKPFSA-N 310.437 5.245 30 10 DKEE O=[N+]([O-])c1cccc(SCCCCCCCCCS)c1 313565459 JFIJBHUGDQITKN-UHFFFAOYSA-N 313.488 5.347 30 10 DKEE C#CCCCCCNc1cc(Cl)c(Br)cc1C 686687326 CYRTWQTZFGXXSX-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE CCC[C@@](C#N)(C1CCCC1)N(CC(C)C)C(=O)OC(C)(C)C 698852084 BOXXWAGSCAPFAB-LJQANCHMSA-N 322.493 5.132 30 10 DKEE C[C@H](COCc1ccccc1)CC1(C=O)CCCCCCC1 719594195 ZNTFFXXPPKBUHT-SFHVURJKSA-N 302.458 5.159 30 10 DKEE COc1ccc(C=Nc2ccc(/C=C\c3ccccc3)cc2)cc1 884967730 AMWLHYSTQXHJRQ-XQZXIFLWSA-N 313.400 5.616 30 10 DKEE Cc1ccc(N=Cc2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 1084234044 VHTJDHJEBCQEPA-UHFFFAOYSA-N 319.360 5.012 30 10 DKEE C=C([C@H](NCCC)c1cscc1C(F)(F)F)[Si](C)(C)C 1922962060 GSZNAEGOLHGNIV-ZDUSSCGKSA-N 321.484 5.241 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(C)sc1Br 1951008238 NRCQYZQFFHKEMI-CYBMUJFWSA-N 319.308 5.603 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cccc(Cl)c1Br 2000389450 DDMNKRARJDBGRR-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=C(COCc1ccccc1)C[C@H](NCCC)c1cccc(C)c1 2003623973 BLCPNLKQIGGVHV-QFIPXVFZSA-N 323.480 5.199 30 10 DKEE C=CC1(CNc2nc(Cl)c(Cl)cc2Cl)CCCC1 2069250646 IBLDNWUHGNEZFP-UHFFFAOYSA-N 305.636 5.200 30 10 DKEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1cc(Cl)sc1Cl 2075292777 HGWRHIVKKWBPHL-TXEJJXNPSA-N 302.270 5.128 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(C)c(Br)c1C 2075716790 YNMDSRMURMLHLX-HNNXBMFYSA-N 311.263 5.236 30 10 DKEE C=CCCCCCCCCCNCC1(Br)CCC1 2086258636 GNLFXFHBJSULAF-UHFFFAOYSA-N 316.327 5.200 30 10 DKEE CC1([C@@](C)(C#N)Nc2ccc(Br)cc2)CCCCC1 2101388934 IIDZKEYPRXEDKP-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1ccc(Cl)cc1Cl 2108214458 VWCVCPVVOYSHFA-GJZGRUSLSA-N 300.229 5.137 30 10 DKEE CCC#CC[C@H](NCCC)c1cc(-c2cccs2)cs1 2174095382 JQWMQCLVKIENPZ-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE Cc1cc(C#N)ccc1Nc1cc(Cl)c(F)c(Cl)c1F 2200730837 VSXRAYMOFHYCHJ-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C=CC[C@H](C=C)OCc1c(Br)sc2ccccc12 2217956111 HZWAZKHKUJFDRD-NSHDSACASA-N 323.255 5.311 30 10 DKEE CCCCCCCCNc1c([N+](=O)[O-])ccc(F)c1Cl 2235686123 IABSQOKEYGPVJB-UHFFFAOYSA-N 302.777 5.160 30 10 DKEE N#Cc1cccc(F)c1N(Cc1ccccc1)CC1CCCCC1 2247159476 NKJROFPOSQEPRS-UHFFFAOYSA-N 322.427 5.284 30 10 DKEE C=C(C)CC[C@H](C)NCc1cc(Br)cc(C(C)C)c1 2266002604 XYOXTCKKVZBMEL-AWEZNQCLSA-N 324.306 5.407 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2269340781 UPHRHDKLVJYYJX-ZBEGNZNMSA-N 300.273 5.555 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281535191 BNTIILGEZINAHV-ZBEGNZNMSA-N 316.272 5.255 30 10 DKEE CCCCCCCC(=O)c1c[nH]c2cc(Cl)c(Cl)cc12 2283583258 UWQDFPXJJFMKPC-UHFFFAOYSA-N 312.240 6.018 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(Cl)ccc1Cl 2344343556 OTKYDPCPPCHJED-JKSUJKDBSA-N 300.273 5.636 30 10 DKEE Cc1ccc(C#N)cc1N[C@H]1CCSc2ccc(Cl)cc21 50429959 TVHKMIDJYDLYRA-HNNXBMFYSA-N 314.841 5.169 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2ccc(Cl)c(F)c2)CC1 91883743 XBIKGIZOMOBEJA-PDOTXMHQSA-N 309.812 5.013 30 10 DKEE CCCCCCCC[C@H](O)c1cscc1Br 123465253 RPLHFNGKQNLMOL-ZDUSSCGKSA-N 305.281 5.295 30 10 DKEE CCCCCCCCCCCCC(=O)[C@H](N)c1cccs1 123500134 NKDIEASXMKIURM-SFHVURJKSA-N 309.519 5.628 30 10 DKEE CCCCCCCCC[C@H](NC)c1c(Cl)cnn1CCC 127424616 ZNWFUDZRDKUBRH-INIZCTEOSA-N 313.917 5.348 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)C1 227037750 SKSQOUXTPRONSY-SKDZVZGDSA-N 305.487 5.189 30 10 DKEE CCCCCCCCCCNC(=O)c1cc2ccccc2[nH]1 316503942 ZJHVDAQWNFBJIV-UHFFFAOYSA-N 300.446 5.038 30 10 DKEE N#CCCCCCn1ccc2cc(OCc3ccccc3)ccc21 720910987 PPGWJPZIDZFZJY-UHFFFAOYSA-N 318.420 5.304 30 10 DKEE N#Cc1ccc(C=Nc2cc(Cl)c(Cl)cc2Cl)cc1 1083933328 RTBVOFGULWQPCZ-UHFFFAOYSA-N 309.583 5.269 30 10 DKEE Clc1cc(Cl)c(NN=Cc2ccsc2)c(Cl)c1 1084653189 CGBRXWVUCNSAPQ-UHFFFAOYSA-N 305.617 5.154 30 10 DKEE C=CCC[C@H](C)N[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1258717853 WHWJSHGOMLTKAV-GJZGRUSLSA-N 318.461 5.039 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)[C@H]1CCCC[C@H]1C#N 1915377180 FUUMNNHPJCKONK-NEWSRXKRSA-N 324.493 5.394 30 10 DKEE CCCCCCCCN[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 1939562953 JHJQFOZTEWGRNJ-WOJBJXKFSA-N 317.517 5.320 30 10 DKEE C=CCCCCC[C@@H](NC)c1scc(C)c1Br 1950854783 FTZXAXUFSQINLS-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE C=CCCC[C@H](NCC)c1cccc(Cl)c1Br 2000381743 HWTIASQGUWQGSC-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE C=C(C)CC[C@@H](NCC)c1sc(CC)cc1Br 2000381906 JDHJSPYVEGCQOW-CYBMUJFWSA-N 316.308 5.080 30 10 DKEE CCCCCCCCCOc1cnc(C)c(Br)c1 2031596499 AXNFNSIRGSCTGW-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE N#C[C@]1(CCc2cc(Cl)cc(Cl)c2)CCC(F)(F)C1 2090835028 VCDXHQRBEFJGDM-CYBMUJFWSA-N 304.167 5.255 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(Cl)sc1C 2098228090 PDCSDJKMVOAVQZ-OAHLLOKOSA-N 301.927 6.111 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cccc(Br)c1 2142444432 UGQBDXLOBNYQIW-QGZVFWFLSA-N 324.306 5.756 30 10 DKEE CCCCCCCCCCC(=O)[C@H](O)c1cscc1Cl 2147140046 LTGJIDFTFHTKJA-MRXNPFEDSA-N 316.894 5.535 30 10 DKEE C=CC1(C[C@@H](O)c2ccc(SC(F)(F)F)cc2)CCC1 2168028752 PHGCDRNCNQWHAN-CYBMUJFWSA-N 302.361 5.078 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2204229191 CQAYOWODKHFMND-RISCZKNCSA-N 316.272 5.255 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1 2227280384 BLRFVLDFCBEOCL-INIZCTEOSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(F)c(Cl)cc1F 2235532568 LTKUVDOPSUDMAP-INIZCTEOSA-N 302.792 5.568 30 10 DKEE CC#CCCCCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 2236301692 PLSDPBYZUVLTQK-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCCCCn1c(S)nc2cc(Cl)c(C)cc21 2236879205 LIKJPOUGLDZNHH-UHFFFAOYSA-N 310.894 5.647 30 10 DKEE C=CCC[C@H](C)[C@@H](N)c1cc(Br)cc(C(C)C)c1 2254716918 ZARBGWGONWECNY-BLLLJJGKSA-N 310.279 5.175 30 10 DKEE Cc1ccc(Sc2c(Br)cccc2C#N)cc1C 2257488401 DBRYRJAPPUGAME-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCCC[C@H](N)c1nc(C(F)(F)F)c(C)s1 2295501272 QHHNZXGZLJKNDR-NSHDSACASA-N 308.413 5.221 30 10 DKEE CCCCCCCCC[C@H](NC)c1sc(Cl)cc1OC 2295738584 FZFAYFHFDRWZNV-ZDUSSCGKSA-N 317.926 5.811 30 10 DKEE CCOc1cc(C)c(C(=O)C=Cc2c[nH]c3ccccc23)c(C)c1 2295967982 QWULEMXYCUQKNJ-UHFFFAOYSA-N 319.404 5.080 30 10 DKEE CC(C)(C)c1ccc(C=C2CCCc3ccccc3C2=O)cc1 2297563126 JSNVHKWGZBKZHS-UHFFFAOYSA-N 304.433 5.587 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)sc1CNC1CCC1 2313690081 UUBLNHHNJOTRSF-JTQLQIEISA-N 301.908 5.100 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1ccc(C)c(C)c1 2322884676 KZAQCXLFOSAJDI-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE C=CCC(CC=C)SC[C@@H](N)c1ccc(Cl)cc1Cl 2335097057 UCUVBMJRUMFLOO-OAHLLOKOSA-N 316.297 5.247 30 10 DKEE CC(C)CC(CC(C)C)OCCCCCCCCCS 2360346784 LLPRZHGRBCJVPM-UHFFFAOYSA-N 302.568 6.124 30 10 DKEE CCCCCCCC[C@H](N)c1c(F)cc(OC)cc1Cl 2364056680 TVWUVYXTYNGYKS-HNNXBMFYSA-N 301.833 5.238 30 10 DKEE CCCCCCCCCNCc1cc(F)c(Cl)cc1Cl 2377418114 ROGSCSGXRZODTF-UHFFFAOYSA-N 320.279 5.973 30 10 DKEE C[C@@H](Nc1ccc(CC#N)cc1)c1cc(F)c(Cl)cc1Cl 37301951 NZQZUNDCVYCSCE-SNVBAGLBSA-N 323.198 5.372 30 10 DKEE Cc1ccsc1[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 88191268 QIKXNBKFJNDSMI-JTQLQIEISA-N 310.344 5.120 30 10 DKEE CCCCc1ccc(OCCCCCCCCCS)cc1 97799860 JIUXNTHGGGNHIQ-UHFFFAOYSA-N 308.531 6.069 30 10 DKEE CCCCCCCCNCc1ccc(O[C@@H](C)CC)c(OC)c1 100048774 GTDWXLBAVZAUBZ-KRWDZBQOSA-N 321.505 5.323 30 10 DKEE C=CC[C@@H](CC)c1cc(Cl)c(OCCC)cc1OCCC 107676737 VOHMDNMHNIORBN-CQSZACIVSA-N 310.865 5.987 30 10 DKEE N#C[C@H](C(=O)CCC1CCCCC1)c1ccc(Cl)c(Cl)c1 110323657 XEYWNKHEIPVLJD-AWEZNQCLSA-N 324.251 5.530 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Br)sc1C 114634066 IHAMNECOWGLPGD-GFCCVEGCSA-N 304.297 5.179 30 10 DKEE CCCCCCCCCCNCc1cc(Cl)ccc1Cl 129350024 HVKCFQIBFNXCAE-UHFFFAOYSA-N 316.316 6.224 30 10 DKEE N#Cc1ccc(CNc2cccc(Cl)c2Cl)c(Cl)c1 162601993 QNUDYPDXNRAZEY-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1ccccc1OCc1ccccc1 379752470 OSHRQISATUGBQH-RBUKOAKNSA-N 320.436 5.150 30 10 DKEE C=C(C)CC[C@H](NC)c1cc(Cl)c(C)cc1Br 383430412 BQKLEYIWMIWSCH-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE CC(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 710723011 BOXSQZTZDIGXTG-KRWDZBQOSA-N 322.836 5.020 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)C1CCCCC1 710755920 ATDYKQLQHMJROJ-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE Clc1ccccc1N=C1NC2(CCCCCCC2)CS1 713227313 YBJVSHQNBYZPAR-UHFFFAOYSA-N 308.878 5.147 30 10 DKEE C=C1CCC(C[C@@H](CSc2cccc(Cl)c2)NC)CC1 724590630 YSTJPMXVFNLXNZ-INIZCTEOSA-N 309.906 5.157 30 10 DKEE Cc1ccc(-c2csc(SCc3cccc(C#N)c3)n2)cc1 1860797357 JSYLXTMFTZGMHI-UHFFFAOYSA-N 322.458 5.283 30 10 DKEE C=CCCCC[C@H](N)c1cscc1OCc1ccccc1 1885310565 WEHQVUHHUXHJKJ-KRWDZBQOSA-N 301.455 5.073 30 10 DKEE C=CCN(Cc1ccccc1)c1ccccc1[C@H](CC)NCCC 1914961996 KSNRGJZUZUFFJC-NRFANRHFSA-N 322.496 5.330 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](N)c1cccc(Cl)c1Cl 1920353240 GBGSTVRCQNKWGY-CVEARBPZSA-N 318.288 5.105 30 10 DKEE CC(=CB1OC(C)(C)C(C)(C)O1)c1cc(Cl)ccc1Cl 1927748514 YHMKBRHBCCHBCL-UHFFFAOYSA-N 313.033 5.028 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1(C)CCCCC1 1975571456 RTJGSGVDXRGPMR-KXBFYZLASA-N 322.493 5.275 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H]1CCCC(C)(C)C1 1980273206 BNIPARXRFCRBTE-XHSDSOJGSA-N 322.493 5.131 30 10 DKEE C=C1CCC(C[C@@]2(O)CCCC[C@@H]2OCc2ccccc2)CC1 1991157004 DCDCUPLLCMQXCI-SFTDATJTSA-N 314.469 5.013 30 10 DKEE C=CCCCC[C@H](NC)c1cc(Br)ccc1Cl 2009483126 YCRNGKOZKBLJFW-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CC[C@H]1CC=C(C(=O)c2ccc(Br)cc2C)CC1 2061198269 ZZRUOMMCUHDIHZ-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(Br)ccc1OC 2108205451 AHLFRLSSWDFWIR-INIZCTEOSA-N 324.262 5.110 30 10 DKEE CCCCC#CC[C@H](NCCC)c1snc(Cl)c1Cl 2138958707 KEMTULIGKCQOLK-NSHDSACASA-N 319.301 5.074 30 10 DKEE CCCN[C@@H](CC#CC1CCCCC1)c1sccc1Cl 2149857974 NRYNTTCDBXIYNC-INIZCTEOSA-N 309.906 5.416 30 10 DKEE CCCCCCCCCC[C@]1(O)CS[C@@H](C(F)(F)F)C1 2189219340 APAKZJZKJBIIEM-ZIAGYGMSSA-N 312.441 5.316 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2200837312 CFGKQYDAWVLDMS-CQSZACIVSA-N 308.771 5.753 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(-c2cccs2)s1 2205863651 FZEFIGJKHSFYHI-DYVFJYSZSA-N 305.512 5.730 30 10 DKEE C=CCCSc1cc(Br)ccc1C(F)(F)F 2244566225 HROOMQVTWVKAJA-UHFFFAOYSA-N 311.166 5.136 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(C(F)(F)F)s1 2295005291 ATXSFBAKUCKRIA-RISCZKNCSA-N 305.409 5.410 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340145718 JHPSLIFRFYCFQI-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE CCCC#CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807335 GWADITTXZZYGSI-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCOc1ccc(/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1 33414286 CJCLXVWBWFOHGQ-YVMONPNESA-N 322.448 5.050 30 10 DKEE Clc1ccccc1/N=C/c1cccc(OCc2ccccc2)c1 59514033 BOEMAMKPSQZUDQ-HYARGMPZSA-N 321.807 5.670 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(Br)ccc2F)C1 87972988 DVBUJWUXSGUXQL-LRDDRELGSA-N 324.237 5.241 30 10 DKEE CCCCCCCC(=O)c1cc(F)c(Br)cc1F 112337693 OEPBMIFJBIVIKQ-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE CCCCCCCCCCNc1ccc(C(N)=S)cc1F 129343239 PYZHDFRDXMDAGJ-UHFFFAOYSA-N 310.482 5.013 30 10 DKEE C[C@@H]1CC[C@](C)(C(=O)/C=C(/O)[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 135954685 ZPWDPOBPQQLWEE-QGVOWZRDSA-N 320.517 5.922 30 10 DKEE CCCCCCC[C@@H](NCC)c1cccc(Cl)c1Cl 158129130 BALIGEOCYARNTP-OAHLLOKOSA-N 302.289 6.005 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@](C)(CC)OCC 161815853 GRBUFOZBZQHNJH-RBUKOAKNSA-N 300.527 5.864 30 10 DKEE N#Cc1ccc(Sc2ccc(O)c3ccccc23)c(Cl)c1 163448472 JQGDVJRUDMEILE-UHFFFAOYSA-N 311.793 5.222 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccccc2)C1 222240879 HOVMEOIHYLVTKJ-KSZLIROESA-N 301.499 5.664 30 10 DKEE CCCCCCC[C@@H](N)c1c(F)ccc(Br)c1F 232945391 DFNLGZUKDOMYBI-GFCCVEGCSA-N 320.221 5.088 30 10 DKEE C=CCC[C@H]1CC[C@H](C2CCC(c3ccc(C)cc3)CC2)CC1 245219470 OXPUOKDPOMJNKA-RPCDJPHFSA-N 310.525 7.041 30 10 DKEE Cc1ccc(Oc2ccc(Br)c(Cl)c2)c(C#N)c1 313511465 RIXGGGCAHMYJIF-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCC1CCC(C=O)([C@H](C)c2ccc(Br)cc2)CC1 317870794 KYBKQZBOWPTKCG-TUBUQKNSSA-N 323.274 5.338 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1sccc1Cl 380363236 OHZUSNKIHVUTKP-HNNXBMFYSA-N 316.938 6.226 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)CC1(CS)CCCCCC1 387452053 VCJUQIMLTOTHBK-SFHVURJKSA-N 319.558 5.558 30 10 DKEE C=CCCCCCCN[C@H](C)c1ccc(Br)cc1 394115332 AYSSYSAQCXJEOV-CQSZACIVSA-N 310.279 5.236 30 10 DKEE CCCCCCCCC[C@@H](COCc1ccccc1)NCCC 395540461 WHZSIFOUJRSXBB-NRFANRHFSA-N 319.533 5.712 30 10 DKEE C=C1CCCC[C@@H]2[C@@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 504145773 VDNOLQQAMPQTRK-ZLNRFVROSA-N 317.476 5.401 30 10 DKEE CCC[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698875880 RYBIDBOHIMBVHC-RDJZCZTQSA-N 322.493 5.275 30 10 DKEE C=C1CCC(C[C@@H](CCOCc2ccccc2)NCCC)CC1 724575170 JZZBMNSNMLCPRS-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE CCCCCCC[C@H](O)c1sc(C)c(Br)c1C 724996045 BFRKJTFUURUPCT-LBPRGKRZSA-N 319.308 5.521 30 10 DKEE CC(C)c1ccc(/C(=N/OCc2ccc(C#N)cc2)C2CC2)cc1 821228798 BSYLUFNGXOLSNL-LNVKXUELSA-N 318.420 5.013 30 10 DKEE Fc1cc(-c2cccc(OC(F)(F)F)c2)ccc1C(F)(F)F 1848364037 XMQCFPHEXOBKEZ-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCCCCCCn1cc(OCCCCCC)c(=O)cc1C 1870083497 OYRLUGBAOUUIMZ-UHFFFAOYSA-N 321.505 5.476 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CCC)C(C)C 1922072653 WSOKTHPVLQXJDW-SFTDATJTSA-N 317.517 5.200 30 10 DKEE C=C(COCc1ccccc1)[C@H](C[C@H](CC)C(C)(C)C)NCC 1922116485 QSPBVWGBBAWWFG-PMACEKPBSA-N 317.517 5.200 30 10 DKEE CCC(CC)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1926161418 ISHUINASPWEKLO-QGZVFWFLSA-N 316.445 5.147 30 10 DKEE CCCCCCCCCC[C@@]1(N)CC[C@H]1OCc1ccccc1 1939548657 ZKNSRGRGYKZBTE-NHCUHLMSSA-N 317.517 5.594 30 10 DKEE C=CCCC[C@H](NCCC)c1scc(C)c1Br 1950857616 ASMMEYLRVDZQML-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE CCCC[C@](C)(C#N)Cc1ccc(Cl)cc1Br 2000521091 RAIVHVWYOPMWBF-AWEZNQCLSA-N 314.654 5.365 30 10 DKEE C=C([C@@H](NCC)c1cc(C)cc(Br)c1)C(C)(C)C 2035416979 FQKQCKYOHWTMJL-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1ccoc1Br 2086281963 CATNHGZSGVNJQD-CQSZACIVSA-N 315.251 5.382 30 10 DKEE C=CCCCCCCCCC(=O)c1cccc(Br)c1 2142437079 ZBQURIRBSVWQGU-UHFFFAOYSA-N 323.274 5.939 30 10 DKEE CCc1cscc1C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 2153584507 MWGPSLJYIPAMBI-LLVKDONJSA-N 324.232 5.107 30 10 DKEE CCCCCCCCOc1nc(Cl)c(CNC(C)C)s1 2155333462 YWLFTEQFFHREKK-UHFFFAOYSA-N 318.914 5.034 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccsc2C(F)(F)F)CC1 2157654269 MZDDURRPPZCQJV-UHFFFAOYSA-N 301.377 5.420 30 10 DKEE CCCCCCCCC[C@H](N)c1sc(N(C)C)nc1Cl 2164035989 JNTWBGOFCKBTBN-LBPRGKRZSA-N 317.930 5.003 30 10 DKEE CCCC[C@](C#N)(CC)c1c(Cl)cc([N+](=O)[O-])cc1Cl 2164476972 FSQZAXRYMFATQK-AWEZNQCLSA-N 315.200 5.263 30 10 DKEE O=C[C@]1(CCc2cc(Cl)cc(Cl)c2)CCCC(F)(F)C1 2184845451 OUBHLRNGIYDAHP-AWEZNQCLSA-N 321.194 5.321 30 10 DKEE C=CCCCCCCCC[C@H](N)c1c(Cl)cccc1Cl 2207407755 GIHDUKNPDGOCEO-INIZCTEOSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCCNc1ccc(C)cc1Br 2220089845 AEETXWVDCYSFQF-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE CCCCCCCCCCCCC[C@H](NC)P(C)(C)=O 2237191318 FBUPXINWVSALFM-QGZVFWFLSA-N 303.471 5.856 30 10 DKEE C=CCCCCCCCSC[C@@H](NCC)c1nccs1 2287194969 WAESNAOQHCZGMK-OAHLLOKOSA-N 312.548 5.054 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1C 2294300355 OKLJBNQSZNEJCA-UHFFFAOYSA-N 305.204 5.506 30 10 DKEE CCN[C@@H](C#Cc1ccccc1Cl)c1scc(C)c1Cl 2295212143 QGWKJLFFZQLTGR-AWEZNQCLSA-N 324.276 5.066 30 10 DKEE Cc1ccc(C(=O)C=Cc2cc3cccc(C)c3nc2Cl)cc1 2297549606 IJWLSRFNOJMLHT-UHFFFAOYSA-N 321.807 5.401 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cccc(Br)c1Cl 2304041348 NENZRWUXYJXAPR-KGLIPLIRSA-N 316.670 5.095 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccccc2Br)C1 2318748216 KUBRZLUZLITEPH-JMSVASOKSA-N 324.287 5.011 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cc(Cl)cc(Cl)c1Cl 2321101671 KZCXPVTXGVFBEA-KGLIPLIRSA-N 306.664 5.639 30 10 DKEE C=CCC(CC=C)S[C@H](c1ccc(Cl)cc1)[C@H](N)CC 2360334976 XKQWSAWQIPTUTG-IAGOWNOFSA-N 309.906 5.372 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1cc2sccc2s1 2370483336 SQSBKAIIZLAUDT-DLBZAZTESA-N 307.528 5.996 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 14464866 JMCQCLKGRXXARE-RYRKJORJSA-N 306.796 5.038 30 10 DKEE CC/C(=N\O)c1ccccc1OCc1ccc(Cl)cc1Cl 21500453 HNSJLAYNRKJYBB-XDJHFCHBSA-N 324.207 5.161 30 10 DKEE CCCCCCCCC(=O)Nc1cc(Cl)cc(Cl)c1 42784540 MCGPNKFPTBSBMF-UHFFFAOYSA-N 302.245 5.683 30 10 DKEE CCCC(CS)(CCC)COc1cc(C)c(Cl)c(C)c1 94584450 URZDFRPGNZOEGE-UHFFFAOYSA-N 314.922 5.852 30 10 DKEE CSc1ccc(C)cc1C(=O)/C=C/c1ccc(Cl)cc1 96887612 UMUQXSIWKRDMRU-RMKNXTFCSA-N 302.826 5.266 30 10 DKEE O=C(/C=C\c1ccc(O)cc1)c1ccc(-c2cccs2)cc1 96973269 MDJICDIQRGZGNK-XGICHPGQSA-N 306.386 5.017 30 10 DKEE CN(CCCCCCCCCS)Cc1ccc(Cl)cc1 97799438 FPTXLXTWLFOMFE-UHFFFAOYSA-N 313.938 5.432 30 10 DKEE CCCCCCCCOc1cc(Br)ccc1C=O 106557961 ORJOSPQBNLBUOC-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Br)cs1 112459688 IMEMHMXUQFAUFI-GFCCVEGCSA-N 304.297 5.132 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(OC)c(Cl)c1 115856582 VDJQRSJSYYZUQS-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE N#Cc1ccc(Cl)c(N[C@H]2CCc3sc(Cl)cc32)c1 129722561 RITDNCCIRQAFJV-NSHDSACASA-N 309.221 5.026 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1ccc(Cl)cc1 131209631 KCJAKDOYUPVLLX-GOSISDBHSA-N 310.913 5.765 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)c1csnn1 143499647 ZAGUINILMIRHCP-MRXNPFEDSA-N 311.539 5.500 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(F)c(F)cc1Cl 231293828 KMSSPPHXJJJDBN-MRXNPFEDSA-N 303.824 5.759 30 10 DKEE Cc1ccc(Nc2cc(Cl)ccc2Br)c(C#N)c1 235907184 QVAPETCKRWZIQR-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC(=NNc1nc2ccccc2s1)c1ccc2ccccc2c1 252618170 LEPLXYCVJIMSSP-UHFFFAOYSA-N 317.417 5.286 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=NN=Cc1ccc(Cl)cc1Cl)C2 252621511 NAFPDVNYVQKEFO-YVEFUNNKSA-N 323.267 5.615 30 10 DKEE C/C(C=NNc1ccc([N+](=O)[O-])cc1)=C/c1ccc(C(C)C)cc1 254794874 GWCRHJDMHHYKNQ-VMMFGDDSSA-N 323.396 5.219 30 10 DKEE Oc1c(C=Nc2ccccc2C(F)(F)F)ccc2ccccc12 260881928 ZPOASSKMMBHAJV-UHFFFAOYSA-N 315.294 5.315 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(F)ccc1C(F)(F)F 710496031 PTPUGCRQIRBEAD-CYBMUJFWSA-N 309.734 5.028 30 10 DKEE C=C1CCC(CN[C@@H](CC)c2cccc(Br)c2)CC1 724446747 LHYRFIRVEOZNAV-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE FC(F)(F)c1ccccc1C#Cc1c(Cl)cccc1Cl 1614755477 YZYLRNRTKQWRRH-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 1919563936 WNBNNJHMWPALOP-MRXNPFEDSA-N 321.263 6.091 30 10 DKEE CCCCCCC[C@]1(O)CC[C@@H](C)C[C@@H]1OCc1ccccc1 1977469515 WQOFNYMUMVJVDV-GIVPXCGWSA-N 318.501 5.483 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)[C@H](C)CO 1995325327 JEJDABLFTUMUNS-HXUWFJFHSA-N 317.517 5.176 30 10 DKEE CCCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 1995348848 DTJBOZYUNTWSFF-SJORKVTESA-N 324.509 5.665 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 1996709706 MBEVCOZPGZEMCM-RBBKRZOGSA-N 321.464 5.273 30 10 DKEE CCCCCCCCN[C@@H](C)c1cscc1Br 2013600898 NOEVEKLQBJLFGN-LBPRGKRZSA-N 318.324 5.522 30 10 DKEE CC(C)Cc1ccc(Cn2cc(C#N)c(C3CCCCC3)n2)cc1 2080308094 OJAPOUXEAISZRS-UHFFFAOYSA-N 321.468 5.049 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2102110157 DMQMPSRAUYOXIS-LRDDRELGSA-N 300.273 5.636 30 10 DKEE CC(C)C(CCOc1ccc(Br)cc1C#N)C(C)C 2132724911 KBFNQRDPWYICHW-UHFFFAOYSA-N 324.262 5.018 30 10 DKEE C=CCCCCCCCCC(=O)c1ncccc1Br 2142432212 ABDNGGLKILDNJZ-UHFFFAOYSA-N 324.262 5.334 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(SC(F)(F)F)cc1 2154636744 KAFQHBWRYWGKBH-CQSZACIVSA-N 303.393 5.435 30 10 DKEE C[C@](N)(CC#CC1CCCCC1)c1ccc(Cl)cc1Cl 2154708770 NIWLVHNAMMGPGF-KRWDZBQOSA-N 310.268 5.141 30 10 DKEE CCN(CCCCCCCCCS)CCc1cccs1 2170109873 DGCBOKSPTFIGPT-UHFFFAOYSA-N 313.576 5.273 30 10 DKEE N#Cc1cc(F)c(Nc2cc(Cl)cc(F)c2F)cc1Cl 2177388310 OXCHJVPQHGLPNB-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCC[C@H](NC)c1c(Cl)cccc1C(F)(F)F 2179679249 GKPBWTOEPKPPRH-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H](O)c1cc(Cl)cs1 2207383019 YKBDBKRNIZBRMX-MRXNPFEDSA-N 314.878 5.311 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cscc1Br 2211136829 WRMDLHLPEZEYKO-CYBMUJFWSA-N 300.265 5.163 30 10 DKEE C=CCCCCC[C@@H](O)c1sc(C)c(C)c1Br 2215894674 DVOXIWIUEBOCHB-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE CCc1cscc1C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234054271 QYZZMNZXGIVJKZ-LBPRGKRZSA-N 324.232 5.107 30 10 DKEE C=CCCC[C@H](NC)c1cc(Br)cc(C(C)C)c1 2254741939 OWOVAAPXKSJKCK-INIZCTEOSA-N 310.279 5.189 30 10 DKEE C=CCCCCCCCSCc1ccc(CN)cc1Cl 2287073786 YHVMFKGSQQRUCN-UHFFFAOYSA-N 311.922 5.559 30 10 DKEE C=CCCCCCCC[C@H](N)c1cnc(C(C)(F)F)s1 2289296811 ZOAIUNBNIQPRMF-LBPRGKRZSA-N 302.434 5.171 30 10 DKEE CCN[C@@H](C#CC1CCCC1)c1cc2sc(C)cc2s1 2289714063 QJBTWSMUIUATHP-AWEZNQCLSA-N 303.496 5.115 30 10 DKEE CCCN[C@@H](CC#CC1CCCC1)c1scc(C)c1Cl 2289855085 PIVAXHNUZAQMAT-HNNXBMFYSA-N 309.906 5.334 30 10 DKEE C=CC[C@H]1CCC[C@H]1NCc1cccc(OCc2ccccc2)c1 2300177329 WTDRVQSVOLKWKL-RBBKRZOGSA-N 321.464 5.100 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc(Cl)c(Cl)c1C 2364222221 DSRZNMHALZJDEC-SJKOYZFVSA-N 314.300 5.425 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2370533582 KGILUULZVWTHLF-UONOGXRCSA-N 305.771 5.351 30 10 DKEE N#Cc1cc(NCc2cccc(Cl)c2Cl)ccc1Cl 36972866 KZQOSLUWAXRUCM-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426874 BBBWJFHIPUJUJO-MBNYWOFBSA-N 308.878 5.182 30 10 DKEE CCCCCCCc1c(C)nn(C(=O)c2cccc(C)c2)c1C 100458339 CACQJVMRXGUMNA-UHFFFAOYSA-N 312.457 5.010 30 10 DKEE CCCCCCCCC(=O)Cc1ccc(C(F)(F)F)cc1 116308270 ZBNBBCDPSLAQCG-UHFFFAOYSA-N 300.364 5.568 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)[C@H]1CCSC1 143496907 VUZGURFFPUTOJN-RBUKOAKNSA-N 313.595 6.029 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)[C@@H]1CCCCS1 157712521 NPMNQHNKEXNWDG-MOPGFXCFSA-N 313.595 6.171 30 10 DKEE CCCCCCCCC(=O)c1ccc(F)c(C(F)(F)F)c1 164743189 OSOJUSDEOPMGKH-UHFFFAOYSA-N 304.327 5.778 30 10 DKEE C[C@H](c1cccs1)N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 251235013 CSIALDHUBURWCQ-FXUDXRNXSA-N 304.503 5.095 30 10 DKEE N#CC1(c2ccc(OCc3ccccc3)c(F)c2)CCCCC1 260684016 RYDMLCIJZBQVBU-UHFFFAOYSA-N 309.384 5.130 30 10 DKEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(Cl)cc1Cl 306627116 ZIBNHOFYPWUYHK-KTKRTIGZSA-N 313.033 5.028 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccsc1C(F)(F)F 394913472 QBAUNBUTILHHPT-CYBMUJFWSA-N 307.425 5.778 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc2cscc2s1 694353940 YQHKQJSYHBLOMQ-OAHLLOKOSA-N 309.544 6.364 30 10 DKEE CCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CC1 698846535 YDGLLCYTYSBHFK-SFHVURJKSA-N 308.466 5.029 30 10 DKEE C=CCCCOC[C@@H](NCCC)c1cccc(Cl)c1Cl 708948649 NYFXPSKOAWJWQN-OAHLLOKOSA-N 316.272 5.017 30 10 DKEE C=C1CCC(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 724452017 CWLBKHPNKMFEAO-UHFFFAOYSA-N 315.200 5.060 30 10 DKEE C=C(C(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 1088646528 BGMPLEJUIYJUQM-UHFFFAOYSA-N 318.803 5.903 30 10 DKEE O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1cccs1 1911912885 MKSMRBDQELHEBO-UHFFFAOYSA-N 320.413 5.223 30 10 DKEE CCCCCCC[C@]1(C)CC1(Br)Br 1931342070 IQJDEUBNULWISO-SNVBAGLBSA-N 312.089 5.243 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)CC1(C#N)CCC1 1957559864 YMVBEYNOUFPEIQ-MRXNPFEDSA-N 310.466 5.005 30 10 DKEE CCCCCCC[C@@]1(N)CCCC[C@@H]1OCc1ccccc1 1959268502 WMEUYGJCXUYNDV-VQTJNVASSA-N 303.490 5.204 30 10 DKEE SC[C@H](CSc1cc(Cl)ccc1Cl)CC1CC1 2003368807 XGZRVWXETKVHSX-SNVBAGLBSA-N 307.311 5.432 30 10 DKEE CCOc1c(C(F)(F)F)ccc(C(F)F)c1C(F)(F)F 2060220787 DLXFSYDGGACPBM-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE CCOc1cc(C(F)F)c(C(F)(F)F)c(C(F)(F)F)c1 2060221220 NJIKGAVSBZMCGB-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C=O)CCCC(C)(C)C1 2112214248 KCAUWAMBCYQNDE-KRWDZBQOSA-N 323.274 5.086 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(Cl)c1 2127973752 JEDKXQMIFZFMFY-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H](O)c1ccsc1Cl 2148576964 BBHLZYWSTOIOIF-CABCVRRESA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@H](N)c1cccc(SC(F)(F)F)c1 2154636375 ABYOAOIEBWHSKX-AWEZNQCLSA-N 305.409 5.659 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc2sc(C)cc2s1 2156532555 AQXVROOPHAQICW-AWEZNQCLSA-N 307.528 6.058 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)c(F)cc1Cl 2204280536 FIODAFLJAMKKOV-INIZCTEOSA-N 320.279 6.144 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)C[C@@H]1CCCO1 2211144808 CKWVQRCGANGVSD-NRFANRHFSA-N 315.501 5.194 30 10 DKEE C=C[C@@H](CCCCC)OCC(=O)c1cc(Cl)sc1Cl 2231034180 SGIXQJUTZXATAO-JTQLQIEISA-N 321.269 5.389 30 10 DKEE CCC[C@H](C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl)C(C)C 2234038117 WOVVKVQTSPCKHF-GXTWGEPZSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCC[C@H](N)CSc1ccc(Cl)cc1 2235517795 AKCVFLMDHNQRCP-INIZCTEOSA-N 311.922 5.676 30 10 DKEE C=CCCCCCCC[C@H](NC)[C@@H]1CS[C@H](C)[C@@H](C)S1 2235518186 DMFKLEXCRSAKHC-NCOADZHNSA-N 315.592 5.117 30 10 DKEE CCC[C@H](C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl)C(C)C 2235752783 DLTOITWKHYPRSX-AAEUAGOBSA-N 312.240 5.242 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2235756135 HQSYGTSJMWWJSM-CZUORRHYSA-N 314.300 5.506 30 10 DKEE CCC[C@](C=O)(CC)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 2244799777 CJQPJNPBHAJQIW-WIYYLYMNSA-N 317.517 5.319 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(C)c(Br)c1C 2259182485 INFMSQJQANPGAG-OAHLLOKOSA-N 311.263 5.236 30 10 DKEE Cc1cc(NCc2ccc(Cl)c(Cl)c2)cc(C)c1C#N 2280579560 ATGMYPGOUWQJKI-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1[N+](=O)[O-] 2287072516 YNCVRLBNOUUAAX-UHFFFAOYSA-N 313.850 5.867 30 10 DKEE C=CCCCCCCCSc1ccc([C@H](C)N)c(Cl)c1 2287080970 XIQYTCCROUUVGV-AWEZNQCLSA-N 311.922 5.978 30 10 DKEE C#CCCCC[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2295008341 HRDBROPXSIJUTQ-GFCCVEGCSA-N 303.393 5.001 30 10 DKEE CC(C)(C)C1(C)CC(C#N)(c2ccc(Br)cc2)C1 2327119481 QYIIUEDVWDKCAI-UHFFFAOYSA-N 306.247 5.057 30 10 DKEE C=CCCCCN(C)CCCc1cc(Cl)cc(Cl)c1 2341126419 BUJVYLFTCNYKAG-UHFFFAOYSA-N 300.273 5.214 30 10 DKEE C=CCC(C)(C)[C@H](N)c1cc(Br)cc(C(C)(C)C)c1 2344337423 QJSMBYMNEUIIFA-OAHLLOKOSA-N 324.306 5.349 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)c(Cl)cc1C 2344374432 IBZIVXCKLXSAIY-HZPDHXFCSA-N 300.273 5.555 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366410820 CXENZSGNKIIVPA-ZBEGNZNMSA-N 318.263 5.776 30 10 DKEE Cc1ccc(N/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl 6674044 KWBUCWKETJSNBV-QGMBQPNBSA-N 313.615 5.401 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1C)N2 14478889 QSMQKHUGSNJSNU-IPJJNNNSSA-N 317.432 5.386 30 10 DKEE SCCCCCCSc1cccc(Br)c1 87097961 SGSJFAWOZHQWPP-UHFFFAOYSA-N 305.306 5.031 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(Br)ccc2F)C1 87972983 DVBUJWUXSGUXQL-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE C=CCCC[C@H](NCC)c1cc2cccc(Br)c2o1 97220080 FBHJWGILXWIKDE-AWEZNQCLSA-N 322.246 5.202 30 10 DKEE FC(F)(F)c1ccc(OCCCCCCCCCS)cc1 97799631 PIOGBMYBJPCPEA-UHFFFAOYSA-N 320.420 5.745 30 10 DKEE CCCCCCCOc1ccc(C(=O)Nc2ccccc2)cc1 100152976 BLUBGKOARFIASZ-UHFFFAOYSA-N 311.425 5.288 30 10 DKEE CCCCCCCCCCCCCC(=O)c1cc(C)ccc1C 101473086 DGPNJTNFAQALJQ-UHFFFAOYSA-N 316.529 7.187 30 10 DKEE CCCCCCCCCCCC[C@H](N)Cc1nc(C)cs1 109742805 SIRXWMILQSDWLG-KRWDZBQOSA-N 310.551 5.632 30 10 DKEE CCSc1cccc(Oc2cc(C)c(Cl)c(C)c2)c1C#N 136712171 SYNAIFINFFAPQL-UHFFFAOYSA-N 317.841 5.733 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(F)c(C(F)(F)F)c1 158099516 QLQNCLRBOIWICU-OAHLLOKOSA-N 305.359 5.466 30 10 DKEE CC(C)(C)c1ccc(C=Nc2sc3c(c2C#N)CCCC3)cc1 254353572 YWJUWNSDJZUZOJ-UHFFFAOYSA-N 322.477 5.547 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)[C@H](C)CSC 312195803 QEYIABCHQZNJFQ-IAGOWNOFSA-N 302.572 5.128 30 10 DKEE CCCCCCCCC[C@H](NC)c1coc(Br)c1 378928004 UMEFGOBBUUORCD-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE CCCCCCCCCC[C@H](NC)[C@H](C)OCc1ccccc1 404548550 OBYSGEXPHYAFDS-FPOVZHCZSA-N 319.533 5.711 30 10 DKEE CCC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 698361404 XVJGMJRYVMQSJQ-QFBILLFUSA-N 322.493 5.275 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@H]1C(C)(C)C 698965616 QCWRMMXFRFJFDM-KXBFYZLASA-N 322.493 5.132 30 10 DKEE CCCCCCCCN1CCCc2cccc(Br)c21 713324739 NKOJNJDNYJKPCH-UHFFFAOYSA-N 324.306 5.562 30 10 DKEE CCCCCCC[C@H](C[C@H](C)COCc1ccccc1)NC 719190678 IXTFSQJECHSZBZ-AZUAARDMSA-N 305.506 5.178 30 10 DKEE C=CCCN(Cc1ccccc1)[C@H](C)CCCCN[C@H](C)CC 1901765747 WBOJKSYTSUYPDX-WOJBJXKFSA-N 316.533 5.012 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)CC1(CC#N)CC1 1915380484 ZKNDUVQQMHAHSY-MRXNPFEDSA-N 310.466 5.005 30 10 DKEE CCCCCCCCN(CCC(C)(C)O)Cc1ccccc1 1915611109 CAWTZYZXZQZSJN-UHFFFAOYSA-N 305.506 5.010 30 10 DKEE CCCCCCC[C@H](NC)c1scc(Br)c1C 1922985955 MKPFPKHGCWELLK-ZDUSSCGKSA-N 318.324 5.440 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)C1(C)CCCCCC1 1978563495 NAYOBRVIOVGNMI-HXUWFJFHSA-N 315.501 5.098 30 10 DKEE CCCC[C@](C)(C=O)Cc1ccc(Cl)c(Br)c1 2001877631 YQSFDCZTSQNJOT-AWEZNQCLSA-N 317.654 5.040 30 10 DKEE C=C(Cl)CC[C@@H](NCCC)c1ccccc1Br 2003671424 OINKAJJRPVQTMU-CQSZACIVSA-N 316.670 5.023 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](C)c1c(C)cc(C)cc1C 2070162310 ZMSFXSFOBIKMIG-SFHVURJKSA-N 314.432 5.066 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(C)c(Br)c1C 2108002274 CQESQLBQFKOOLT-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE CCCCCCCCCCCCOC[C@H](SC)[C@@H](C)N 2176253864 DMZBBYARKVLOPT-SJORKVTESA-N 303.556 5.003 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Cl)cc(F)c1F 2206899674 MNYCYGXFKACJRG-HNNXBMFYSA-N 301.808 5.405 30 10 DKEE C=CCN(Cc1ccccc1)C[C@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2210344868 RMUVCJNIZBADRV-LDLYASANSA-N 319.439 5.136 30 10 DKEE CCCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C(C)C 2212661220 YKAAQMALNJZUCR-IBGZPJMESA-N 324.509 5.665 30 10 DKEE C=C(C)CCCCCc1ccc(Br)cc1Cl 2244638007 SEKBWTYGQORQTR-UHFFFAOYSA-N 301.655 5.782 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Br)c(F)cc1C 2258015623 SMHNAWYKFPQZIT-OAHLLOKOSA-N 317.242 5.291 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cocc1Br 2258147414 XVAOARSWGSDSPG-HNNXBMFYSA-N 315.251 5.382 30 10 DKEE C=CCSc1ccccc1NCc1cc(C)ccc1Cl 2283380334 FOUIJVUZLAOUSL-UHFFFAOYSA-N 303.858 5.539 30 10 DKEE CC1(COCCCCCCCS)CC2(CC(F)(F)C2)C1 2294696554 JSGVATWQUBYZJB-UHFFFAOYSA-N 306.462 5.099 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(C(F)(F)F)s1 2294983302 DWAPLPPYMFGWJU-SNVBAGLBSA-N 316.735 5.097 30 10 DKEE CCCCCCC[C@](C)(Sc1ccc(Cl)cc1)C(=O)O 2353864454 YFMUZJSHKMNPBO-INIZCTEOSA-N 314.878 5.636 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cc(OC)c(Cl)s1 2365816594 RNGRXRCKGZMKPY-CYBMUJFWSA-N 313.894 5.035 30 10 DKEE C[C@@H]1CCC[C@](C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2366846066 KJXPUNFIOZTRPR-DYVFJYSZSA-N 313.268 5.712 30 10 DKEE C=C[C@@](C)(CNCC(C)C)Cc1cc(F)c(Cl)cc1Cl 2377390973 YFHPSHIBYFGXGM-MRXNPFEDSA-N 318.263 5.113 30 10 DKEE O=C1/C(=C\c2cccs2)CCCC/C1=C/c1cccs1 495363 QLMGTUZRKDNOBJ-XSYHWHKQSA-N 300.448 5.420 30 10 DKEE CCC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 37393146 WOUBJGNTZGWJII-QGZVFWFLSA-N 319.235 5.818 30 10 DKEE Clc1ccc(Cl)c(/N=C2/NC3(CCCCC3)CS2)c1 53097537 CHEXOJMLBCBXJI-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE Brc1ccc(/N=C/c2cc3ccccc3s2)cc1 90549563 PJSOORIFBDAWHJ-LICLKQGHSA-N 316.223 5.414 30 10 DKEE CC(C)(C)c1cccc(OC[C@H](CS)c2ccccc2)c1 94584376 UHIXOKVTDDQDMQ-MRXNPFEDSA-N 300.467 5.077 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(Cl)ccc1Cl 115856476 CDBNVIUTDLFBLB-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cc(Cl)ccc1F 131179369 KCCDNAGWMYAWNP-KRWDZBQOSA-N 314.876 5.514 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(Cl)c(Cl)c1 158904806 QUJYXYJGUDYJLP-INIZCTEOSA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@@H](N)c1c(F)c(F)c(F)c(F)c1F 158935771 XIYQIPAOZVEMPU-SECBINFHSA-N 309.322 5.133 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(OC)cc1Cl 164173278 GFNNAEBYXNDOEA-UHFFFAOYSA-N 317.256 5.935 30 10 DKEE CC(C)=C1C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 253570633 NWHGLVFSMBKWMI-DQEBDXAXSA-N 314.513 5.935 30 10 DKEE CCCCCCC[C@H](O)Cc1ccc(C)c(Br)c1 313654599 UQMONUPWKYDSAE-HNNXBMFYSA-N 313.279 5.021 30 10 DKEE C#CCCC[C@H](NCCC)c1ccccc1OCc1ccccc1 380232484 YLLNVDIAXRAQRF-NRFANRHFSA-N 321.464 5.110 30 10 DKEE CCCCN(CC(F)(F)F)CC(CS)(CCC)CCC 387150780 YKDJCVGKCFULPV-UHFFFAOYSA-N 313.473 5.167 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC12CCCC2 698377679 UEDOYGDTHAPBFO-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE C=C(Cl)C[C@@H](CCCCCCCCCCC)NCCC 710695722 HXXDRNWLLBNNOU-GOSISDBHSA-N 301.946 6.418 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 712343834 HINCAJCUOSUARD-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE C=C1CCC(CNc2cc(Br)ccc2Cl)CC1 724552771 BSZSFHVHLOQDEP-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE Clc1ccc(/C(=N/OCCCc2ccccc2)C2CC2)cc1 821229894 SZGXLZLOUHWBPA-XUTLUUPISA-N 313.828 5.104 30 10 DKEE CCCCCCCCCOc1cccc(NC(=O)C=C(C)C)c1 1860126333 YGQHSWRLWLSPFV-UHFFFAOYSA-N 317.473 5.721 30 10 DKEE Cc1ccc(N[C@@H](C)c2cc(Cl)sc2Cl)cc1C#N 1909663876 HCWNFPVCQKHNQM-VIFPVBQESA-N 311.237 5.408 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1scc(C)c1Br 1950860825 VVUIQGUUNIRMNQ-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE C=CCC(C)(C)COCc1ccc(Cl)c(Br)c1 2001846649 HHAJBWLEUMCJBC-UHFFFAOYSA-N 317.654 5.221 30 10 DKEE CC#CCCCC[C@H](NCC)c1cc(Cl)sc1Cl 2075371291 WEZIAOMDHNBKIA-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(F)c(Br)c1 2085838700 GZQMTHCAOCQYQG-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE C=CC1(CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)CCC1 2111699795 YSOYXVCOQZDYEN-JTQLQIEISA-N 302.220 5.139 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2c(C)cccc2Br)C1 2125735732 NESPCRAXFYYFMH-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE N#Cc1ccc(Nc2cc(F)c(Cl)cc2Cl)c(Cl)c1 2138996862 LMMLMYGEMYAFFE-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccc(SC)s1 2149707986 PIKYCEZSRNMNEF-OAHLLOKOSA-N 313.576 6.261 30 10 DKEE C=C(C(=O)c1ccc(-c2ccccc2F)s1)[Si](C)(C)C 2163960216 OPWNOJOALKDMDH-UHFFFAOYSA-N 304.462 5.171 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(C(F)(F)F)cs1 2179683473 UNQHOUFWSVHERW-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE Cc1cc(Cl)cc(Cl)c1N[C@H](CC#N)c1ccccc1 2201068268 FFDVBGKFOOVVNE-OAHLLOKOSA-N 305.208 5.369 30 10 DKEE CCCC#CC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2203793491 VSMPDDJMVRGRGV-AWEZNQCLSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCN1CC[C@H](COCc2ccccc2)C1 2211146321 PGPHOCRJMWRJLT-NRFANRHFSA-N 315.501 5.052 30 10 DKEE C=C[C@@H](CCCCC)OCc1ccc(Br)cc1F 2223243466 VKOHNGZRGUQTEZ-AWEZNQCLSA-N 315.226 5.240 30 10 DKEE CCCC#C[C@H](NCCC)c1ccc(-c2cccs2)s1 2233793449 YDEHFQVYTKNKOQ-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(Br)c(C)c1 2271793066 ZIGRYDFMLRQOAR-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1ccc(Cl)c(Cl)c1 2292798241 MWGLRGZEDVDVOS-INIZCTEOSA-N 316.272 5.146 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Br)cc1Cl 2304115235 MDBTYZXUWHIVSP-KGLIPLIRSA-N 317.654 5.128 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)c(Br)cc1C 2344358758 WLAIGJNGCPVBSC-PXAZEXFGSA-N 324.306 5.319 30 10 DKEE CN(CCCCCCS)Cc1cc(F)c(Cl)cc1Cl 2349904151 KIXWMHUIOTUKFB-UHFFFAOYSA-N 324.292 5.055 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352815485 PTJYTTZOGVTVBC-LRDDRELGSA-N 300.273 5.555 30 10 DKEE Cc1ccc(N[C@H](C#N)c2ccc(Cl)c(Cl)c2C)cc1 2366020629 VHXMAMXUQQRKQJ-OAHLLOKOSA-N 305.208 5.287 30 10 DKEE C#Cc1ccc(NCCCc2cc(Cl)cc(Cl)c2)cc1 2366832781 OJZDWHBAAQXTQF-UHFFFAOYSA-N 304.220 5.019 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 14464867 JMCQCLKGRXXARE-BQFCYCMXSA-N 306.796 5.038 30 10 DKEE N#Cc1cc(NC2CC(c3ccccc3Cl)C2)ccc1Cl 36973399 KUCDUIUMFDSDAG-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37153978 OPCLBQXUGUYIPV-SLEUVZQESA-N 302.468 5.107 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1nc(C)sc1C 37766959 HVABXIDAZKDXSB-LLVKDONJSA-N 304.484 5.211 30 10 DKEE CCCCCCCCC[C@H](N)c1ccccc1Br 109730815 MNXFSNGHGUSDNO-INIZCTEOSA-N 312.295 5.590 30 10 DKEE Cc1ccc(N/N=C/c2cccc(OCC(C)C)c2)cc1Cl 169879569 HCFOVANRKZBCKL-RGVLZGJSSA-N 316.832 5.129 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cc(C)ccc1O 202254673 XFBUJCDTSZDBJZ-UHFFFAOYSA-N 305.462 5.560 30 10 DKEE C=CCCCCCOc1ccc2ccccc2c1Br 232478702 CMPLRNIUADMROH-UHFFFAOYSA-N 319.242 5.728 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(C)cc(Br)c1 234435208 PIVWOCUKLSONOW-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCC[C@@H](Nc1ccc(Br)cc1C#N)C1CCCC1 313411868 PPCZLLBTXORSNF-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@H](CCOCc1ccccc1)NCCC 395616227 JFNGONKOZOJANU-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE C=CCCC[C@@H](C)N[C@H](c1ccco1)c1ccc(Cl)s1 398060458 GYUDSXPVWLLXMA-MLGOLLRUSA-N 309.862 5.418 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1cc2cscc2s1 693957935 JGLUYKCTRZFZGM-LBPRGKRZSA-N 304.827 5.293 30 10 DKEE CC(C)(C)c1ccc(CNc2ccc(Cl)cc2C#N)s1 695755214 ALQDFIMFTLALCD-UHFFFAOYSA-N 304.846 5.183 30 10 DKEE CCCCCCCCC[C@H](O)c1cccnc1Br 696908343 YQRFTYOVSWGCNZ-AWEZNQCLSA-N 314.267 5.018 30 10 DKEE CC[C@@H](C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468778 MRGXLBVSKVRVSV-RHSMWYFYSA-N 316.445 5.065 30 10 DKEE C=CC[C@@H](C)[C@H](NC)c1ccc2cc(Br)ccc2c1 715829305 KJNHCMVHAWFRQZ-PXAZEXFGSA-N 318.258 5.075 30 10 DKEE Cc1ccc(C)c(C#Cc2cc(C(F)(F)F)ccc2Cl)c1 1614826614 FXGMBDAHUDCJSA-UHFFFAOYSA-N 308.730 5.375 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)sc2Cl)CCc2ccccc21 1883073456 GNAILNLDHIYIGD-HNNXBMFYSA-N 308.233 5.005 30 10 DKEE CCCCCCC[C@]1(N)CCCC[C@@H]1OCc1ccccc1 1959268500 WMEUYGJCXUYNDV-PMACEKPBSA-N 303.490 5.204 30 10 DKEE C=C(C)Cn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21 2053504861 LEQBNMYDEJGTHJ-UHFFFAOYSA-N 308.812 5.436 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(F)ccc1Br 2085838234 BEBLERKYEOBYDB-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE C[C@H]1CCC[C@](C#N)(Cc2csc(-c3ccsc3)n2)C1 2144694581 KVTGKEFCEADJSS-BLLLJJGKSA-N 302.468 5.134 30 10 DKEE CCCCCCC[C@@H](COc1ccc(Cl)cc1Cl)NC 2152445863 MOJLVPLBYANQMZ-AWEZNQCLSA-N 318.288 5.321 30 10 DKEE CCCSc1ccccc1Nc1ccc(C#N)cc1Cl 2158459145 JDGPPTWCJFDPGM-UHFFFAOYSA-N 302.830 5.457 30 10 DKEE CCCCCCCCCN[C@@H]1CCC[C@@H](P(C)(C)=O)C1 2160843667 MHMOCISPFULCEN-IAGOWNOFSA-N 301.455 5.261 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 2173290824 RSCUBNMOEOCFPC-MFKMUULPSA-N 305.771 5.222 30 10 DKEE C[C@@H](Nc1cc(Cl)c(C#N)cc1F)c1cccc(Cl)c1 2177382090 VVACFCLFJKBDRK-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Cl)c(F)cc1F 2179678862 OLHHMJOMAFTOMS-INIZCTEOSA-N 301.808 5.405 30 10 DKEE N#C[C@@H](c1cc(Cl)cc(Cl)c1)[C@H]1CCC2(CCCC2)C1 2203962905 UFJULIPISNZHPE-BLLLJJGKSA-N 308.252 5.961 30 10 DKEE C=CCCCCCC[C@H](N)COc1ccc(Cl)cc1Cl 2206894974 PHPCTDMIUPGNIK-AWEZNQCLSA-N 316.272 5.226 30 10 DKEE C=CCCCCCCCNCc1ccccc1Br 2220092083 KFJHCBGRVNWUDT-UHFFFAOYSA-N 310.279 5.065 30 10 DKEE C=CCCCCCCC[C@H](O)c1csc(C(F)(F)F)n1 2235520348 YSUVTYDEBJLWBO-LBPRGKRZSA-N 307.381 5.112 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 2244640364 CYLULRKNBZWTPS-KRWDZBQOSA-N 319.445 5.204 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cccc(Br)c1 2259196802 PEZHPXOVIJMCNQ-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE CC(C)(C)C#CC=CCc1c(O)c(Cl)cc(Cl)c1Cl 2268737956 SJQQQQRXLFQAMC-UHFFFAOYSA-N 317.643 5.501 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c([C@H](C)O)s1 2271581716 LDSILCISXPPHJW-NSHDSACASA-N 319.923 5.469 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1ccsc1Cl 2295677752 DNUPAOLGJKDTFD-GOEBONIOSA-N 317.926 5.293 30 10 DKEE FC1(F)C[C@]1(CS)CSc1ccc(Cl)cc1Cl 2306942632 GHYHWNLJKOCLJU-JTQLQIEISA-N 315.237 5.041 30 10 DKEE CCCCCCCCCC[C@](C)(CCSC)OCCN 2365641309 UICSKZINRKOXKW-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE Cc1c(Cl)ccc(N[C@@H](CC#N)c2ccccc2)c1Cl 2365663421 UEROQYNOLZFVKL-AWEZNQCLSA-N 305.208 5.369 30 10 DKEE C=CCCC[C@@H](CCCCC(F)(F)C(F)(F)F)NCC 2368092126 QBHSGYDPCRRFQZ-LBPRGKRZSA-N 301.343 5.079 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(C(C)(C)C)cc2)C1 37156496 RRTUDLPOEMPMOD-HDMKZQKVSA-N 301.499 5.795 30 10 DKEE CCOc1ccc(C[C@H](C#N)c2cc(C(C)C)ccc2OC)cc1 57755589 SNSLSSQZLUBBHJ-GOSISDBHSA-N 323.436 5.067 30 10 DKEE CC(C)Sc1ccc(Cl)cc1-c1csc(CC#N)n1 76541240 VTZNMRQELAUMMG-UHFFFAOYSA-N 308.859 5.030 30 10 DKEE COc1ccccc1/C=C/C(=O)c1c(C)ccc2ccccc12 83204385 PNQDLEJUSRDGOX-BUHFOSPRSA-N 302.373 5.053 30 10 DKEE CCCC(CS)(CCC)CSc1ncccc1Cl 94589697 IPTJFDDYLDZTPF-UHFFFAOYSA-N 303.924 5.344 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2)cc1)/C=C/c1ccccc1 103044068 GOFPAMAIGLQTMP-XINBEAJESA-N 310.396 5.649 30 10 DKEE CCCCCCCCCCCCCC1=N[C@@](CC)(CO)CO1 111899631 CZTMWKFITKPOPK-IBGZPJMESA-N 311.510 5.257 30 10 DKEE CCCCCCCC[C@H](CSc1ccc(F)cc1)NCC 117402977 UXUXXCMKQLVREZ-QGZVFWFLSA-N 311.510 5.647 30 10 DKEE CCCCCCCCCCCC(=O)c1c(Cl)cnn1CC 123811567 VNOAHGLTKCLXIR-UHFFFAOYSA-N 312.885 5.660 30 10 DKEE CCCCCCCCC[C@H](N)c1sccc1Br 128362121 KVIUZBGMSGRAAX-ZDUSSCGKSA-N 318.324 5.651 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Cl)ccc1Br 233162132 FBZKLPVROFIWQI-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cccc(Br)c1 233609155 OTDIWOMQMSZYRL-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE CCCC(CS)(CCC)COc1ccc(C#N)cc1Cl 313009206 VYTRZNXGFZMBLO-UHFFFAOYSA-N 311.878 5.107 30 10 DKEE C=C(CC)C[C@@H](NC)c1cc(Cl)c(C)cc1Br 379824859 URTCNPRQPTZDBF-CQSZACIVSA-N 316.670 5.028 30 10 DKEE CC(C)c1ccc([C@H](C#N)C(=O)c2csc(Cl)c2)cc1 380864269 FVLAMHKISLKNPO-AWEZNQCLSA-N 303.814 5.015 30 10 DKEE CCCCCCCCC[C@@H](CCOCc1ccccc1)NCC 395564964 OHUVQUCYAFCUQT-NRFANRHFSA-N 319.533 5.712 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)cc(F)c1F 692165090 HUJFVEVUWKCFED-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(Br)c(F)c1C 696131319 OPWVVYIJCUMJMJ-CQSZACIVSA-N 315.226 5.067 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)C1CCCCCC1 698893832 VZYKVUMIDCEPBS-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE CC1(C)CCCCC[C@H]1Nc1cccc(Br)c1C#N 718965545 KRPVWADSNMOVEU-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE Clc1cccc(C=Nc2cc(Cl)c(Cl)cc2Cl)c1 1084042261 BPVDEMBTZLWSTQ-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE CC(C)=NNc1nc2c(Cl)cc(Cl)c(Cl)c2s1 1615890319 HEGQGYVYPWOGGP-UHFFFAOYSA-N 308.621 5.064 30 10 DKEE Fc1c(-c2ccc(OC(F)(F)F)cc2)cccc1C(F)(F)F 1848363525 APAWYFUCTZRTAJ-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCC[C@@H](C)N(C(=O)c1cccc(C#N)c1)c1ccc(C)cc1 1859999550 SUDNMMYWICJPGZ-QGZVFWFLSA-N 320.436 5.092 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cscc1OCc1ccccc1 1934840176 XIMUKHYPKLJPBW-KXBFYZLASA-N 315.482 5.190 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@]1(C=O)CCCC(C)(C)CC1 1939897690 CBXJCAVYNPXBDQ-NQIIRXRSSA-N 316.485 5.405 30 10 DKEE C=C(CN(Cc1ccccc1)C1CCCCC1)c1ccccc1 1990768875 WCJJUGMMKKKNGN-UHFFFAOYSA-N 305.465 5.535 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)C(C)(C)CO 1995329350 ZXKKROJJCZRDSG-UHFFFAOYSA-N 317.517 5.176 30 10 DKEE CC[C@](C#N)(Cc1ccc(Cl)c(Br)c1)C(C)C 2012417170 QPEGQUFPOLAUHC-CQSZACIVSA-N 314.654 5.221 30 10 DKEE C=CCC(C)(C)OCc1ccc(Cl)c(Br)c1F 2014043881 ZWVNPYOYIUYNNS-UHFFFAOYSA-N 321.617 5.113 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(C)ccc2Br)CC1 2061178965 NIJYSNGTYKAZDR-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(C)cc1Br 2085918185 XLGNFZNKULFPEX-INIZCTEOSA-N 311.263 5.318 30 10 DKEE N#Cc1cccc(-c2csc(-c3cscc3Cl)n2)c1 2089961780 XQDIZENWKYJRFX-UHFFFAOYSA-N 302.811 5.064 30 10 DKEE C=C1CCC(C[C@H](N)c2ccc(C)c(Br)c2C)CC1 2098445735 RARIJMQVDDYXNC-INIZCTEOSA-N 322.290 5.202 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCCCC23CC3)cc1Br 2117003064 CXXGHYJVEQPZND-KRWDZBQOSA-N 318.258 5.164 30 10 DKEE C=CCCCCCCCC[C@@](C)(O)c1ccc(Cl)s1 2142439832 CYIPVONEMPCRKE-MRXNPFEDSA-N 300.895 5.916 30 10 DKEE C[C@@H]1C[C@](C#N)(Nc2cccc(Cl)c2)c2ccsc2S1 2152751213 XCOBEJRMYIIHKM-MEBBXXQBSA-N 320.870 5.117 30 10 DKEE C=C([C@@H](NC)c1ccc(SC(F)(F)F)cc1)C(C)(C)C 2164135397 OFYMURMKSCCAQZ-CYBMUJFWSA-N 303.393 5.161 30 10 DKEE C=CCC(C)(C)CNCc1ccc(C(F)(F)F)c(Cl)c1 2164679834 DREDZLAYUAWSMM-UHFFFAOYSA-N 305.771 5.051 30 10 DKEE C=CC1(CC(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 2168007814 OXGWLKOBDZJFJL-UHFFFAOYSA-N 302.723 5.288 30 10 DKEE C[C@H](N(C)CCCCCCCCCS)[C@@]1(C)CC1(F)F 2172726010 SZGVSKUTMLIDCE-LSDHHAIUSA-N 307.494 5.013 30 10 DKEE CCCCCCCCCCN1CCC(P(C)(C)=O)CC1 2195681681 IXWJJKICOLRMGH-UHFFFAOYSA-N 301.455 5.214 30 10 DKEE C=C(c1ccccc1)[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 2197150014 JQDWNTIAVORLEV-MRXNPFEDSA-N 311.183 5.053 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Br)s1 2214613120 KIZXDAHXOPEJDZ-GFCCVEGCSA-N 316.308 5.427 30 10 DKEE CCC(=CC(=O)c1cc(Cl)ccc1OC(F)(F)F)CC 2239590172 PGYNLCPBKZCALD-UHFFFAOYSA-N 306.711 5.168 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccccc1NC(=O)OC(C)(C)C 2244640706 GYMNZPBWEUPVOQ-QGZVFWFLSA-N 319.445 5.204 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Cl)cc(Br)c1 2250160880 FOQRPTKULHNHPY-CQSZACIVSA-N 316.670 5.239 30 10 DKEE C=C[C@@H](C)CCNc1ccc(C(F)(F)F)cc1Br 2260404328 IHPBUZLJDVDMCR-SECBINFHSA-N 322.168 5.092 30 10 DKEE CCCCCCCOc1ccnc2ccc(Br)cc12 2269667684 ZEDVUHMRLMFZAV-UHFFFAOYSA-N 322.246 5.347 30 10 DKEE C=CCC(C)(C)Oc1cc(Cl)sc1CN[C@H](C)CC 2272680074 DYDNGMKGOGOPHE-LLVKDONJSA-N 301.883 5.023 30 10 DKEE CCCCCCCCC(=O)C#Cc1ccc(Br)cc1 2278786660 QUAUSYRYHKKCDI-UHFFFAOYSA-N 321.258 5.120 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286472517 HTOBDAAOVQWOGW-QGZVFWFLSA-N 314.300 6.089 30 10 DKEE C=CCCCCCCCS[C@@H](c1ccsc1)[C@@H](N)CC 2287096699 NXPRMFJMZWTAOF-IRXDYDNUSA-N 311.560 5.786 30 10 DKEE C=CCC[C@H](C)[C@H](OCCCN)c1cc(Cl)ccc1Cl 2293141816 LUTNZTMZGQOLOQ-LRDDRELGSA-N 316.272 5.002 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(Cl)c(Cl)c(Cl)c1 2321174706 OAXXHYRJHVFPDC-CQSZACIVSA-N 305.632 5.822 30 10 DKEE CCCOc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2323047568 ZKXBHRHYLCLLHS-UHFFFAOYSA-N 316.400 5.525 30 10 DKEE C=CC[C@@H](C)Sc1c([C@H](C)NCC)ccc(Cl)c1F 2335246689 YFNWYASWZLKGBS-MNOVXSKESA-N 301.858 5.206 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)cc(F)c1Cl 2344379349 XNBBHNIFHRIYHU-GJZGRUSLSA-N 304.236 5.385 30 10 DKEE Cc1c(COC[C@H](CS)CC(C)C)ccc(Cl)c1Cl 2353833903 JDXVMXCMEQGFMV-GFCCVEGCSA-N 321.313 5.411 30 10 DKEE CCCCCCC[C@@H](C)NCc1nc(C(F)(F)F)cs1 2360806676 YMTOOIKWPNVBHE-LLVKDONJSA-N 308.413 5.001 30 10 DKEE N#C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCCC12CC2 2366909972 ONDJBEVJPURAML-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE CCCCCCC[C@@H](NCC)c1csc(C(C)(C)F)n1 2367798888 VHSLXEBZOQEABF-CYBMUJFWSA-N 300.487 5.359 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2377347131 ZHGLGBCOTQQIPP-MRXNPFEDSA-N 320.279 6.144 30 10 DKEE C=C(C)COc1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21 14548843 DRIZJZGZPHJSTL-KKVAFCGZSA-N 323.461 5.530 30 10 DKEE CC[C@@H](Nc1cc(C#N)cc(F)c1C)c1ccc(Cl)cc1 37089335 GCYXRTOGGGTVFO-MRXNPFEDSA-N 302.780 5.222 30 10 DKEE N#Cc1ccc(Nc2ccc(F)c(Cl)c2)cc1C(F)(F)F 37306432 PSGGLBDCKIOFSF-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)cc2Cl)CCc2ccccc2C1 87998190 CQZJDLZCICMTTP-SFHVURJKSA-N 316.231 5.235 30 10 DKEE CC(C)c1ccc(C(=O)/C=C\Nc2ccc(F)c(Cl)c2)cc1 103029950 ZSLRNVQGWZBNNS-KTKRTIGZSA-N 317.791 5.411 30 10 DKEE CCCCCCCCO[C@@H](c1ccccc1Cl)[C@H](N)CC 109988716 OORQOMZQPLJPEE-MSOLQXFVSA-N 311.897 5.496 30 10 DKEE Cc1ccccc1CS[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110354960 AGRBXWFLOHQFTD-NXHRZFHOSA-N 301.499 5.583 30 10 DKEE CC(C)c1ccccc1Oc1cccc(Br)c1C#N 168621220 LJBVLGUOQNYSKS-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1cc(Cl)c(F)c(Cl)c1 232039710 DYLWQSXQBLLBFQ-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1cc(Cl)sc1Cl 312580473 LIQUNAUGXWEMPU-SNVBAGLBSA-N 317.628 5.385 30 10 DKEE CCCCCCCCCCCC[C@@H](O)C1(SC)CCC1 383369058 MWZGPQUPPADLND-QGZVFWFLSA-N 300.552 5.944 30 10 DKEE C[C@H](C1CC1)N(Cc1ccccc1)C[C@@H](C#N)C1CCCCC1 397456227 NBJIWBXQDKDLRO-DYESRHJHSA-N 310.485 5.007 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 715716612 ARDHYIMGODBENZ-XMSQKQJNSA-N 323.480 5.519 30 10 DKEE C=CC[C@H](O)[C@]12C=CC[C@@H]1[C@@H]1CC[C@@H]3CCCC[C@@H]3[C@H]1CC2 1082166373 FTAJQPVAFOWCFP-VBANPHMBSA-N 300.486 5.112 30 10 DKEE CCCCCCCCCCNC(=O)CCc1ccc(Cl)cc1 1861871038 HDICNYXNJADUNI-UHFFFAOYSA-N 323.908 5.530 30 10 DKEE CCCCCCCCNC(=O)[C@@H](CC)c1ccc(Cl)cc1 1868191886 DSSZDQFGNDNWEQ-KRWDZBQOSA-N 309.881 5.310 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1cccc(OCc2ccccc2)c1 1899885632 VMMHPAWEXFSQKL-DYESRHJHSA-N 309.453 5.128 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CCCC2)C1 1916403054 VDOCZODRTMRMAM-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(C)c(Br)o1 1917531719 BRKWGDIFSFFKDP-ZDUSSCGKSA-N 314.267 5.138 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCCCCCCCC)NC 1922081599 YRZBECNXDWHWPB-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE CCCCCCC[C@H](N)c1cscc1OCc1ccccc1 1934839339 QVTSAFYDIXSWCN-SFHVURJKSA-N 317.498 5.687 30 10 DKEE CCCCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 1990095246 ZYSZKHCMZDNGRZ-LJQANCHMSA-N 322.493 5.419 30 10 DKEE CCCCCCC[C@H](O)c1cc(C)cc(Br)c1F 2028919613 ROXMLWGQZIHNQR-AWEZNQCLSA-N 317.242 5.291 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(C)cc(Br)c1 2040533351 KODZOZAPZJSWBJ-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=CCCCCC[C@@](N)(CC)c1ccc(Cl)c(Cl)c1 2098391556 VLQOLZJDUOXZKV-INIZCTEOSA-N 300.273 5.694 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(Cl)c(Cl)s1 2098757967 LERHZTIWMLCRHU-ZDUSSCGKSA-N 322.345 6.586 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1c(Cl)cccc1Cl)NCCC 2116655797 KCUARLBGKNJRIW-CHWSQXEVSA-N 300.273 5.116 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCCCC1(C)C 2117015422 VNYUPZLBRVWFTC-QGZVFWFLSA-N 320.274 5.410 30 10 DKEE CCCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1OC 2139389306 YXBXCRAVTDTJMN-ZDUSSCGKSA-N 304.261 5.362 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1cc(Cl)sc1Cl 2141924217 ZQPHCVVNIZRYLB-CYBMUJFWSA-N 321.269 5.184 30 10 DKEE CCCCCCCC[C@H]1Nc2cc(Cl)cc(Cl)c2O1 2142459413 VXBNTWJEENLHIH-AWEZNQCLSA-N 302.245 5.874 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(F)c(Cl)c1F 2164213516 AAKDYTAGDBFPPN-BDJLRTHQSA-N 301.808 5.261 30 10 DKEE CCCCCCCC[C@H](NC)[C@H](O)c1cc(C)c(Cl)s1 2165432821 RNIOWYWTAXIHTN-ZFWWWQNUSA-N 317.926 5.082 30 10 DKEE CC1(CC(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)CCCC1 2168894140 HFMOSQXNWWCQJT-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE C#C[C@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1)C1CCCC1 2204038338 HCIMCLPYLNNZNW-DLBZAZTESA-N 310.268 5.226 30 10 DKEE Cc1sc(C(=O)C2=CC[C@H](C)CC2)c(C)c1Br 2213755396 KPJAYBBUIWEBMK-QMMMGPOBSA-N 313.260 5.057 30 10 DKEE C=CCCCCCCCNCc1cc(Cl)sc1Cl 2220092964 OQSZZNLCHVIKBN-UHFFFAOYSA-N 306.302 5.671 30 10 DKEE N#Cc1cc(Br)cc(NCCCCCCC2CC2)c1 2225813376 VYSSJEMFJMXKDR-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234052781 BXYYOZAWNYEJNB-BXUZGUMPSA-N 312.240 5.386 30 10 DKEE C=CCCCCCCC[C@](C)(O)c1cc(Cl)ccc1Cl 2235531716 CCOQPXFHSILEPR-KRWDZBQOSA-N 315.284 6.118 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H](C)C(F)(F)C(F)(F)F 2240639555 GTIFTBCCJCTFEI-RYUDHWBXSA-N 303.359 5.301 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1coc(Br)c1 2259239102 YYXFXQKMTYMIMV-CQSZACIVSA-N 314.267 5.219 30 10 DKEE CCOc1ccc(C(=O)C=Cc2ccccc2C(F)(F)F)cc1 2297271397 BDEFOFKJHYVJGR-UHFFFAOYSA-N 320.310 5.000 30 10 DKEE CC(C)C[C@H](CS)CSc1cc(Cl)ccc1Cl 2308062766 RUMWBQWPAANPQX-SNVBAGLBSA-N 309.327 5.678 30 10 DKEE CC(C)(C)[C@H](CS)COCc1cccc(Cl)c1Cl 2317167788 LWOSUCVPCBBSMW-NSHDSACASA-N 307.286 5.102 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(Br)cc1CC 2319287582 YASAQBKFTBSCKV-INIZCTEOSA-N 310.279 5.018 30 10 DKEE C=CCC(CC=C)[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 2338728718 YDNCKAFPJKJFHN-OAHLLOKOSA-N 302.220 5.075 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2cc(C3CC3)ccc2Cl)N1 2363451231 MDNVXSPBPAYWSX-INIZCTEOSA-N 308.878 5.100 30 10 DKEE C[C@H]1CCCC[C@]1(C=O)CCCc1cc(Cl)cc(Cl)c1 2366848138 IWZYHSFEJDBVPH-SUMWQHHRSA-N 313.268 5.712 30 10 DKEE CCCC[C@@](C=O)(CC)CCCc1cc(Cl)cc(Cl)c1 2366848204 KBBBMZZBQGQHPO-KRWDZBQOSA-N 315.284 6.102 30 10 DKEE C=C(c1ccccc1)[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2366863183 LQGVOBMZSVQHAF-KRWDZBQOSA-N 307.220 5.000 30 10 DKEE C#CCCCC[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377316024 QIOMFTZKFAXPEU-MRXNPFEDSA-N 316.247 5.367 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C)s1)N2 14456696 QMAYNARSSBVOMW-FTRWYGJKSA-N 323.461 5.448 30 10 DKEE C(=N/N=C/c1ccc2ccccc2c1)\c1ccc2ccccc2c1 38823384 UQJABCCEECUOII-DFEHQXHXSA-N 308.384 5.446 30 10 DKEE N#Cc1ccc(CSCc2ccc(Cl)cc2Cl)cc1 58238515 QYZJFNYFUQTORH-UHFFFAOYSA-N 308.233 5.298 30 10 DKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1sccc1C 83192694 NLXKPFXIFJIIRP-VQHVLOKHSA-N 314.450 5.259 30 10 DKEE C=CCOc1ccccc1CNc1c(Cl)cccc1Cl 88168126 CZVRSXFGYSYFPQ-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE SCC1(COc2c(Cl)cccc2Cl)CCCCCC1 94584818 TXEPLWKWUOIEBN-UHFFFAOYSA-N 319.297 5.643 30 10 DKEE CCCCCCCCN[C@H](C)c1ccccc1O[C@@H](C)CC 100048569 BMSUMUCDSNKDOB-ZWKOTPCHSA-N 305.506 5.875 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)sc1Cl 115062669 XRNNUDNXAFIEIF-LBPRGKRZSA-N 308.318 6.195 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H]1CCCCS1 157637605 VGDSRSOIQAVYJI-QZTJIDSGSA-N 300.552 5.944 30 10 DKEE CCCCCCCCCCCC[C@@H](O)C(CC)(CC)OC 161962983 AMGUYJPXSHQYRA-GOSISDBHSA-N 300.527 5.864 30 10 DKEE CCSc1cccc(NCCC2CCC(C)CC2)c1C#N 167597788 YFDPDHRRMKZRTR-UHFFFAOYSA-N 302.487 5.299 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1sccc1OC 229285971 AQUATQLHAOYWPR-INIZCTEOSA-N 312.519 6.101 30 10 DKEE C[C@@H](Nc1ccc(C(C)(C)C#N)cc1)c1csc(Cl)c1 235242895 WUFXFJRBPOPTNH-LLVKDONJSA-N 304.846 5.376 30 10 DKEE C=CCCCCC[C@H](O)c1cc(C)c(Br)c(C)c1 235749995 ZMEUZFNADPFGPJ-HNNXBMFYSA-N 311.263 5.236 30 10 DKEE Cc1ccccc1CS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 251138181 AGRBXWFLOHQFTD-CGTJXYLNSA-N 301.499 5.583 30 10 DKEE Cc1cc(C)c(C=Nc2ccc(Oc3ccccc3)cc2)c(C)c1 257352570 MAXKFTMPCZSKHZ-UHFFFAOYSA-N 315.416 6.155 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 387478614 VGCZEHZMGYIGQG-MRXNPFEDSA-N 316.272 5.015 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@](C)(C#N)c1ccccc1 405661438 FUYZDDDOJRTBCN-CXAGYDPISA-N 314.226 5.034 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](C(C)C)C1 698375883 KHGUGCAQADFZSE-FCEWJHQRSA-N 322.493 5.131 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)C1CCCCCCC1 712344744 LCJJKEOFKARMJI-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C(F)F)c1 1241410164 SHQIEHKSJMQZTM-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CCCCOc1ccc(C#Cc2c(Cl)cccc2Cl)cc1 1614705578 GGJZMDLJQVSETO-UHFFFAOYSA-N 319.231 5.572 30 10 DKEE N#Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl 1848360128 WDNLUXRYJNYSEM-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C/C(CCc1ccccc1)=N\OCc1cc(Cl)ccc1F 1860465854 UMGFGYZGKSZGCV-DEDYPNTBSA-N 305.780 5.004 30 10 DKEE C=C([C@H](O)c1cc(Cl)c(C)cc1Br)C(C)(C)C 1947451242 HUKSWLLPQHLMNX-ZDUSSCGKSA-N 317.654 5.047 30 10 DKEE CCCCCCCCC(=O)c1sc(Br)cc1C 1950210078 JZHVWDRBTJXVCX-UHFFFAOYSA-N 317.292 5.752 30 10 DKEE C=CCC[C@H](C)N[C@@H]1CCC(C)(C)C[C@@H]1OCc1ccccc1 1979634489 DZZVADWSDWQXFD-SXLOBPIMSA-N 315.501 5.095 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Br)s1 1996468594 VNRCJYJSXOIDCZ-RISCZKNCSA-N 316.308 5.154 30 10 DKEE C=CC1(C[C@@H](NC)c2ccc(OCc3ccccc3)cc2)CCC1 2002639864 VJJKSDLKEPEEJY-OAQYLSRUSA-N 321.464 5.273 30 10 DKEE Cc1ccc(C#N)c(Oc2cccc(Br)c2Cl)c1 2040196298 JMBBVIQIPLEEBX-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCN1CCCc2c(Br)cccc21 2088782228 OEAJWJJZEYJXSG-UHFFFAOYSA-N 324.306 5.562 30 10 DKEE CCCCCCC[C@@H](NCC)c1c(Cl)cncc1Cl 2107855152 GQUOMIRNFMTDDE-CQSZACIVSA-N 303.277 5.400 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccc(Br)cc1F 2117013479 JHPLVHOXJMGVRT-INIZCTEOSA-N 324.237 5.241 30 10 DKEE Fc1cc(NCC#CC2CCCCC2)c(Cl)cc1Cl 2138952454 KOHXRLBIBGBWDJ-UHFFFAOYSA-N 300.204 5.128 30 10 DKEE CCCCC#CCC[C@H](NCC)c1ccccc1Br 2138982360 VWVOQWTYNFWKQG-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=C([C@H](NC)c1c(Cl)cccc1C(F)(F)F)C(C)(C)C 2152949419 AOKSKJVHICPYRN-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE CCCC#CC[C@H](O)c1ccc(-c2ccccc2Cl)s1 2203779021 PWEIJMHGNVOOJO-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE CCCCCCC[C@@](C)(O)c1c(OC)ccc(Cl)c1F 2207326963 VXGPWXUFCIOHHY-MRXNPFEDSA-N 302.817 5.056 30 10 DKEE CCCCCCCC[C@@H](C)N[C@@H](C)CCOCc1ccccc1 2212664571 QCZGSQAOZIHCAM-UXHICEINSA-N 319.533 5.711 30 10 DKEE C=CCCCCCCC[C@@H](N)c1sccc1Br 2214613271 LXOBGJWSUFDRMQ-CYBMUJFWSA-N 316.308 5.427 30 10 DKEE CCCCCCCCCCOc1cccc(Br)n1 2223236234 YYIJQOQHYMDLPN-UHFFFAOYSA-N 314.267 5.364 30 10 DKEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)s1 2234290460 XTOVJMVJFROKTM-NSHDSACASA-N 324.232 5.162 30 10 DKEE C#C[C@H](N[C@H](C)c1cc(Cl)cc(Cl)c1)C1CCCCC1 2238003196 HRAKWVOECGRESP-PXAZEXFGSA-N 310.268 5.226 30 10 DKEE CCc1cc(Cl)ccc1NCc1ccc(C#N)cc1Cl 2240509964 WAAIPHSVNAGIFR-UHFFFAOYSA-N 305.208 5.040 30 10 DKEE C=CCCCCC[C@H](O)c1sc(Br)c(C)c1C 2247229641 YTXONTJNCRAXOB-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(Br)c(C)c1C 2247230436 HSMZMCPARVQFGL-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE CC1(CSCCCCCCS)CC(C(F)(F)F)C1 2259112010 KUZLBQUIRKQIND-UHFFFAOYSA-N 300.455 5.188 30 10 DKEE CCCCCCC[C@@H](NCC)c1csc(Cl)c1OC 2268920566 YSBHOLPNIQLEAJ-CYBMUJFWSA-N 303.899 5.421 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(Cl)c(Cl)cc3C)C[C@@H](C1)C2 2281500422 OYDQMONCTFXSQT-PBWFPOADSA-N 310.268 5.849 30 10 DKEE C=CCCCS[C@H]1CCCCCCC(F)(F)[C@@H]1NCC 2287069246 PWIJGPMJMNQFOU-LSDHHAIUSA-N 305.478 5.022 30 10 DKEE C=CCC[C@H](C)[C@@H](OCCCN)c1c(Cl)cccc1Cl 2293143063 VREQPCWNFVFHBD-BLLLJJGKSA-N 316.272 5.002 30 10 DKEE CCCCCC#CC[C@@H](NC)c1ccc(C(F)(F)F)s1 2295010697 GXELMYIKKUTVOD-GFCCVEGCSA-N 303.393 5.001 30 10 DKEE Cc1cccc(C)c1N=Cc1c2ccccc2cc2ccccc12 2297707802 NBNPXDCBJPOYDA-UHFFFAOYSA-N 309.412 6.360 30 10 DKEE C=CCC(CC=C)C(=O)c1c(Cl)cccc1Br 2301061885 BWRIAQXIXLWCEC-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE C=CC1(C[C@H](NC)c2cc(F)c(Cl)cc2Cl)CCC1 2349867179 AKTLGKCWXZFDCZ-AWEZNQCLSA-N 302.220 5.139 30 10 DKEE C=CCCC[C@H](Cc1cc(F)c(Cl)cc1Cl)NCC 2349878617 SQJFBMQXBUYCAM-GFCCVEGCSA-N 304.236 5.009 30 10 DKEE CC(C)CC(CC(C)C)OCC1(CS)CCCCCC1 2360346597 GPUIROHHIHBSPO-UHFFFAOYSA-N 300.552 5.734 30 10 DKEE CC[C@](C)(CCCC(C)C)OCC1(CS)CC(C)(C)C1 2371134978 ZIBKIBPEBBWQIC-QGZVFWFLSA-N 300.552 5.734 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1cc(F)c(Cl)cc1Cl 2377397422 AXQVFEBLJARKNB-NEPJUHHUSA-N 318.263 5.255 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 19887300 JMCQCLKGRXXARE-LZLYRXPVSA-N 306.796 5.038 30 10 DKEE O=[N+]([O-])c1ccccc1N/N=C1\CCCC[C@H]1C1CCCCC1 33687708 OOWUMIPCSCAJMD-NXSRCCIVSA-N 315.417 5.133 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(C(C)C)cc2)C1 37154759 PPODESDLAOGLOD-SZVBFZGTSA-N 301.499 6.011 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccccc1SC(F)F 59089773 JDTROPGUMJGFCH-CYBMUJFWSA-N 301.446 6.162 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426877 BBBWJFHIPUJUJO-OUCADQQQSA-N 308.878 5.182 30 10 DKEE CCc1ccsc1C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 94531381 VMCFSPUPNWYGAS-LLVKDONJSA-N 324.232 5.107 30 10 DKEE Cc1ccc(/C=C2/CCC/C(=C\c3ccc(Cl)cc3)C2=O)cc1 103313499 QOKNXIAPRMGJDX-HJGWPUIUSA-N 322.835 5.868 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1C(F)(F)F 110156104 YQVUMBHXWRGQDN-GWCFXTLKSA-N 316.754 5.243 30 10 DKEE CCCCCCCCCN[C@@H](C)c1ccc(Cl)cc1Cl 110158288 FJUMQPZSBNGCOE-AWEZNQCLSA-N 316.316 6.395 30 10 DKEE CCCCCCCCCC[C@@H](O)COc1ccc(Cl)cc1 135556724 CWLMKLVJHVXPRI-QGZVFWFLSA-N 312.881 5.611 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cccc(C)c1Cl 159122464 HVNGLDJJXOSYMQ-GOSISDBHSA-N 309.925 6.440 30 10 DKEE CC[C@H]1C/C(=C/c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 245311017 LMHGGAQGTONEPF-UNDQBAIOSA-N 302.417 5.543 30 10 DKEE O=C1CCCC=C1c1c(Cl)cc(Cl)c(Cl)c1Cl 304550754 UPESZMFRNGKUGT-UHFFFAOYSA-N 310.007 5.437 30 10 DKEE CCCCCCC[C@H](Cc1sccc1Cl)NCCC 382084581 JWLRWVMJARBKNM-CQSZACIVSA-N 301.927 5.673 30 10 DKEE C=CCCSCCN[C@@H](CC)c1ccc(Cl)c(Cl)c1 696061129 VVIVUCWWBIVPAK-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE CC(C)c1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)C(C)C)cc1 698413332 CMZHPSLMKVDASY-KRWDZBQOSA-N 316.445 5.020 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccsc1C(F)(F)F 707750098 GGJGXSGVLMHSIO-NSHDSACASA-N 316.735 5.097 30 10 DKEE N#Cc1cc2c(SC(F)(F)F)c(C(F)F)ccc2s1 725291523 RHJJJHGLRWPJLS-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CC(C)(C)C1CCC(=NOCc2cc(Cl)ccc2F)CC1 1860465037 IOVWFMPFVOOFBP-UHFFFAOYSA-N 311.828 5.588 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cccc(OCc2ccccc2)c1 1903161706 RTENJWCGCPFWFZ-OAQYLSRUSA-N 308.421 5.441 30 10 DKEE C=CCCCCCc1ccc(Cl)c(Br)c1F 1984520760 AYQYPTUZIZOLCT-UHFFFAOYSA-N 305.618 5.531 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(Br)c(Cl)c2)CC1 1997250045 HTBNQXLWJIBYIJ-SECBINFHSA-N 313.622 5.032 30 10 DKEE C=CCC(C)(C)CN[C@H](C)c1ccc(C)c(Br)c1 2043818535 QNANVATUVHPZJG-CYBMUJFWSA-N 310.279 5.010 30 10 DKEE C=CCCCC[C@H](NCC)c1ccc(C)cc1Br 2059111205 IJHPZZZTNOFJPJ-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C#CC[C@H](C)C[C@@H](NCCC)c1cc(Cl)sc1Cl 2076089689 WSPYGPHHFCJKLK-CMPLNLGQSA-N 304.286 5.145 30 10 DKEE CCCCC#CC[C@@H](NCC)c1scc(Cl)c1Cl 2083431680 UOXUMIIFSKTBSR-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE C=CC1(CN[C@H](C)c2cc(Cl)cc(Cl)c2F)CCC1 2111701878 ZPAIWZOULWCIHB-SNVBAGLBSA-N 302.220 5.139 30 10 DKEE CCCC#CCC[C@H](NCCC)c1cccc(Br)c1 2138985510 FYHIGVSQZPSYLT-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ncc(Cl)cc1Cl 2141914895 WCLXRUIITGOKTN-CQSZACIVSA-N 301.261 5.176 30 10 DKEE CCCCCCCCn1c(=N)[nH]c2ccc(Cl)c(Cl)c21 2159699771 RTXAIOOEXDKUGL-UHFFFAOYSA-N 314.260 5.116 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc(C(F)F)cs1 2177438916 XBUGSOCULADRJQ-AWEZNQCLSA-N 301.446 5.863 30 10 DKEE CCN[C@@H](CC#C[Si](C)(C)C)c1cc2sc(C)cc2s1 2187480889 ORPVCEMEWGMANF-ZDUSSCGKSA-N 321.587 5.193 30 10 DKEE C=CC1(CN[C@H]2C[C@H](C)Sc3sccc32)CCCCC1 2189509220 LFAOXHUJXAUPAK-ZFWWWQNUSA-N 307.528 5.400 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Cl)cc(C(F)(F)F)c1 2200836660 SVJIRKAAZNVALB-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCCCCC#CC[C@](C)(N)c1cc(F)c(Cl)cc1Cl 2203818361 FKXHYOOHAVNYLN-INIZCTEOSA-N 316.247 5.280 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cscc1C(F)F 2207395803 HBGGSRMCNXHLDD-HNNXBMFYSA-N 302.430 6.026 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(C)cc1Br 2227289483 UZNDXKPTNNUCBK-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE CCCCCCC[C@@H](NCC)c1nc(C(C)(F)F)cs1 2234822909 IYBXZXFDVNJRSP-GFCCVEGCSA-N 304.450 5.266 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccccc1OCc1ccccc1 2244639172 KQHBCOIDYMXOIM-FQEVSTJZSA-N 310.437 5.436 30 10 DKEE C=C(C)CCCC[C@]1(N)CC[C@@H](C)C[C@H]1OCc1ccccc1 2244644336 LZIUZNQJXYQHOR-NRSPTQNISA-N 315.501 5.226 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc2cscc2s1 2287464920 FEQZAAAZLVAGFI-OAHLLOKOSA-N 307.528 6.140 30 10 DKEE Cc1ccc2cc(C=CC(=O)c3cccs3)c(Cl)nc2c1 2296749401 PSYPLRBBSDXLSS-UHFFFAOYSA-N 313.809 5.154 30 10 DKEE CCOc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1Cl 2322974138 CWRXTRFZKREYGH-UHFFFAOYSA-N 323.223 5.147 30 10 DKEE Cc1ccc(NN=Cc2ccc(OC(C)(C)C)cc2)cc1Cl 2322974685 OKMTVZCVJIBFOL-UHFFFAOYSA-N 316.832 5.272 30 10 DKEE CC(C)(C)[C@@](C)(CS)COc1cccc(Cl)c1Cl 2327101031 WJPUUKIKIQENLQ-CQSZACIVSA-N 307.286 5.354 30 10 DKEE C[C@@H]1C[C@](C#N)(CCCCC(F)(F)C(F)(F)F)CCS1 2368164328 HTKWBUXCCWZPHG-MNOVXSKESA-N 315.351 5.170 30 10 DKEE C=C(C)COc1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21 14548842 DRIZJZGZPHJSTL-PTSWNOGYSA-N 323.461 5.530 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)c(Cl)c1 36954193 WGGCSOPZSNKNFM-SECBINFHSA-N 309.171 5.177 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(Cl)c1 36963953 GMTWKBCQBVSBFG-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCC1CCC(c2nc3ccccc3n2CCCC#N)CC1 57868921 GTPIFNVYLSZKEP-UHFFFAOYSA-N 323.484 5.804 30 10 DKEE c1ccc(-c2n[nH]c(-c3ccccc3N=C3CCCCC3)n2)cc1 95946439 WXKDHPWCTIHDMF-UHFFFAOYSA-N 316.408 5.175 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1 106097317 UFIPYLYFMDGBBS-UHFFFAOYSA-N 324.468 6.119 30 10 DKEE CCCCCCCCCCC(=O)CSc1ccccc1F 116676423 ZCMFNIAHBNXWJM-UHFFFAOYSA-N 310.478 6.018 30 10 DKEE C=C(Br)Cn1c(-c2ccccc2)cc2ccccc21 128467539 FTBSXNPSMIMDPC-UHFFFAOYSA-N 312.210 5.217 30 10 DKEE CCSc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)s2)cc1 134879238 JABVVIPQCQDAHV-STQMWFEESA-N 316.495 5.144 30 10 DKEE CCSc1cccc(Nc2cccc(Cl)c2F)c1C#N 136618852 JERJCLYFGLXFKW-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE N#Cc1ccc(Oc2ccc(Cl)c(F)c2)cc1C(F)(F)F 156269448 ZZQYNJGMONPWIO-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE Cc1ccc(Cl)cc1Oc1ccc(C#N)cc1Br 213807042 HCHQDTHWIMKIIB-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CC[C@H]1CCC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C 221053777 ZFYFRNMMJJEPEC-IRXDYDNUSA-N 301.430 5.093 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1nc(C(C)(C)C)cs1 228752041 UNBFNIPNIQNIFD-OAHLLOKOSA-N 310.551 5.451 30 10 DKEE C=C(C)COc1cc(SCc2ccccc2)ccc1C(C)=O 261080158 ZQQOWPAWGJVYFR-UHFFFAOYSA-N 312.434 5.136 30 10 DKEE C=CCCCCCC/C=C/C=C\[C@@H](C)NC(=O)OC(C)(C)C 309630662 UXKALWRJRKKTTH-LXNNGZASSA-N 307.478 5.539 30 10 DKEE CCSc1cccc(Oc2cc(F)ccc2Cl)c1C#N 312305501 VOACWCBFWIVMJL-UHFFFAOYSA-N 307.777 5.255 30 10 DKEE C[C@H](/N=C(/O)C[C@@H]1CCCCN=C1O)c1cccc2ccccc12 328801040 YZDFMOOCJBSZJJ-HOCLYGCPSA-N 324.424 5.004 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)[C@H](C)C2CC2)C1 386058942 GUCOYXBESAAFMW-YHBROIRLSA-N 324.512 5.396 30 10 DKEE CCCCCCCCOc1ccc(Br)cc1OC 386084030 HNMXKCGSGUKIGO-UHFFFAOYSA-N 315.251 5.197 30 10 DKEE CC(C)CC(CC(C)C)Nc1ccc(Br)c(C#N)c1 690216794 NVEWOHYZNLHJPP-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE C=CCC1(n2c(S)nc3ccc(Cl)c(C)c32)CCCC1 690712460 KQMGSDPRNIHQTR-UHFFFAOYSA-N 306.862 5.132 30 10 DKEE Cc1cc(O[C@H](C)CC(C)(C)C#N)c(C)c(C)c1Br 695787416 MYODDHNZPLBONJ-LLVKDONJSA-N 324.262 5.082 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)Sc1ccc(Br)cc1 704940268 ICWNPXHNCAEACT-KCPJHIHWSA-N 324.287 5.260 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 1901007692 HPJLIRNRQJXTMS-OAQYLSRUSA-N 308.421 5.067 30 10 DKEE Cc1cccc(C(=O)C=C2CCCC2)c1NC(=O)OC(C)(C)C 1983504109 WTNIQNXRPPIDNQ-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccccc1CNC(C)(C)C 2013174887 ZRJOTLNPDUFCGN-UHFFFAOYSA-N 322.496 5.157 30 10 DKEE C=CCCN(Cc1ccccc1)c1cccc(C)c1CNCCC 2020021995 VUIFYNRLQNIXES-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE CCCCCCCCCOc1cc(C)cc(Br)c1 2049636850 PKFKDELXOHPTKD-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)s1 2099898911 NVPPKIVZHVXQKJ-GFCCVEGCSA-N 323.333 5.700 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2102109897 BZDNAVCMLZPUDX-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCCC(=O)c1cc(Cl)sc1C 2107840335 WMFBNBWITRUWIU-UHFFFAOYSA-N 300.895 6.423 30 10 DKEE CCCCCCCCCCC(=O)c1sc(Cl)nc1Cl 2108234072 LTZWNQOACMUUHN-UHFFFAOYSA-N 322.301 6.163 30 10 DKEE C=C1CC([C@@H](NCCC)c2cc(C)c(Br)cc2C)C1 2136362828 GLOGDRVQXILKHB-QGZVFWFLSA-N 322.290 5.073 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccsc1C(F)(F)F 2157629224 UAQAHRWIVBWBPC-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE CCCCCCCCCCCC[C@H](O)CCP(C)(C)=O 2177197996 TWKDGPXGUKFMIM-KRWDZBQOSA-N 304.455 5.671 30 10 DKEE C=CCCCCC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2179678728 JFTXZNQGJZLCOX-UHFFFAOYSA-N 304.842 5.998 30 10 DKEE CCCC(CS)(CCC)COC1CC(CC(C)(C)C)C1 2188307896 NDXALGDFFISKCA-UHFFFAOYSA-N 300.552 5.734 30 10 DKEE CCCCCCC[C@@H](N)c1sc(C)c(C)c1Br 2215902266 NZIZZNDRODFIID-GFCCVEGCSA-N 318.324 5.488 30 10 DKEE C=CCCCCCCCSCc1ccc(Br)o1 2250062062 NHMHNLVLGUCJCU-UHFFFAOYSA-N 317.292 5.802 30 10 DKEE C=C(C)CCCCC(=O)c1cccc(SC(F)(F)F)c1 2287469029 BMUWZXDXWNOEIG-UHFFFAOYSA-N 302.361 5.618 30 10 DKEE C=CCCCCCC[C@H](OCC(=O)O)c1cc(Cl)cs1 2292416684 GSZFJRYDOXNRLL-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE CCCCCCC[C@@](C)(OCCCN)c1sccc1Cl 2292789006 BPSDIUSAUJKCJW-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE C=CCC(CC=C)C(=O)c1sc(CC)cc1Br 2301037104 MUYGVLJBCOKISI-UHFFFAOYSA-N 313.260 5.024 30 10 DKEE C=CCCCCCCNc1ccc(C)c(C)c1Br 2315018473 COOOAZCOQNSBBS-UHFFFAOYSA-N 310.279 5.614 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2349840932 PKWAVTNQJKYFKL-OAHLLOKOSA-N 304.236 5.530 30 10 DKEE CCCCCCCC[C@H](O)c1cc(F)c(Cl)c(Cl)c1 2352383220 MBSHKUYAIAIJRV-AWEZNQCLSA-N 307.236 5.917 30 10 DKEE CC[C@H](OC[C@@H](CC)CS)c1ccc(C(F)(F)F)cc1 2369777980 LHDSPZOXRFQWOZ-RISCZKNCSA-N 306.393 5.129 30 10 DKEE CCCCCCC[C@H](O)C(=O)c1cc(Cl)c(C(F)F)s1 2371312283 OHEAQFVPQRPKGH-JTQLQIEISA-N 324.820 5.243 30 10 DKEE C[C@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)cc1Cl 19983289 JUXOYOPBSDSEJQ-NSHDSACASA-N 321.207 5.069 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 37938211 DTTMCFQVZBYDFQ-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE COc1ccccc1S[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 41030610 QUSKROJXGAELCL-JJRVBVJISA-N 303.471 5.142 30 10 DKEE CCCCCCCCN[C@@H](C)c1cccc(C(F)(F)F)c1 59134401 BSDXCXXBONOGEA-AWEZNQCLSA-N 301.396 5.717 30 10 DKEE COc1ccc(C(=O)/C=C/c2sccc2C)cc1C(C)C 83201630 DGWZVHBIEAJFTR-SOFGYWHQSA-N 300.423 5.085 30 10 DKEE Cc1oc(C)c(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)c1C 87199389 ZSNCOJULESVLEF-ZDUSSCGKSA-N 322.191 5.002 30 10 DKEE CCCCCCCCCCCCNC(=O)/C=C\c1ccccc1 105850055 VPKCYQSDPRKOHT-ZCXUNETKSA-N 315.501 5.737 30 10 DKEE N#CC1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1 115309260 VIAGWCCTVXKMIP-UHFFFAOYSA-N 306.167 5.355 30 10 DKEE CCCCCCCC[C@H](CO)c1ccc(Br)cc1 118656139 XQRCPLRBGYFOOA-OAHLLOKOSA-N 313.279 5.276 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1ccc(Cl)cc1F 133843987 NPPHQCJIFHBIPM-GOSISDBHSA-N 314.872 6.433 30 10 DKEE N#CC1(Cc2cc(Cl)ccc2[N+](=O)[O-])CCCCCCC1 156740365 HJOJWBYMYOJCNM-UHFFFAOYSA-N 306.793 5.045 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(F)c(F)c1F 158016145 QNZAPYFTUKIBAU-OAHLLOKOSA-N 301.396 5.505 30 10 DKEE CCCCCCCC[C@@H](N)c1cccc(F)c1Br 159121327 WGSFLYBXNPFHFX-CQSZACIVSA-N 316.258 5.339 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(OCc2ccccc2)cc1 199765911 MIISRSIGNASENG-WJDWOHSUSA-N 314.384 5.162 30 10 DKEE CCCC[C@@H](CCC)Nc1ccc(Br)cc1C#N 226031804 KLILGTXHMQCOBM-CQSZACIVSA-N 309.251 5.092 30 10 DKEE CC[C@@H]1SC(=Nc2cc(Cl)c(C)c(Cl)c2)N[C@@H]1CC 690282727 PMRCBFQXRDAXHN-OLZOCXBDSA-N 317.285 5.183 30 10 DKEE CCC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CC1 698879425 QQZABZAHIRETQH-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCCCCCN[C@@H](C)c1cc(Br)cs1 703732891 FYWXVWCDBMKXHK-NSHDSACASA-N 304.297 5.132 30 10 DKEE Clc1cc(Cl)cc(N=Cc2ccc3ccccc3c2)c1 1084074406 IPAJFSSJYBSPRB-UHFFFAOYSA-N 300.188 5.897 30 10 DKEE COc1ccc(N=Cc2ccc(Sc3ccccc3)o2)cc1 1084282602 SVAJZURQHQNJJJ-UHFFFAOYSA-N 309.390 5.190 30 10 DKEE C/C(=N\OCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 1857935970 LSOZOLPFLIJHDM-XDHOZWIPSA-N 308.208 5.243 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1)c1ccc(C(C)C)cc1 1857936403 KKLQCNJXUSOGRJ-XSFVSMFZSA-N 301.817 5.404 30 10 DKEE C=CC[C@H](C)OC[C@H](NCCC)c1ccc(Cl)cc1Cl 1913341379 NTESBHBJROKCGC-LRDDRELGSA-N 316.272 5.015 30 10 DKEE C=C(COCc1ccccc1)[C@H](NC)c1ccccc1C(C)(C)C 1922092128 PVKFXZAELZNGJQ-NRFANRHFSA-N 323.480 5.018 30 10 DKEE CCCCCCCCC(=O)c1nc(C)c(Br)s1 2000192213 PNCTWUOKXXIEAA-UHFFFAOYSA-N 318.280 5.147 30 10 DKEE CCC[C@](C)(C#N)c1ccc(C(F)(F)F)cc1Br 2046001864 GMGBQOLUZIUQGS-GFCCVEGCSA-N 320.152 5.049 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(C)cc(Br)c1 2070431967 KWBWQZWCTVXBPO-INIZCTEOSA-N 312.295 5.292 30 10 DKEE C=CCCCCCCNc1cc(OC)ccc1Br 2085849223 IZSBRVYNMYBMBZ-UHFFFAOYSA-N 312.251 5.006 30 10 DKEE C=CCCCCCC[C@H](O)c1cccc(Br)c1F 2085917780 TZGWMSZEMANYLV-AWEZNQCLSA-N 315.226 5.148 30 10 DKEE CCCCCCCCCC[C@H](O)c1scc(Cl)c1Cl 2096212123 DRZZQTRVOYRLFM-ZDUSSCGKSA-N 323.329 6.619 30 10 DKEE N#Cc1ccc(-c2csc(-c3cc(Cl)cs3)n2)cc1 2102392873 SQBPAFQSVAZVDI-UHFFFAOYSA-N 302.811 5.064 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H]1CCOc2c(Cl)cc(Cl)cc21 2152864417 JHAKFRXZIAIWFT-IAQYHMDHSA-N 314.256 5.151 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccsc2C(F)(F)F)C1 2168540730 NCTSNNDLYNBADZ-CQSZACIVSA-N 301.377 5.420 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cc(Cl)ccc1Cl 2196175428 YARNYEDQYYOSDU-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(C2CCC2)cc1 2212603279 NRKCSSSUPWTMMM-UHFFFAOYSA-N 305.465 5.532 30 10 DKEE C=CCCCCCCCNc1cc(F)ccc1Br 2220093180 PZQVOKBDTGFXEX-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1ccc(Cl)cc1Cl 2231483208 JVTMLGICUFUEMU-CHWSQXEVSA-N 300.273 5.116 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234057237 MPXBVUZJZYYOFO-FZMZJTMJSA-N 312.240 5.242 30 10 DKEE Cc1cc2sc([C@@H](O)C#Cc3cccc(Cl)c3)cc2s1 2239549465 KJOAQRMXCVJCCK-ZDUSSCGKSA-N 318.850 5.010 30 10 DKEE C=CC[C@H](C)C(=O)c1c(Cl)cc(Br)cc1Cl 2243526599 VZPBSIFODSCCIM-ZETCQYMHSA-N 322.029 5.151 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1csc(Cl)c1OC 2284289550 ZVXWCTNTLCUWPU-CQSZACIVSA-N 313.894 5.035 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@@H](N)C#Cc1cccc(Cl)c1 2286472623 BLLJRVOOTANGQM-INIZCTEOSA-N 324.638 5.007 30 10 DKEE CCCCCCCCC[C@H](C)NCC(F)(F)C(F)(F)F 2295669294 SLHXJCSOLLEOBP-LBPRGKRZSA-N 303.359 5.303 30 10 DKEE C#CCCCCCCN[C@H](C)c1cc(Cl)sc1Cl 2316800030 GFETUNAHDBCFNH-LLVKDONJSA-N 304.286 5.289 30 10 DKEE CC[C@@](C=O)(CCCc1cc(Cl)cc(Cl)c1)C(C)C 2341151935 IODDALYOHQKBFI-INIZCTEOSA-N 301.257 5.567 30 10 DKEE Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2cccs2)cc1 15784101 YSHIAUHMHDCBHC-UHFFFAOYSA-N 306.434 5.555 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2 20692342 OUGFPSJRZJLGPU-WOIUINJBSA-N 317.432 5.386 30 10 DKEE Clc1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1 100033901 JQZAKZOQYBDDHL-XDJDQNRRSA-N 319.795 6.506 30 10 DKEE CCCCCCCCCC[C@@H](Cc1cccc(Cl)c1)NC 109720829 RZBZVDNXICKKMG-IBGZPJMESA-N 309.925 6.001 30 10 DKEE CCCCCCCCC[C@@H](Cc1c(F)cccc1Cl)NC 112899018 NAPFKGPEXULBAS-HNNXBMFYSA-N 313.888 5.750 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccc(Cl)cc1F 112900527 ZEOOXMWMYLIEAH-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCCC[C@H](CSCC(C)C)NCCC 115645488 XPXHUBHNLXZFLD-GOSISDBHSA-N 301.584 5.885 30 10 DKEE CCCCCCCCCCCC#CCCCO[C@@H]1CCCCO1 207139385 OQZJRWQYTAVFSG-NRFANRHFSA-N 322.533 6.234 30 10 DKEE CCCCCCCCCCCCNc1ccsc1Cl 387253227 KMDGTPHXYYVKKN-UHFFFAOYSA-N 301.927 6.734 30 10 DKEE CC(C)(C)[C@@H](C#N)CNc1cc(Cl)c(Cl)c(Cl)c1 404242155 GLVFUPFBFKQEJC-QMMMGPOBSA-N 305.636 5.245 30 10 DKEE N#Cc1cc(Cl)ccc1-c1c(Cl)cc(Cl)cc1Cl 514260988 MAZHGFSIMBQEAL-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE Cc1cccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)c1 698478051 MDOJZCSWSIWVHV-GOSISDBHSA-N 322.408 5.001 30 10 DKEE CCc1ccc(/C(=N/OCc2ccccc2Cl)C2CC2)cc1 821227527 WRZLHJSQBYFDOD-VZCXRCSSSA-N 313.828 5.233 30 10 DKEE C=CC[C@@H](C)SCc1sc(Cl)cc1Br 1893000391 INIDJGXHDALLER-SSDOTTSWSA-N 311.697 5.362 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)CCCCC1CC1 1902165498 LYMGNAPNLPJCPZ-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE CCCC[C@@](C)(C=O)Cc1cc(Br)ccc1Cl 2001881386 QFVHVQRIQDVDEV-CQSZACIVSA-N 317.654 5.040 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccccc1CC 2070125558 SYGGODFJAWJOGC-INIZCTEOSA-N 306.453 5.084 30 10 DKEE C=C1CCC(C[C@@](C)(O)c2cc(Cl)sc2Cl)CC1 2075725514 TVIYPDNQDDJLLP-CQSZACIVSA-N 305.270 5.399 30 10 DKEE Cc1ccc(/C(N=Nc2ccccc2)=N\Nc2ccccc2)cc1 2080522311 FEYZMOAOMKSFOX-KYZOMJKISA-N 314.392 5.553 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1ccc(C)c(Br)c1C 2108007286 TUPXDMKSSYVOCV-GOEBONIOSA-N 322.290 5.073 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1cc(Cl)c(F)c(Cl)c1F 2135961255 RKYZCJPGWIHSKI-SSDOTTSWSA-N 307.171 5.012 30 10 DKEE C[C@H](Cc1ccsc1)N(C)CCCCCCCCCS 2170253062 CAXBNSDCZGWNJX-MRXNPFEDSA-N 313.576 5.271 30 10 DKEE C#CCCCC[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2173491544 SYQCRGXYQOTHMN-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE CCCCCCCC[C@@H](C)NC[C@H](C)COCc1ccccc1 2212662685 UJYLCUDWZCMWES-VQTJNVASSA-N 319.533 5.568 30 10 DKEE COc1cc(Sc2cc(Cl)cc(Cl)c2)ccc1C#N 2225959511 REUFVNQNWJMMJR-UHFFFAOYSA-N 310.205 5.025 30 10 DKEE C=C([C@H](NC)c1ccc(Cl)c(C(F)(F)F)c1)C(C)(C)C 2236311054 UKUPXPRZCRWTQW-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE C=C[C@H](CCCCC)OC[C@@H](N)c1ccc(Cl)cc1Cl 2239489742 LFFOIPAJFGYLJC-CZUORRHYSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(Cl)cc1Br 2250137378 ZAEXPUGHFPMXOM-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE CCCC[C@H](CCC)Nc1c(Br)cccc1C#N 2257481572 GIOGEDJJKCTXQS-ZDUSSCGKSA-N 309.251 5.092 30 10 DKEE C=C(C)CCCC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 2271837557 VKVQYRUKISKLDS-OAHLLOKOSA-N 305.220 5.477 30 10 DKEE CCCCCCCC[C@@](C)(OCCN)c1ccc(Cl)s1 2294291215 WXXIITMSZDBACR-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CCCC3=N[C@H](C)c1ccccc1 2297730428 RJSFOOKMRMBWIY-OAHLLOKOSA-N 302.421 5.363 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1c(Cl)cccc1Cl 2344346354 RUJKKLXWESCYPP-JKSUJKDBSA-N 300.273 5.636 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 2370608218 RZMTZSUNQYTCTH-KBPBESRZSA-N 306.755 5.385 30 10 DKEE CCc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 5954358 ARWFBGWTTZTVPK-WYMLVPIESA-N 302.373 5.405 30 10 DKEE C[C@@H](Nc1ccc(OCC#N)cc1)c1cc(Cl)ccc1Cl 21516475 UXJXYHIOCGEUIY-LLVKDONJSA-N 321.207 5.069 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2Br)C1 37156612 IIUREIYRVMPGLC-SLEUVZQESA-N 324.287 5.260 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H]1CSc2ccccc21 143444020 YUKRSOBFNLGKCA-ZWKOTPCHSA-N 305.531 5.734 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(C)cc1Br 159117480 XPGSTPSKGNSQRZ-MRXNPFEDSA-N 312.295 5.508 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@H]2CCC[C@H](C)C2)C1 251294422 QIIIXVKYJXFDFG-OBVSXPTNSA-N 307.547 6.043 30 10 DKEE CCOc1ccc(C=Nc2ccc(Oc3ccccc3)cc2)cc1 252460186 CJWWHZALLIQIJA-UHFFFAOYSA-N 317.388 5.628 30 10 DKEE Cc1cc(C(=O)C2=CCCCC2)ccc1NC(=O)OC(C)(C)C 405606948 OOPKVCLCABQGLB-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE Cc1ccc(C)c(C#Cc2cc(Br)ccc2Cl)c1 1614826662 JGIJXFNXNVNFJJ-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE Cc1ccc(C)c(C#Cc2ccc(Cl)c(Br)c2)c1 1614827612 NQIUSPXQPDLNOT-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE N#C[C@@]1(Cl)C[C@H]2CC[C@H]1C2=C(c1ccccc1)c1ccccc1 1615946409 GFNFFLFIDZITAV-LQWHRVPQSA-N 319.835 5.420 30 10 DKEE N#Cc1ccc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c1 1848373065 ZXJWXGOXGMLBBD-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCCC23CCC3)cc1Br 1921658144 SPTYVOAFLLFSPW-KRWDZBQOSA-N 318.258 5.164 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1sc(C)cc1Br 2000376917 RDJYVKNDPKDRPC-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(Cl)cc1Br 2009491153 CBZXJHBPEKQZRZ-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCOc1cc(Br)c(C)cc1N 2040759830 SBKHJERNJXKFLP-UHFFFAOYSA-N 314.267 5.079 30 10 DKEE C=C(C)CC(=O)c1ccc(-c2ccccc2Br)s1 2045673642 KYKBDQSOHFPWPF-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE C=C[C@H](NCC)c1ccc(-c2ccc(Br)cc2)s1 2045710076 OOOYZAKFDYIIMQ-ZDUSSCGKSA-N 322.271 5.014 30 10 DKEE N#C[C@]1(Cc2cc(Cl)cc(Br)c2)CCCC12CC2 2053386932 QNISDQGVJYIJJB-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE C[C@@H](CC1=CCCCC1)Nc1cc(Br)cc(C#N)c1 2105123609 GJHLUGJYGOQSMU-LBPRGKRZSA-N 319.246 5.012 30 10 DKEE C=CC1(CNCc2c(Cl)ccc(Cl)c2Cl)CCCC1 2132975756 ONGHLLOGBJCGQW-UHFFFAOYSA-N 318.675 5.483 30 10 DKEE CCCCCCCOC[C@H](NCCC)c1ccc(Cl)s1 2145509317 RXCIPENQNDDLCJ-AWEZNQCLSA-N 317.926 5.429 30 10 DKEE C=C(C)CC[C@@H](COc1ccc(Cl)cc1Cl)NCCC 2152445525 KVYYPYPDKPKPPU-AWEZNQCLSA-N 316.272 5.097 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccsc1C(F)(F)F 2157652467 KNLVWPIZGXKIJK-GFCCVEGCSA-N 307.425 5.606 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 2173290827 RSOUIPAUICLGRK-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C[C@](F)(CNc1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)F 2191847745 XOYFPHDMKPMFGX-VIFPVBQESA-N 323.639 5.061 30 10 DKEE C=C(Br)COCCCCCCCCCCCC 2216922324 JYGNUOWDBWQGGP-UHFFFAOYSA-N 305.300 5.833 30 10 DKEE CCCCCCCC(=O)c1c(F)cc(F)cc1Br 2218584464 NTCSESOUTRZDNK-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE C=C(CNc1c(C)cc(F)cc1Br)c1ccccc1 2231538118 HGUTYCROGNRMFN-UHFFFAOYSA-N 320.205 5.022 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2266800438 QZFXHZVCXLEAFD-CQSZACIVSA-N 302.245 5.009 30 10 DKEE C=CCOc1ccc(C=Cc2cc(=S)c3ccccc3o2)cc1 2294778310 WFKGQJWLSOQARZ-UHFFFAOYSA-N 320.413 5.897 30 10 DKEE CCCCCCCC[C@H](O)[C@H](N)c1cc2sccc2s1 2295517199 KNESAWIVKMNOPJ-LRDDRELGSA-N 311.516 5.074 30 10 DKEE C[C@@]12CCCC[C@@H]1CCC(=Cc1ccc(C(F)(F)F)cc1)C2=O 2297510126 BFQYSIMJMLREMQ-CRAIPNDOSA-N 322.370 5.648 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1sc(C)c(C)c1Br 2304122370 KOTATALGPANAJE-KGLIPLIRSA-N 317.292 5.153 30 10 DKEE CC[C@](C=O)(CCCc1cc(Cl)cc(Cl)c1)C(C)C 2341151936 IODDALYOHQKBFI-MRXNPFEDSA-N 301.257 5.567 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cccc(Cl)c1Cl 2344338423 ZGDLQRABYBHGBE-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)Cc1ccc(Cl)c(Cl)c1C 2344347569 CLZYYEJCRIXJMX-GOEBONIOSA-N 300.273 5.164 30 10 DKEE C=CCC(CC=C)S[C@H](c1ccc(Cl)cc1)[C@@H](N)CC 2360334975 XKQWSAWQIPTUTG-DLBZAZTESA-N 309.906 5.372 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2364042781 OWMXBYXLWACLJV-CQSZACIVSA-N 303.755 5.127 30 10 DKEE C=CCC(CC=C)[C@H](O)c1cc(C(F)(F)F)ccc1Cl 2364086341 KZWNNVXCBXCVSG-AWEZNQCLSA-N 304.739 5.161 30 10 DKEE O=C(CCc1cc(Cl)cc(Cl)c1)C1=CCCCCCC1 2366860463 GIPBYSWUOLDQTB-UHFFFAOYSA-N 311.252 5.776 30 10 DKEE CCCC(CS)(CCC)COC[C@@H]1CC[C@H]1C(C)(C)C 2369116216 WNFQORZZQSAXND-JKSUJKDBSA-N 300.552 5.592 30 10 DKEE Cc1cc2nc(-c3cccc(Cl)c3)n(C[C@H](C)C#N)c2cc1C 57801983 JNAOIGTXPPTZRZ-GFCCVEGCSA-N 323.827 5.133 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(F)c(Br)c2)C1 87972794 BTXONSGPBMIKHR-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(OCCC(C)C)cc1 100048387 AIIMAPVHWSEYEG-LJQANCHMSA-N 319.533 6.123 30 10 DKEE CCCCCCCCn1c(-c2cccnc2)nc2ccccc21 101263294 CMNOINGGTWNZDZ-UHFFFAOYSA-N 307.441 5.459 30 10 DKEE CCCCCCCCCCCC[C@H](O)Cc1csc(C)n1 109714498 WBLYWZWEJOHJMG-SFHVURJKSA-N 311.535 5.666 30 10 DKEE Clc1cc(Cl)c(NCC#Cc2ccccc2)cc1Cl 110155359 WBMDBVWOPUNDMM-UHFFFAOYSA-N 310.611 5.110 30 10 DKEE CCCCCCCCCC[C@@H](O)CSc1ccc(C)cc1 116707908 NZINTDVTGXGIFL-GOSISDBHSA-N 308.531 5.979 30 10 DKEE CCCCCCCCCCNc1cc(F)c(Cl)cc1N 129221112 BIRTZKJUYARIPG-UHFFFAOYSA-N 300.849 5.614 30 10 DKEE COc1cc(C#N)ccc1N[C@H](C)c1ccc(Cl)cc1Cl 129884343 RECILOLEDXPHKF-SNVBAGLBSA-N 321.207 5.047 30 10 DKEE CCCCCCCC1=CCc2c1cc(OC)c(OC)c2OC 203369836 NLEMSQZZTSKEHL-UHFFFAOYSA-N 304.430 5.012 30 10 DKEE CCCCCC(C)(C)CNc1ccc(Br)cc1C#N 229175564 ZUBVEIIGBIRWMG-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(C)c(Br)c1 229758784 JXXNHPHFAQMFLS-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCc1c[nH]c2ccc(Br)cc12 232937161 FGSXTGKRLWLKPZ-UHFFFAOYSA-N 308.263 5.833 30 10 DKEE Cc1cc(C(C)(C)CC#N)cc(Cl)c1OCc1ccccc1 260675710 RNSLPMCTHSDRQU-UHFFFAOYSA-N 313.828 5.419 30 10 DKEE CCc1csc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)n1 382970394 RDNAMAJJHHYLRC-YRGRVCCFSA-N 308.516 5.152 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(Cl)cc1Cl 692240636 QAVBCKJBGQCJPA-XNJGSVPQSA-N 312.284 5.779 30 10 DKEE C=C1CCC(CN[C@H](CC)c2ccc(Br)cc2)CC1 724446435 IJPATUJRJVYKBT-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE CCCCCCCCCCCCN(C)C[C@@H]1C[C@H]2CC[C@H]1C2 1613879123 IQQDQGSRJVFSCU-ACRUOGEOSA-N 307.566 6.275 30 10 DKEE N#Cc1ccccc1CSc1nc(-c2cccs2)cs1 1860807508 PPYMKNSEVSFIJR-UHFFFAOYSA-N 314.460 5.036 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)C2CCCC2)C1 1946859069 PWGFYENAGHALTP-CBQOVEMMSA-N 324.512 5.540 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC(CC(C)(C)C)C1 1987813256 RHKQORFZSXYXNG-TZGCNFNXSA-N 322.493 5.131 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@H]1C[C@H]1C1CCCCCC1 1993110502 BDHKVXRPSXYIRB-YADHBBJMSA-N 311.513 5.671 30 10 DKEE C=C[C@@H](NCC)c1ccc(-c2ccccc2Br)s1 2045710427 RSBKQBHLSPWOEF-CYBMUJFWSA-N 322.271 5.014 30 10 DKEE N#C[C@@]1(Cc2cc(Br)ccc2Cl)CCC12CCC2 2047960152 WZUHJGYCWISCBA-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE Cc1cccc(C(=O)C2=CCC(C)(C)CC2)c1Br 2061173094 DWFITADGRHNFGF-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE CC(C)CC[C@H](C)[C@@H](C#N)c1ccc(F)cc1Br 2065479404 IBWNATJRPPCVHT-SMDDNHRTSA-N 312.226 5.268 30 10 DKEE C#Cc1cc(C2CCCCC2)n(-c2ccc(C(C)(C)C)cc2)n1 2069956829 AGMVJIWOOVEYLL-UHFFFAOYSA-N 306.453 5.199 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1c(Cl)cccc1Cl 2102112000 PTMUNRUQIOTEFC-LRDDRELGSA-N 300.273 5.636 30 10 DKEE N#Cc1cccc(-c2csc(-c3cc(Cl)cs3)n2)c1 2102392556 PDDVYLOFYMBKBB-UHFFFAOYSA-N 302.811 5.064 30 10 DKEE CCCCCCCC[C@H](NCC)c1snc(Cl)c1Cl 2110890513 BWMBISQERIFMPY-NSHDSACASA-N 323.333 5.851 30 10 DKEE CC(C)Sc1ccccc1Nc1cc(Cl)ccc1C#N 2158456913 HYNFTOMEKBWJCD-UHFFFAOYSA-N 302.830 5.456 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(C(F)F)cs1 2161270753 PJAZCBFIQPHSGM-CQSZACIVSA-N 303.462 6.087 30 10 DKEE SCC1(CSCCCOCC2CCC2)CCCCCC1 2184671016 LASQXOXISDAZRH-UHFFFAOYSA-N 316.576 5.197 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1OC 2203433855 SZZNYAZGELHFQL-CQSZACIVSA-N 319.272 5.786 30 10 DKEE CCCC#CC[C@@H](NCCC)c1ccsc1C(F)(F)F 2203789658 FAPDQSQWIJSDPQ-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1 2229571130 WTDBSOJFHAOMAU-INIZCTEOSA-N 300.273 5.694 30 10 DKEE C=C[C@H](CC)OC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2239489093 FUZHZOHVQASLPI-CVEARBPZSA-N 316.272 5.015 30 10 DKEE C=CCCCOc1c(Cl)cc(Cl)cc1CN[C@@H](C)CC 2240216571 USAXWBQSMXVPFT-LBPRGKRZSA-N 316.272 5.227 30 10 DKEE CCCCCCCC[C@](C)(O)c1cscc1C(F)(F)F 2240615303 BKRNPOOYSQYDIM-AWEZNQCLSA-N 308.409 5.725 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1ccc(Cl)cc1Cl 2240622587 VJHHUWFDLVMOQI-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE C=C(C)CCCCNc1cc(F)cc(Br)c1C 2250522056 DXAGJDDTZXBQAJ-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE CC(C)C(C)(CNc1cc(Br)cc(C#N)c1)C(C)C 2268520641 CNEAUGGVOQUXCM-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE Cc1cc(Cl)c(Cl)cc1N[C@@H](C)c1ccc(C#N)cc1 2281506399 UCTQROJJKJNALH-NSHDSACASA-N 305.208 5.347 30 10 DKEE CC(C)c1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)cc1 2296875868 IUWIJSGKYGCPTP-UHFFFAOYSA-N 307.437 5.742 30 10 DKEE CC(=NOCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 2330454297 HBVZBYNZWVHITM-UHFFFAOYSA-N 313.828 5.160 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc(C)ccc1Br 2338742958 ALCIDSDGWQMHED-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE C=C(F)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341123355 ZLUKZKZVSNJPCL-HNNXBMFYSA-N 304.236 5.168 30 10 DKEE C=C[C@@](C)(CCCc1cc(Cl)cc(Cl)c1)CNCC 2341200653 GYZMFYMFYNVPFB-INIZCTEOSA-N 300.273 5.118 30 10 DKEE N#CC1(Cc2cc(F)c(Cl)cc2Cl)CCCCCC1 2349884742 ZWVGSHCRWBUSSE-UHFFFAOYSA-N 300.204 5.539 30 10 DKEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CNCC(C)C 2360384558 WHSGNXCGYZQTKW-LBPRGKRZSA-N 315.885 5.281 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1cccc(Cl)c1Cl 2364089671 OFRDANMSAAUGJM-KRWDZBQOSA-N 312.284 5.803 30 10 DKEE C=C1CC(NCc2ccc(Cl)c(Cl)c2C)(C(F)(F)F)C1 2368701760 FNIWUNOVAFIWIT-UHFFFAOYSA-N 324.173 5.043 30 10 DKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2 39842637 CVOZFIWYYHVRJA-PXNMLYILSA-N 319.187 5.226 30 10 DKEE c1ccc(/N=C2/S/C(=N/C3CCCC3)C3=C2CCCC3)cc1 103677637 IXUZGNMUJYCDGP-FRCMOREXSA-N 310.466 5.675 30 10 DKEE CCCCCCCn1c(C(CC)CC)nc2c(N)cccc21 104325450 NVZLBOHGJJQKMI-UHFFFAOYSA-N 301.478 5.493 30 10 DKEE CCCCCCCCCCCC(=O)N([C@@H](C)CC)[C@H](C)CC 105359009 JGTWVDDLRSNAST-KDURUIRLSA-N 311.554 6.333 30 10 DKEE CCCCCCCO[C@@H](CNCCC)c1ccccc1Cl 110067894 GKQNLDXYAJUITN-SFHVURJKSA-N 311.897 5.368 30 10 DKEE C[C@@H](Nc1c(Cl)cc(F)cc1Cl)c1cccc(C#N)c1 123093314 HJRCSAAMIDDOJW-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#Cc1ccc(Nc2c(Cl)cc(F)cc2Cl)c(Cl)c1 123440250 FOZSEUSLSAVOPU-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C[C@@H](O)c1ccc(C#N)cc1Sc1ccc(Cl)c(Cl)c1 131752758 VHYHQQWWYPNCEB-SECBINFHSA-N 324.232 5.070 30 10 DKEE CSc1cccc(Nc2cccc(C(F)(F)F)c2)c1C#N 136606621 YPYNTJJYBCPVGV-UHFFFAOYSA-N 308.328 5.043 30 10 DKEE CCCCCCCCNCc1cccc(F)c1Br 160913325 GCAUJQOGPCYHSZ-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE CCCCCCCCCCC(=O)c1cc(Cl)ccc1OC 165085104 XRLABDTXODJKIW-UHFFFAOYSA-N 310.865 6.062 30 10 DKEE N#C[C@H](Sc1cccc(Br)c1)C1CCCCCC1 167879956 JOKDJZZVBNRQSD-HNNXBMFYSA-N 324.287 5.404 30 10 DKEE CCCCCCCCC[C@H](O)c1cc2c(s1)CCCCC2 168190119 YLVSKUCJYQAKDE-KRWDZBQOSA-N 308.531 6.191 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)cc(C(F)(F)F)c2)cc1F 169159702 WUHNKYFKVFMPJV-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE C=CC[C@H]1CC=C[C@H](C)N1Cc1nc(-c2ccc(C)cc2)oc1C 208602017 MTFVZLPVIHLNQS-LPHOPBHVSA-N 322.452 5.054 30 10 DKEE Cc1cc(Br)cc(C(=O)C2=CCCCCCC2)c1 235830097 XBOCFTNWHVNEHS-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE C[C@@H](c1ccc(Br)cc1)C1(C=O)CCCCCCC1 316817805 FULUGYIIRLYOAK-AWEZNQCLSA-N 323.274 5.482 30 10 DKEE CC1(C)CC(=O)C=C(c2cccc(Cl)c2C(F)(F)F)C1 381033804 NJYYEXUWQYXJSN-UHFFFAOYSA-N 302.723 5.131 30 10 DKEE CCCCCCC[C@@H](C)NCCCCOCc1ccccc1 390565762 PIKKLPSNQCOHAP-LJQANCHMSA-N 305.506 5.322 30 10 DKEE Clc1ccc(Cl)c(N=C2NC3(CCCC3)CCS2)c1 687318931 REZQLWIHBZQGMA-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1cscc1Cl 710452835 QBRJVORMNIVHKX-MRXNPFEDSA-N 302.911 6.356 30 10 DKEE CCCCCCC[C@H](C)N[C@H]1CC[C@H]1OCc1ccccc1 1934899016 AEBNILVNRXAIEW-YSIASYRMSA-N 303.490 5.073 30 10 DKEE CCCCCCCCCN[C@H]1CC[C@H]1OCc1ccccc1 1934913073 XQSBHVXMXQQKKM-VQTJNVASSA-N 303.490 5.074 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)[C@@H](C)CC)C1 1935534088 MZLUOCKBDBMFQO-UYWIDEMCSA-N 312.501 5.396 30 10 DKEE CCCCCCCCCC[C@@]1(O)CC[C@@H]1OCc1ccccc1 1939557065 CXVJJCWZJYYTDT-LEWJYISDSA-N 318.501 5.628 30 10 DKEE C#CC(C)(C)C[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2048685071 VBPOVAGPPJGEFM-LLVKDONJSA-N 304.286 5.145 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(C)ccc1Br 2102111695 OFQZERIVDJCRHQ-PBHICJAKSA-N 324.306 5.401 30 10 DKEE CC[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccc(Cl)c(Cl)c1 2143834821 BJBKLHSHKSNPAZ-KCXAZCMYSA-N 311.256 5.116 30 10 DKEE CCCCCCCCOC[C@@H](NCC)c1ccc(Cl)s1 2145520360 WJLFYDBTMUSLRB-CQSZACIVSA-N 317.926 5.429 30 10 DKEE C=CCC[C@@H](C)Oc1c(Cl)cc(Cl)cc1C[C@H](N)CC 2158325638 YCCBWSWUPAWHPV-BXUZGUMPSA-N 316.272 5.007 30 10 DKEE C=CCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2173116775 ZFBQGVVJLWYUPR-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE C=C[C@@H](CCCCC)OCc1cscc1Br 2212473671 PADRNFCAXCNJAO-LBPRGKRZSA-N 303.265 5.162 30 10 DKEE CCCCCCC[C@@H](O)c1sc(Br)c(C)c1C 2213623482 CBGAPTLPAOADBF-GFCCVEGCSA-N 319.308 5.521 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(CCCC(F)(F)C(F)(F)F)C1 2240470537 WYGMWQZOQFZHDV-NWDGAFQWSA-N 300.311 5.140 30 10 DKEE O[C@@H](CC#CC1CCCC1)c1c(Cl)ccc(Cl)c1Cl 2274170228 DKPTTXWAXSSLNB-ZDUSSCGKSA-N 317.643 5.264 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2287413387 JAGJOYPHFQQNGU-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE CCCCCCC[C@@](C)(OCC(=O)O)c1cc(Cl)cs1 2291755083 PQPAQDUWIVYOPY-OAHLLOKOSA-N 318.866 5.078 30 10 DKEE CC(=O)C=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2294769503 OJYXKXMMERIOCT-UHFFFAOYSA-N 321.203 5.175 30 10 DKEE CCC(=NOCc1cccc2ccccc12)c1ccc(C)cc1 2330246213 QRELBOVSIPLXED-UHFFFAOYSA-N 303.405 5.479 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NC)c1cc(Cl)cc(Cl)c1F 2335187565 KCUDYBGJMKSZEM-NOZJJQNGSA-N 322.276 5.091 30 10 DKEE Cc1c(C[C@@]2(C#N)CCC(F)(F)C2)ccc(Cl)c1Cl 2338855308 ZKBSXRQEQXDXPY-ZDUSSCGKSA-N 304.167 5.174 30 10 DKEE CC(C)(C)[C@](C)(CS)CSCC1(C(F)(F)F)CCC1 2352098134 LXVUMQGHSRTNHT-GFCCVEGCSA-N 314.482 5.434 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cc(F)c(Cl)cc1Cl 2377278439 PLYOKGQRKBWHNO-MRXNPFEDSA-N 314.231 5.785 30 10 DKEE C=C(C)CN(CC)C(=O)c1ccc(-c2cccc(Cl)c2)s1 22343861 ZLGNTDBYTCHFJD-UHFFFAOYSA-N 319.857 5.107 30 10 DKEE CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 59105019 IHHPWMDLVSTVJW-LWJGVMBGSA-N 320.480 5.941 30 10 DKEE C=CC[C@@H](Sc1nc2cc(Cl)ccc2o1)c1ccccc1 72262809 NLDYJGSKDCTXEA-MRXNPFEDSA-N 315.825 5.891 30 10 DKEE CN(Cc1ccc(Cl)s1)CC1(CS)CCCCCC1 94580206 OTSYHGCDOAFRNE-UHFFFAOYSA-N 317.951 5.104 30 10 DKEE C[C@@H](c1ccccc1F)N(C)CCCCCCCCCS 97799264 XRQBUSPKLSHGGR-INIZCTEOSA-N 311.510 5.479 30 10 DKEE CCCCCCCO[C@@H](CNC1CC1)c1cccc(Cl)c1 110067857 KSWQPSRKVIFBQV-SFHVURJKSA-N 309.881 5.120 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)c1cc(Cl)ccc1C#N 110258504 KRTHYWJSZMXNMR-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 110323680 YWFGHMXJAUTPTK-DGCLKSJQSA-N 312.240 5.386 30 10 DKEE CC(C)(C)c1ccc(Sc2ccc(C#N)c(Cl)c2)cc1 110354169 DOWYZLQTZVQPKW-UHFFFAOYSA-N 301.842 5.660 30 10 DKEE CCCCCCCOc1ccc(CNC(C)(C)C)cc1Cl 111235995 GUIXGPALJSXYEY-UHFFFAOYSA-N 311.897 5.577 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1cc(C#N)ccc1N 124543948 CAPTVGBNAGNHEY-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE CCSc1cccc(O[C@@H]2C[C@@H](C)CC(C)(C)C2)c1C#N 136709165 OGVCVJKVUZFNMN-ZIAGYGMSSA-N 303.471 5.264 30 10 DKEE CCCCCCCCCCOC(=O)c1cc(N)cc(Cl)c1 166389364 BPEDYSCOGHWKBT-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1SCCS[C@@H]1CC 228161114 JNWQLGHACCUDKI-BBWFWOEESA-N 317.608 5.342 30 10 DKEE C=C(C)C[C@H](NCCC)c1cccc(Br)c1Cl 229740240 SHAYJURPGVWSQF-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE Cc1ccsc1C=Nc1ccc(N=Cc2sccc2C)cc1 254849992 WFGVOXRLPCPLOD-UHFFFAOYSA-N 324.474 5.928 30 10 DKEE C=CCC(C)(C)CO[C@H](C)C(=O)c1ccc(Cl)cc1Cl 381156567 USYBGISSJABKSW-LLVKDONJSA-N 315.240 5.184 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(Br)cc3F)C[C@@H](C1)C2 697303959 HFBJPSSICZMADX-ONXXMXGDSA-N 324.237 5.135 30 10 DKEE CCCCCCCCOC[C@H](N)c1ccc(Cl)c(Cl)c1 709511265 CLCWXTWKIONVHR-INIZCTEOSA-N 318.288 5.370 30 10 DKEE CC1(C)CCCCC[C@@]1(C#N)Nc1ccccc1Br 719204659 JCQWRJDQJDGFQQ-INIZCTEOSA-N 321.262 5.114 30 10 DKEE Fc1ccc(NN=Cc2cccc(Oc3ccccc3)c2)cc1 1084267848 PMZHPELXHAYOSY-UHFFFAOYSA-N 306.340 5.064 30 10 DKEE C/C(=N\OCC(=O)c1ccc(C)c(C)c1)c1ccc(C(C)C)cc1 1857936652 XRIPOXIVNXDXLG-OQKWZONESA-N 323.436 5.050 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CCN(Cc2ccccc2)C1 1988166410 KLMRPNHXPSSUOH-HXUWFJFHSA-N 315.501 5.218 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](CC)c1ccc(CC)cc1 2070169625 XOPUHXHQAHODQK-OAQYLSRUSA-N 306.453 5.084 30 10 DKEE CCCCCCC[C@H](NCC)[C@H](O)c1cc(C)c(Cl)s1 2165428884 FZFKLEGLPDFKOY-ZFWWWQNUSA-N 317.926 5.082 30 10 DKEE CCc1ccc(Nc2cc(Cl)c(F)cc2C#N)cc1Cl 2184423478 RNNITWCEKACVGL-UHFFFAOYSA-N 309.171 5.310 30 10 DKEE C#CC[C@H](C)C[C@H](NCCC)c1cc2sc(C)cc2s1 2196836777 MFYCWNDKOWLFJI-JSGCOSHPSA-N 305.512 5.361 30 10 DKEE C[C@@H](CC(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2203956784 MYWNDRAAGDGCGZ-HZMBPMFUSA-N 312.240 5.242 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccc(Cl)cc1Cl 2231940497 LVQRVACLOHCNLT-CYBMUJFWSA-N 302.289 6.544 30 10 DKEE CCCCCCCCCCN=c1[nH]c(C(F)(F)F)cs1 2234792660 QZLPPEKDHAIMGR-UHFFFAOYSA-N 308.413 5.136 30 10 DKEE C=CCCCCCCC[C@H](O)Cc1c(Cl)cccc1Cl 2235523472 GENQWXYLDMTKBC-AWEZNQCLSA-N 315.284 5.814 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235756834 MJIYEYSJVOBNFU-DGCLKSJQSA-N 312.240 5.386 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H](NC)c1cc(Cl)cs1 2290197638 NRRWICHXBNXHBU-GOEBONIOSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@H](OCCCN)c1cc(Cl)sc1C 2294386699 QRXAMFQPKRQYMN-HNNXBMFYSA-N 317.926 5.477 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1ccccc1C(F)(F)F 37938276 DCJBDQFNFOZOCO-CQSZACIVSA-N 310.706 5.036 30 10 DKEE C=CCSc1ccccc1N[C@H](c1cccs1)C1CC1 42331294 UUYIWAIJGXXPGX-KRWDZBQOSA-N 301.480 5.589 30 10 DKEE CC(C)=CCC/C=C(/C)CC[C@]1(C)C=CC2=C(CCCC2=O)O1 83259523 LMGHOOQOKDPHHC-VYBYYTRPSA-N 314.469 5.812 30 10 DKEE CCCCCCCCCC[C@@H](C)C(=O)C(OCC)OCC 101745404 DZPCGCURAIFCGZ-MRXNPFEDSA-N 300.483 5.122 30 10 DKEE CCCCCCCNC(=O)c1ccccc1Oc1ccccc1 104593299 HHFXPYVGCBZMIV-UHFFFAOYSA-N 311.425 5.179 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1ccccc1Cl 109739667 WIWAVCHNPXQMGK-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)c(Br)s1 127064096 AKTUHVMXTLLKCL-UHFFFAOYSA-N 323.683 5.707 30 10 DKEE CCCCCCCCCCCCOC(=O)CCc1ccccc1 143312859 ZOKHYZTWHSXALP-UHFFFAOYSA-N 318.501 6.083 30 10 DKEE Cc1ccc(Oc2ccc(Br)cc2Cl)c(C#N)c1 235911863 LRCQHMUWBOFDJC-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC(C)(C)c1ccc(N=Cc2ccc(Cl)c(Cl)c2)cc1 254820732 ZUNZCTWDXBWLEG-UHFFFAOYSA-N 306.236 6.042 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 305752621 WJBDLBAXMKMOCW-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE C=CCCCCC[C@H](N)c1ccccc1OCc1ccccc1 309757616 BYQRSNSVXGPCAT-FQEVSTJZSA-N 309.453 5.402 30 10 DKEE CC1([C@@H](C#N)Nc2ccccc2Br)CCCCCC1 394763905 YUPGMVDFSPPWBR-OAHLLOKOSA-N 321.262 5.114 30 10 DKEE CCCCCCC[S@](=O)Cc1ccc(Cl)cc1Cl 586377716 QLGUJSQCXMZFBY-SFHVURJKSA-N 307.286 5.213 30 10 DKEE CCC[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698918057 BXKYNDYZEQCVSA-NVXWUHKLSA-N 316.445 5.065 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1c(Cl)ccc(F)c1Cl 704042097 XOSUBLWOYNRUCR-LLVKDONJSA-N 318.263 5.776 30 10 DKEE CCc1ccccc1C#Cc1cc(Cl)ccc1Br 1614825382 XAKNSEYKDRQCPN-UHFFFAOYSA-N 319.629 5.065 30 10 DKEE N#Cc1cccc(Cl)c1-c1c(Cl)ccc(Cl)c1Cl 1848374695 HVIRSRCLBWJHDC-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1 1894990696 GOWOFUACHSZGFW-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE CC#CCCCCNc1cc(Cl)c(C)cc1Br 2019507314 BDRDLPZFDOWDKD-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1csc(Cl)c1 2098180894 YHTHXWGHGUGCOV-OAHLLOKOSA-N 302.867 5.145 30 10 DKEE C=CC[C@@](C)(N[C@H](C)c1ccc(Cl)c(Cl)c1)C(F)F 2125764618 XTFSPVGJGIEAFB-YMTOWFKASA-N 308.199 5.244 30 10 DKEE C=CC1CC(N[C@H](c2cccs2)c2ccc(Cl)s2)C1 2125825497 KZVOWARZLYDXFZ-QKFMDRJYSA-N 309.887 5.107 30 10 DKEE C=CCCCCCCCCNc1cccc(Br)c1C 2142453408 QULRKPDNYWRZMW-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](O)c1sccc1Cl 2147059449 JAXKMRHJCWRNQX-OAHLLOKOSA-N 316.894 5.535 30 10 DKEE N#C[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCC2(CCCC2)C1 2155222761 JZWLGRKOTUCUOH-KGLIPLIRSA-N 308.252 5.961 30 10 DKEE CC#CCCCCC(=O)c1c(Cl)cccc1C(F)(F)F 2196208786 COTFDGPLLXWMTL-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205863274 FHANAIFBRXRYAQ-UONOGXRCSA-N 303.496 5.484 30 10 DKEE CCCCCCCCCOCC1(CS)CCCCCC1 2239483108 LWZNWHUFOZYRDN-UHFFFAOYSA-N 300.552 6.024 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(N)c1ccc(Cl)c(Cl)c1 2284088698 IEPBMCJZXPGNKX-KRWDZBQOSA-N 310.268 5.163 30 10 DKEE N#C[C@H](CSCC1(C(F)(F)F)CCC1)C1CCCCC1 2290348238 PWRRKEKFPOBAGR-CYBMUJFWSA-N 305.409 5.172 30 10 DKEE CCCCCCCC[C@@](C)(OCCN)c1cscc1Cl 2293449138 PHBZKFITHNCSLL-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE C=CC1(C[C@@H](NCC)c2ccc(C(F)(F)F)s2)CCC1 2294995717 BLFKVVHMDQGOAR-LLVKDONJSA-N 303.393 5.164 30 10 DKEE CCC(=O)C=Cc1ccc(OCc2ccc(F)cc2Cl)cc1 2296515146 BLCPUWBGHYLKEW-UHFFFAOYSA-N 318.775 5.050 30 10 DKEE CC(=C[C@@H]1C(C)=CCCC1(C)C)C(=O)C=Cc1cccs1 2297564127 JBPFDMURTIPODJ-QGZVFWFLSA-N 300.467 5.659 30 10 DKEE O=C(C=Cc1ccco1)c1ccc(Sc2ccccc2)cc1 2297709163 CJZHCOYGPMWAEV-UHFFFAOYSA-N 306.386 5.327 30 10 DKEE C=CCC(CC=C)SCc1ccc(Br)cc1C#N 2313660265 JGYKPLYKSJGTBN-UHFFFAOYSA-N 322.271 5.075 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2344338758 CJLALIYHOGJKHG-HOTGVXAUSA-N 300.273 5.116 30 10 DKEE CCCCCCCN[C@H](C)c1ccc(Cl)c(C)c1Cl 2353057608 WCRHUVKGRBNBIX-CYBMUJFWSA-N 302.289 5.923 30 10 DKEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2ccc(Cl)c(C)c21 2362299427 RDRYZGDTRZCGBY-BXUZGUMPSA-N 306.862 5.204 30 10 DKEE C[C@@H](N[C@H]1CCCCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 54823842 UOHSKFPKPXURTI-HSMVNMDESA-N 311.256 5.116 30 10 DKEE CCCCCCC[C@H](C)Nc1cc2c(cc1Cl)OCCO2 59419442 QOMHFDZWFAIVPA-ZDUSSCGKSA-N 311.853 5.272 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2ccc(F)cc2Cl)CC1 87971954 VQTBOYRAUGIWMQ-UHFFFAOYSA-N 307.840 5.768 30 10 DKEE CCCc1c(-c2ccc(Cl)cc2Cl)sc(C#N)c1N 93074532 OXRDWWGVBCTJQU-UHFFFAOYSA-N 311.237 5.128 30 10 DKEE CCCCCCCCCCCCN[C@H](C)c1ccc(C)s1 110166332 KWXJBRBHHBHXGC-GOSISDBHSA-N 309.563 6.628 30 10 DKEE CCCc1ccccc1Nc1cc(Br)ccc1C#N 123178174 NVRVJCVADOXUHT-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(Br)o1 124978510 XCVPLJWRAWSMOZ-CYBMUJFWSA-N 316.283 5.443 30 10 DKEE CCCCCCCC(=O)Cc1cc(F)ccc1Br 164958969 RYESJOBNFLPUAA-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE CCCCCCCCCC[C@H](N)c1ccoc1Br 232963585 QLWYLJODLVGYPQ-AWEZNQCLSA-N 316.283 5.573 30 10 DKEE C(=Nc1cccc2c(N=Cc3ccco3)cccc12)c1ccco1 252462099 PRXNXMIGZLMOBX-UHFFFAOYSA-N 314.344 5.527 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1c(C)cccc1Br 386902615 ZCIHMXCVTOFAHU-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE Cc1nsc(Nc2cc(Cl)c(Cl)c(Cl)c2)c1C#N 404279033 QEMAJOCUTDNPAH-UHFFFAOYSA-N 318.616 5.027 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc2cscc2s1 703713383 NLGZMFWXDAIJBC-CQSZACIVSA-N 310.532 5.608 30 10 DKEE Clc1cccc(N=C2NC3(CCCCCCC3)CS2)c1 713223849 GCOJTDYWEIVZGC-UHFFFAOYSA-N 308.878 5.147 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(C)c(Br)c1C 719541133 WLUZCIHKCKCCPL-OAHLLOKOSA-N 312.295 5.426 30 10 DKEE CCCCCCCC[S@](=N)(=O)c1ccc(F)c(Cl)c1 1917911544 MHIQXVPBPDLGRF-IBGZPJMESA-N 305.846 5.245 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)C[C@H](CS)C(C)(C)C 1932038682 JJSBACGFGMKDQX-QGZVFWFLSA-N 307.547 5.127 30 10 DKEE CCCCCCCN(CCC(F)(F)F)Cc1ccccc1 1956953222 RVFDGUROXGRHTB-UHFFFAOYSA-N 301.396 5.411 30 10 DKEE C=CCC[C@@H](C)[C@H](O)c1cc(Cl)c(C)cc1Br 1996464251 QIKLPQKQFUJYOQ-OTYXRUKQSA-N 317.654 5.047 30 10 DKEE C=CCCCCCC[C@H](N)c1sc(C)cc1Br 2026005089 VBNGAGODVYNQJN-ZDUSSCGKSA-N 316.308 5.345 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1snc(Cl)c1Cl 2048317401 KIZHAYXIBGACAD-MWLCHTKSSA-N 307.290 5.093 30 10 DKEE O=C(C=Cc1c(F)cccc1Cl)c1cc2ccccc2o1 2053612192 ACKITEGWESQYFI-UHFFFAOYSA-N 300.716 5.121 30 10 DKEE CCCCC#CC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2083390911 HPJWSZUSLBMZPU-LBPRGKRZSA-N 305.632 5.264 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(C)c(Br)cc1C 2136382565 AJNJTBCUEYMPSJ-SJCJKPOMSA-N 324.306 5.319 30 10 DKEE CC[C@]1(C)CCSC(=Nc2cc(F)c(Cl)cc2Cl)N1 2138950976 PAJMTDXBNBLIMR-CYBMUJFWSA-N 321.248 5.015 30 10 DKEE C=C(C[C@@H](NCCC)c1ccc(-c2cccs2)s1)OC 2205865179 JQBBSZZUVKYEIZ-CYBMUJFWSA-N 307.484 5.068 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1sc(OC)nc1Cl 2207427523 NKULPMMKBLFXRV-GFCCVEGCSA-N 316.898 5.112 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1cc(Cl)ccc1Cl 2235523998 LNNSFONERMIHRS-KRWDZBQOSA-N 314.300 6.084 30 10 DKEE C=CCCC[C@@H](N)c1cc(Br)cc(C(C)(C)C)c1 2260291017 CZKYEDQVEMNCIP-OAHLLOKOSA-N 310.279 5.103 30 10 DKEE CCCc1ccccc1Nc1c(Br)cccc1C#N 2269687836 FNOGQABWPIFMRW-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE FC(F)(F)c1cccc(SCCCCCCCS)c1 2277500713 KBKRJNXUFXXCNA-UHFFFAOYSA-N 308.434 5.678 30 10 DKEE C=CCCCCCCCS[C@@H](CN)c1cccc(Cl)c1 2287097464 WEXKEJUIPMNNFK-KRWDZBQOSA-N 311.922 5.600 30 10 DKEE C=C(C)CCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2287474020 XOOBGVZTLUJMOS-INIZCTEOSA-N 314.300 5.651 30 10 DKEE CCCCCCC[C@@H](O)[C@H](NCCC)c1cc(Cl)cs1 2290368256 KKJSWLPPKFYFIW-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@H](OCCN)c1csc(Cl)c1 2293310472 PPTDUTBUKJJFLK-HNNXBMFYSA-N 317.926 5.559 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1cc(Cl)sc1C 2293325797 PNOHEOQDQCMKPP-OAHLLOKOSA-N 317.926 5.477 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1ccc(Cl)cc1 2322528233 QPUSBASSYXOOKK-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE CCCCCOc1ccc2c(c1C)OC(=Cc1ccccc1)C2=O 2324262514 AYIDZHPEXXQNJZ-UHFFFAOYSA-N 322.404 5.180 30 10 DKEE C=CC1(C[C@H](NC)c2c(Cl)cc(F)cc2Cl)CCC1 2340790068 PVRSXKAQJYGNKM-ZDUSSCGKSA-N 302.220 5.139 30 10 DKEE C=C[C@](N)(CCCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2341224317 HEAFCKIYRNGOBE-INIZCTEOSA-N 300.273 5.246 30 10 DKEE C=CCC(CC=C)N(C)Cc1cc(F)c(Cl)cc1Cl 2349807841 JLOWDGKFAHMCKN-UHFFFAOYSA-N 302.220 5.085 30 10 DKEE C=CCCCCC[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2353050584 IRRSBUSPSNNCLS-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE C=CCC(CC=C)Sc1sc(CN[C@H](C)CC)cc1C 2360374933 MLYLMSIEUMEGMH-CQSZACIVSA-N 309.544 5.558 30 10 DKEE CC(C)(C)C1=CC(=C/N=N/c2ccccc2)C=C(C(C)(C)C)C1=O 6563295 CFYJFPMTCPPAJI-GHVJWSGMSA-N 322.452 6.182 30 10 DKEE N#Cc1ccccc1OCCSc1cc(Cl)ccc1Cl 34651692 JYDUBHRYPQQJHO-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE CCC[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 36972745 WXYZDBINCMEWKJ-QGZVFWFLSA-N 319.235 5.818 30 10 DKEE N#Cc1ccc(-c2csc(-c3cc(Cl)ccc3F)n2)cc1 62938217 VJWUHBRUQFWEHB-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE CCCC(CS)(CCC)COc1ccc(Cl)c(C)c1 94582247 HFTXLXPLWKMAOW-UHFFFAOYSA-N 300.895 5.544 30 10 DKEE CCCCCCCCNCc1cccc(OC)c1O[C@@H](C)CC 100048726 RAYGCOVBGMCJEJ-KRWDZBQOSA-N 321.505 5.323 30 10 DKEE CCCCCCCC/C=C/CCCCCCCc1cc(C)no1 100299034 JSUQLQVHTFFJKU-ZHACJKMWSA-N 319.533 7.173 30 10 DKEE CCCCCCCC[C@H](CNCCC)c1ccccc1Cl 118863711 JMIQARREFAWKKB-QGZVFWFLSA-N 309.925 6.174 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H](OC)C(C)(C)C 123511153 QMHMHTRAKULLBE-ZWKOTPCHSA-N 300.527 5.719 30 10 DKEE CCCCCCCCNc1ccc(Cl)c(Br)c1 128217784 JBVHJRCWOPYBEY-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE CCC[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1 168241224 HBFWKRMXVMLFFF-MRXNPFEDSA-N 302.780 5.304 30 10 DKEE CCCC[C@@H](CCC)Nc1cc(Br)ccc1C#N 226032744 ATJKBWLKLJDYBZ-CQSZACIVSA-N 309.251 5.092 30 10 DKEE CCCCCCCC(=O)c1cc(F)c(F)cc1Br 385014325 XUPBYIOFABEELX-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE N#Cc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)ccc1Cl 514260999 UIKOZLTXSRKGGX-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCCCC(=O)c1cc2cscc2s1 694437713 IDZWNWKBYWCNQQ-UHFFFAOYSA-N 308.512 6.676 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC2(CCCCC2)C1 1915902408 NLLGFPXCNIYVIE-IBGZPJMESA-N 320.477 5.030 30 10 DKEE CC[C@@](C)(C#N)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921047700 DMJNBGODQUVLLD-HOTGVXAUSA-N 305.830 5.042 30 10 DKEE C=CCC[C@@H](C)Nc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1 1925146134 UHWIVUXKMSCKEU-HUUCEWRRSA-N 318.461 5.039 30 10 DKEE Cc1cc(C#N)ccc1N(Cc1ccccc1)CC1CCCCC1 1946760179 LOBMVEWCOUIRBG-UHFFFAOYSA-N 318.464 5.454 30 10 DKEE C=CCCCCCC(=O)c1c(Br)sc(C)c1C 1951093468 MFCWLPGQDWNQRF-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE C=CCCCC[C@H](N)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 1984514831 DUOBOBCWSGFUCN-INIZCTEOSA-N 318.461 5.088 30 10 DKEE CCCCCCCCC[C@H](O)c1cnccc1Br 2057544517 VMZIRUVRISAXLK-HNNXBMFYSA-N 314.267 5.018 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2cc(Cl)c(Cl)s2)CC1 2098752184 OTHRAFVJRAIXDU-NSHDSACASA-N 318.269 5.198 30 10 DKEE CC[C@@](C#N)(Nc1cccc(Br)c1)C1CCCCC1 2102274989 WBUFZCNYHJDGIN-INIZCTEOSA-N 321.262 5.114 30 10 DKEE C=CCCC[C@@H](C)n1c(S)nc2ccc(Cl)c(Cl)c21 2103437321 CAJZPYPWLJJBQM-SECBINFHSA-N 315.269 5.549 30 10 DKEE C=CCCC(C)(C)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2103488244 DYTGGPVTVJASPT-UHFFFAOYSA-N 303.189 5.058 30 10 DKEE CN[C@@H](CC#CC(C)(C)C)c1cc(-c2cccs2)cs1 2164068964 FOMWWDIBQNZLRZ-AWEZNQCLSA-N 303.496 5.177 30 10 DKEE C#CC(C)(C)CC(=O)c1ccc(-c2ccccc2Cl)s1 2167592062 FSZUNESNTZYVJR-UHFFFAOYSA-N 302.826 5.301 30 10 DKEE C=CCCCCCCCC[C@H](O)c1c(Cl)cccc1Cl 2207428899 CWGHFLVONJUPEJ-INIZCTEOSA-N 315.284 6.334 30 10 DKEE C=CCCCCCCCOc1ccc(Br)cc1C#N 2227276300 QNCFFADKWKPQGD-UHFFFAOYSA-N 322.246 5.226 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1cc(F)cc(Cl)c1 2238007204 PWFHKFKLKLFDHO-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=C[C@H](CCCCC)OCC(=O)c1ccc(Cl)c(Cl)c1 2239561213 HRGMQYZWBWITII-CYBMUJFWSA-N 315.240 5.328 30 10 DKEE C=C(C)CC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243544556 FDETYJOQDDPASM-INIZCTEOSA-N 318.461 5.007 30 10 DKEE CCCCCCCC[C@@H](NC)c1cocc1Br 2249421122 CIJPWQADZVEIJW-CQSZACIVSA-N 302.256 5.053 30 10 DKEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1cscc1Cl 2292731829 SGHJDDINLOHAIY-CQSZACIVSA-N 316.850 5.070 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1cc(Cl)ccc1Cl 2293885118 QLSNJCZZDDDULU-INIZCTEOSA-N 316.272 5.146 30 10 DKEE CCCCCCCCC[C@@H](C)NCCCCCCSC 2295670709 IMJQEUGSPFYOCX-GOSISDBHSA-N 301.584 6.029 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccc(Cl)c(Cl)c2)cc1C 2296876390 QKVHNZLXLPDTES-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE Cc1ccsc1C=C1CCC(=Cc2sccc2C)C1=O 2297334037 XKCBZCGKBJNAPF-UHFFFAOYSA-N 300.448 5.256 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cccc(Br)c1 2321134069 LJUZUYUPOMCIBP-HZPDHXFCSA-N 310.279 5.092 30 10 DKEE C=CCC(CC=C)[C@](C)(N)c1cc(F)c(Cl)cc1Cl 2338728717 YDNCKAFPJKJFHN-HNNXBMFYSA-N 302.220 5.075 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(OC)c(Cl)s1 2340335415 WZKVXTVQKNHFIO-GFCCVEGCSA-N 301.883 5.197 30 10 DKEE CCCCCCC[C@](C)(S[C@@H]1CCC[C@H](C)C1)C(=O)O 2353864435 YARNHUUFQVZFNS-UXLLHSPISA-N 300.508 5.502 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1c(Cl)ccc(F)c1Cl 2362220228 HFBKEROKAWLKHY-UHIISALHSA-N 316.247 5.528 30 10 DKEE C=C(CC)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366805776 KYLQVUBCDFWNBL-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE CC[C@H](Nc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1 37268807 SMJGPVBHNMLPJE-HNNXBMFYSA-N 323.198 5.567 30 10 DKEE CC(C)Oc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 83201714 QGOZVWPNENDZHV-MDZDMXLPSA-N 300.785 5.023 30 10 DKEE COc1ccc(/C=C/C(=O)c2c(C)ccc3ccccc23)cc1 83204357 ZLISDTHVXCTXEI-GXDHUFHOSA-N 302.373 5.053 30 10 DKEE CCCCCCCCCCC/C(=N/O)c1ccc(C)cc1O 100166627 DJRCMVCFUPOPKC-ZZEZOPTASA-N 305.462 5.800 30 10 DKEE CCCCCCCCCCCCOCn1cc[n+](C)c1CCC 103005519 JQFILIPYHWFJHK-UHFFFAOYSA-N 323.545 5.160 30 10 DKEE CCCCCCCCCn1c([C@@H](N)CC)nc2ccccc21 104066910 LQCGNJWHLDIUPO-INIZCTEOSA-N 301.478 5.197 30 10 DKEE CCCCCCCCCC[C@@H](O)c1csc2ccccc12 115652994 RQQWCTGOTGLANF-GOSISDBHSA-N 304.499 6.466 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc2cc(F)ccc2s1 135352269 LGSOLILIUJTQHA-MRXNPFEDSA-N 308.462 6.215 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Cl)s1)NCCC 160879177 NNGHMXRVQZQZKR-AWEZNQCLSA-N 301.927 5.673 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc2sccc2s1 162313587 JJISUTOUCNMQFN-HNNXBMFYSA-N 323.571 6.754 30 10 DKEE Cc1c(-c2ccc(F)cc2)cccc1-c1ccc(N)c(C#N)c1C 253480785 YVKKDRZLERGVMU-UHFFFAOYSA-N 316.379 5.230 30 10 DKEE CC[C@H](C)c1ccc(O)c(N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1 254742920 BPKLBAAQPKVDNQ-HLAVVRSISA-N 324.380 5.230 30 10 DKEE C#CCCC[C@H](NCCC)c1cccc(OCc2ccccc2)c1 305752457 LFMFDLIXNXFHCE-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)ccc1Br 715776798 XYVXILCDDNCCSO-CZUORRHYSA-N 310.279 5.010 30 10 DKEE CCCCCCCC[C@H](CCCOCc1ccccc1)NCC 719127485 CGHIXTXRPPJEGH-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE CC/C(=N\OCc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 821227165 OKSHLSBCCXWGJL-KNTRCKAVSA-N 324.207 5.030 30 10 DKEE CCCCCCCCCCNC(=O)CCc1ccc(C)c(C)c1 1861871051 IYGCKYLNGPLZHZ-UHFFFAOYSA-N 317.517 5.493 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl 1892439508 RMYHBKZGJLQLNV-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE C=C(CC)C[C@@H](O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925647001 VQIHIKWPVFLULM-MRXNPFEDSA-N 319.445 5.040 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@@H](C#N)c1ccccc1)C(C)(C)C 1946838682 CRFOPZYAZWGFAG-GHTZIAJQSA-N 320.480 5.231 30 10 DKEE C=C([C@@H](NCC)c1cc(C)sc1Br)C(C)(C)C 1951108147 OMDZJQBTBMBKME-GFCCVEGCSA-N 316.308 5.072 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C[C@H]1CCCO1 1990779642 UKHALUDOFKZZDH-OAQYLSRUSA-N 317.517 5.418 30 10 DKEE C=CCC[C@H](C)[C@@H](N)c1cc(Cl)c(C)cc1Br 1996474456 PINAENPXLDZYQI-LKFCYVNXSA-N 316.670 5.013 30 10 DKEE CCCCCCCCN(C)Cc1cc(Cl)sc1Cl 2075944980 OQUGUPNSHUMVKK-UHFFFAOYSA-N 308.318 5.847 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cccc(SC(F)(F)F)c1 2164162985 XVXYVJWGPDLHLK-RISCZKNCSA-N 303.393 5.161 30 10 DKEE C=C(C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C)C(C)(C)C 2211849138 BABNEPPPGLJPCT-UHFFFAOYSA-N 317.429 5.127 30 10 DKEE C=CCCCCCCC[C@@H](O)c1c(Cl)cncc1Cl 2227275947 ZNDSIGCZDFEUCV-CQSZACIVSA-N 302.245 5.339 30 10 DKEE CCCCCCCCCCCOC[C@H](CS)C(C)(C)C 2239504658 ZLKBCBZGJDBCAW-QGZVFWFLSA-N 302.568 6.126 30 10 DKEE C=C(C)CCCCCc1cccc(Br)c1Cl 2244634493 PAFRQZPWEYIXRE-UHFFFAOYSA-N 301.655 5.782 30 10 DKEE Cc1cccc(OCCCCCCCS)c1Br 2252990763 UVJQEUTZAKQPGQ-UHFFFAOYSA-N 317.292 5.017 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2265956895 OEOYBOHCMCDJHQ-QGZVFWFLSA-N 324.306 5.709 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1csc(Cl)c1OC 2268916288 ZQOGXMJFRXIJRG-AAEUAGOBSA-N 301.883 5.053 30 10 DKEE C#C[C@H](c1ccc(-c2cccs2)s1)N1CCCCCC1 2285984912 BURWZJOCYSNCBC-CQSZACIVSA-N 301.480 5.027 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1cccc(Cl)c1Cl 2289680536 GJAYEJCYNQNGNZ-INIZCTEOSA-N 310.268 5.228 30 10 DKEE CCCCCCCCC[C@H](OCCN)c1cc(Cl)cs1 2293879223 PABCFFNEYMGCKY-HNNXBMFYSA-N 317.926 5.559 30 10 DKEE CCCCCCCCC[C@@H](C)Nc1cccc(Cl)c1Cl 2295670732 ISNYQBMQJZUVBY-CQSZACIVSA-N 316.316 6.935 30 10 DKEE Cc1ccc(Cl)cc1-c1ccc(C=CC(=O)c2ccccc2)o1 2296515324 WHISANXTONVFRV-UHFFFAOYSA-N 322.791 5.805 30 10 DKEE CC(C)CCC[C@H](C)CCOCC1(CS)CC(C)(C)C1 2371133862 QTGNFTPRECIMFY-INIZCTEOSA-N 300.552 5.592 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377334890 NINVEQHDBHJLPO-BDJLRTHQSA-N 318.263 5.776 30 10 DKEE N#Cc1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)cc1Cl 37253398 OKBIQTOCLKQUBP-KRWDZBQOSA-N 317.219 5.428 30 10 DKEE Clc1ccc(N/C(=N/c2ccccc2)Nc2ccccc2)cc1 39385512 XCZDXUOXARSNIJ-UHFFFAOYSA-N 321.811 5.552 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1ccc(Cc2ccccc2)cc1 83193390 QLBGUURGAUDAKL-VAWYXSNFSA-N 318.441 5.543 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2ccc(Cl)cc2Cl)CC1 87971918 QMWAYJFSFCDSOO-UHFFFAOYSA-N 324.295 6.282 30 10 DKEE CCCCCCCCn1c([C@@H](C)O)nc2cc(C)c(C)cc21 102247509 MDFYEUDOGLCPGQ-MRXNPFEDSA-N 302.462 5.067 30 10 DKEE CCCCCCC#C[C@H](CCCCCCC)N1CCOCC1 102994056 GUMLVLSIDLOWGJ-FQEVSTJZSA-N 307.522 5.022 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(C)cc1Br 109750354 QEWPDQUIYGLHFF-CQSZACIVSA-N 312.295 5.918 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccccc1SC(F)(F)F 109780122 HZZPCUZOAHPPLI-CYBMUJFWSA-N 319.436 6.459 30 10 DKEE CCCCCCCCO[C@H](c1ccc(Cl)s1)[C@H](N)CC 109988948 DNSGJDLOKLSTMO-CJNGLKHVSA-N 317.926 5.557 30 10 DKEE CCCCCCCOCc1cc(CNC(C)(C)C)sc1C 123140568 VLLIJWXOUFQRDY-UHFFFAOYSA-N 311.535 5.432 30 10 DKEE CCCCCCCCCC(=O)Nc1snc2ccccc12 216014335 YUBUQCVBYJEIAT-UHFFFAOYSA-N 304.459 5.376 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 229759502 RXKQAGROTLGNPY-HNNXBMFYSA-N 303.343 5.242 30 10 DKEE CCCCCCCC(=O)Nc1cc(C)cc(Br)c1 232070793 HJCSFOSXPUWRGU-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE C=CCCCCCCNc1ncc(C(F)(F)F)cc1Cl 312370283 CMCQZTFBDFLBSL-UHFFFAOYSA-N 306.759 5.302 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)sc1Cl)C(F)(F)F 394118826 MJENPBRLBJHLDH-SECBINFHSA-N 318.191 5.214 30 10 DKEE C=CCCC[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1Cl 398183673 PDLCFQOUCGIIDL-LRDDRELGSA-N 300.273 5.779 30 10 DKEE CCC(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698470998 XDSDTMXSZQFTAD-INIZCTEOSA-N 316.445 5.065 30 10 DKEE CCc1c(CC#N)ccc2sc(SC(F)(F)F)cc12 725303855 YYQCZAQKCLFNSA-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE Cc1ccsc1C=Nc1ccccc1C(=O)Nc1ccccc1 1084297455 AYZVNSPNFTWMFJ-UHFFFAOYSA-N 320.417 5.059 30 10 DKEE CCCCCCCCCOc1cccnc1NC(=O)C(C)(C)C 1858750121 MQLJKVQUXDHOTL-UHFFFAOYSA-N 320.477 5.196 30 10 DKEE CCCCCCCC[C@H](O)Cc1cc(Cl)cc(Cl)c1 1893293822 SKWMJGFXTCTZLB-INIZCTEOSA-N 303.273 5.647 30 10 DKEE CCC(C)(C)C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911737595 VBLQCHJYFMWPQW-UHFFFAOYSA-N 317.429 5.052 30 10 DKEE CCCCCCCCCC(=O)c1ccnn1Cc1ccccc1 1994387403 KZJCDBIZHZVZBZ-UHFFFAOYSA-N 312.457 5.255 30 10 DKEE N#Cc1ccc(C=Cc2nc3cc(-c4ccccc4)ccc3o2)cc1 2040457127 KAOAGKZZFKVMAD-UHFFFAOYSA-N 322.367 5.537 30 10 DKEE N#C[C@@]1(Cc2cccc(Br)c2Cl)CCCC12CC2 2053381113 CTQSCFMMEKYLRK-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE C=CCCCCC[C@](C)(O)c1ccc(C)c(Br)c1 2075714780 RMAGYWWAGFEXLC-INIZCTEOSA-N 311.263 5.102 30 10 DKEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)OC(C)(C)C 2081101600 RARIAFKLLQJWPC-UHFFFAOYSA-N 324.380 5.006 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107948583 JJLHFXBRWWIRDU-BMIGLBTASA-N 320.691 5.900 30 10 DKEE C=CC1(C[C@@H](NCCC)c2ccc(Cl)cc2Cl)CCC1 2168028165 KEIIBXFLMLPKEE-MRXNPFEDSA-N 312.284 5.781 30 10 DKEE C=CCSc1ccccc1NC1C[C@@H]2CCC[C@H](C1)S2 2186412405 SNRKAMZHTMMPKZ-GOOCMWNKSA-N 305.512 5.193 30 10 DKEE CC#CCCC[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2194066462 USBVGMAIPRJLPM-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE CCCCCCCC[C@@H](O)C(=O)c1ccc(Cl)cc1Cl 2207444269 IAPMARZNHJXBQX-OAHLLOKOSA-N 317.256 5.288 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ncc(C(F)(F)F)s1 2235522242 RXOFGPJCCQHOBH-LLVKDONJSA-N 306.397 5.078 30 10 DKEE C=CCCCCCCCCCN1CC(SC(F)(F)F)C1 2237483154 AOKUWQKSKCKFIF-UHFFFAOYSA-N 309.441 5.230 30 10 DKEE CCCCCCCCCOCCCCCCCCCS 2239541853 GHYBQZYUKCKFED-UHFFFAOYSA-N 302.568 6.414 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Br)ccc1Cl 2250180773 FDCSPPGMOXPAPP-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE Cc1ccc(Cl)cc1Oc1c(Br)cccc1C#N 2257504195 MIZCNMPCLUCCHK-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C1CCC(C[C@@H](O)c2cc(Cl)c(OC)cc2Cl)CC1 2281533930 WVYLYVAXLMVBPK-OAHLLOKOSA-N 315.240 5.172 30 10 DKEE CCC(F)(F)CCSc1ccc(C(F)(F)F)cc1C#N 2283715825 CKPQJCBLNRMIKM-UHFFFAOYSA-N 309.303 5.105 30 10 DKEE FC1(F)C[C@@]1(CS)CSc1cc(Cl)cc(Cl)c1 2306950080 SWTRSTGJKYJPRT-SNVBAGLBSA-N 315.237 5.041 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2344347003 XWOZQHZKTMVTQA-AWEZNQCLSA-N 320.691 5.900 30 10 DKEE C=CC[C@@H](C)SCc1cc2ccc(OC)cc2nc1Cl 2360349112 DRTGYRPWYNUWSX-LLVKDONJSA-N 307.846 5.095 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)CCCCC(F)(F)C(F)(F)F 2370489721 FESCNFNYTFINHB-NEPJUHHUSA-N 301.343 5.064 30 10 DKEE CSc1ccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)cc1 14551787 YPCHZHSFIHKDNY-ABSDTBQOSA-N 318.445 5.107 30 10 DKEE CCCCCCCCCCCCOc1ccc(C(=O)O)cc1F 59025419 COBKFRHDJVDTTB-UHFFFAOYSA-N 324.436 5.824 30 10 DKEE CCCc1nc(CSc2ccc(C)cc2)sc1CS 82427722 CZFFKZUQCMUWRA-UHFFFAOYSA-N 309.525 5.126 30 10 DKEE CC(C)c1nc(-c2ccc(C(C)(C)C)cc2)sc1CS 82431219 XNNINMVYSRBDCF-UHFFFAOYSA-N 305.512 5.661 30 10 DKEE CC(C)c1ccc(C(=O)/C=C\Nc2ccc(F)cc2Cl)cc1 103029948 VWJJLZOCAPERJS-KTKRTIGZSA-N 317.791 5.411 30 10 DKEE CCCCCCCCCC(=O)c1ccccc1Br 103944563 GXVYAXMAHODDKK-UHFFFAOYSA-N 311.263 5.773 30 10 DKEE CCCCCCCCCn1ccc2cc(Br)ccc21 104063320 YBXYADPTMOAXGX-UHFFFAOYSA-N 322.290 6.154 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(C)c(Cl)cc1C 112343557 DQBRLRXLGDMKOG-IBGZPJMESA-N 309.925 6.358 30 10 DKEE CCCCCCCCCCCC[C@H](O)CSC(C)(C)C 115644952 CMNVDHKEDINDPY-KRWDZBQOSA-N 302.568 6.190 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(OC)c(OC)c1Cl 115653091 OSRHNMAVGLYUDW-AWEZNQCLSA-N 314.853 5.141 30 10 DKEE CCCCCCCCCCCC[C@H](N)CC1CCSCC1 143493538 YGIZEUWYWIUDIH-IBGZPJMESA-N 313.595 6.158 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cc2)C1 222236494 NNVSWCDLRHRXRQ-CPUCHLNUSA-N 321.917 6.177 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(F)ccc2F)C1 222979682 JCNYMJJWVNPISS-JMSVASOKSA-N 309.425 5.411 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc(C)c(Cl)s1 226678834 KZRGXFMGJATAPW-HNNXBMFYSA-N 315.954 6.501 30 10 DKEE CCCCCCC[C@H](N)c1cc(Br)c(Cl)s1 227730358 PXRWLFUSXYQHMM-JTQLQIEISA-N 324.715 5.524 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1SCCS[C@@H]1C 228087361 OMIDKVQJJDTTPL-OWCLPIDISA-N 304.565 5.115 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H]1SCCS[C@@H]1CC 228169682 NGJBSGUQUVNBCN-GVDBMIGSSA-N 317.608 5.342 30 10 DKEE Cc1ccc(NN=Cc2c3ccccc3cc3ccccc23)cc1 254289374 YITPNBOQCPRVHC-UHFFFAOYSA-N 310.400 5.747 30 10 DKEE C(=NN=Cc1cccc2ccccc12)c1cccc2ccccc12 254905831 QBEFRSDYCFCLQT-UHFFFAOYSA-N 308.384 5.446 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1cc(Cl)sc1Cl 311859898 QIZDOFAIMPSMGZ-GFCCVEGCSA-N 318.313 5.535 30 10 DKEE CCC[C@H](Nc1ccc(Br)cc1C#N)C1CCCC1 313411866 PPCZLLBTXORSNF-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(C(F)(F)F)s1 394821328 CWQZQCNCSWOSBM-LBPRGKRZSA-N 308.409 5.941 30 10 DKEE Cc1cc(C#N)ccc1Oc1cc(Cl)ccc1Br 708117071 AXLPTARNBIDPQH-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC(C)[C@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1901677498 OIWOPEIMRTYHIB-KXBFYZLASA-N 316.445 5.002 30 10 DKEE CCCCCCCCC=CCCCCCCCC(=O)OCC 1903867242 LVGKNOAMLMIIKO-UHFFFAOYSA-N 310.522 6.587 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1scc(Cl)c1Cl 2040534776 UZBPVCFTAMRTMM-GWCFXTLKSA-N 306.302 5.698 30 10 DKEE C=C(C)[C@H](NC)c1ccc(-c2ccc(Br)cc2)s1 2045756381 VXNJUJZTDLCABF-HNNXBMFYSA-N 322.271 5.014 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C#N)CCC12CCC2 2047957364 ZKIPKWHOYOIJAN-MLGOLLRUSA-N 304.231 5.027 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(C)c(Br)c(C)c1 2059110930 FVLOQXXXFULNIQ-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE Cc1ccccc1[C@@H](C1CC1)n1nc(C2CCCCC2)cc1C#N 2070098951 DHRACZSQJNSSBU-OAQYLSRUSA-N 319.452 5.110 30 10 DKEE CC#CCCC[C@H](NCCC)c1scc(Cl)c1Cl 2073672146 RRGGXAPOIMYFFG-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1cc(Cl)sc1Cl 2092187455 FKFBYDQRQMEKMI-DGCLKSJQSA-N 324.317 5.166 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107936019 FQDHFUHERYDNDK-CYBMUJFWSA-N 320.691 6.044 30 10 DKEE C=C(CC)C[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107936242 HTKAYAUHPDWLHF-ZDUSSCGKSA-N 320.691 6.044 30 10 DKEE CCCCCCCCNc1cc(OC)c(Cl)cc1Cl 2138480089 IVKXRRJUXGJJAA-UHFFFAOYSA-N 304.261 5.774 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Cl)ccc1Cl 2141910427 YSZXZNMPYIXPKY-INIZCTEOSA-N 300.273 5.781 30 10 DKEE CCCCCCCCCCCCNCc1cc(Cl)cs1 2150414092 DQTWNUUDGHXEQY-UHFFFAOYSA-N 315.954 6.412 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(-c2ccccc2F)s1 2164107298 KBFLWQIATYCAAH-AWEZNQCLSA-N 309.837 5.347 30 10 DKEE CC#CCCCC[C@@H](NCC)c1cc2sc(C)cc2s1 2196171643 LHIQVMCBMBSGMV-CQSZACIVSA-N 305.512 5.506 30 10 DKEE CCCC#CC[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2203778332 LAJFVOFFIFQUPC-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc2sccc2s1 2206902078 HAJNLQIZIFDYRQ-CQSZACIVSA-N 307.528 6.140 30 10 DKEE C=CCCCCCC[C@H](N)Cc1cc(Cl)ccc1Cl 2225673751 JSTFOMORRVLKCJ-HNNXBMFYSA-N 300.273 5.390 30 10 DKEE C=C(C)CC[C@@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2225907445 PHNWRFJOPBSJDK-SECBINFHSA-N 303.189 5.058 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Br)c(C)c1 2227284682 RPUUQDQYICPABT-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE CC(C)(C)C#C[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2233782557 OAVGQERYUWKGDU-AWEZNQCLSA-N 303.858 5.118 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1c(Cl)cccc1Cl 2240621989 OLRHTSSVYDFOAN-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE C=C(C)CCCC[C@@](O)(CC)c1ccc(Br)cc1 2259190133 JKDXQLZGKHMLTM-INIZCTEOSA-N 311.263 5.183 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(Br)c(C)c1 2344384037 KHLGCKLTLQLHEF-IAGOWNOFSA-N 324.306 5.401 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)c(F)cc1CNCC(C)C 2362428840 AEUVBZKTPCEXBQ-LBPRGKRZSA-N 315.885 5.281 30 10 DKEE C=C(CC)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366805775 KYLQVUBCDFWNBL-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE CCN(CC)c1ccc(/C=C2\CCC(=C3CCCC3)C2=O)cc1 3205191 PNBMMYGHIVXVDO-OBGWFSINSA-N 309.453 5.150 30 10 DKEE CSc1nc2ccc(/N=C/c3c[nH]c4ccccc34)cc2s1 5353783 VUZTZBPIWRQSOK-GIJQJNRQSA-N 323.446 5.250 30 10 DKEE N#Cc1c(F)cccc1N[C@@H](c1cccs1)C1CCCC1 37269008 BLUVYLRJQXTTFL-QGZVFWFLSA-N 300.402 5.102 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 37936174 ZGLZOHAFYAUBAV-CQSZACIVSA-N 311.599 5.324 30 10 DKEE N#Cc1ccc(CSCCOc2cccc3ccccc23)cc1 58239743 MLZLPZNCOQLXET-UHFFFAOYSA-N 319.429 5.024 30 10 DKEE CC(C)c1cccc(C(C)C)c1OC[C@@H](CS)C(C)(C)C 94585525 SYWXLHQHDISBCW-HNNXBMFYSA-N 308.531 5.904 30 10 DKEE Cc1ccc(Cl)c(OCCCCCCCCCS)c1 97799763 IBZCVIQSYBLDDD-UHFFFAOYSA-N 300.895 5.688 30 10 DKEE C=CCC1(CC=C)C(=O)S[C@@](C)(CCCCCCCC)C1=O 106121415 AGBIARLSXFYGHC-SFHVURJKSA-N 322.514 5.477 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1ccc(F)c(C(F)(F)F)c1 110254709 LZRDASHBMOLDIP-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#Cc1ccc(Cl)cc1Sc1ccc(Br)cc1 110354219 VQIMANLRTQRFRP-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(F)c(Cl)cc1Cl 114872328 WGMVTYJSAZAUPY-HNNXBMFYSA-N 307.236 5.701 30 10 DKEE N#Cc1ccc(Cl)cc1OCc1c(Cl)cccc1Cl 129006380 QDSOIBSIZVGWJP-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCC[C@H](N)c1cc2c(s1)CCSC2 157905144 BLAZHFCQUZZZQK-HNNXBMFYSA-N 311.560 5.678 30 10 DKEE CCCCCCCCNCc1cc(Cl)cc(Cl)c1O 160848654 RODZGJMNBNIMAZ-UHFFFAOYSA-N 304.261 5.149 30 10 DKEE CCCCCCCCCCC(=O)c1cc2sccc2s1 165079845 LHDSPNCJAPDTMA-UHFFFAOYSA-N 308.512 6.676 30 10 DKEE CCCCCCC[C@@]1(C)C[C@@H](NC)c2cc(Cl)ccc2O1 229189517 WFKSLBRHCBPZGH-AEFFLSMTSA-N 309.881 5.502 30 10 DKEE CCCCCCC[C@@H](C)Nc1cccc(Br)c1C 232225063 XIDFTKQZUZNWDP-CYBMUJFWSA-N 312.295 5.918 30 10 DKEE C[C@@H](Nc1cccc(F)c1C#N)c1cc(Cl)sc1Cl 235215287 LNZQVELAFLKULG-SSDOTTSWSA-N 315.200 5.239 30 10 DKEE CCc1c(/C(C)=C\B2OC(C)(C)C(C)(C)O2)oc2ccccc12 396619212 AUKKRCITSLYMQQ-SEYXRHQNSA-N 312.218 5.030 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC[C@H]1C(C)C 698830753 XJETVMGERBKELK-LPHOPBHVSA-N 322.493 5.132 30 10 DKEE C=CCCCOC[C@H](NCCC)c1cccc(Cl)c1Cl 708948646 NYFXPSKOAWJWQN-HNNXBMFYSA-N 316.272 5.017 30 10 DKEE CCCCCCC[C@H](C)NC1CC(OCc2ccccc2)C1 716251692 CWIBGVYREMDNKP-KKXNLOMOSA-N 303.490 5.073 30 10 DKEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1cc(Cl)sc1Cl 718629372 QSWCARMQCIDPTJ-SSDOTTSWSA-N 315.200 5.239 30 10 DKEE C=C1CCC(C[C@H](Cc2ccc(Cl)cc2Cl)NC)CC1 724589311 QIRMIMBRHJXUJH-MRXNPFEDSA-N 312.284 5.260 30 10 DKEE CCCCCCCCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 1871275713 GTEIEEANWYFBNT-MSOLQXFVSA-N 307.522 5.482 30 10 DKEE C=CCC(CC=C)SCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 1901641624 FOGKWPUZWPNIRZ-UHFFFAOYSA-N 322.323 5.208 30 10 DKEE CCCCCCCCC[C@@]1(O)C[C@H](C)N(Cc2ccccc2)C1 1919636603 QSDBRSDCOHWSRS-PZJWPPBQSA-N 317.517 5.153 30 10 DKEE CCCCCCCCCC[C@@](C)(O)c1ccc(Cl)s1 1919985659 DBIHLXHQLJTTSR-MRXNPFEDSA-N 302.911 6.140 30 10 DKEE CCCCCCCC[C@]1(N)CCCC[C@H]1OCc1ccccc1 1977492944 XQKBKRPSDVDRPO-RTWAWAEBSA-N 317.517 5.594 30 10 DKEE C=CCCCC[C@@H](NC)c1cccc(Cl)c1Br 2009487024 LEZYOOJQMWHBCN-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2ccc(Br)cc2)CC1 2061194696 IQWPVJCDIKJJEO-GFCCVEGCSA-N 307.231 5.014 30 10 DKEE C=CCCCCCCCCNc1cccc(Br)c1 2086279077 PFMJMYAUXQSANU-UHFFFAOYSA-N 310.279 5.778 30 10 DKEE C=C1CCC(CC(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 2107733062 PZHTVSBYWGGUPT-UHFFFAOYSA-N 317.643 5.966 30 10 DKEE CCCCCC1CC(Nc2ccc(C#N)cc2Br)C1 2123372324 IBJXVHLQMKNQPZ-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Cl)ccc1Cl 2227271986 LYVLCZQQYXRZCX-INIZCTEOSA-N 301.257 5.944 30 10 DKEE Cc1csc(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)c1C 2234256069 NVPXZWDSGBSXBF-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE C=C[C@@H](CCCCC)OC[C@@H](N)c1cc(Cl)ccc1Cl 2239510558 NVLDKDYGCJFBRY-XJKSGUPXSA-N 316.272 5.145 30 10 DKEE CCCCCCCC(=O)c1ncc(C(F)(F)F)cc1Cl 2239925704 IJFAEUHHZSBKPI-UHFFFAOYSA-N 307.743 5.297 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cocc1Br 2258115381 WSESBRYIBHMQIT-OAHLLOKOSA-N 314.267 5.219 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2ccc(Cl)nc2Cl)CC1 2286788913 NBHKKTGRIYQXIC-MRXNPFEDSA-N 314.256 5.107 30 10 DKEE COc1ccc(C(=O)C=Cc2ccc(-c3ccc(C)cc3)o2)cc1 2293038854 AQEZFETZMCNCII-UHFFFAOYSA-N 318.372 5.160 30 10 DKEE SCCCCCCCOc1ccc(Cl)c2cccnc12 2294694727 NROJEBHGQMEGQT-UHFFFAOYSA-N 309.862 5.147 30 10 DKEE C=CCC(CC=C)c1c(C)c(C)c(Br)c(C)c1C 2322454847 VEFVBCAYFNNQCM-UHFFFAOYSA-N 307.275 5.919 30 10 DKEE N#C[C@]1(Cc2cc(F)c(Cl)cc2Cl)CCC(F)(F)C1 2349795469 AKUWCZZBXXJQIQ-LBPRGKRZSA-N 308.130 5.004 30 10 DKEE C=CCC(CC=C)N[C@H](c1cccs1)c1ccc(Cl)s1 2360216530 HPAUUAZGYPQIFG-MRXNPFEDSA-N 323.914 5.663 30 10 DKEE C#CCCN(Cc1ccc(Cl)c(Cl)c1C)CC(C)(C)C 2364012840 DQSRZQFSAGYTGK-UHFFFAOYSA-N 312.284 5.173 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2370491690 QRXRLRXYMLBNFC-ABAIWWIYSA-N 316.272 5.255 30 10 DKEE Cc1ccc(C(=O)/C=C\Sc2cc(Cl)ccc2Cl)cc1 12339436 MEHLURUWFDXKKU-HJWRWDBZSA-N 323.244 5.791 30 10 DKEE N#CC[C@H](Sc1ccccc1Br)c1ccccc1 55022646 NZYCTVYBNLVHRD-AWEZNQCLSA-N 318.239 5.196 30 10 DKEE CC(C)(C)c1cc(CS)c2ccc(Cl)c(Cl)c2n1 82467817 IRAYZZHLXJAIFA-UHFFFAOYSA-N 300.254 5.269 30 10 DKEE N#CC1(Sc2cccc(Cl)c2)CC2(CCCCCC2)C1 90238282 NTJSUJRMKVYMCY-UHFFFAOYSA-N 305.874 5.829 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(F)c(Cl)cc1Cl 109706792 UJCOGXKJNNWAAQ-HNNXBMFYSA-N 306.252 5.667 30 10 DKEE CCCCCCCC[C@H](CSc1ccc(Cl)cc1)NC 116836219 KZCFGKGVTGUVKJ-MRXNPFEDSA-N 313.938 5.771 30 10 DKEE CCCCCCCCCC(=O)c1sccc1Br 128328543 ASQZTHCORYQNGP-UHFFFAOYSA-N 317.292 5.834 30 10 DKEE CCCCCCCC[C@@H](N)c1cscc1Br 132280526 FHMXFKHGJUXHOJ-CYBMUJFWSA-N 304.297 5.261 30 10 DKEE CCSc1cccc(Oc2ccccc2SC)c1C#N 136717786 NZGJNONHYKNQJL-UHFFFAOYSA-N 301.436 5.184 30 10 DKEE Cc1c(Cl)cccc1Nc1ccc(C(F)(F)F)c(C#N)c1 164381094 CFECSURRXHYQLD-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE C=CC[C@@H]1C/C(=C\c2ccccc2)CCN1C(=O)OC(C)(C)C 212517842 YCLFBBSNFWMYFT-HGLWPWQMSA-N 313.441 5.046 30 10 DKEE CCCCCCC[C@H](O)c1cc(C)c(Br)c(C)c1 228373427 YCZLETRTLLWWRG-HNNXBMFYSA-N 313.279 5.460 30 10 DKEE CCCCCCC[C@H](NC)c1cccc(C)c1Br 232927991 FKVFTIHVVQBLTP-HNNXBMFYSA-N 312.295 5.379 30 10 DKEE C[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1csc(Cl)c1 235518258 WUFXFJRBPOPTNH-NSHDSACASA-N 304.846 5.376 30 10 DKEE C=CCCCCCC(=O)c1cc(C)c(Br)c(C)c1 235740746 IRHKERDIRKDTLD-UHFFFAOYSA-N 309.247 5.385 30 10 DKEE CCOc1ccc2ccccc2c1C=Nc1cccc(C)c1C 254352041 OBBOVLIVWUIEPV-UHFFFAOYSA-N 303.405 5.606 30 10 DKEE Cc1ccc(C)c(N=Cc2c3ccccc3cc3ccccc23)c1 254591169 KMDLKCCDSRVQRC-UHFFFAOYSA-N 309.412 6.360 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1 309813749 NMRNJFKZWVRMOK-OAQYLSRUSA-N 309.453 5.402 30 10 DKEE N#Cc1cc(-c2c(Cl)cc(Cl)cc2Cl)cnc1Cl 514260862 DVJMRHPXJBBTMI-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 695955821 DKKQEIXLBAIRSW-CQSZACIVSA-N 304.261 5.360 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C1CCCCCCC1 698381123 VWNXAWLGGXVPJR-WBVHZDCISA-N 322.493 5.275 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712609937 RCWJLIBGMHCNKF-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CC#CCCCCOc1ccc2cc(Br)ccc2c1 1885368086 OGMGFNOTZQAIAO-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)CC1CCCC1 1990780025 XNNVWZWAKSRCSQ-UHFFFAOYSA-N 315.545 6.429 30 10 DKEE CC(C)(C)c1ccc(C=CC(=O)c2ccc(Cl)s2)cc1 2040455292 TUXCRSVXTDSACW-UHFFFAOYSA-N 304.842 5.595 30 10 DKEE C[C@@H](c1cccc(C2CC2)c1)n1nc(C2CCCCC2)cc1C#N 2070113664 ZPTMBAZYJATDJK-HNNXBMFYSA-N 319.452 5.289 30 10 DKEE Cc1cc(Br)ccc1C(=O)C1=CC[C@H](C(C)C)CC1 2125202326 AUGUHKVFXYEILQ-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE C=CC1(C[C@H](N)c2cccc(SC(F)(F)F)c2)CCC1 2168021945 CGTRBWREEBZINP-ZDUSSCGKSA-N 301.377 5.045 30 10 DKEE CCCCCCCCCCCCN=[S@](=O)(CC)C(C)C 2195924927 YFMGUOLYVNBBSM-FQEVSTJZSA-N 303.556 5.804 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](N)c1cccc(Cl)c1Cl 2207449769 PMYXHUPDLSJGIZ-ZBFHGGJFSA-N 318.288 5.105 30 10 DKEE CC[C@@](C)(CCCC(C)C)Oc1nc(Cl)c(C#N)s1 2226051413 DZIAQCXLGHBYCW-AWEZNQCLSA-N 300.855 5.042 30 10 DKEE CCN[C@H](C#CC(C)(C)C)c1cc(-c2cccs2)cs1 2233792912 WENZKVMXVSGNKL-CQSZACIVSA-N 303.496 5.177 30 10 DKEE C[C@H]1CC=C(C(=O)c2sc(Cl)cc2Br)CC1 2244971314 KGCLDNYPKSAREI-ZETCQYMHSA-N 319.651 5.093 30 10 DKEE COCCCCCCSCC1(CS)CCCCCC1 2271885895 MZECCDBNXVPYRO-UHFFFAOYSA-N 304.565 5.197 30 10 DKEE C=CCCCCC[C@@H](OCCC(=O)O)c1csc(Cl)c1 2291455632 HNEYEOTZLLWFJK-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE C=C(CC)C[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2295260618 LIALPHDLPLKJGS-LBPRGKRZSA-N 305.409 5.472 30 10 DKEE C(#Cc1ccccc1)C=Cc1cc2ccccc2c2ccccc12 2297730510 OTNOXNMRUUSHDL-UHFFFAOYSA-N 304.392 6.058 30 10 DKEE C=CC[C@H](C)S[C@H](C)C(=O)c1ccc(Cl)cc1Cl 2313694352 DXGDHQAIZSMHFD-VHSXEESVSA-N 303.254 5.262 30 10 DKEE C=CCC(CC=C)N[C@H](C)c1c(Cl)ccc(F)c1Cl 2335114833 ZZHPTXOQNYXBQD-SNVBAGLBSA-N 302.220 5.304 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1C 2339056124 RMDARDHIHSXJBK-OAHLLOKOSA-N 303.273 6.086 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2cccs2)cc1C(C)C 83192654 MNWLSANWPSWCAE-CMDGGOBGSA-N 314.450 5.556 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2cc(C)ccc2OCC)c1 83205215 UCLMOZQPKPCDNW-ZHACJKMWSA-N 324.420 5.079 30 10 DKEE C=C(CC(Cl)(Cl)Cl)c1cc(Cl)cc(Cl)c1 90484324 DVRCZTBVGVKPFB-UHFFFAOYSA-N 304.431 5.767 30 10 DKEE CCCCCCCNCc1ccc(-c2ccccc2Cl)o1 102556371 BNFMVMIZTIJHEI-UHFFFAOYSA-N 305.849 5.660 30 10 DKEE CCCCCCCn1c([C@@H](N)CC(C)C)nc2ccccc21 104066597 WSWMFJVCYQGLIW-INIZCTEOSA-N 301.478 5.053 30 10 DKEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 109947611 PNMXYWYGLICEKI-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCC[C@H](NCCC)[C@H]1CSCCS1 124426383 LETXNAMHNTWSKB-DLBZAZTESA-N 317.608 5.344 30 10 DKEE CCCCCCCCCCNc1nc2ccc(N)cc2s1 129217560 IVZIKBXLVUCGDF-UHFFFAOYSA-N 305.491 5.431 30 10 DKEE CCCCCCCCCCNC1=NC2(CCCCC2)CS1 129446976 MMBAJGYCVXBEMT-UHFFFAOYSA-N 310.551 5.522 30 10 DKEE CCSc1cccc(Nc2ccc(Cl)c(F)c2)c1C#N 136638882 NYYIIXGZYKVXPQ-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE O=C(C1=CCCCCCC1)c1cc(F)cc(Br)c1 236253835 GNBSBFJLIIYXMU-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE CC(=Nc1sc2c(c1C#N)CCCC2)c1cc(C)c(C)cc1C 252602734 FKFHNXLPCBKIIA-UHFFFAOYSA-N 322.477 5.565 30 10 DKEE Cc1ccc(C=Nc2ccc(NC(=O)c3ccccc3)cc2)s1 254526546 ARWPORXCADDVMV-UHFFFAOYSA-N 320.417 5.059 30 10 DKEE CC#CCC[C@H](NCCC)c1ccccc1OCc1ccccc1 310329586 BHHYQXQGGYWNDY-NRFANRHFSA-N 321.464 5.110 30 10 DKEE CC[C@H](C)[C@H](C)[C@@H](C#N)Sc1ccccc1Br 319871539 VXXVWRVDRWXAEC-COPLHBTASA-N 312.276 5.116 30 10 DKEE C[C@]1(C(O)=Nc2ccc3c(c2)oc2ccccc23)C[C@H]2CC[C@H]1O2 330060167 MFRAGUDIMFPZRC-YHBQJITHSA-N 321.376 5.132 30 10 DKEE C#CCCCCC[C@H](NCCC)c1ccc(Cl)cc1Cl 686696624 HTQMMDLBUSUVGS-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)C1(C)CCCCCC1 698836483 BNVYVFVVMSJWFE-MRXNPFEDSA-N 322.493 5.132 30 10 DKEE C=C1CCC(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 724451513 NLBKEZRBRATLPE-NSHDSACASA-N 316.247 5.530 30 10 DKEE C[C@H](/N=C\c1c2ccccc2cc2ccccc12)c1ccccc1 1084631612 IKKYRENVJRYEJZ-SVTVQYSDSA-N 309.412 6.173 30 10 DKEE CCN(CC)c1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1 1614826268 KNNBUTSEYBBGAM-UHFFFAOYSA-N 305.465 5.230 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(OCc2ccccc2)cc1 1984521166 FVVZILRISOMSTH-NRFANRHFSA-N 309.453 5.273 30 10 DKEE C=C([C@H](NCC)c1cc(Br)c(C)s1)C(C)(C)C 2000353030 OFQLOXCWZXTOIV-ZDUSSCGKSA-N 316.308 5.072 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCCC[C@@H]1C 2027194310 ILAPJWPPWDGPSB-LRDDRELGSA-N 306.247 5.020 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1c(C)cc(C)cc1C 2070168803 JIFGQTUABZESMW-QGZVFWFLSA-N 306.453 5.057 30 10 DKEE CCCCCC#CC[C@](C)(O)c1cc(Cl)sc1Cl 2083397591 QIFICEHSCYMYLS-AWEZNQCLSA-N 305.270 5.236 30 10 DKEE C=C([C@@H](NCCC)c1cccc(C)c1Br)C(C)(C)C 2096635463 YXUALGMLWFBCMP-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cc(Cl)sc2Cl)CCC1 2111710386 FHSAACOTKAVPRI-GFCCVEGCSA-N 318.313 5.842 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1ncc(Cl)s1 2142440089 FKEZXTGETMPRMH-CYBMUJFWSA-N 301.883 5.527 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc(Cl)sc1C 2154495447 VHFAUPYDZCRBGI-MRXNPFEDSA-N 315.954 6.501 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(C(F)(F)F)nc1Cl 2154632778 NXGAZWSHSWUGOU-LLVKDONJSA-N 308.775 5.114 30 10 DKEE CCCC[C@](C#N)(CC)[C@](C)(O)c1c(Cl)cccc1Cl 2164481128 BDQDAQGGPANAOZ-CVEARBPZSA-N 314.256 5.311 30 10 DKEE C=C([C@@H](NCCC)[C@H]1CCCCCC1(F)F)[Si](C)(C)C 2164908321 CIPYVGZYLXHTPF-HUUCEWRRSA-N 303.513 5.004 30 10 DKEE CCCCCCCCCOCc1ccc(Br)o1 2216953209 BIOYWMNXUKMOCJ-UHFFFAOYSA-N 303.240 5.309 30 10 DKEE Fc1ccc(NCCCC(F)(F)C(F)(F)F)c(F)c1Cl 2240402589 SYVFXBPPLGFIDQ-UHFFFAOYSA-N 323.639 5.008 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1cc(Cl)c(Cl)s1 2274067015 JABWTWHTHGXMCZ-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2295005289 ATXSFBAKUCKRIA-BXUZGUMPSA-N 305.409 5.410 30 10 DKEE O=C(C=CNc1ccccc1Oc1ccccc1)c1cccs1 2297368923 IDYKGUVVPJFABB-UHFFFAOYSA-N 321.401 5.349 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1F)c1ccc(F)c(C)c1 2330280505 OVCNPQHZYXWRIR-UHFFFAOYSA-N 323.770 5.258 30 10 DKEE C=CCC(CC=C)Sc1c(CNC(C)C)sc(C)c1C 2360376634 GJYXPEYLAIZAJJ-UHFFFAOYSA-N 309.544 5.476 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(F)c(Cl)cc1Cl 2362237318 FOMQZKALDUCRRM-UVWXRNBGSA-N 316.247 5.528 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](CC)c1ccc(Cl)c(Cl)c1 2362241014 SNXFBUZTWMBDDK-CSMYWGQOSA-N 312.284 5.779 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1c(Cl)cncc1Cl 2364092475 NRIYYKNLKWHSMF-MRXNPFEDSA-N 313.272 5.198 30 10 DKEE C#CCCCC[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366411309 HUGHKMCFUKHDQO-HNNXBMFYSA-N 316.247 5.367 30 10 DKEE C(=N\[C@H](c1ccccc1)c1cccc2ccccc12)\c1ccccc1 6133180 VSYWKRJCCHEEMI-GFDSCVEPSA-N 321.423 6.048 30 10 DKEE Cc1ccc(C(=O)/C=C\c2cc3cccc(C)c3nc2Cl)cc1 33932296 IJWLSRFNOJMLHT-KHPPLWFESA-N 321.807 5.401 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(NC(C)=O)c(Cl)c1 59431469 PSOSDJZIFYZBJI-ZDUSSCGKSA-N 310.869 5.459 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426751 PVCLUVJIHYRAPI-YRGRVCCFSA-N 308.878 5.182 30 10 DKEE Cc1cc(C)c(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C)c1 83194178 NGURXEDLFKMYIE-FNORWQNLSA-N 319.231 5.815 30 10 DKEE CCCCCCCOc1cccc(CN[C@H]2CCC[C@@H](C)C2)c1 100131305 ODCSDBDWAHZRAM-QUCCMNQESA-N 317.517 5.704 30 10 DKEE CCCCCCC[C@H](C)NCc1cccc(Br)c1 103972985 LKERTOWFTYPWSU-AWEZNQCLSA-N 312.295 5.288 30 10 DKEE CCCCCCCCCC[C@@H](Cc1ccc(Cl)cc1)NC 109722895 CLXBIPGXPOHEBE-IBGZPJMESA-N 309.925 6.001 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Br)cs1 112721539 ODEKKLVRSNQASY-ZDUSSCGKSA-N 318.324 5.522 30 10 DKEE CCCCCCCCCCn1c(N)nc2c(Cl)cccc21 125948109 WEWPIHNISKRVOE-UHFFFAOYSA-N 307.869 5.413 30 10 DKEE CC[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 127791276 AJIREGDLORYNAP-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cnc2ccsc2c1 163613963 SSECKVDWRRWBSY-QGZVFWFLSA-N 305.487 5.861 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2ccc(F)c(Cl)c2)CC1 164697388 GAYLIKMDXINULV-PTXATLKXSA-N 309.812 5.013 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Cl)c2cccnc12 166611638 VCJRRYQSYBOQDC-QGZVFWFLSA-N 305.849 5.672 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c(C)c1 213187680 JZLBVONTDHQZHU-YVMONPNESA-N 305.204 5.506 30 10 DKEE CCCCCCCCC[C@H](O)Cc1cccc(Cl)c1Cl 229003261 YFIHXQCFSYRWPJ-HNNXBMFYSA-N 317.300 6.038 30 10 DKEE CC(=O)/C(C)=C/c1ccc(-c2ccccc2Br)s1 231745540 UYWALMFHWREMBR-MDZDMXLPSA-N 321.239 5.170 30 10 DKEE CCCCCCCCCC(=NO)c1ccc(-c2ccccc2)cc1 254419963 PFTRMKHVXHNYPY-UHFFFAOYSA-N 323.480 6.673 30 10 DKEE N#C[C@H](CSc1cc(Cl)cc(Cl)c1)c1ccccc1 388047583 BFQXZUFJWFZWTI-GFCCVEGCSA-N 308.233 5.393 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@](C)(C#N)c1ccccc1 405661445 FUYZDDDOJRTBCN-SUMWQHHRSA-N 314.226 5.034 30 10 DKEE C=C(CC)CC(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 405858001 BSKFODBAMLVBLF-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 710783193 PIDYEXSHFKUOQF-INIZCTEOSA-N 316.445 5.209 30 10 DKEE C=CC[C@@H](C)C(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 715747432 HMSGUEASKXLTAH-LLVKDONJSA-N 323.820 5.082 30 10 DKEE Sc1ccccc1N=Cc1cccn1-c1ccc(Cl)cc1 1084340359 FXMJISGBLAGXST-UHFFFAOYSA-N 312.825 5.170 30 10 DKEE CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 1874719235 PTFKEJUUGKFQTF-ONNFQVAWSA-N 314.812 5.239 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc(Cl)sc2Cl)CCC1 2049038451 UFWIARQIVMAIDQ-LLVKDONJSA-N 304.286 5.452 30 10 DKEE CC(C)c1cccc([C@H](C)n2nc(-c3ccccc3)cc2C#N)c1 2070133386 ZXALZYPPWDIPQF-INIZCTEOSA-N 315.420 5.154 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1cc(Cl)c(Cl)s1 2099898115 HKSJQWCVLNUPLZ-ZDUSSCGKSA-N 322.301 5.077 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(SC(F)(F)F)cc1 2154636743 KAFQHBWRYWGKBH-AWEZNQCLSA-N 303.393 5.435 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Cl)cc(F)c1F 2158322697 DRVZICBEVUEDEI-MEDUHNTESA-N 301.808 5.261 30 10 DKEE CN(CCCCCCCCCS)C[C@H]1CCCC1(F)F 2166665374 JDBSUEGCSLTHDN-OAHLLOKOSA-N 307.494 5.014 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2cc3cscc3s2)C1 2168537475 ZXHCPVFBMCXYAC-HOCLYGCPSA-N 305.468 5.106 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cscc1Br 2211136830 WRMDLHLPEZEYKO-ZDUSSCGKSA-N 300.265 5.163 30 10 DKEE N#Cc1ccc(SCCCCCC2CC2)c(Br)c1 2220021659 CTDXZNHWUDKBHB-UHFFFAOYSA-N 324.287 5.383 30 10 DKEE CCCCCCC[C@@H](NN)c1cc(Cl)cc(Cl)c1Cl 2227338220 XWPJNEYBPWCELV-CYBMUJFWSA-N 323.695 5.512 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@@H](C)COCc1ccccc1 2246064326 UVCWSOZZIPKEQF-UXHICEINSA-N 319.533 5.711 30 10 DKEE C=CCCCCCC[C@H](NC)c1csc(Cl)c1OC 2268930613 WACGGJRCFCFWTK-ZDUSSCGKSA-N 301.883 5.197 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc(Cl)sc1Cl 2271784351 DPYIIZHBNCQEGR-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE CCC(F)(F)CCS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 2283701828 KUUALUAYZZSKPE-BFHYXJOUSA-N 303.462 5.510 30 10 DKEE C=CCCCCCCCS[C@H]1CCCC(F)(F)[C@@H]1NC 2287194354 TZQUMQLJCLAXLK-LSDHHAIUSA-N 305.478 5.022 30 10 DKEE O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 2293038852 ADLBVOVFSLFWKA-UHFFFAOYSA-N 314.793 5.558 30 10 DKEE C=C([C@@H](NCC)c1ccc(Cl)c(Cl)c1C)[Si](C)(C)C 2339147786 AGUGSTRNDOEIHK-OAHLLOKOSA-N 316.348 5.386 30 10 DKEE CC(C)(C#N)c1ccnc(Sc2ccc(Cl)cc2Cl)c1 2363639825 UHDUAKGEMICQIQ-UHFFFAOYSA-N 323.248 5.341 30 10 DKEE Cc1ccc(C#N)c(OCc2ccc(Cl)c(Cl)c2C)c1 2364963644 XSJYXDXYOQROSC-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C#Cc1ccccc1N[C@@H](C)c1cc(F)c(Cl)cc1Cl 2365451115 PXXWTMVJRGSODN-JTQLQIEISA-N 308.183 5.287 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(Cl)cc(F)cc1Cl 2366407212 PAEUXZRPEFCSQY-HNNXBMFYSA-N 318.263 6.049 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)CCCc1cc(Cl)cc(Cl)c1 2370493330 YNNUIXRGOIBVPK-SJORKVTESA-N 314.300 5.636 30 10 DKEE C#CC[C@H](C)C[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377370184 AZLDWGXEDHYKQR-ZBEGNZNMSA-N 316.247 5.223 30 10 DKEE C/C(=N\Nc1ccc(Cl)cc1C)c1cc2ccccc2s1 3909143 TZTYDOAQFHLIQB-XDHOZWIPSA-N 314.841 5.699 30 10 DKEE C=C1CC[C@H]2[C@H](C1)c1c(O)cc(CCCCC)cc1OC2(C)C 29392851 AOYYFUGUUIRBML-IRXDYDNUSA-N 314.469 5.736 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F 37936109 GFNXWJMMPPLLJU-CQSZACIVSA-N 310.706 5.036 30 10 DKEE CCn1cc(/C=N/c2ccc(-c3ccccc3)cc2)c2ccccc21 40570772 YTDIYTGPOMSWLW-LFVJCYFKSA-N 324.427 6.079 30 10 DKEE CC(C)c1ccc([C@H](C#N)C(=O)c2ccc(Cl)s2)cc1 51172144 OEKPFZCWYHFFFE-ZDUSSCGKSA-N 303.814 5.015 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(OC)c(Cl)cc1OC 59089764 CPMFWDYICKBSGA-CYBMUJFWSA-N 313.869 5.518 30 10 DKEE Cc1cc(OCC2(CS)CCCCCC2)ccc1C(C)C 94582770 ONQVMWZSODCYGW-UHFFFAOYSA-N 306.515 5.768 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 109901205 GVUHZOVDZAYVGR-XYJFISCASA-N 303.515 5.837 30 10 DKEE CCCCCCCCO[C@H](c1ccc(Cl)cc1)[C@@H](N)CC 109988900 GKCOFRXIASJPTG-ZWKOTPCHSA-N 311.897 5.496 30 10 DKEE CCCCCCCCC[C@H](CSC(C)(C)C)NCCC 115809199 ZKANHBIKUJQVFU-QGZVFWFLSA-N 301.584 6.027 30 10 DKEE N#Cc1ccc(CNc2ccc(Cl)cc2Cl)c(Cl)c1 162576278 WWOOPTTXEJUNGQ-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCCCCCOC(=O)c1ccc(N)c(Cl)c1 168666692 QYNCLKHEISNTRR-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2Cl)C1 222247713 KERRRZFZGVVLSS-ZENOOKHLSA-N 307.890 5.787 30 10 DKEE CC(C)C[C@H](C)[C@H](C#N)Sc1cccc(Br)c1 310089902 DLGCUWMAXGEWOR-FZMZJTMJSA-N 312.276 5.116 30 10 DKEE C=CCCCCC[C@H](NC)c1ccccc1OCc1ccccc1 310330980 BQVIFYSAJBVXEH-NRFANRHFSA-N 323.480 5.663 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1sccc1Cl 313002610 VAPPFZLKHXRQBL-HNNXBMFYSA-N 315.954 6.192 30 10 DKEE C[C@H](Nc1cc(C#N)ccc1Cl)c1c(F)cccc1Cl 313568614 VMVRTNACAFUWEZ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE N#Cc1ccc(F)c(CSc2ccc(Cl)cc2Cl)c1 322535566 RFFSNDLHGCRPBU-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(Cl)cc1Cl 692240634 QAVBCKJBGQCJPA-OGHNNQOOSA-N 312.284 5.779 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC12CCCC2 698965485 PSPPRJCXHBJQRF-IBGZPJMESA-N 320.477 5.030 30 10 DKEE FC(F)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2s1 725324665 OUYODZPBACZKFT-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE Cc1cc(C)cc(-n2c(C)cc(C=Nc3ccc(F)cc3)c2C)c1 725408039 SGBNDYKEGJQSIH-UHFFFAOYSA-N 320.411 5.601 30 10 DKEE Cc1c(C=Nc2cccc(Cl)c2Cl)c2ccccc2n1C 1084003218 CIJFDHZCULVMRZ-UHFFFAOYSA-N 317.219 5.544 30 10 DKEE CCCOC(=O)c1ccc(N=Cc2cccc3ccccc23)cc1 1084121500 IMQKXYSLTXJJTI-UHFFFAOYSA-N 317.388 5.157 30 10 DKEE CCCCCCC[C@](C)(N)Cc1ccc(Cl)cc1Cl 1919526363 SHNMWCFFZKNDDU-INIZCTEOSA-N 302.289 5.614 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(Br)c(C)s1 2000366276 YJYGWAVEOOKKLO-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CCCc1ccc(-n2nc(C3CCCC3)c(C#N)c2Cl)cc1 2080379193 UGHUZFHERNAZOJ-UHFFFAOYSA-N 313.832 5.007 30 10 DKEE N#C[C@@H](c1ccc(Br)cc1)[C@H]1CCC2(CCCC2)C1 2098997256 DKBGHAUDJOJOCG-HOCLYGCPSA-N 318.258 5.417 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2099889434 BUUXPBJZSOVERH-LBPRGKRZSA-N 318.313 5.535 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(SC(F)(F)F)cc1 2107992444 DZLKQNPLNQJBQV-GFCCVEGCSA-N 309.784 5.092 30 10 DKEE C=CCCCCCC[C@](C)(O)c1ccc(Cl)cc1Cl 2141915735 DQXQKKBVIIQSRR-INIZCTEOSA-N 301.257 5.728 30 10 DKEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1F 2151940047 JQVSUJMCMMMZBK-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@H](O)C(=O)c1c(Cl)cccc1Cl 2207444768 MGDDEGDNNKZEJT-AWEZNQCLSA-N 317.256 5.288 30 10 DKEE CCCC#C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2233793450 YDEHFQVYTKNKOQ-CQSZACIVSA-N 303.496 5.321 30 10 DKEE CCCCC#CCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 2236300043 BSCRJCPHGDIWHZ-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCCCCCOC(=O)c1cc(Cl)ccc1F 2239552958 RJUJIGQDVHPKCD-UHFFFAOYSA-N 300.801 5.387 30 10 DKEE C=CCCCCCCCSC[C@H](N)c1ccc(Cl)cc1 2287192858 NFELWPFYNOWMJE-KRWDZBQOSA-N 311.922 5.600 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1nccc(Cl)c1F 2295597400 VDLTWDAGDIUGLA-MRXNPFEDSA-N 300.849 5.189 30 10 DKEE CCCOc1cc(C)c(C(=O)C=Cc2ccc(C)cc2)c(C)c1C 2295967929 LXMNIKJCKMIYMR-UHFFFAOYSA-N 322.448 5.605 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1cccc(Cl)c1Cl)NC 2344349384 SHQZJUJLWHBBLG-HOCLYGCPSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCC[C@@H](CC1(C)OCCO1)NCCC 2353324040 LMIWGCIDHYSWMN-SFHVURJKSA-N 313.526 5.039 30 10 DKEE CCC1CCC(C#N)(Cc2ccc(Cl)c(Cl)c2C)CC1 2364000849 DBJHVQZNXGVLMP-UHFFFAOYSA-N 310.268 5.955 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1ccc(Cl)c(Cl)c1C 2364053869 PBFGYSXGYRTGKM-TZMCWYRMSA-N 314.300 5.425 30 10 DKEE OC1=NC(=N\c2ccc(Cl)cc2)/C(=C\c2cccs2)S1 2708704 MMOZVQATHJODPS-XYOKQWHBSA-N 320.826 5.133 30 10 DKEE Cc1ccc(C(=O)/C=C/c2ccc3oc4ccccc4c3c2)cc1 3898788 KTBZWILIGSSVJV-XYOKQWHBSA-N 312.368 5.791 30 10 DKEE Cc1ccc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c(C)c1 37154838 IJZDNPBMXPFVMT-JFIYKMOQSA-N 301.499 5.750 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2ccc(Cl)cc2Cl)CC1 91880768 FSPDWFPIYNASTN-YWCUFVOSSA-N 312.240 5.137 30 10 DKEE CCCCCCCOc1cccc(NCc2cccc(C)c2)c1 100038758 HHVBAYJGJMIADR-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Br)cs1 112721341 WVNJIVYONICUTC-CYBMUJFWSA-N 319.308 5.685 30 10 DKEE CCSc1cccc(Sc2cc(F)ccc2F)c1C#N 136992646 LOEWUAYBPOCAGX-UHFFFAOYSA-N 307.390 5.100 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Br)cc1Cl 158098932 RVHROBKQNWFVFP-CQSZACIVSA-N 318.686 5.463 30 10 DKEE CCCCCCC[C@@H](Cc1cccc(Cl)c1F)NCCC 212489772 BLMWCLFNMQGFIL-INIZCTEOSA-N 313.888 5.750 30 10 DKEE C(=Nc1ccc(Oc2ccccc2)cc1)c1c[nH]c2ccccc12 254851721 ORCSFABCKHZYFR-UHFFFAOYSA-N 312.372 5.711 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)sc1Cl 312580190 KEXRCHMFQZHYOZ-JTQLQIEISA-N 317.628 5.385 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)[C@@H](C)C2CC2)C1 386058928 GUCOYXBESAAFMW-KKXYHZGYSA-N 324.512 5.396 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H](C)OCc1ccccc1 404514846 RSSUQOSNNMCIRN-UYAOXDASSA-N 305.506 5.320 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@](C)(C#N)c1ccccc1 405661443 FUYZDDDOJRTBCN-GUYCJALGSA-N 314.226 5.034 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc3cscc3s2)C1 693993105 IJVZZFSDBVBTAO-XFBWCDHKSA-N 305.468 5.106 30 10 DKEE C=C1CCC(CN[C@@H](C)c2cc(Cl)cc(Cl)c2F)CC1 724453018 YXULBUYCHMVQKQ-NSHDSACASA-N 316.247 5.530 30 10 DKEE Cc1ccc(NN=Cc2ccc3cc4ccccc4cc3c2)cc1 1083900706 NDYLTHXCCYBKNI-UHFFFAOYSA-N 310.400 5.747 30 10 DKEE FC(F)(F)c1cccc(C#Cc2ccc(Cl)cc2Cl)c1 1614730728 JMJSMHULXOKFOZ-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCOc1cccc(NC(=O)C2CCCCC2)c1 1860093730 XCZLWHRBWXDTKE-UHFFFAOYSA-N 317.473 5.555 30 10 DKEE CC1(C)OB([C@@H]2C[C@H]2c2cc(Cl)c(Cl)s2)OC1(C)C 1882184432 KOYGOBQQKUZNCO-HTQZYQBOSA-N 319.062 5.005 30 10 DKEE CCCC[C@@](C)(C#N)Cc1sc(Cl)cc1Br 1903679451 PZQAXGWRNMHBMJ-GFCCVEGCSA-N 320.683 5.427 30 10 DKEE CCCCCCC[C@]1(N)CCCC[C@H]1OCc1ccccc1 1959268501 WMEUYGJCXUYNDV-UXHICEINSA-N 303.490 5.204 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(C)c(Br)c1C 2045806400 PNDNGDRTORDYMB-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE C=C([C@H](NCCC)c1ncc(Cl)cc1Cl)C(C)(C)C 2096621437 NMUJWQZTWRHLDF-ZDUSSCGKSA-N 301.261 5.031 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cc(Cl)c(Cl)s2)C1 2112242336 GNGKLJUUDCKFSN-BXUZGUMPSA-N 318.269 5.198 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1cc2cscc2s1 2148578533 LRHTUFCDOBFQPD-XJKSGUPXSA-N 311.516 5.074 30 10 DKEE Cc1cc(Oc2cc(Cl)c(F)cc2C#N)c(C)cc1Cl 2193346992 QWOFBDXUHXZPLP-UHFFFAOYSA-N 310.155 5.413 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1cc(Cl)cc(C(F)(F)F)c1 2200838767 AFEXOCMWFMBPTR-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](NC)c1cc(Cl)sc1C 2207462525 VSDHXEIJJKPBRH-ZBFHGGJFSA-N 317.926 5.082 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(F)ccc(Cl)c1F 2235520317 YEJYCAIDVCRXPB-CQSZACIVSA-N 301.808 5.535 30 10 DKEE C=CC1(C[C@H](Cc2cccc(Cl)c2Cl)NCC)CCC1 2235754060 PFBDVHIGPCUHMY-AWEZNQCLSA-N 312.284 5.260 30 10 DKEE C[C@@](O)(c1cc(Cl)cc(Cl)c1)C1(C#N)CCCCCC1 2237913650 OOAMNUHDLBMLKN-OAHLLOKOSA-N 312.240 5.065 30 10 DKEE CCCc1ccc(C#CC(=O)c2cc(Cl)c(Cl)s2)cc1 2239669242 OBXJYFCFIYTCEC-UHFFFAOYSA-N 323.244 5.242 30 10 DKEE CCCC1CCC(C#N)(Cc2cc(Cl)nc(Cl)c2)CC1 2286800237 GIHLSTYSSKEMAA-UHFFFAOYSA-N 311.256 5.431 30 10 DKEE CCCCCCC[C@H](OCCC(=O)O)c1cc(Cl)cs1 2291933656 UZCLNANCNHUPHX-ZDUSSCGKSA-N 318.866 5.294 30 10 DKEE O=C(C=Cc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 2313512367 REBMTVJMBZNMGP-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE Cc1c(COC[C@H](CS)C(C)C)ccc(Cl)c1Cl 2317272401 DMTGVFMUADNKOQ-GFCCVEGCSA-N 307.286 5.020 30 10 DKEE CC1(C)CC(CS)(CSCc2ccccc2Cl)C1 2321755894 YASQVBXCWZUEDW-UHFFFAOYSA-N 300.920 5.309 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2ccc(C)cc2C)c1 2323144489 NLZBUTPZHJUICP-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE CCCCCC#CCC(=O)c1c(Cl)cc(F)cc1Cl 2340795361 FAPNNZCMEMTYHM-UHFFFAOYSA-N 301.188 5.289 30 10 DKEE C=CC[C@@H]1CCCCN1CCCc1cc(Cl)cc(Cl)c1 2366832283 BEBWYWLUWHMZHM-QGZVFWFLSA-N 312.284 5.357 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CC/C(=C/c1ccc(Cl)cc1)C3=O 6089103 PUTWMPQVIJJQLO-KAMYIIQDSA-N 321.807 5.342 30 10 DKEE Cc1ccc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)cc1C 37344164 LHYGLIGCTZBILO-CYBMUJFWSA-N 318.203 5.100 30 10 DKEE CC/C(=N/Nc1ccnc2cc(Cl)ccc12)c1ccccc1 59372442 YIUXTYIILQYTDV-PGMHBOJBSA-N 309.800 5.114 30 10 DKEE Cc1cc(C)c(C#N)c(Sc2cc(Cl)ccc2Cl)n1 70137009 NLFOMGFRROKPSI-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc(SC)cc2)c1 83192794 VCPWDUWQQSSCCN-KPKJPENVSA-N 312.434 5.093 30 10 DKEE CCSc1ccc(Cl)cc1C(=O)/C=C/c1sccc1C 83193130 CFVGYILEZKSYOG-FNORWQNLSA-N 322.882 5.718 30 10 DKEE CCOc1c(C)cc(C)cc1C(=O)/C=C/c1ccc(Cl)cc1 83193811 XVZVRAKQGCNLAB-JXMROGBWSA-N 314.812 5.252 30 10 DKEE CCc1ccsc1C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 94531380 VMCFSPUPNWYGAS-NSHDSACASA-N 324.232 5.107 30 10 DKEE CCC(CC)(CS)COc1c(C(C)C)cccc1C(C)C 94585534 LOXMPYFGGWWBFG-UHFFFAOYSA-N 308.531 6.048 30 10 DKEE CCCCCCCCSCc1ccc2ccccc2c1O 100001074 LEUADVNAJKALFU-UHFFFAOYSA-N 302.483 6.139 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(N(C)C)cc1 109346081 PCWVHMMPKULMEF-UHFFFAOYSA-N 318.505 5.612 30 10 DKEE CCCCCCCCCC(=O)[C@H](C#N)c1ccc(Cl)cc1 115858052 GCOBATKCUAFDJS-QGZVFWFLSA-N 305.849 5.657 30 10 DKEE Cc1ccc(C#N)c(Nc2ccc(Cl)cc2Br)c1 131727683 MYHQPSYDFDHCCT-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC1=Nc2ccccc2C1=NNc1ccc(-c2ccccc2)cc1 252620555 MGPXTTCYYBRDLR-UHFFFAOYSA-N 311.388 5.276 30 10 DKEE Cc1ccc(-c2csc(NN=C/C=C\c3ccccc3)n2)cc1 254466985 JTGMQEDQKBUKSW-ASKRJIILSA-N 319.433 5.230 30 10 DKEE CCCCCCC[C@@H](O)c1c(F)ccc(F)c1Br 403130780 AGXZBTVYBPRMBH-GFCCVEGCSA-N 321.205 5.121 30 10 DKEE CCCCCCC[C@H](C[C@H](C)COCc1ccccc1)NCC 719133313 BYYUBOSKGPPNCO-PZJWPPBQSA-N 319.533 5.568 30 10 DKEE FC(F)Oc1ccc2cc(C(F)(F)F)sc2c1C(F)F 725292572 CSWIXJFQURWJJA-UHFFFAOYSA-N 318.213 5.459 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1 1866090101 BIAIPORMFVMOJV-UHFFFAOYSA-N 324.468 5.362 30 10 DKEE CCCCCOc1ccc2c(c1C)O/C(=C\c1ccccc1)C2=O 1871399046 AYIDZHPEXXQNJZ-RGEXLXHISA-N 322.404 5.180 30 10 DKEE C[C@@H](N(Cc1ccccc1)CC1(C#N)CCCCC1)C(C)(C)C 1979312959 VMWDOGOYBOVTDJ-GOSISDBHSA-N 312.501 5.397 30 10 DKEE C=C(F)CC(=O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993582545 JAWXKNUXXPERCK-UHFFFAOYSA-N 321.392 5.213 30 10 DKEE C=C1CCC(CC(=O)c2sc(C)cc2Br)CC1 2000219188 RHGCAPJKAUBJQC-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=C([C@H](NCCC)c1ccc(Br)cc1)C(C)(C)C 2035436567 YVUWLWZUEMNVNJ-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE C=CCCCCCCOc1cc(Br)cc(F)c1F 2085848546 AUOVADLRXIWQKC-UHFFFAOYSA-N 319.189 5.243 30 10 DKEE CCCCCCCCC[C@H](NCC)c1scnc1Cl 2107985099 MENVCBBOWWKZJP-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCCC(C)(C)C1 2112230499 CQDYJYDEZUTZKX-QGZVFWFLSA-N 320.274 5.410 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc(Br)ccc2C)C1 2125729868 XLAUCTLMCAGOIH-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE C#CCCN(Cc1ccc(Cl)c(Cl)c1)C1CCCCC1 2145622823 XHDGCISWMNUYLQ-UHFFFAOYSA-N 310.268 5.151 30 10 DKEE C#Cc1ccc(N[C@@H](CC)c2ccc(Cl)c(Cl)c2)cc1 2177232891 YNZONKOKUYDUPR-KRWDZBQOSA-N 304.220 5.538 30 10 DKEE C=C1CC(C[C@H](Cc2ccc(Cl)cc2Cl)NCCC)C1 2182157499 GXMPHSMHIZPYPC-MRXNPFEDSA-N 312.284 5.260 30 10 DKEE CCCCCCCCCCC(O)(C(F)(F)F)C(F)(F)F 2183982569 OAZSATXGENSWQX-UHFFFAOYSA-N 308.306 5.373 30 10 DKEE C#CC[C@@H](CC(=O)c1cc(-c2cccs2)cs1)C1CC1 2196826536 KTSJIPRSUIFVEK-ZDUSSCGKSA-N 300.448 5.099 30 10 DKEE C=CCCCCCCCCNCc1csc(C(F)F)n1 2207429249 HFORREQWJYBCJC-UHFFFAOYSA-N 302.434 5.087 30 10 DKEE C=CCCCCCCCCNc1cc(Cl)cc(F)c1F 2207439091 AHFXUEWGIUCOEN-UHFFFAOYSA-N 301.808 5.947 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](C(C)(C)C)C1 2212097171 IVGBUISQUYVUNI-KXBFYZLASA-N 322.493 5.132 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(C)c(Br)o1 2220094362 VSFYQSQOBNCADA-CYBMUJFWSA-N 314.267 5.267 30 10 DKEE CCCCCCCC[C@](C)(N)c1csc(C(F)(F)F)c1 2240618853 YAYVIUAXCXZKPB-AWEZNQCLSA-N 307.425 5.691 30 10 DKEE C=CCCN(CCCCCCCCCCN)Cc1ccccc1 2243886380 UDJZGEWMUDLIJN-UHFFFAOYSA-N 316.533 5.144 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2270973855 PMNWYBXAXKVIGW-BDJLRTHQSA-N 300.273 5.555 30 10 DKEE C=CCCSC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2271589469 GSJZLOOGUKKBGD-AWEZNQCLSA-N 322.276 5.092 30 10 DKEE CCCCCCCC[C@H](OCCN)c1ccc(Cl)s1 2276918813 JXEBBGYPRLXANI-ZDUSSCGKSA-N 303.899 5.169 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Cl)c(OC)cc1Cl 2281539847 NQPZXORSTFHOCA-HNNXBMFYSA-N 316.272 5.528 30 10 DKEE C=CCCCCCCCSC[C@H](NCC)c1cncs1 2287188932 HUSLRCPYTWRKDB-HNNXBMFYSA-N 312.548 5.054 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(SC(F)(F)F)cc1 2287414297 ORULMNHISYAIPH-AWEZNQCLSA-N 303.393 5.435 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340801718 QNKFBQGITVVECJ-QMTHXVAHSA-N 302.220 5.139 30 10 DKEE C=C([C@@H](CCc1cc(Cl)cc(Cl)c1)NC)C(C)(C)C 2341109367 DHDXOYXCUFEQIJ-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE C=CCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2341114470 LTXAAAVEUSCIIY-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2344339047 FUXMDOQUIFQSCF-OAHLLOKOSA-N 300.273 5.555 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](CC)c1ccc(Cl)c(Cl)c1 2362241016 SNXFBUZTWMBDDK-JLZZUVOBSA-N 312.284 5.779 30 10 DKEE C=CCCCSc1cc(Cl)c(F)cc1CNCC(C)C 2362432554 UDZIKOOHQUMDBT-UHFFFAOYSA-N 315.885 5.283 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(Cl)cc(F)c1Cl 2370521840 LZWOGASJWUXHJB-CVEARBPZSA-N 318.263 5.776 30 10 DKEE N[C@@H](CC#CC1CCCCC1)c1cc(F)c(Cl)cc1Cl 2377282009 XVFKPEQQEXADRP-INIZCTEOSA-N 314.231 5.106 30 10 DKEE Cc1nc2c(cc(OCCCCCS)c3ccsc32)s1 94582490 CPGJQZVAHCDJIG-UHFFFAOYSA-N 323.508 5.298 30 10 DKEE CCCCCCCCCCCc1nc2ccccc2c(=O)o1 105540302 GIUGWKXFJSSGAC-UHFFFAOYSA-N 301.430 5.261 30 10 DKEE CCCCCCCCCCCCSc1cc(N)ccc1C 118300672 NMLBJLIOEPRTSB-UHFFFAOYSA-N 307.547 6.590 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccc(Cl)c(C)c1 159025018 WGYYKCFLGCAWOV-IBGZPJMESA-N 309.925 6.440 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1ccc(CC)s1 168818794 VYEIPJKYJRZUNM-QGZVFWFLSA-N 310.547 6.135 30 10 DKEE CCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)c(F)c1 205061866 VMARKEDZBOGWPB-UHFFFAOYSA-N 315.391 5.984 30 10 DKEE CCCCCCCc1noc(N)c1-c1cccc(Cl)c1F 212290682 DONDELRMLUHSSM-UHFFFAOYSA-N 310.800 5.229 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 218317545 ZYRQGFMFBKPQJV-XFBWCDHKSA-N 312.240 5.137 30 10 DKEE CCCCCCCCC[C@H](Cc1nc(C)c(C)s1)NCC 228896039 KWVBFNWUPSPFDV-QGZVFWFLSA-N 310.551 5.421 30 10 DKEE CC(C)c1ccc(Oc2ccc(Br)cc2C#N)cc1 229179179 RVPMWAFFMBTIIQ-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE Cc1cc(C#N)ccc1Nc1cc(Cl)c(Cl)c(Cl)c1 404252202 JZZLKWJVUJZZOK-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE Cc1noc(C)c1/C=C\C(=O)c1ccccc1SC(C)(C)C 606443466 XEMTZNKZMDLRFO-KHPPLWFESA-N 315.438 5.078 30 10 DKEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 698913605 DKFVAEJACMQDMF-GOSISDBHSA-N 320.408 5.040 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](CC(C)C)C1 698964142 KUQAGOQNZXFBQJ-APWZRJJASA-N 322.493 5.132 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1ccsc1C(F)(F)F 704319331 QTDUTESJWDOGTA-NSHDSACASA-N 316.735 5.097 30 10 DKEE CCCCCCCC[C@H](NCC)c1cscc1C(F)F 720270680 PVBRLVOTKLJFKO-HNNXBMFYSA-N 303.462 6.087 30 10 DKEE C=C1CCC(CN[C@H](CC)c2ccc(Cl)c(Cl)c2)CC1 724450883 CLAJBSCIBHBRTR-QGZVFWFLSA-N 312.284 5.781 30 10 DKEE CCCCCCCCCCCCCCCCn1cc(C#N)cn1 725400220 JHJBIDLROMCCGR-UHFFFAOYSA-N 317.521 6.236 30 10 DKEE Cc1ccccc1NN=Cc1ccc(N(C)c2ccccc2)cc1 1084330131 CBUQPSZFAASYAH-UHFFFAOYSA-N 315.420 5.209 30 10 DKEE CCCCCCCCCCN=c1[nH]c2ccc(CC)cc2s1 1859792881 ROGMLGAZNCNUST-UHFFFAOYSA-N 318.530 5.833 30 10 DKEE CCCCCCCCCCNC(=O)[C@H](C)Cc1ccc(F)cc1 1868187539 OJDMQPPDDIRFHJ-QGZVFWFLSA-N 321.480 5.261 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C[C@@H](C#N)C1CCC1 1915401634 WWIFRHKNKMNUNQ-QFBILLFUSA-N 324.493 5.251 30 10 DKEE CCCCCCCC[S@](=N)(=O)c1c(Cl)cccc1Cl 1917888464 YZTWFTAOKZIZLU-IBGZPJMESA-N 322.301 5.760 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)c1cccc(Cl)c1 1917905571 IZDQLTYQIAJKCP-HXUWFJFHSA-N 315.910 5.886 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCCCCC)NCCC 1922054756 MGKQEOFDOGVRFK-HXUWFJFHSA-N 303.490 5.098 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)CC1CCC1 1936276079 SVCMSKHEQSVPOY-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE C=CCCCCCCCCCN(CCC=C)Cc1ccccc1 1995321127 ZJAZDLVIXNYHSW-UHFFFAOYSA-N 313.529 6.372 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cccc(Br)c1Cl 2011354499 OHIXCWFIJMGNHQ-GFCCVEGCSA-N 320.633 5.017 30 10 DKEE CCCCCC#CCNc1cc(Br)ccc1Cl 2024350056 STJPMJYTOLJHLP-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE C=CC[C@H]1CCCC[C@@H]1NCc1cc(Cl)c(Cl)s1 2037455471 JBCKMPWDLLCIGH-GWCFXTLKSA-N 304.286 5.279 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(C)c(Br)c1 2040529562 LLXJTSASUFAKLR-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE C=CCCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045726240 YSQPBBMFGHVOGN-GFCCVEGCSA-N 306.664 5.654 30 10 DKEE CCCCCCCC(=O)c1c(F)cc(C)cc1Br 2053182402 KUESXBIJHGLODC-UHFFFAOYSA-N 315.226 5.440 30 10 DKEE Cc1ccsc1C=C1C(=O)c2ccccc2[C@@H]1c1ccccc1 2053542045 RBZTXSSTTRDXMK-FQEVSTJZSA-N 316.425 5.468 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(C)cc(Br)c1 2085852572 SORMFVXHFPNHRE-MRXNPFEDSA-N 311.263 5.318 30 10 DKEE C=C(CC)C[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2139130318 BXQTVESMNZYTGM-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1c(Cl)cccc1Cl 2149858046 OIJORRKIFITBQP-MRXNPFEDSA-N 310.268 5.228 30 10 DKEE CCCCCCCCCC(=O)c1cc2sc(C)cc2s1 2156529507 SVHYEFRAWNYYCD-UHFFFAOYSA-N 308.512 6.595 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1csc(-c2cccs2)n1 2164482339 PCYZPPGHSXYSSE-INIZCTEOSA-N 304.484 5.524 30 10 DKEE C=CC1(CN[C@H](C)c2cc(Cl)cc(Cl)c2F)CCCC1 2189505443 GLYZJMFMRTUKCN-LLVKDONJSA-N 316.247 5.530 30 10 DKEE C=CCCCCCCC[C@](C)(O)c1ccc(Br)o1 2220085402 NSTTUZONGGNYDK-HNNXBMFYSA-N 315.251 5.166 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Cl)cc(F)c1Cl 2231188361 GWABHMZXDYXRLW-CQSZACIVSA-N 304.236 5.530 30 10 DKEE Brc1ccc(C#CCC2CC(=C3CCC3)C2)cc1 2264122847 YVKPLYDKRBCQBG-UHFFFAOYSA-N 301.227 5.081 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc(Cl)sc1C 2278174917 ZLGBXHJAPYOMOO-INIZCTEOSA-N 302.911 6.058 30 10 DKEE CCCCCCCCCCCOCC1(CS)CC(C)C1 2280057617 FSCSMXAMNVAOSR-UHFFFAOYSA-N 300.552 5.880 30 10 DKEE CC(C)c1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2294300086 QNACANRYKGGFLB-UHFFFAOYSA-N 319.231 6.013 30 10 DKEE C=CCC(CC=C)S[C@H](c1cccc(Cl)c1)[C@H](N)CC 2360198926 QANGQFHPSFRXDW-IAGOWNOFSA-N 309.906 5.372 30 10 DKEE N#C[C@@]1(Cc2cc(F)c(Cl)cc2Cl)CCCCC12CC2 2377395309 UCJNBGPBMSZXCQ-INIZCTEOSA-N 312.215 5.539 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 37936173 ZGLZOHAFYAUBAV-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE CCCC1CCC(C#N)(Cc2ccc(Cl)cc2Cl)CC1 87959454 WVKHDKDMHCMNDI-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE CC(C)(C)[C@H](CS)CSc1cccc(C(F)(F)F)c1 94589318 YYNRIVHCDRIMAH-LLVKDONJSA-N 308.434 5.390 30 10 DKEE CCCCCCCCCCCCc1ccc(O)c(/C=N/O)c1 100048749 UWGTVLYQSJNUFP-CAPFRKAQSA-N 305.462 5.664 30 10 DKEE CCCCCCCCCC[C@H](C)C(=O)C(OCC)OCC 101745399 DZPCGCURAIFCGZ-INIZCTEOSA-N 300.483 5.122 30 10 DKEE CCCCCCCCCCCC(=O)N([C@@H](C)CC)[C@@H](C)CC 105359005 JGTWVDDLRSNAST-OALUTQOASA-N 311.554 6.333 30 10 DKEE CCCCCCCCCOc1ccc(C[C@H]2CCCNC2)cc1 106150209 DFVZMRIACAVNCM-HXUWFJFHSA-N 317.517 5.358 30 10 DKEE CCCCCCCCCCC[C@H](Cc1ccsc1)NCC 115858428 QKOJECBSBCQLBE-LJQANCHMSA-N 309.563 6.190 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@@H](CCC)OCC 122505312 VXCVLMFTUMHQBG-RTBURBONSA-N 300.527 5.864 30 10 DKEE CCCCCCCCCC(=O)c1cccc(Cl)c1Cl 164689655 PNVKEMOCNMIDMH-UHFFFAOYSA-N 301.257 6.317 30 10 DKEE CCCCCCCCCCCC(=O)N(CC)C1CCCCC1 224428828 VJZNGMUGKNTTLH-UHFFFAOYSA-N 309.538 6.089 30 10 DKEE CCCCCCCC[C@H](Cc1nc(C(C)(C)C)cs1)NC 228747290 BBHMSSQNEKOFFG-OAHLLOKOSA-N 310.551 5.322 30 10 DKEE CCCCCCCCCNc1c(F)cccc1Br 232125981 KCHZEMZOFALFRX-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE CCCCCCCCCCOCCCNCc1ccccc1 309797762 ODUUGLUPAHQVQT-UHFFFAOYSA-N 305.506 5.324 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc([C@@H](C)O)c1 390173451 OWNORXWMBGLRBL-QGZVFWFLSA-N 319.489 5.599 30 10 DKEE CCC(CC)C(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405912534 HJNMRASCSSTVSF-RAXLEYEMSA-N 317.429 5.052 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccccc1NC(=O)OC(C)(C)C 407508455 YPYJZRLSXRXDLN-INIZCTEOSA-N 318.461 5.041 30 10 DKEE C=CCCCCCC(=O)c1cc(C(F)(F)F)ccc1Cl 695141872 SUVLWETYJJUNHG-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE CCCCCCCCC[C@H](C#N)N(CCC)C(=O)OC(C)(C)C 698966435 SLHHCPJMUGDBAT-QGZVFWFLSA-N 324.509 5.666 30 10 DKEE CCc1cc(CC#N)cc2cc(SC(F)(F)F)sc12 725303258 BMJITEYBGTYRSI-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2ccn(C)c2c1 1874095494 MSHBBAQOXMLTSL-UHFFFAOYSA-N 314.473 5.049 30 10 DKEE CCCCCCCC[C@H](N)Cc1cc(Cl)cc(Cl)c1 1893166443 UYUUPHFOWPDAKM-INIZCTEOSA-N 302.289 5.614 30 10 DKEE C[Si](C)(C)C#CCNc1ccccc1SC1CCCC1 1917000570 RMNZFLQXUOQDNT-UHFFFAOYSA-N 303.547 5.014 30 10 DKEE C=CCCCCC(=O)c1ccc(Cl)c(Br)c1 1984511845 JTOABKQXOLLQNU-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(Br)ccc1C 2045992464 LCZFPVKVSWMQLT-MRXNPFEDSA-N 308.263 5.410 30 10 DKEE C=CCCCCCCCCC(=O)c1cc(Br)co1 2086234982 YACGFWSGHYEPLW-UHFFFAOYSA-N 313.235 5.532 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1cc(Cl)ccc1Cl 2148590551 VBMFPJXQZXNNID-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C=CCC[C@H](C)Oc1c(Cl)cc(Cl)cc1CNC(C)C 2158322596 DDOBHJQSCBABRX-LBPRGKRZSA-N 316.272 5.225 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1scnc1Cl 2164246478 HFLGLIMLURYSSM-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE C=CC1(C[C@@H](Cc2cc(Cl)cc(Cl)c2)NCC)CCC1 2203949908 DPACDEOGMYHXMV-MRXNPFEDSA-N 312.284 5.260 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1ccc(SC)s1 2207438645 QNWQWXQTCGKBJO-HNNXBMFYSA-N 311.560 6.167 30 10 DKEE C=CCCCCC[C@H](Cc1cc(Cl)ccc1Cl)NC 2225668178 KIRFZGAXHVFMRQ-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE C=C[C@@H](CCCCC)Oc1cc(C(F)(F)F)cc(Cl)n1 2239494798 IHDUBJWVICKDDQ-NSHDSACASA-N 307.743 5.268 30 10 DKEE CCCCCCCCC[C@@H](C)NCCCOCc1ccccc1 2246065005 ZJDJLOUTEUBARW-HXUWFJFHSA-N 319.533 5.712 30 10 DKEE C=CCCCC[C@@H](O)c1cc(F)c(Br)cc1Cl 2248034171 XKOSXSOHPBXZGI-CYBMUJFWSA-N 321.617 5.021 30 10 DKEE C=CCCCCCCCNCc1ccc(Br)c(C)c1 2273776522 ZSFYAUJAURWEHI-UHFFFAOYSA-N 324.306 5.374 30 10 DKEE C=CCC[C@@H](C)[C@@H](OCCCN)c1cccc(Cl)c1Cl 2293908832 DNZWFQNKIKZVEZ-MLGOLLRUSA-N 316.272 5.002 30 10 DKEE CCC(=NOCc1cccc2ccccc12)c1ccc(OC)cc1 2330265931 DNPYFSNOAGNPAH-UHFFFAOYSA-N 319.404 5.179 30 10 DKEE CC1CCC(C=O)(CCCc2cc(Cl)cc(Cl)c2)CC1 2366849042 UJHFPBWTWKJFFK-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2377333311 YEAFJDPFHQTPJG-MRXNPFEDSA-N 318.263 5.920 30 10 DKEE C[C@@H]1[C@@H]2C[C@@H](C/C2=C2C(=N/O)/[C@H]3C[C@@H]/2C(C)(C)[C@@H]3C)C1(C)C 13563566 CCDHTPVHZBYPLL-HGTFOOGWSA-N 301.474 5.127 30 10 DKEE CCCCCCCNCCNc1cccc(OCCC(C)C)c1 100052502 XKQYJRIFAYSEKX-UHFFFAOYSA-N 320.521 5.083 30 10 DKEE CCCCCCCOc1cccc(CNCc2cccs2)c1 100128164 FWOUGLFTUMRHQT-UHFFFAOYSA-N 317.498 5.387 30 10 DKEE CCCCCCCCC[C@@H](CSc1ccccc1C)NN 126962523 ITOGDYSLKRSZNM-KRWDZBQOSA-N 308.535 5.060 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cccc(F)c1Cl 162276317 VKGOIKZWGJWGCI-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE C/C=C(/CCCCCCC/C=C\CCCCCCCC)OC 216506990 INJCWUBWAUIVEG-PLMZOHIHSA-N 308.550 7.574 30 10 DKEE Clc1ccc(N=Cc2ccc(-c3cccs3)s2)cc1 254397195 DAISRESGEXRIHB-UHFFFAOYSA-N 303.839 5.881 30 10 DKEE Cc1ccc2c(c1)-c1nc3ccccc3cc1C2=Nc1ccccc1 254654377 YWWYADQPZIDKCW-UHFFFAOYSA-N 320.395 5.693 30 10 DKEE CC(C)c1ccc(O)c(N=Cc2c(O)ccc3ccccc23)c1 254671240 RRXYWLLDWZBMIE-UHFFFAOYSA-N 305.377 5.125 30 10 DKEE CCCCCCCCc1ccc(-c2ccc(C=NO)cc2)cc1 254825428 ZPMWJPRVMNIIIK-UHFFFAOYSA-N 309.453 6.065 30 10 DKEE C[C@@H](c1ccc(Br)cc1)C1(C=O)CCC(C)(C)CC1 318894381 IQMBNOBLNZNSFN-ZDUSSCGKSA-N 323.274 5.338 30 10 DKEE COC(=Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1 888085050 MIDUQORSQGORPQ-PZFGMSNSSA-N 313.400 5.582 30 10 DKEE Clc1cccc(C=NN(Cc2ccccc2)c2ccccc2)c1 1084390716 DYFZXYORAXLTSY-UHFFFAOYSA-N 320.823 5.381 30 10 DKEE Clc1cc(Cl)cc(C#Cc2cccc(Cl)c2Cl)c1 1614826496 WTMFJBFRIOQYOG-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE CCc1ccc(C(=O)/C=C/c2c(OC)ccc3ccccc23)cc1 1874572767 DOQGECPRSFXVEC-BUHFOSPRSA-N 316.400 5.307 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccccc2Cl)s1)C(C)(C)C 1919678141 QYTWPCRGMWPAKG-MRXNPFEDSA-N 306.858 5.704 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1ccc(C)c(C)c1 1922055149 OXQKOWBTOZHTTE-JOCHJYFZSA-N 323.480 5.117 30 10 DKEE CC(C)(C)[C@H](CS)CN(Cc1ccccc1)C1CCCCC1 1932028313 BCNAAMHHIGKUPA-SFHVURJKSA-N 319.558 5.413 30 10 DKEE SCC1(CN(Cc2ccccc2)C2CCCCC2)CCCC1 1932029644 WLNBWDIANPMNIE-UHFFFAOYSA-N 317.542 5.312 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Br)cs1 2026020508 YCJYUAGBXKGCBF-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE CCCCCCCCC[C@H](N)c1scc(Cl)c1Cl 2035093829 NOZOOKDXIKXPEY-LBPRGKRZSA-N 308.318 6.195 30 10 DKEE C=CCC[C@H](C)Oc1ccc(Br)c(C(F)(F)F)c1 2040518792 KARZRLYQDRZSTE-VIFPVBQESA-N 323.152 5.201 30 10 DKEE C=CCC[C@H](C)Nc1ccc(C(F)(F)F)cc1Br 2048238689 UNFCMNFLLSCBQI-VIFPVBQESA-N 322.168 5.235 30 10 DKEE CCCCCCCCC[C@@H](N)c1snc(Cl)c1Cl 2048325021 SXBDNTSIJWFHEQ-SNVBAGLBSA-N 309.306 5.590 30 10 DKEE CCC1CCC(C=O)(Cc2cc(Cl)sc2Cl)CC1 2074820565 SJRADLRDUYNEOJ-UHFFFAOYSA-N 305.270 5.383 30 10 DKEE CCCCCCCC[C@@H]1Nc2cc(Br)ccc2O1 2086285454 NZYSYJVHTNREQJ-OAHLLOKOSA-N 312.251 5.330 30 10 DKEE CC(C)(Nc1cc(Br)cc(C#N)c1)C1CCCCC1 2094161671 VDBFIPNLDIEUJL-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CCCCC[C@H](NCCC)c1c(Cl)cccc1Cl 2123088831 NAVQVTWVQJOIBJ-HNNXBMFYSA-N 300.273 5.781 30 10 DKEE CCC[C@H](N=C1N[C@H](c2cccs2)CS1)c1cccs1 2175635465 BLNAYVUFJJTLFL-RYUDHWBXSA-N 322.524 5.085 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1ccccc1Br 2271835163 OZIKPGYLNVZMJT-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE C=CCC[C@H](C)[C@H](OCCCN)c1cc(Cl)c(Cl)s1 2276384300 CQBHRYGJENWJMY-GWCFXTLKSA-N 322.301 5.064 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCC2(C(F)(F)F)CC2)C1 2281275616 HXIIWBFTNBCSIC-FRRDWIJNSA-N 305.409 5.171 30 10 DKEE C=CCCCSC[C@H](NCCC)c1ccc(F)cc1Cl 2287078059 GPNZVMFNJZSJMS-INIZCTEOSA-N 315.885 5.219 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2295010273 BPLLQBPOOFYMOJ-GFCCVEGCSA-N 305.409 5.554 30 10 DKEE C=CC[C@H](C)SC[C@H](NCCC)c1ccc(Cl)s1 2313641988 OACBOBATGBHTQN-RYUDHWBXSA-N 303.924 5.140 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2321225217 OQZZXZGTNKTSRO-ZIAGYGMSSA-N 307.648 5.673 30 10 DKEE CC1(C)CC(CS)(CSc2ccc(Cl)cc2Cl)C1 2321753664 VMKVJARCGPTHEL-UHFFFAOYSA-N 321.338 5.822 30 10 DKEE Cc1ccccc1CON=C(c1ccc(C(C)C)cc1)C1CC1 2330303300 BOZSMAAZVNTKJO-UHFFFAOYSA-N 307.437 5.449 30 10 DKEE CC(C)(C)c1ccc(CON=C(c2cccs2)C2CC2)cc1 2330347346 WBJKGSAFVWYXNY-UHFFFAOYSA-N 313.466 5.377 30 10 DKEE N#Cc1cc(Br)cc(OCC2CCCCCCC2)c1 2342894102 QIVIQBKIQXYRIO-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE C=CCCC[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352819208 XDZSNSGTLQIYFS-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE C=CCC(CC=C)Oc1cc(Cl)sc1CN[C@@H](C)CC 2360214285 GZHDVGVHDWKDQU-LBPRGKRZSA-N 313.894 5.189 30 10 DKEE C[C@@H](Nc1oc(-c2cccc(Cl)c2)nc1C#N)c1ccccc1 39841450 WYEUXQMZNVLVSF-GFCCVEGCSA-N 323.783 5.040 30 10 DKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2 39842636 RRJAFOPPNBBASB-APSNUPSMSA-N 319.187 5.226 30 10 DKEE CC(C)Oc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 83194128 GXPFUQPSDKRCKY-NTEUORMPSA-N 320.432 5.249 30 10 DKEE C=C(CC)CC(=O)c1ccc(Br)cc1C(F)(F)F 97208298 ASRNMKJJVAXGAB-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE Cc1ccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c(Cl)c1 110263096 XXTCDWUFZDFPON-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCCCCc1cc(C)c(CCCCCCCCCCC=O)o1 140136092 SLVLFDURORJAQZ-UHFFFAOYSA-N 320.517 6.573 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1sccc1Cl 162349331 UMUROFZAHHOZPM-INIZCTEOSA-N 315.954 6.583 30 10 DKEE Cc1ccc(Br)c(Nc2ccc(C#N)cc2Cl)c1 164002584 GMOXPOBTZCLYPI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC#CC[C@@H](CC(C)C)NC(=O)OC(C)(C)C 216250874 ZSELFWMRUYPRQY-KRWDZBQOSA-N 309.494 5.290 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Br)cc2)C1 222273372 KBPXEUQUZIZTRY-XUJVJEKNSA-N 324.287 5.260 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccoc1Cl 232948090 SOLIANBDQUPBDI-MRXNPFEDSA-N 300.870 6.277 30 10 DKEE CCCCCCC[C@](C)(O)Cc1ccc(Br)cc1 232954031 RMKAFNGRUFSEES-INIZCTEOSA-N 313.279 5.103 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(Cl)ccc1Br 233548324 FKJMRLLDRWHEME-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CC(=NNc1nc2ccccc2s1)c1ccc(C(C)(C)C)cc1 254391217 OBCUQRSXWZBIIH-UHFFFAOYSA-N 323.465 5.430 30 10 DKEE CC(C)C[C@H](C)[C@@H](C#N)Sc1ccc(Br)cc1 302585526 SRMHJVRJFZGBBY-SMDDNHRTSA-N 312.276 5.116 30 10 DKEE N#Cc1cc(Cl)ccc1Sc1ccc(Cl)cc1Cl 322806043 RZQDZWPPGGTCLE-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE C=CCCCCCC(=O)c1ccccc1OCc1ccccc1 381998549 QOHAQHICKQIXAE-UHFFFAOYSA-N 308.421 5.585 30 10 DKEE N#C[C@@H](CC1CCCCCC1)Nc1cccc(Br)c1 394532812 LVQWQZPSAFJUAV-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE C[C@](C#N)(CC1CCCCC1)Nc1cccc(Br)c1 709759281 WRIKIWNXAGRRTB-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CC(C)CC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 710771103 UTQHHLOJYICIBF-QGZVFWFLSA-N 322.493 5.275 30 10 DKEE C=CCCC(C)(C)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 717667188 MJFMBHUCIXWPEI-UHFFFAOYSA-N 303.189 5.058 30 10 DKEE Cc1c(C=Nc2ccc(-c3ccccc3)cc2)c2ccccc2n1C 1083915623 PXIWRQADUSYCOF-UHFFFAOYSA-N 324.427 5.904 30 10 DKEE FC(F)(F)c1ccc(C#Cc2c(Cl)cccc2Cl)cc1 1614730665 HJUAIGANAAXSHR-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCCCNC(=O)c1cc2cc(C)ccc2o1 1859671428 PSVRXDMLDJFFCL-UHFFFAOYSA-N 315.457 5.612 30 10 DKEE CCCCCCC[C@](C)(O)C(=O)c1ccc(Cl)cc1Cl 1919413583 BGPKUXKIPKCDRP-INIZCTEOSA-N 317.256 5.288 30 10 DKEE CCCCCCCCC[C@]1(O)C[C@@H](C)N(Cc2ccccc2)C1 1919636601 QSDBRSDCOHWSRS-CTNGQTDRSA-N 317.517 5.153 30 10 DKEE C=CCCCC(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925625083 WIDFCWPEUXIAGK-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE CCCCCCC[C@@H](O)c1cc(C)sc1Br 1939959481 QSSIJRAOTNJHOJ-GFCCVEGCSA-N 305.281 5.213 30 10 DKEE CCCCCCC[C@@]1(O)CCCC[C@H]1OCc1ccccc1 1959253100 PUUBYUOKBFLUDT-WOJBJXKFSA-N 304.474 5.237 30 10 DKEE CCCCCCCCC[C@H](N)c1ccn(Cc2ccccc2)n1 1992794158 NLIFEDXZMLUZTF-IBGZPJMESA-N 313.489 5.072 30 10 DKEE C=C(Cl)CC[C@H](NCCC)c1cccc(Br)c1 2003683845 RMBVNSKVKMYYIH-AWEZNQCLSA-N 316.670 5.023 30 10 DKEE C=CCCCCCCC(=O)Cc1ccccc1Br 2085849877 PIEOABRQOIDAJT-UHFFFAOYSA-N 309.247 5.087 30 10 DKEE N#CC1(Cc2ccc(Cl)cc2Cl)C[C@@H]2CC[C@H](C1)S2 2089750630 DXGMNPQWHKEREK-NNQSOWQGSA-N 312.265 5.104 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)c(Cl)c2)CCCC(F)(F)C1 2128424599 RKRMHCZMSMKDST-CYBMUJFWSA-N 304.167 5.255 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2139133595 YINLSKRFNGKADS-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@@H](NCCC)c1nccc(Cl)c1F 2154329634 KJGYIUXSFGLCQW-CQSZACIVSA-N 300.849 5.275 30 10 DKEE C=CCCCCCCC[S@](=N)(=O)Cc1ccc(Cl)cc1 2235768735 KGETTWXNIHJSMN-FQEVSTJZSA-N 313.894 5.413 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(Cl)c(OC)cc1Cl 2281527918 SMNCGNBWVBMWNL-HNNXBMFYSA-N 316.272 5.399 30 10 DKEE CCCCCCC[C@@H](OCCC(=O)O)c1cc(Cl)cs1 2291933654 UZCLNANCNHUPHX-CYBMUJFWSA-N 318.866 5.294 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 2294300074 PLGXRPDALSLRCU-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2323809041 NLIPBIVPYQBRHQ-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE C=CC[C@H]1CCC[C@H]1NCc1cc(-c2cccs2)cs1 2362240171 OEUSVXYBXVUFLZ-XJKSGUPXSA-N 303.496 5.311 30 10 DKEE C=CCC(CC=C)[C@H](N)c1ccc(SC(F)(F)F)cc1 2364035821 VABFBMUPWSQKRA-AWEZNQCLSA-N 301.377 5.067 30 10 DKEE CCCC(CS)(CCC)CN1CCC(F)(F)[C@@]1(C)CC 2365843265 RDWWKSUTRPDFKI-CQSZACIVSA-N 307.494 5.013 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2 14548836 KYAZTHJCMMFORA-RZQQEMMASA-N 323.461 5.530 30 10 DKEE C[C@H]1CC[C@@H](C#N)[C@H](Sc2cc(Cl)ccc2Cl)C1 37154539 GNEPHALWVMFELB-OUJBWJOFSA-N 300.254 5.414 30 10 DKEE N#Cc1c(F)cccc1Nc1cc(C(F)(F)F)ccc1Cl 71670958 UTZDCBLOJFTWMQ-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(F)c(Br)c2)C1 87972796 BTXONSGPBMIKHR-WBMJQRKESA-N 324.237 5.241 30 10 DKEE CCCCCCCCCCCCCC[C@@H](O)c1ccccc1 105328028 PJPWREUFKLTREV-OAQYLSRUSA-N 304.518 6.811 30 10 DKEE CC[C@@H](C)Oc1cccc(Nc2cc(Cl)ccc2C#N)c1 110258116 FOXWKTUTKYWAIW-GFCCVEGCSA-N 300.789 5.133 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cccc(F)c1Cl 158975776 QXTHAGSFNYZMEN-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 218317680 ZYRQGFMFBKPQJV-RLCCDNCMSA-N 312.240 5.137 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C)N2 226854821 QSMQKHUGSNJSNU-XQBPLPMBSA-N 317.432 5.386 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(Cl)ccc1Br 233582663 UQAIPONDWGOLKF-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C=CCCC[C@H](NCCC)c1ccccc1OCc1ccccc1 310162431 QNWFXTJWAZPYJJ-NRFANRHFSA-N 323.480 5.663 30 10 DKEE C[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(F)c(Cl)c1 695769984 MURQSEXCSSUUAW-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)C1(C)CCCC1 698468866 NGZCQZKKQUGEGM-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)CCC(C)(C)C 698483268 JDZLJFXKHUAGAT-KSSFIOAISA-N 310.482 5.131 30 10 DKEE FC(F)(F)c1ccc(C#Cc2ccccc2C(F)(F)F)cc1 1614755470 VMLQXXDMHTZQHU-UHFFFAOYSA-N 314.228 5.124 30 10 DKEE C=C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C1CCC1 1892935024 UMANMHDXFHYHQK-ZANVPECISA-N 302.220 5.138 30 10 DKEE CCCCCCC[C@H](O)c1sc(Br)cc1C 1939443998 KHXLTGGATJQOSG-NSHDSACASA-N 305.281 5.213 30 10 DKEE C=C(COCc1ccccc1)[C@](C)(N)C1CCC(CCC)CC1 1980256267 RXTHYTYALAJVCV-MNLRITNHSA-N 315.501 5.083 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Br)cs1 1996465975 FFEZPMGBAYKQFP-FZMZJTMJSA-N 316.308 5.154 30 10 DKEE CCCCCCCC(=O)c1cccc(Cl)c1Br 2000211715 OAHKLROLKZCDNX-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE C=CCCCC[C@H](O)c1cc(Cl)c(C)cc1Br 2009530231 XYVAFFKQVCVUGM-AWEZNQCLSA-N 317.654 5.191 30 10 DKEE CCCCCC#CCOc1ccc(Br)c(Cl)c1 2024413444 MCXIHFRAQPDVNV-UHFFFAOYSA-N 315.638 5.065 30 10 DKEE C=C(C)CCC[C@H](NCCC)c1cccc(Br)c1 2050512401 FGSCDYKPFBMPCO-INIZCTEOSA-N 310.279 5.236 30 10 DKEE CCC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 2060406167 JKSVGHJAHVEOBA-JLHYYAGUSA-N 316.400 5.411 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1cc(Cl)sc1Cl 2074834590 FCQOOOPWRXTAEO-SNVBAGLBSA-N 306.302 5.178 30 10 DKEE CC(C)(C#N)CCCNc1cc(Cl)c(F)c(Cl)c1F 2135976161 KSTLNXQZLWHSKC-UHFFFAOYSA-N 307.171 5.013 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1scc(Cl)c1Cl 2138980202 AYKXQEJBCXOHNR-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE CCNc1cccc(C#Cc2cc(Cl)c(Cl)cc2Cl)c1 2201274168 SUESFLALPHPQJV-UHFFFAOYSA-N 324.638 5.478 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2ccc(-c3cccs3)s2)CC1 2205871589 KJRXFRKDZVKNMA-GFCCVEGCSA-N 302.464 5.796 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1 2207428929 DFXVRIWOTNOFRI-KRWDZBQOSA-N 314.300 6.300 30 10 DKEE N#Cc1ccc(NCCCCCCC2CC2)c(Br)c1 2225785404 CKRYIGNLYABAMX-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235756912 MJIYEYSJVOBNFU-WCQYABFASA-N 312.240 5.386 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2236310890 RRRMIVRLZJOZQT-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CCCCCCCCCO[C@@H](C)C(=O)c1ccc(Cl)s1 2239538703 XZKNNABTIRXVGP-ZDUSSCGKSA-N 316.894 5.740 30 10 DKEE C=C(CC)C[C@@H](NCC)c1scc(Br)c1Cl 2242663421 VSGGGMNDCUXCKC-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=C(C)CC[C@@H](NCC)c1sc(Br)c(C)c1C 2247229022 RSYWXDLZTHUUSS-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(Br)cc1Cl 2250158897 MHGSAFZLICHQTC-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE C=CCCCS[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 2258997589 OVQCUKOEVAHHTN-JTQLQIEISA-N 303.254 5.264 30 10 DKEE C=C[C@H](C)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2260239962 GCMONOPHFYLEBG-UWVGGRQHSA-N 306.664 5.510 30 10 DKEE C=CCCCSC[C@@H](NC)c1cc(Cl)cc(Cl)c1F 2271493189 UMZQUNKGWWIEPF-CYBMUJFWSA-N 322.276 5.092 30 10 DKEE CCCCCCCC[C@H](OCCN)c1cc(Cl)cs1 2276136030 DJKSMKZAGYSLFG-AWEZNQCLSA-N 303.899 5.169 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](SCC2CC(C(F)(F)F)C2)C1 2287328163 HFDNJOKVMHJPOU-DGOFFYKESA-N 305.409 5.027 30 10 DKEE CCCN[C@@H](CC#CC1CCCC1)c1cc(C)c(Cl)s1 2289856246 ZPRUAISGWWWUSI-HNNXBMFYSA-N 309.906 5.334 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1nc(C(C)(F)F)cs1 2296057657 ODZCNGHJNCXKHG-LBPRGKRZSA-N 302.434 5.042 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSc1ccc(Cl)c(Cl)c1 2327089443 PVLWVNDOLVPKTB-AWEZNQCLSA-N 323.354 6.068 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(C)cc(Br)c1 2344382139 DYSIYWZSXOYABR-IRXDYDNUSA-N 324.306 5.401 30 10 DKEE C[C@@H]1C[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)CCS1 2349797521 QPAWIDPWDWCXNG-OTYXRUKQSA-N 318.244 5.100 30 10 DKEE Cc1c(Cl)ccc([C@@H](C)C2(C#N)CCSCC2)c1Cl 2353184741 CCJCWHFTSIBQNT-LLVKDONJSA-N 314.281 5.442 30 10 DKEE C=CCC(CC=C)S[C@H](c1ccccc1Cl)[C@H](N)CC 2360198141 CWQXAZIUPGNCNJ-IAGOWNOFSA-N 309.906 5.372 30 10 DKEE C=CCC(CC=C)[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2364044452 WDGVAVOBYKWQJC-AWEZNQCLSA-N 304.739 5.161 30 10 DKEE C=CCC(CC=C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2364096899 ZUWJZPSMVJLGDY-KRWDZBQOSA-N 312.284 5.282 30 10 DKEE Clc1cccc(/C=N/N(c2ccccc2)c2ccccc2)c1 6240540 LPRAQUCMQJCNKA-RCCKNPSSSA-N 306.796 5.512 30 10 DKEE C=CCOc1ccccc1CNc1ccc(Cl)cc1Cl 37196787 BEVWHVCXVRORHG-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE CN(Cc1ccccc1Cl)CC1(CS)CCCCCC1 94581493 KTPWFCSVVUZUTB-UHFFFAOYSA-N 311.922 5.042 30 10 DKEE CCCC(CS)(CCC)COc1c(Cl)cccc1Cl 94584815 HTPOHOSOAOKBTA-UHFFFAOYSA-N 321.313 5.889 30 10 DKEE SC[C@@H](CSc1nc2ccccc2s1)c1ccccc1 94588987 LXVMSZYGXKLVPX-ZDUSSCGKSA-N 317.504 5.102 30 10 DKEE CCCCCCC[C@H](NCC)c1ccccc1Br 109731247 XAZCSHZKFIQMNQ-INIZCTEOSA-N 312.295 5.460 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1ccc(Cl)cc1Cl 109945349 DWSPOPKBSSOAJD-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=C(C)[C@@H](C(C)C)N(Sc1ccccc1)C(=O)OC(C)(C)C 141310608 NXPVSFUIKPVAMA-INIZCTEOSA-N 321.486 5.532 30 10 DKEE Cc1cc(C#N)ccc1CSc1cc(Cl)ccc1Cl 165991933 ALHDLPQGULAZHP-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(Br)c(Cl)c1 167819914 UQTJQCAMNJSDTC-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE Cc1ccc(Sc2cc(Br)cc(C#N)c2)c(C)c1 227637572 VSJPDWDWLBVGTD-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCCCNc1cc(Cl)c(F)cc1[N+](=O)[O-] 232942056 BGESEHYWKPGDCB-UHFFFAOYSA-N 302.777 5.160 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1c(Cl)cccc1C(F)(F)F 695856767 AEGZQWBRUJUTSB-VIFPVBQESA-N 304.743 5.099 30 10 DKEE Cc1ccc([C@@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)cc1 698480864 YSMUVLRAHHLZSL-GOSISDBHSA-N 322.408 5.001 30 10 DKEE CCCCCCC[C@@H](NCC)c1oc(Br)cc1C 716173550 NBMDPOZKDJFGPE-CYBMUJFWSA-N 316.283 5.362 30 10 DKEE CCCCCCCCC[C@@H](O)C[C@H](C)COCc1ccccc1 719511688 XFIBPWFCKJEMNM-PZJWPPBQSA-N 320.517 5.731 30 10 DKEE C=CCCN(Cc1ccccc1)[C@H](C)CCCCNC(C)(C)C 1901760867 DITVISJEGLAGCA-LJQANCHMSA-N 316.533 5.012 30 10 DKEE CCCCCCC[C@](C)(O)Cc1cccc(Br)c1 1919911256 XJQPOPRHXLDTKT-INIZCTEOSA-N 313.279 5.103 30 10 DKEE C=CCC[C@@H](C)[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1975903403 UYZAJALIGVWODD-UTKZUKDTSA-N 310.437 5.075 30 10 DKEE C=CCCCC[C@H](NCCC)c1sccc1Br 2009485681 XVDFPGXOBGJGIV-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE CC[C@](C#N)(Cc1ccc(Cl)cc1Br)C(C)C 2012408616 DMBLDKGIFPKUKQ-CQSZACIVSA-N 314.654 5.221 30 10 DKEE CCC1CCC(C#N)(Cc2cccc(Br)c2C)CC1 2087418150 DZECNTPKADKUBD-UHFFFAOYSA-N 320.274 5.410 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1cscc1Cl 2090995640 IOUJTZSLBASBQL-OAHLLOKOSA-N 302.867 5.145 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Cl)cc1Cl 2102112978 WMOMJOGOKQSPHV-WBMJQRKESA-N 300.273 5.636 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1cc(Cl)cs1 2142451590 YHRXDQMJUYCIDA-CQSZACIVSA-N 300.899 5.213 30 10 DKEE C[C@H]1CCC[C@@](C#N)(Cc2csc(-c3cccs3)n2)C1 2144696001 ZIVGUZXEPCFTPQ-LRDDRELGSA-N 302.468 5.134 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H](O)c1cc(Cl)cs1 2148601984 QCTIVBHOJNDPFT-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1cccc(SC(F)(F)F)c1 2164078220 MILIWQZXZWLWCF-RISCZKNCSA-N 303.393 5.161 30 10 DKEE CC#CC[C@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2164105163 PLGGSIFOGKGGFK-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1nc(Cl)cs1 2196946210 DPSUDIQVWCHTSL-AWEZNQCLSA-N 317.926 6.141 30 10 DKEE CCCCCCCCCNc1cc(OC)c(Cl)cc1Cl 2203258685 NBEJOWGQSNVFGZ-UHFFFAOYSA-N 318.288 6.165 30 10 DKEE C=C[C@@H](CCCCC)OC[C@@H](N)c1ccc(Cl)cc1Cl 2239489743 LFFOIPAJFGYLJC-XJKSGUPXSA-N 316.272 5.145 30 10 DKEE C[C@@H](Nc1c(Br)cccc1C#N)C1(C)CCCCC1 2269701226 HCZGATBTQMEHBM-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@H](NC)c1csc(C(C)(F)F)n1 2289380412 FBLBZPVCZMVFQG-LBPRGKRZSA-N 304.450 5.266 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc(C(F)F)cs1 2294330895 OCFFBDAHBCZKAL-CYBMUJFWSA-N 305.434 5.063 30 10 DKEE CCCCCc1ccc(C(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313534825 HKGOLUKEVFWAFB-UHFFFAOYSA-N 323.392 5.224 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1cccc(Cl)c1 2330497676 ZJWPGPYSJDRQIC-UHFFFAOYSA-N 309.796 5.434 30 10 DKEE C=C(C)CC[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2341111457 VGLZSAPPVROJMT-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(Cl)c(C)c1Cl 2353055649 YYQOPFMLGBGRSK-DGCLKSJQSA-N 300.273 5.697 30 10 DKEE CCCCCCCCCNCc1nc(C(C)(F)F)cs1 2360811197 GOEFARYHICGMBH-UHFFFAOYSA-N 304.450 5.095 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 20758160 HHJMNLKEPZHJIP-MBOZVWFJSA-N 303.405 5.078 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2ccc(Cl)c(Cl)c2)cc1C 61681914 MHGSLCAMFXWEKJ-AWEZNQCLSA-N 318.203 5.100 30 10 DKEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426754 PVCLUVJIHYRAPI-MBNYWOFBSA-N 308.878 5.182 30 10 DKEE CC(C)c1nc(CSC2CCCCC2)sc1CS 82430207 YJAAWSMJJYOUIJ-UHFFFAOYSA-N 301.546 5.262 30 10 DKEE CSc1ccc(C)cc1C(=O)/C=C/c1c[nH]c2ccccc12 83193167 MYIAPYIECYWNOP-CMDGGOBGSA-N 307.418 5.094 30 10 DKEE CCSc1ccc(C)cc1C(=O)/C=C/c1ccc(F)cc1 83193185 JGMDBVGSUFWRBZ-JXMROGBWSA-N 300.398 5.142 30 10 DKEE Cc1cc(C#N)cc(C)c1OCc1c(Cl)cccc1Cl 88154750 STWDERZNNFEYII-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE CCCCCCCCCNc1ccc(C)c(Br)c1 110170193 DYXJMIYFHAGZGB-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE C[C@@H](c1ccc(Cl)cc1)N(C)c1cc(Cl)ccc1C#N 110258447 GESYEGIYRQDMJC-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCC[C@@H](O)c1sc(C)cc1Br 115064784 ZBKJDYTUKXUZNT-CYBMUJFWSA-N 319.308 5.603 30 10 DKEE CCSc1cccc(N(Cc2cccs2)C(C)C)c1C#N 136638326 MVHDUNZFVYLFBP-UHFFFAOYSA-N 316.495 5.147 30 10 DKEE N#Cc1cc(F)cc(CSc2cc(Cl)ccc2Cl)c1 163760704 QVPZYWRUEWYVKP-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=C(C)CC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 164516215 UWNGILMOBCKULG-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2ccc(C(C)(C)C)s2)CC1 166300582 YOSQADULFZVGMC-HNNXBMFYSA-N 305.487 5.189 30 10 DKEE C=CCCCCCCNc1cc(C(F)(F)F)cc(Cl)n1 383696681 ZTPXPJARDLHSOM-UHFFFAOYSA-N 306.759 5.302 30 10 DKEE CC(C)(C#N)CCCCOc1cccc(OCc2ccccc2)c1 399143696 HAELPMLTRJPSAE-UHFFFAOYSA-N 323.436 5.364 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC12CCCCC2 698815714 MRWPUZGJHNKRDL-IBGZPJMESA-N 320.477 5.030 30 10 DKEE CCCCCCC[C@@](C)(C#N)N(CCC)C(=O)OC(C)(C)C 710827037 GPDJOUKFVCFHKY-SFHVURJKSA-N 310.482 5.276 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712603642 BAHGQPPLTJIPNN-CQSZACIVSA-N 305.771 5.366 30 10 DKEE Fc1cc(SC(F)(F)F)cc2sc(C(F)(F)F)cc12 725305016 JWPSARXXADLTRE-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CC(C)Cc1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1 1614827197 POMYJDSWNVVXLM-UHFFFAOYSA-N 303.232 5.592 30 10 DKEE C[C@@H](CCS)CCN(Cc1ccccc1)C1CCCCC1 1932028465 DYGXERJWUHYTTI-QGZVFWFLSA-N 305.531 5.167 30 10 DKEE CC[C@@H]1CC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1977419021 AULSKZZNEQNAQA-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCCCCCCCN(Cc1ccccc1)CC1CCCCC1 1990765385 SBZRXPYVJQAVIY-UHFFFAOYSA-N 315.545 6.429 30 10 DKEE C[C@H]1C[C@](C#N)(Cc2cc(Cl)sc2Cl)CCS1 2019144568 GSQLOIQLFPNQJP-UFBFGSQYSA-N 306.283 5.023 30 10 DKEE CCCCC#CCNc1ccc(Br)c(Cl)c1C 2024347528 QSHJSZYBLXJVBP-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE CCCCCCCC(=O)[C@H](O)c1cc(Cl)c(Cl)s1 2037474241 CIPCSHRLYZTRBH-LBPRGKRZSA-N 309.258 5.018 30 10 DKEE C=CC[C@H](C)C[C@H](NCCC)c1ccc(Br)cc1 2050518747 ODXXVXKRILMBHH-BBRMVZONSA-N 310.279 5.092 30 10 DKEE C[C@H](c1ccccc1C1CC1)n1nc(C2CCCCC2)cc1C#N 2070099628 PRRQVAWWADAIFU-OAHLLOKOSA-N 319.452 5.289 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1cccc(CC)c1 2070123884 RJCFKUMXLJHGHQ-MRXNPFEDSA-N 306.453 5.084 30 10 DKEE CC(C)C(C(C)C)[C@H](C)Nc1ccc(C#N)cc1Br 2087328418 VQZOMUFZSDJKAF-LBPRGKRZSA-N 323.278 5.049 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(Cl)cncc1Cl 2098350863 RBEBWVAUKSYIKT-CQSZACIVSA-N 303.277 5.529 30 10 DKEE CCCCCCC[C@](C)(N)c1c(Cl)ccc(Cl)c1F 2139410484 FKGIOWDUDOFJSU-HNNXBMFYSA-N 306.252 5.667 30 10 DKEE C=C([C@H](NCC)c1cc(-c2cccs2)cs1)C(F)(F)F 2164119381 AONPSRWTZKPTQJ-ZDUSSCGKSA-N 317.401 5.246 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1ccsc1Cl 2164249819 OGOOPPJTFBCFSB-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(C(F)(F)F)cs1 2164264465 JRQUZXSMECCVTG-FZMZJTMJSA-N 305.409 5.410 30 10 DKEE C=CC1(C[C@@H](N)c2cccc(SC(F)(F)F)c2)CCC1 2168021942 CGTRBWREEBZINP-CYBMUJFWSA-N 301.377 5.045 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(F)c(F)cc1Cl 2168655173 NCNGEVRARWEYGV-BDJLRTHQSA-N 301.808 5.261 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cc(Cl)ccc1Cl 2231535442 GVSGQBYAELUYOL-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1ccc(Cl)c(Cl)c1 2231571603 FKYAXBJKFZACIY-TZMCWYRMSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCCCC[C@@H](NCCC)P(C)(C)=O 2237216417 RPIUXOHVNBVTJS-KRWDZBQOSA-N 301.455 5.632 30 10 DKEE CCCC(CS)(CCC)CSC[C@H]1CCCCC1(F)F 2283149470 YPZXLZUHXLZYAF-CQSZACIVSA-N 324.546 6.062 30 10 DKEE C=CCCCCC[C@H](OCCN)c1cc2cscc2s1 2292900871 XVOWEYZQAOGBOS-AWEZNQCLSA-N 309.500 5.116 30 10 DKEE C=CC1(C[C@H](NC)c2sc(C(F)(F)F)cc2C)CCC1 2295250060 NXUYXZLOAODIGW-NSHDSACASA-N 303.393 5.082 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1cc(Cl)cs1 2295683076 XKDSSRNIGNGPKI-HZPDHXFCSA-N 317.926 5.293 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1ccc(C)c(Br)c1 2321109246 XMHFZGXMMOPSKA-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE CSc1ccc(C(=NOCc2ccc(C)cc2)C2CC2)cc1 2330389792 QVNUKFWVECRBDO-UHFFFAOYSA-N 311.450 5.048 30 10 DKEE C=CC[C@@H](C)Sc1ccc(F)c(Cl)c1CNC(C)C 2335237551 GEGWHHNGJMZIRA-LLVKDONJSA-N 301.858 5.034 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2349797447 PVOFNIVKRCITFV-BMIGLBTASA-N 300.204 5.395 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2365810312 PHBVZFVADCHQQT-ZDUSSCGKSA-N 313.894 5.035 30 10 DKEE CC(C)c1ccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)cc1 14462608 KPGTYSGPBBTJDK-CNNODRBYSA-N 314.432 5.508 30 10 DKEE Cc1cc2nc(CCC3CCCCC3)n(C[C@H](C)C#N)c2cc1C 57802104 GRAPKJMZPHYXHK-OAHLLOKOSA-N 323.484 5.326 30 10 DKEE CCCCCCCN[C@H](CC)c1ccc(Br)cc1 59434577 JWNMQFKHPATYPP-MRXNPFEDSA-N 312.295 5.460 30 10 DKEE CC(C)Cn1c(Cl)c(C#N)c2cc(Cl)cc(Cl)c21 71466241 UAUOHMLYBAUBDZ-UHFFFAOYSA-N 301.604 5.129 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc2cccc(Br)c2o1 97284193 VQHMHADUMPYMFR-CQSZACIVSA-N 322.246 5.202 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccccc1Cl)C(=O)O 110915813 MJXXWBRTHMPENA-INIZCTEOSA-N 310.865 5.724 30 10 DKEE CCCCCCCCC(=O)c1cc(F)cc(Br)c1 118040632 WJMRVURTJSTBOS-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE CCCCCCCCC[C@H](NN)c1csc2ccccc12 122231090 VWXZRPWDTZQUMW-KRWDZBQOSA-N 304.503 5.546 30 10 DKEE CCCCCCCCCCn1c(S)nc2cc(C)cnc21 129435721 XZDUHWMCMXXQJM-UHFFFAOYSA-N 305.491 5.169 30 10 DKEE C=CCCCCC[C@H](NCCC)c1c(Cl)cccc1Cl 233124580 UWGQZRAHFISADA-INIZCTEOSA-N 314.300 6.171 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1cc2sccc2s1 312216958 WNOJRJDXWOFUEF-CYBMUJFWSA-N 305.512 5.443 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCCC[C@H]1C 314522496 GOTIHNWXEIWNMF-CJNGLKHVSA-N 306.247 5.020 30 10 DKEE C=CCCCC(=O)[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 405968449 GSMPISNVPCYFFU-CQSZACIVSA-N 317.429 5.063 30 10 DKEE C=C(C)CCOC[C@H](NCCC)c1c(Cl)cccc1Cl 708900304 OZXSCWHTZGIWME-HNNXBMFYSA-N 316.272 5.017 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(C)c(Br)s1 710646505 VMHOEDLHUVVYKS-SNVBAGLBSA-N 322.699 5.002 30 10 DKEE C=C(C)CC[C@H](NCC)c1c(Cl)cccc1C(F)(F)F 712580911 MRLYGDIBLBVXTF-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE CCCCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccccc1 1614593194 KIIVYBZVRMCGCN-DCDYOYONSA-N 323.485 5.735 30 10 DKEE CCCCCCCCCCCC(=O)N(CC)c1cccc(C)c1 1866332400 STGKZZKYAKYDMX-UHFFFAOYSA-N 317.517 6.269 30 10 DKEE C=CCOc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874596728 AOFLUCQYTNGAEB-NTEUORMPSA-N 320.432 5.445 30 10 DKEE CCCCCCCN[C@H]1CCCC[C@H]1OCc1ccccc1 1959246712 AZGSIXCNXYOZNO-VQTJNVASSA-N 303.490 5.074 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cccc(C)c1Br 2040531951 BENLAOBOAQVJCY-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2snc(Cl)c2Cl)CC1 2061198039 YYWRMYTXGKTNAC-MRVPVSSYSA-N 304.242 5.015 30 10 DKEE CC(C)c1ccc([C@H](C)n2nc(C3CCCCC3)cc2C#N)cc1 2070086849 KTMMEQSYPGSDBR-INIZCTEOSA-N 321.468 5.535 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cccc(Br)c1C 2083291611 KYWWJMBJUHGRGH-WBMJQRKESA-N 310.279 5.010 30 10 DKEE C[C@H](CC1=CCCCC1)Nc1ccc(C#N)c(Br)c1 2105127188 WVNATHIIXDRHNK-GFCCVEGCSA-N 319.246 5.012 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cc(F)cc(Br)c1 2117013174 HETZQUHMBRFSSR-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)cc2Cl)CCCC(F)(F)C1 2128425120 UMRIWNNPCYQNRN-ZDUSSCGKSA-N 304.167 5.255 30 10 DKEE CCCCCC#CC[C@H](NCCC)c1cc(Cl)sc1C 2203823601 PKFIMSAHUSMDND-INIZCTEOSA-N 311.922 5.724 30 10 DKEE C=CCCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2203938987 CQSBFPHMBDMRKM-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE CCCCCCCCCCCCNC[C@]1(Cl)CC1(F)F 2205573250 CSYUPZYCJGTCQP-OAHLLOKOSA-N 309.872 5.514 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2227359577 JLAZIKPOSMOUDQ-MLGOLLRUSA-N 324.306 5.319 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(CCCC(F)(F)C(F)(F)F)C1 2240470539 WYGMWQZOQFZHDV-VXGBXAGGSA-N 300.311 5.140 30 10 DKEE C=CC[C@H](C)[C@H](O)c1c(Cl)cc(Br)cc1Cl 2243538769 OIGMCNJXXVPYBA-MADCSZMMSA-N 324.045 5.002 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Br)c(Cl)s1 2244639970 XTNKYJDKAGCDNG-JTQLQIEISA-N 322.699 5.300 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc(Cl)sc1C 2278174918 ZLGBXHJAPYOMOO-MRXNPFEDSA-N 302.911 6.058 30 10 DKEE C=CCCCCCCCCC[S@@](=N)(=O)CCC(C)(F)F 2283693489 IGSFGBWLGFXWNI-HXUWFJFHSA-N 309.466 5.385 30 10 DKEE C=CCCCCCCCS[C@@H](CN)c1ccccc1Cl 2287095786 DBNNXPQODGAUNN-KRWDZBQOSA-N 311.922 5.600 30 10 DKEE C=CCCCCCCCS[C@H](c1ccsc1)[C@@H](N)CC 2287096697 NXPRMFJMZWTAOF-DLBZAZTESA-N 311.560 5.786 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Cl)ccc1OC(F)F 2287382797 BRQZGPIJTXFIBV-ZDUSSCGKSA-N 303.780 5.078 30 10 DKEE CCCCCCCCCC[C@H](CCSCC)OCCN 2293527212 HYPWZYOKHWIRHI-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE C=C([C@@H](NCC)c1csc(C)c1Br)C(C)(C)C 2303637972 MWJQQAWFEAKRKO-CYBMUJFWSA-N 316.308 5.072 30 10 DKEE CCCCCCCC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2335360861 KTSFCJFQXGOIBA-CQSZACIVSA-N 306.252 5.883 30 10 DKEE CCCCCCC[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2352811855 AOWPELMVCZHDCY-OAHLLOKOSA-N 302.289 5.923 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2352817381 XWBOPPUVIWOJLY-JKSUJKDBSA-N 300.273 5.555 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)CC1CCC(C)CC1 2360453932 MRUWTXSDDAHDSY-LBXVMSDZSA-N 301.540 5.610 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2365078544 MFYTXBGNSAWHAA-CJNGLKHVSA-N 310.268 5.084 30 10 DKEE CC1C/C(=C/c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 6338428 ZHDAXGCYNXSIAE-BQWARBPISA-N 324.370 5.431 30 10 DKEE N#Cc1cnc2ccccc2c1Oc1cc(Cl)cc(Cl)c1 36913479 YKWILWKXIMEUQV-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)c2ccccc12 83204505 WPRMUUMRKWTEHO-WYMLVPIESA-N 316.400 5.443 30 10 DKEE CCCCCCCn1c(-c2cccc(OC)c2)nc2ccccc21 102197018 DDCRKVSICYGONC-UHFFFAOYSA-N 322.452 5.682 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(SC)cc1 109901018 PFGJQPWIYJUKAN-AWEZNQCLSA-N 315.507 5.860 30 10 DKEE CCCCCCCCCC[C@H](Cc1ccc(Cl)cc1)NN 125483235 MVKLPYUVNZLVIW-GOSISDBHSA-N 310.913 5.245 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccc(Cl)cn1 129581494 FVPCPXCPMGPODE-GOSISDBHSA-N 311.897 6.079 30 10 DKEE CCCCCCCCCCn1ccc([C@@H](O)C(F)(F)F)c1 132517624 DNIZENMDTUBWBV-OAHLLOKOSA-N 305.384 5.225 30 10 DKEE CCCCCCC[C@@H](Cc1csc2ccccc12)NCC 132975626 BEADEOGKPAOSSR-KRWDZBQOSA-N 303.515 5.782 30 10 DKEE CCCCCCCCNCc1nc(-c2ccccc2)cs1 159177483 RBSZSKLVSBXJBR-UHFFFAOYSA-N 302.487 5.260 30 10 DKEE CCCCCCCCCC(=O)c1cc2c(s1)CCCCC2 164696023 SEHXZEJDNLDYJK-UHFFFAOYSA-N 306.515 6.340 30 10 DKEE CCCCCCCCCC(=O)Cc1cc(Cl)ccc1OC 165036209 ZTAXUNTZKVXPHG-UHFFFAOYSA-N 310.865 5.601 30 10 DKEE CC(C)CSc1ccc(Sc2ccccc2CC#N)cc1 205173295 SAUWGZWNIRWCSN-UHFFFAOYSA-N 313.491 5.652 30 10 DKEE Cc1c(Cl)cccc1Nc1cc(Br)cc(C#N)c1 227604451 GTXSHXYTYBORGO-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCNCc1csc(C(C)(C)C)n1 229246741 ZEVYGOUBEBIBBW-UHFFFAOYSA-N 310.551 5.671 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1cc(Cl)sc1Cl 307931522 WRXUQPCWROTRJP-SSDOTTSWSA-N 315.200 5.239 30 10 DKEE CC(C)(C)OC(=O)Nc1cccc(C(=O)C2=CCCCCC2)c1 405631445 TYCPZYXBUFDLKW-UHFFFAOYSA-N 315.413 5.107 30 10 DKEE N#Cc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1 514261084 PETKMKYPDQYYGL-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccccc1F 698901105 IVUOARPRFFMNJE-GOSISDBHSA-N 320.408 5.040 30 10 DKEE CCCCCCCCC[C@@H](N)C[C@H](C)COCc1ccccc1 719137585 VDACTPCPABUBHY-PZJWPPBQSA-N 319.533 5.697 30 10 DKEE C=CC1CCC([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 1848442239 ALFLDQIYGBNZCO-GWEOLNPGSA-N 304.424 6.231 30 10 DKEE CCCCCCCCC(=O)Nc1nnc(C(CC)CC)s1 1866090510 TWTYTVQTSUAVPH-UHFFFAOYSA-N 311.495 5.131 30 10 DKEE C=CCCCC[C@H](O)c1cscc1OCc1ccccc1 1885322277 FFKMZAXMTFQFNA-KRWDZBQOSA-N 302.439 5.107 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1C#N 1915377179 FUUMNNHPJCKONK-BHIYHBOVSA-N 324.493 5.394 30 10 DKEE N#Cc1c(Cl)cccc1N(Cc1ccccc1)CC1CCC1 1932004457 XUNMOUUBPXPAAY-UHFFFAOYSA-N 310.828 5.018 30 10 DKEE CCCCCCC[C@@]1(N)CCN(Cc2ccccc2)C(C)(C)C1 1992882580 GITJVVSJAOJZGX-OAQYLSRUSA-N 316.533 5.119 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cccc(Br)c1C 2040533881 NTPSIYMCIIWMSH-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(Br)cc2)C1 2049513829 CORZSPMOYLYKEM-MRXNPFEDSA-N 306.247 5.102 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Br)ccc1C 2123079092 AMTIBMUSADNHFA-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)cc1Cl 2136599070 LZDWREKFKLAUHQ-CQSZACIVSA-N 323.695 5.512 30 10 DKEE C=CCCCCCC[S@](=N)(=O)c1ccc(Cl)c(Cl)c1 2141923293 MCABXJPYIRBJCK-IBGZPJMESA-N 320.285 5.536 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cnc(Cl)cc2Cl)CC1 2157110013 BQJXEBRUSCQTTD-MRXNPFEDSA-N 314.256 5.107 30 10 DKEE CCCCCCCCC[C@]1(O)CCC[C@H](P(C)(C)=O)C1 2160802759 IPUOXPCKZZSCRG-IRXDYDNUSA-N 302.439 5.424 30 10 DKEE C=C[C@@H](C)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2173289857 HHLBJNSNIPNMAM-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE C=CCC(C)(C)OC(=O)CCCSc1ccc(Cl)cc1 2187252856 RAHINHXRMDZMKW-UHFFFAOYSA-N 312.862 5.110 30 10 DKEE C=CCSc1ccccc1N[C@H](C)C(C)(C)C(F)(F)F 2193199920 GZTAAMZGDUEANQ-LLVKDONJSA-N 303.393 5.354 30 10 DKEE C=CCCCCCCCCC(=O)[C@H](O)c1csc(Cl)c1 2207375774 HIWXOHMCGUHEKZ-MRXNPFEDSA-N 314.878 5.311 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1sccc1Cl 2207407754 GIGVXLMYMNNWCK-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](C(C)(C)C)C1 2212100452 MEHLFPFXYUVUTG-KXBFYZLASA-N 322.493 5.131 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(Br)cc1CC 2229191854 FEUTYUYSKXMZPT-CXAGYDPISA-N 324.306 5.264 30 10 DKEE CCCN[C@@H](C#CC(C)(C)C)c1cc2sc(C)cc2s1 2233783828 XPAIHGGPCDPAEI-ZDUSSCGKSA-N 305.512 5.361 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c(C=O)s1 2258988548 PWGCEROVSMIATO-UHFFFAOYSA-N 303.880 5.228 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1C 2264375367 REGJAPHJOASDIT-INIZCTEOSA-N 302.289 6.052 30 10 DKEE CCCCCCCCCOCc1nc(Br)cs1 2303321503 OBNSDSFROAEDHH-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE CCCCCCCCCCC(=O)c1cc(OC)c(Cl)s1 2365831077 TUTCCVUVBLTYML-UHFFFAOYSA-N 316.894 6.124 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccccc1C)[C@@H]1CC=C[C@@H]21 20714630 RTCFHAXKLLFYML-DBXWQHBBSA-N 317.432 5.386 30 10 DKEE Cc1cccn2c([C@@H](C)C#N)c(-c3ccc(C(C)C)cc3)nc12 31915973 OVYNOIOVTWKDCS-HNNXBMFYSA-N 303.409 5.060 30 10 DKEE Cc1ccccc1N/N=C/c1ccc(N(C)c2ccccc2)cc1 59159594 CBUQPSZFAASYAH-CJLVFECKSA-N 315.420 5.209 30 10 DKEE Cc1cc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)sc1C 87567368 UDYCSQTYTGBZAU-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE Cc1ccc(C)c(C(=O)/C=C\Nc2ccc(Cl)cc2Cl)c1 103031005 FMDAPPMLQIPWQU-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE Cc1ccc(N/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 109331869 DGZVMMSPAORNMM-CMDGGOBGSA-N 306.192 5.110 30 10 DKEE CCCCCCCCNc1ccc(OC)c(Br)c1 115124031 FBPLOVQXXBCTSY-UHFFFAOYSA-N 314.267 5.230 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2cc3sccc3s2)cc1C 123599135 UOHNHOFHHSNJML-ZDUSSCGKSA-N 311.431 5.070 30 10 DKEE CCCCCCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 132545786 HTJIBZILPVIELR-UHFFFAOYSA-N 314.260 5.558 30 10 DKEE CCC[C@H](N[C@@H](C)c1ccc(C#N)s1)c1ccc(F)cc1F 135084330 CFVQNQXDTRJLQE-ZBEGNZNMSA-N 320.408 5.090 30 10 DKEE CCCCCCC[C@H](N)c1cccc(Br)c1Cl 158012348 MRDPTFXPJYYTKE-ZDUSSCGKSA-N 318.686 5.463 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Br)c(F)c1 161547922 BQJAPNHQWWHGEY-HNNXBMFYSA-N 317.242 5.372 30 10 DKEE CSc1ccccc1Oc1ccc(C(F)(F)F)c(C#N)c1 164504687 VMKCTQAPEQRRCR-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(Cl)cc1Br 233615356 KZAQMYFGURBLGN-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccsc2Br)C1 389061165 JNEPHIJXKYZADC-FZMZJTMJSA-N 312.276 5.163 30 10 DKEE Cc1ccccc1NN=Cc1ccc(-c2ccc(Cl)cc2)o1 1081111541 CIGOPWWWFUVPAS-UHFFFAOYSA-N 310.784 5.354 30 10 DKEE CCCCCCCCCCNC(=O)c1cnc(C(C)C)s1 1859670934 FBUXRQBFCPORBJ-UHFFFAOYSA-N 310.507 5.137 30 10 DKEE C=CCCCCC[C@H](N)c1c(Br)sc(C)c1C 1951102781 IEPKUDBYPDMKGE-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 1975935088 JCLPAESTSIHXED-CQSZACIVSA-N 317.429 5.127 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(Br)sc1C 2009483245 ZFNCPNLIGJCFIW-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE Cc1cc(Br)cc(Oc2ccc(Cl)cc2C#N)c1 2049634410 HUPJFDGDJURWJF-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCCCn1ccc2cc(Br)ccc21 2085838541 DYPIBANWFWHHTB-UHFFFAOYSA-N 306.247 5.540 30 10 DKEE C=CCCCCCC[C@](C)(N)c1ccccc1Br 2085842126 NSARWAATCWWUCX-INIZCTEOSA-N 310.279 5.150 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1cc(F)c(Cl)cc1Cl 2139003735 SJTDNXSGGWGHGT-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1scnc1Cl 2154632359 HOLIKKZLJQYAMJ-CQSZACIVSA-N 316.942 6.107 30 10 DKEE C=C([C@H](NCCC)c1cc(F)c(F)cc1Cl)C(C)(C)C 2168655735 PJVPWMVDMXPYQE-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(Cl)c(F)c1F 2176959869 RYFNXUZOPTXCKZ-NSHDSACASA-N 301.808 5.261 30 10 DKEE C#CC[C@@H](C)C[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2196718510 HLMWDOWGQDREOJ-IUODEOHRSA-N 304.842 5.151 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SC2CC(C(F)F)C2)C1 2241016429 YSZKRBABMMTIQB-GNKOZFRFSA-N 301.446 5.118 30 10 DKEE C=CCCCC[C@H](O)c1c(C)cccc1NC(=O)OC(C)(C)C 2243566351 OYUGWIIZNDOZID-INIZCTEOSA-N 319.445 5.122 30 10 DKEE C=C(C)CCCCC(=O)c1c(F)cc(Br)cc1F 2259165170 YQFMMCRMKTYLHZ-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE C=C(C)CCCC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2259179126 NFCURGOBCGAFJT-GFCCVEGCSA-N 306.664 5.783 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(C=O)cc1Cl 2278820558 VJEOLTHIOBLBLC-UHFFFAOYSA-N 301.213 5.321 30 10 DKEE C=CCCCCCCCS[C@@H]1CCCC(F)(F)[C@H]1NC 2287194351 TZQUMQLJCLAXLK-CABCVRRESA-N 305.478 5.022 30 10 DKEE CCCN[C@H](C#Cc1ccccc1Cl)c1csc(Cl)c1 2295213902 HQRSGEOMQNYPFK-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE CC[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2324714484 SKVPLPSLHKDYLQ-AWEZNQCLSA-N 322.404 5.097 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2344378429 GFKBYRQUGAKGIU-BONVTDFDSA-N 320.691 5.900 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366410814 CXENZSGNKIIVPA-BZNIZROVSA-N 318.263 5.776 30 10 DKEE COc1ccc2c(c1)CC/C(=C/c1ccc3ccccc3c1)C2=O 15352488 LKPWFNAURUXANK-UYRXBGFRSA-N 314.384 5.061 30 10 DKEE CSc1ccc([C@H](C)Nc2ccc(Cl)c(C#N)c2)cc1 36973075 KVPYUFSFZDOMOC-NSHDSACASA-N 302.830 5.107 30 10 DKEE N#CC[C@H](Sc1ccc(Br)cc1)c1ccccc1 55022654 XQYRQVBTGOVFNB-HNNXBMFYSA-N 318.239 5.196 30 10 DKEE Cc1cc2nc(-c3ccccc3Cl)n(C[C@H](C)C#N)c2cc1C 57801974 HJHQAPIXKFXDFC-GFCCVEGCSA-N 323.827 5.133 30 10 DKEE CC(C)C1CCC(C#N)(Cc2cccc(Br)c2)CC1 87960177 WJFQSAHMVUWOGE-UHFFFAOYSA-N 320.274 5.348 30 10 DKEE O=C1/C(=C2/Cc3ccccc3N2)c2ccc(Cl)c3cccc1c23 102605642 ZXSLICPAUQIWSP-ZPHPHTNESA-N 317.775 5.069 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCCc2sccc21 109900712 KREPBEOZWVHPCP-CQSZACIVSA-N 301.480 5.516 30 10 DKEE CCSc1cccc(Nc2ccc(Cl)cc2F)c1C#N 136639056 YBXWXLBQBKXICU-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1sccc1Cl 162281390 XEWDZNFXZKVWPN-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](n2nc(C)c(Cl)c2C)C1 224759927 IXDMBLSGRSIYCV-ZNMIVQPWSA-N 307.869 5.071 30 10 DKEE C=CCCCCCCN[C@@H](CC)c1ccc(Cl)cc1Cl 380353946 GFVSVEUWMYBWCZ-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE CCCCCCC[C@@H](NCC)c1coc(Br)c1 393573772 KKNMFFUBQPFZKS-CYBMUJFWSA-N 302.256 5.053 30 10 DKEE CCCCCCCCCC[C@H](CCCSC)NCCC 401655347 MUKCSGWRSCWSOA-GOSISDBHSA-N 301.584 6.029 30 10 DKEE CC(C)c1ccc(N=Cc2cccn2-c2ccc(Cl)cc2)cc1 1084237098 UPERXRLWTBGNFC-UHFFFAOYSA-N 322.839 6.005 30 10 DKEE N#Cc1ncc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl 1848373855 FMYAHSCWVZUPAP-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CC(C)=C(CSCC1CC(C)(C)C1)B1OC(C)(C)C(C)(C)O1 1901712994 ZPPCFDRCBCTLEK-UHFFFAOYSA-N 324.339 5.124 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CC1CCCCC1 1918024007 PDLKSZTVHAPQIK-FQEVSTJZSA-N 301.540 5.754 30 10 DKEE C=C(C)CCC(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925623924 QARIVYRYUAPKRC-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE C=C(C(=O)c1cc(Cl)c(C)cc1Br)C(C)(C)C 1947501798 JTHNMHSDMWKXQM-UHFFFAOYSA-N 315.638 5.196 30 10 DKEE C=CCCCC[C@H](O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 1984554503 PVBJYPIEYWGXAD-KRWDZBQOSA-N 319.445 5.122 30 10 DKEE CC(C)c1cccc([C@@H](C)n2nc(C3CCCC3)cc2C#N)c1 2070144904 QUXYRIBAIWHGFD-OAHLLOKOSA-N 307.441 5.145 30 10 DKEE N#C[C@H](c1ccc(Br)cc1F)C1CCCCCC1 2085284921 RPMRHXHLRYVVMR-AWEZNQCLSA-N 310.210 5.166 30 10 DKEE C=CC1(C[C@@H](NCC)c2ccc(Br)c(C)c2)CCC1 2111712414 WWFSEGQMTNOQRW-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1cc(Cl)sc1Cl 2117015830 WVBIQKKEXPAVKZ-FZMZJTMJSA-N 318.269 5.198 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cccc(Br)c2)CC1 2125212981 CDNPRBSFEPPMHN-AWEZNQCLSA-N 321.258 5.404 30 10 DKEE CCc1ccc(C#N)c(Sc2cc(Cl)ccc2Cl)c1 2132313620 WJLGJOOGWGCHEQ-UHFFFAOYSA-N 308.233 5.579 30 10 DKEE C=C[C@@](N)(c1ccccc1)c1cc(Cl)c(Cl)cc1Cl 2136602953 LEIJXAFSARPILC-OAHLLOKOSA-N 312.627 5.035 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Br)ccc1C 2141912872 CNFYBPZDMSVFEX-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc2sc(C)cc2s1 2158325930 ZZOUUVPTJNBAFG-PXAZEXFGSA-N 307.528 5.914 30 10 DKEE CCCCCCCCCC(=O)c1sc(N(C)C)nc1Cl 2163967829 XUNJTSRTQSSNBR-UHFFFAOYSA-N 316.898 5.186 30 10 DKEE CCCCCCCCC[C@H](CC(C)(C)SC)NCCC 2164268351 HPWCHXRCJRTWBA-QGZVFWFLSA-N 301.584 6.027 30 10 DKEE C#CCCCCC(=O)c1ccc(-c2ccccc2Cl)s1 2173468296 DDOKGXPUHZSPOD-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE CC1(C)CCC[C@](C#N)(C(F)(F)[C@H](F)C(F)(F)F)CC1 2175178396 ZZHCKIQBBJFQLM-ONGXEEELSA-N 301.274 5.022 30 10 DKEE C=C([C@@H](Cc1cccc(Cl)c1Cl)NCC)C(C)(C)C 2227499398 BPQXQYPQUQQGSJ-CQSZACIVSA-N 300.273 5.116 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)s1 2235757560 RURYLKASOKDJCS-NSHDSACASA-N 324.232 5.107 30 10 DKEE C=CCCSC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2271582124 NIZRUOGLFRZPDC-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE CO[C@H](CSCC1(CS)CCCCC1)CC(C)(C)C 2271705300 SROQTUPANKBJNI-AWEZNQCLSA-N 304.565 5.051 30 10 DKEE C=C(C)CCCC[C@@H](Cc1c(Cl)cccc1Cl)NC 2271835117 OLJDTHSBKDCELW-ZDUSSCGKSA-N 300.273 5.260 30 10 DKEE C=C[C@H](C)CCN[C@H](C)c1cc2cc(Br)ccc2o1 2273029612 AHASFDMCGRJZOY-NWDGAFQWSA-N 322.246 5.058 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(O)c1cc(Cl)ccc1Cl 2284082385 UXRNCBKYPQDJJF-QGZVFWFLSA-N 311.252 5.197 30 10 DKEE C=CCCCCCCCSc1nc(CC)nc(Cl)c1C 2287066644 CELAJKWOVOIILI-UHFFFAOYSA-N 312.910 5.620 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2287412838 GGPNBDPGZYBBDB-CQSZACIVSA-N 305.771 5.495 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1cccc(Cl)c1Cl 2289881039 KHWJWBMUIUMXCC-INIZCTEOSA-N 310.268 5.228 30 10 DKEE C=CCCCCCC[C@H](OCCCN)c1csc(Cl)c1 2294015843 QVHFAXROYHJUBG-HNNXBMFYSA-N 315.910 5.335 30 10 DKEE CC(C)C[C@@H](CS)CSc1ccc(Cl)cc1Cl 2308062490 PSVZKXDJWIVCFI-JTQLQIEISA-N 309.327 5.678 30 10 DKEE C=CCOc1ccccc1C=CC(=O)c1ccc(C(C)(C)C)cc1 2322681175 MWYVQBYBLPRQBK-UHFFFAOYSA-N 320.432 5.445 30 10 DKEE C=CCCCCCC[C@@H](O)c1c(Cl)cc(F)cc1Cl 2340795429 FZEPLTDRQYGAGM-CQSZACIVSA-N 305.220 5.693 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CC[C@H](C)C(F)F 2364119651 ONPWUMVWFNBVMF-XOBRGWDASA-N 311.482 5.465 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(OC)c(Cl)s1 2365890059 ZZESSPTUBFSAPS-CYBMUJFWSA-N 315.910 5.717 30 10 DKEE Cc1c([C@H](C#N)NC2CCCCCC2)ccc(Cl)c1Cl 2366021177 CEKGZMXVYYMFHQ-HNNXBMFYSA-N 311.256 5.179 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2370485475 FJUZYMXIWFMRLD-MLGOLLRUSA-N 314.300 5.425 30 10 DKEE O=C(/C=C/c1ccccc1)/C(=C\c1ccccc1)c1ccccc1 32168558 HLSUQENPAUVYHA-PYILIBOYSA-N 310.396 5.510 30 10 DKEE N#Cc1cc(Oc2cc(Cl)cc(Cl)c2)nc2ccccc12 68796652 JBCYBIAAQICUNW-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE N#C[C@@]1(Cc2c(Cl)cccc2Cl)CCc2ccccc2C1 87998254 NWOWFFMKYIMWCB-SFHVURJKSA-N 316.231 5.235 30 10 DKEE O=C(/C=C\c1cc2ccccc2o1)/C=C/c1cc2ccccc2o1 103692836 MMUNVSXWKUUIDG-DSOJMZEYSA-N 314.340 5.475 30 10 DKEE CC(C)c1ccccc1Nc1cc(Br)ccc1C#N 123064432 GKWFFLGJAGYNNX-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1cc2ccccc2s1 126444705 ABHJAOWKNHQYRZ-NSHDSACASA-N 312.825 5.599 30 10 DKEE CCCCCCCCCCCC[C@@]1(C(=O)O)CCCS1 128919736 UISHTVNXXQOSPJ-KRWDZBQOSA-N 300.508 5.648 30 10 DKEE CCCCCCCCCC[S@](=O)c1c(N)cccc1Cl 165590976 UVSJZNTXROURNG-HXUWFJFHSA-N 315.910 5.171 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 228393919 KRCDFZZWIUGAQM-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE CCCCCCC[C@H](NCCC)c1scc(C)c1Cl 232935910 JNBUBZXRDGLMPU-AWEZNQCLSA-N 301.927 6.111 30 10 DKEE Cc1cccc(N[C@H](C)c2cc(Cl)ccc2Cl)c1C#N 235249944 AOMGLMUNVXNOMB-LLVKDONJSA-N 305.208 5.347 30 10 DKEE Fc1ccc(C=Nc2ccccc2N=Cc2ccc(F)cc2)cc1 254499438 LPRXTKJECRUIRA-UHFFFAOYSA-N 320.342 5.466 30 10 DKEE CCCCCCCCCCN[C@H](C)CN(C)Cc1ccccc1 309799753 JQVXRXSVIWNSKC-HXUWFJFHSA-N 318.549 5.237 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1cccc(Cl)c1Cl 395643644 MERUKTLOROXKJR-INIZCTEOSA-N 316.272 5.017 30 10 DKEE CCCCCCCCNc1cc(Cl)c(Cl)c(Cl)c1 404313827 SDEIZYKLYXWQMO-UHFFFAOYSA-N 308.680 6.419 30 10 DKEE CCCCCCCCCC(=O)CCCNC(=O)OC(C)(C)C 405649158 SGMFPQXJONYBON-UHFFFAOYSA-N 313.482 5.001 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 686702425 HQAPIWJILMTTNT-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CCCCCCCCCCC[C@H](O)c1cscc1Cl 710452832 QBRJVORMNIVHKX-INIZCTEOSA-N 302.911 6.356 30 10 DKEE N#Cc1c(-c2ccccc2)ccnc1Nc1cccc(Cl)c1 1859834275 LUBXERMPVRSBCQ-UHFFFAOYSA-N 305.768 5.017 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2OCCC)cc1 1874579667 ARQMNNXMPYBAIM-SDNWHVSQSA-N 324.420 5.160 30 10 DKEE CCCCCCCN(C)Cc1cc(Cl)cc(Cl)c1O 1887056947 IJDBIDTUNQZWBX-UHFFFAOYSA-N 304.261 5.101 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@@H](CC)CCCC 1922079916 JPWWJLJDAUKEHB-LEWJYISDSA-N 317.517 5.344 30 10 DKEE C=CC[C@H](C=C)OCc1cc(Cl)c(C)c(Br)c1 2002348575 RUXGWQAOWOKRGX-LBPRGKRZSA-N 315.638 5.058 30 10 DKEE CCCCCCCCCCCCNCC/C=C/Br 2051147952 NPAOAKQARYRJJP-SDNWHVSQSA-N 318.343 5.796 30 10 DKEE Cc1cccc(CC2(C=O)CCC(C)(C)CC2)c1Br 2087880664 XKJOFEAPUICPGP-UHFFFAOYSA-N 323.274 5.086 30 10 DKEE C=CCCCCC[C@H](NC)c1ccc(C)c(Br)c1C 2107885674 CTEAXEYYVCHVBV-INIZCTEOSA-N 324.306 5.463 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H](O)c1ccsc1Cl 2148588124 NLLRPVKFHSALSS-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(F)cc1F 2179377651 XZDCGYNLPFMPSF-MRXNPFEDSA-N 304.808 5.792 30 10 DKEE CCCC#CCC(=O)c1ccc(-c2ccccc2Cl)s1 2203879519 PNRNZFAJFMTVEK-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE CCCCCCCC[C@](C)(N)c1sccc1Br 2217292986 NNRANNIULSREAI-AWEZNQCLSA-N 318.324 5.435 30 10 DKEE Cc1csc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1C 2234256440 RLFZTBVUOPGLPW-JTQLQIEISA-N 324.232 5.162 30 10 DKEE CCCCCCCCCCCCOC(=O)[C@@H](S)C(C)C 2239492945 OIPLDLOLRUBZCU-INIZCTEOSA-N 302.524 5.405 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CCC(F)(F)CC 2283696969 QUUNGDIMWGXAEM-FQEVSTJZSA-N 311.482 5.609 30 10 DKEE Cc1ccc(NC(=CC(=O)c2ccccc2)c2ccccc2)cc1 2297451471 PMGFOBXTODBOKI-UHFFFAOYSA-N 313.400 5.331 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(Br)cc1C 2344378878 NBJJTSYKJAIJAO-INIZCTEOSA-N 324.306 5.401 30 10 DKEE CCCCCCCC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2360489985 TZHXVWDEONLESE-HNNXBMFYSA-N 320.279 6.144 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 2370482967 QDACJGHNGJQQJL-UONOGXRCSA-N 305.771 5.351 30 10 DKEE Clc1cc(Cl)cc(/N=C/c2cccc3ccccc23)c1 575772 HDQPXARLBHQRHY-RGVLZGJSSA-N 300.188 5.897 30 10 DKEE N#Cc1ccc(-c2ccccc2C(F)(F)F)cc1C(F)(F)F 28825060 LVFYAAITUNIVMI-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE in-vivo N#Cc1cc(NCc2ccc(Cl)cc2Cl)ccc1Cl 35224461 DTRVCIQDAFTKSO-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Br)cc2)C1 37156677 KBPXEUQUZIZTRY-SLEUVZQESA-N 324.287 5.260 30 10 DKEE N#Cc1ccc(NCc2c(Cl)ccc(Cl)c2Cl)cc1 37212137 SGRFJLJIIMNLRB-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE N#C[C@H](C(=O)c1cc(Cl)ccc1Cl)c1cccc(Cl)c1 37344636 ZCRSBUSUUVCRRD-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE C=C(C)C#C[C@@](C)(O)[C@@H](C)CSCCCCCCCCC 95786109 VYZBRGJPPSIOLK-RBUKOAKNSA-N 310.547 5.437 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1ccc(Cl)c(Cl)c1 109945319 VKCFXVOQXRDKPF-NSHDSACASA-N 305.208 5.347 30 10 DKEE C[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)c(Cl)c1 109947608 PNMXYWYGLICEKI-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H](CCC)OCC 122505045 VXCVLMFTUMHQBG-RBUKOAKNSA-N 300.527 5.864 30 10 DKEE CCCCCCCCNc1cccc(SCC)c1C(=O)O 137169595 RCBQZEBTNHGQHV-UHFFFAOYSA-N 309.475 5.269 30 10 DKEE CCCCCCCCC[C@@H](CC1CCSCC1)NCCC 139423792 XURRIOJBKPOUIP-IBGZPJMESA-N 313.595 6.029 30 10 DKEE CCCCCCCC[C@H](NC)c1c(Cl)cccc1Cl 159038404 NMJCFCJXOOQMHB-HNNXBMFYSA-N 302.289 6.005 30 10 DKEE Cc1ccc2c(c1)-c1ccccc1C2=Nc1cccc2ccccc12 254313480 TWADIVAHKFPUBO-UHFFFAOYSA-N 319.407 6.298 30 10 DKEE C=CCCCCC[C@@H](N)c1ccccc1OCc1ccccc1 309757618 BYQRSNSVXGPCAT-HXUWFJFHSA-N 309.453 5.402 30 10 DKEE C#CCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCC 686700658 DWASINQHVKPWIV-INIZCTEOSA-N 312.284 5.098 30 10 DKEE CC[C@H](C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698858285 MQKNJMJKOSTUNR-WMLDXEAASA-N 316.445 5.065 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)c2ccsc2Cl)C1 711171376 GVIWBGSBSDUSQJ-LBPRGKRZSA-N 311.878 5.181 30 10 DKEE CCCCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 722130972 ZRVWBSUJFUCVSQ-KRWDZBQOSA-N 316.316 5.875 30 10 DKEE CC/C(=N\OCc1ccc(C)cc1)c1ccc(OC(C)C)cc1 821220881 OKFLAISVRUAMFS-QZQOTICOSA-N 311.425 5.113 30 10 DKEE CCCOc1ccc(C#Cc2ccc(Cl)c(Cl)c2)cc1 1614828287 ZFBXGXWITHSTQG-UHFFFAOYSA-N 305.204 5.182 30 10 DKEE C=C(C)Cn1c(CCc2ccc(Cl)cc2)nc2ccccc21 1873515793 UWQDJCSQEGPFAI-UHFFFAOYSA-N 310.828 5.051 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1ccc(C#N)cc1 1915386355 YVYNMBHTDXNGIM-INIZCTEOSA-N 318.445 5.388 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1cc(Br)c(Cl)s1 1978520486 UJZIBMBVYIFRAM-KWQFWETISA-N 322.699 5.027 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CC2(CCCCCC2)C1 1978751130 SWTOVWFDZBTUTK-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC(C)(CC)CC1 1981061831 ZZOKAYNCPIMZTR-VNCLNFNDSA-N 322.493 5.275 30 10 DKEE C#C[C@H](c1ccccc1)N(Cc1ccccc1)CC1CCCC1 1990746794 CCDCLABFFBSDJK-JOCHJYFZSA-N 303.449 5.053 30 10 DKEE C=CCCCCCC[C@H](N)c1cccc(F)c1Br 2085851178 DIQLMMGMSIIJRS-AWEZNQCLSA-N 314.242 5.115 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc2c(s1)CCSC2 2158321479 UWYTZICIIGVFKY-SUMWQHHRSA-N 309.544 5.180 30 10 DKEE FC(F)(F)[C@@H]1CCCCN1CCCCCCCCCS 2161764503 ODSXLUVHRQDLGE-AWEZNQCLSA-N 311.457 5.064 30 10 DKEE C=CCC(C)(C)OC[C@H](NCC)c1ccc(Cl)c(Cl)c1 2187280709 LSLYSOLIFFPZRI-HNNXBMFYSA-N 316.272 5.015 30 10 DKEE CCC1(OCc2cc(Cl)cc(Cl)c2)CCC(=NO)CC1 2197918633 BKMBXLYYDNTION-UHFFFAOYSA-N 316.228 5.063 30 10 DKEE C#C[C@@H](N[C@@H](C)c1c(Cl)cccc1Cl)C1CCCCC1 2203804007 DUUDOUAFAPHHHQ-BLLLJJGKSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCCNc1ccc(Cl)c(Cl)c1F 2207437744 QWXMPWFDJJZUTA-UHFFFAOYSA-N 318.263 6.461 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1ncc(Cl)s1 2235524466 QJGHGLDVWWJHIA-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1ccc(Br)cc1 2271791944 PYSJLMPUPLGEBI-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE C[C@@H](N=Cc1c2ccccc2cc2ccccc12)c1ccccc1 2313501649 IKKYRENVJRYEJZ-QGZVFWFLSA-N 309.412 6.173 30 10 DKEE CCOc1ccc(C(CC)=NOCc2ccc(Cl)cc2)cc1 2330267447 PJUCXXBGELYBHE-UHFFFAOYSA-N 317.816 5.070 30 10 DKEE Cc1cc(C(=NOCc2cccc(Cl)c2)C2CC2)ccc1F 2330366383 VESVOADFVQPYAQ-UHFFFAOYSA-N 317.791 5.118 30 10 DKEE C=CC1(C[C@@H](NC)c2c(Cl)cc(F)cc2Cl)CCC1 2340790067 PVRSXKAQJYGNKM-CYBMUJFWSA-N 302.220 5.139 30 10 DKEE CCCCCCCC[C@H](N)c1c(Cl)cc(C)cc1Cl 2352812472 IRUBDWCRTNDRQD-HNNXBMFYSA-N 302.289 6.052 30 10 DKEE C[C@@H](CC(C)(C)C#N)OCCCc1cc(Cl)cc(Cl)c1 2366933379 VAOPCDAYTSRIHT-LBPRGKRZSA-N 314.256 5.271 30 10 DKEE Clc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1 59458941 ZOKVZDWESATZED-KGENOOAVSA-N 307.780 5.883 30 10 DKEE CC1(C)CCC[C@@](C#N)(Nc2ccc(Br)cc2)CC1 86914101 ISGMKVWQHPBXHE-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CC(C)(C)c1cc(/C=N\Cc2ccccc2)cc(C(C)(C)C)c1O 102399802 YJGNHHONRCRXHN-HAHDFKILSA-N 323.480 5.606 30 10 DKEE C=CCSc1ccccc1N[C@H](CC)c1ccc(Cl)cc1 109900999 NHJMBDORVKKRHO-MRXNPFEDSA-N 317.885 6.181 30 10 DKEE CCCCCCCCCC[C@H](O)CSc1cccc(F)c1 116702502 VVCLRQXZMNOLEB-KRWDZBQOSA-N 312.494 5.810 30 10 DKEE CCCCCCC[C@H](Cc1csc2ccccc12)NCC 132975827 BEADEOGKPAOSSR-QGZVFWFLSA-N 303.515 5.782 30 10 DKEE COc1ccc(S[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)cc1 222251465 YNZFRVOSMZLQCH-KEYYUXOJSA-N 303.471 5.142 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1CS[C@H](C)[C@H](C)S1 300162275 GTZBYGKXPVLOPW-QZWWFDLISA-N 317.608 5.470 30 10 DKEE CC(C)(C#N)CCCNc1ccccc1OCc1ccccc1 309865840 FKMCBLYAQFAACA-UHFFFAOYSA-N 308.425 5.007 30 10 DKEE C=CCC(C)(C)CN[C@H](Cc1cccs1)c1cccs1 312499557 WLGHHECKAMAORT-OAHLLOKOSA-N 305.512 5.285 30 10 DKEE C/C=C/CC/N=C\c1cc(Cl)ccc1NC(=O)OC(C)(C)C 383695610 BCTTWRVOCFROTR-KLPIASCASA-N 322.836 5.072 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 384043866 NKCZYKJRIXSCST-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE C#CCCCCCNc1cc(Cl)c(C)cc1Br 686676935 SMIFCVONDNPALQ-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE CCC(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698872389 YRQHKDVVKIUHRC-INIZCTEOSA-N 316.445 5.065 30 10 DKEE CCCCCCCOC[C@H](NC)c1cc(Cl)ccc1Cl 709515020 GNMBIHWEUSQERQ-INIZCTEOSA-N 318.288 5.241 30 10 DKEE C=CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 710715609 DHMHXUGXURQHBP-IBGZPJMESA-N 320.477 5.195 30 10 DKEE Fc1cccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 1848368148 QFKCYOPHJJGIKY-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CC(C)=C(CS[C@H]1CCC[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 1901708214 ISTVAYJUPYLSJK-CABCVRRESA-N 324.339 5.266 30 10 DKEE CCCCCCC[C@@H](C)Nc1cscc1Br 1926848237 KTSBBTNDVJTUAI-LLVKDONJSA-N 304.297 5.672 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(Br)c(C)s1 2009482178 OYIOJDUUCLPFOX-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CC1(C)CC[C@@H]([C@H](C#N)c2ccc(F)cc2Br)C1 2065479566 JJEJIMROYRMWHO-MFKMUULPSA-N 310.210 5.022 30 10 DKEE Cc1cccc(CC2(C#N)CCC3(CC2)CC3)c1Br 2120090986 JFCLGHPXANQPRK-UHFFFAOYSA-N 318.258 5.164 30 10 DKEE CCCCCCCCCCCC[C@](C)(N)CSCCC 2144748393 ZDDSQOPMGNZBCK-SFHVURJKSA-N 301.584 6.158 30 10 DKEE CCC[C@H](C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C(C)C 2144872968 KRTMKNVLUNYKKM-JSGCOSHPSA-N 312.240 5.242 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Cl)cc(F)c1F 2158322698 DRVZICBEVUEDEI-ZBEGNZNMSA-N 301.808 5.261 30 10 DKEE C=C(C)C[C@H](NCC)c1ccc(-c2ccccc2Cl)s1 2164105361 REPVFWQRZGBYTM-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CCCC[C@@](C#N)(CC)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2164478612 XDTJCRHZMOFRDR-CQSZACIVSA-N 315.200 5.263 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1ccc(Cl)cc1Cl 2173630925 ZBYZGSCDSBLYER-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE CCCCCCCCC[C@H](CCP(C)(C)=O)NCCC 2177192825 DLGXPGFTBCIDFD-QGZVFWFLSA-N 303.471 5.508 30 10 DKEE C=CC[C@](C)(NCc1ccc(-c2cccs2)s1)C(F)F 2205877710 VVONCTHRKCAAIU-HNNXBMFYSA-N 313.438 5.166 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cccc(Cl)c1Cl 2206896213 BKMFSYUEQXJTJI-INIZCTEOSA-N 314.300 6.171 30 10 DKEE CCCCCCC[C@@H](O)c1c(F)cc(F)cc1Br 2218592267 ALMLZHHORIAVOR-CYBMUJFWSA-N 321.205 5.121 30 10 DKEE CCCCCCCCCCCCOC(=O)[C@H](C)[C@@H](C)S 2239493590 UNZMXGBNTFBKKH-HZPDHXFCSA-N 302.524 5.405 30 10 DKEE CCCCCCCCCCCCOC(=O)[C@@H](C)[C@@H](C)S 2239493591 UNZMXGBNTFBKKH-JKSUJKDBSA-N 302.524 5.405 30 10 DKEE CCCCCCCC[C@@](C)(O)c1nc(C(F)(F)F)cs1 2240627341 HNZFEQCOAIWZNC-CYBMUJFWSA-N 309.397 5.120 30 10 DKEE CCCCCCCC[C@@](C)(N)Cc1cccc(Cl)c1Cl 2240629559 UPQNBIJBMRFUEH-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@H](N)c1cc(Cl)sc1C 2240639407 FDIIXNJZNWVTKB-HZPDHXFCSA-N 317.926 5.211 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H]1CS[C@@H](C(F)(F)F)C1 2240665516 DGQIHGZTTUKBTH-MELADBBJSA-N 311.457 5.152 30 10 DKEE CC(C)(C)CN(CCCCCCCS)Cc1ccccc1 2242389948 FYVJYHKNWOVAOC-UHFFFAOYSA-N 307.547 5.415 30 10 DKEE CCCCCCCOc1c(Cl)cc(CNC)cc1Cl 2278769767 SXBPLJFGGJTNNE-UHFFFAOYSA-N 304.261 5.062 30 10 DKEE C=CCCCCCCCSc1ccsc1CNC1CC1 2287064231 YPOICDSTVBZBJA-UHFFFAOYSA-N 309.544 5.619 30 10 DKEE C=CCCCCCCCSc1nccc(C(=O)O)c1Cl 2287090444 QNNMAZWJOQQPSV-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE CCC(=O)C=Cc1ccc(-c2ccc(C)cc2Br)o1 2296515300 SJUUTPIYSPDXJK-UHFFFAOYSA-N 319.198 5.010 30 10 DKEE Cc1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)c(Cl)c1 2296875949 NOYDZOXQFHGMKU-UHFFFAOYSA-N 313.828 5.580 30 10 DKEE CCOc1ccc(Cl)cc1C=CC(=O)c1ccc(F)c(C)c1 2322634772 HREARRIFEKRRHQ-UHFFFAOYSA-N 318.775 5.082 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2ccc(CC)cc2)c1 2323065037 WKDISGFVXZWPCF-UHFFFAOYSA-N 306.405 5.100 30 10 DKEE CCCCCCCCC[C@H](O)c1c(Cl)sc(Cl)c1C 2336084586 VLHQHIQDHDQYRG-LBPRGKRZSA-N 323.329 6.537 30 10 DKEE COc1c(Cl)cc(CC(=O)C=C2CCCCC2)cc1Cl 2365660835 LXPSHAIICYNOCM-UHFFFAOYSA-N 313.224 5.004 30 10 DKEE CCCCC#CC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2366804931 AARKVMRALLTJQV-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE SCC1(CSc2ncccc2Cl)CCCCCC1 94589695 ZKSNAKKWFQAIER-UHFFFAOYSA-N 301.908 5.098 30 10 DKEE CCCCCCCNCc1cccc(OCCCCCCC)c1 100126122 JSIGAGVPKMLUTB-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE CCCCCCCOc1ccc2ccccc2c1CNC(C)C 100127151 NVHJVLBPETUZJC-UHFFFAOYSA-N 313.485 5.687 30 10 DKEE CCCCCCC[C@H](CNC)c1cccc(Br)c1 118659685 VCEKBOINTNUIMZ-OAHLLOKOSA-N 312.295 5.113 30 10 DKEE N#Cc1ccc(Cl)c(NC2CC(c3ccccc3Cl)C2)c1 127731141 JDLLULHGVAVAGP-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CCCCCCCCCCNc1ccc(C(=O)O)cc1Cl 129476840 CLRLTYGYPXYTHY-UHFFFAOYSA-N 311.853 5.591 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1snnc1CCC 143408190 DWTXMEKGMDLXNY-OAHLLOKOSA-N 311.539 5.282 30 10 DKEE Clc1ccc(CN=C(c2ccccc2)c2ccccc2)cc1 144123083 XACBROIKVDKLFN-UHFFFAOYSA-N 305.808 5.378 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc2sccc2s1 158049638 FECXYZPNYXIUFN-AWEZNQCLSA-N 309.544 6.364 30 10 DKEE CCCCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NC 166965658 CXSHIQAGJIOPHQ-INIZCTEOSA-N 316.316 5.875 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(Cl)cc1Br 233162181 NKPQAQTVVKGLRD-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CSc1nc2ccc(N=Cc3cccc(Cl)c3)cc2s1 252590639 AUATUVRJLKKLCB-UHFFFAOYSA-N 318.854 5.422 30 10 DKEE N#Cc1c(F)cccc1Nc1ccc(OCc2ccccc2)cc1 310201021 SHFBVDAPNDGBMX-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CCCCCCCCOCCc1c(C)nc(Cl)nc1Cl 312365742 PBEKBFXRVXPKHS-UHFFFAOYSA-N 319.276 5.011 30 10 DKEE CCc1csc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)n1 382970391 RDNAMAJJHHYLRC-MBNYWOFBSA-N 308.516 5.152 30 10 DKEE C=CCCCCC[C@@H](N)c1cccc(NC(=O)OC(C)(C)C)c1 406264284 XYUXGXQTFGHLAM-QGZVFWFLSA-N 318.461 5.170 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](C(C)C)C1 698375887 KHGUGCAQADFZSE-FRQCXROJSA-N 322.493 5.131 30 10 DKEE CC[C@H](Nc1nccc(-c2ccccc2)c1C#N)c1ccccc1 1859803291 URKYYKMRXVGGEP-FQEVSTJZSA-N 313.404 5.183 30 10 DKEE C=CCCCCC[C@H](O)c1cscc1OCc1ccccc1 1934839652 QAYFWPCKFNMSSN-SFHVURJKSA-N 316.466 5.497 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1csc(C(C)(C)C)n1 1961222006 BMZOXAZJSSKUSE-UHFFFAOYSA-N 314.498 5.019 30 10 DKEE CCCCCCCCNc1cccnc1NC(=O)OC(C)(C)C 1979000315 PNTAJVWRWDAJGY-UHFFFAOYSA-N 321.465 5.201 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC12CCCCC2 1979316532 BACSXNUKGWBSDQ-IBGZPJMESA-N 320.477 5.030 30 10 DKEE CCC1(C)CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 1984404251 ZATKRJFCYXDWSO-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C=CCCCC[C@@H](NCCC)C1CC(OCc2ccccc2)C1 1984519811 RXFYWDDRIQWQSN-XVAXZDLZSA-N 315.501 5.096 30 10 DKEE CCCCCCCCCN(CCCCOC)Cc1ccccc1 1990778886 NHKZCMBABQBGKT-UHFFFAOYSA-N 319.533 5.666 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(Br)cc1Cl 2007990708 MLMVUEHTRIGUQW-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(Cl)cc(Br)c2)CC1 2010610944 ZYBXCRGGHSIYGA-VIFPVBQESA-N 313.622 5.032 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1ccccc1Br 2141908099 LCFVYXPZOFYMSC-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H](O)c1cscc1Cl 2148579761 TVDMMFOXKJVNMY-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE C[C@H]1C[C@](C#N)(Nc2ccccc2Cl)c2ccsc2S1 2152750595 SSLGNJDEAKJYSO-ZUZCIYMTSA-N 320.870 5.117 30 10 DKEE C=C([C@H](N)c1ccc(-c2ccc(Cl)cc2)s1)C(F)(F)F 2164007346 XKKCYURMGYFSAF-ZDUSSCGKSA-N 317.763 5.187 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc(-c2cccc(Cl)c2)s1 2164066021 ASSFFZCJUHKWLC-GFCCVEGCSA-N 304.842 5.854 30 10 DKEE CN(CCCCCCCCCS)CC1(F)CCCCC1 2165894378 QOCDVFGKTMVCEW-UHFFFAOYSA-N 303.531 5.251 30 10 DKEE CC#CCCCC(=O)c1ccc(-c2cccc(Cl)c2)s1 2194071015 DLZSMDKLPLVFGY-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE C=C1CCC(C[C@](C)(O)c2ccc(C(F)(F)F)s2)CC1 2196504242 OXOQUAVCCPSDCK-AWEZNQCLSA-N 304.377 5.111 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 2203958751 WEDJKLMUOBRFBW-AWEZNQCLSA-N 324.594 5.137 30 10 DKEE CCCCCCC[C@@H](O)c1c(C)sc(Br)c1C 2213641145 MYUWDQPZNUCXLY-GFCCVEGCSA-N 319.308 5.521 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2224370769 MICZGMDLCADYEQ-AWEZNQCLSA-N 320.691 6.044 30 10 DKEE CCCCC#CC[C@H](Cc1cc(Cl)ccc1Cl)NCC 2234028136 QIXBVRLXQDQSKQ-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE CC(C)(C)C#CCN[C@@H](c1cccs1)c1ccc(Cl)s1 2239116546 RNFITTDWZHWOCL-HNNXBMFYSA-N 323.914 5.192 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(OCc2ccccc2)cc1 2244626986 NCKDUALLPFYIAZ-UHFFFAOYSA-N 308.421 5.585 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CC(C)(C)CCC1(C)C 2245434569 CUEXRNDNUQPSJQ-IBGZPJMESA-N 322.493 5.132 30 10 DKEE N#Cc1cc(Br)ccc1CSCC1=CCCCC1 2255129637 NWLCOTNHNARTSF-UHFFFAOYSA-N 322.271 5.054 30 10 DKEE Cc1cc(Nc2ccc(C#N)cc2Cl)c(Cl)cc1Cl 2277453868 IQOIDGHMJHGERR-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CC1(CSCCCCCCCS)CC(C(F)(F)F)C1 2277509905 YWWBCFNSPZLUSN-UHFFFAOYSA-N 314.482 5.579 30 10 DKEE C=CCCS[C@@H]1CCCCCCC(F)(F)[C@H]1NCCC 2287197586 CCXKRJBGJXVZFX-CABCVRRESA-N 305.478 5.022 30 10 DKEE CCCCCCCCC[C@](C)(O)c1nccc(Cl)c1F 2295581295 OYWYIPWAGXZQMF-INIZCTEOSA-N 301.833 5.222 30 10 DKEE O=C1C(=Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C1CCCC1 2297334155 IJIZPDDJBJFYIT-MRXNPFEDSA-N 308.343 5.258 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(OCc2ccccc2)cc1 2304042076 SXPQWDAAUYOIOJ-VXKWHMMOSA-N 323.480 5.519 30 10 DKEE CC(C)(C)c1ccc(C=C2Oc3ccc(Cl)cc3C2=O)cc1 2314519512 RGSTVSWKXJOTEZ-UHFFFAOYSA-N 312.796 5.254 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1SCc1ccc(Br)cc1 2318735883 ZEUUTVXNDKRTOQ-ZFWWWQNUSA-N 324.287 5.155 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](SCc2ccc(Br)cc2)C1 2318738809 ZTBAIWACZVAPRA-UXIGCNINSA-N 324.287 5.011 30 10 DKEE C=CC[C@H](C)SC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2335202006 YMFUWJVWWXJIPT-NHYWBVRUSA-N 318.313 5.342 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1cc(F)c(Cl)cc1Cl 2377430111 UBPLDPKROQFDRN-HUUCEWRRSA-N 318.219 5.276 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 14464846 NLYKBTGKQORCRM-TXPKVOOTSA-N 306.796 5.038 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Sc1ccccc1Br 37156626 NOZMOLWZPSXNMX-WCQYABFASA-N 310.260 5.014 30 10 DKEE C=CCOc1ccccc1CNc1ccc(Cl)c(Cl)c1 37200349 QHKLIAILRZCJNI-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(C)c1C 83193534 INSCJJJRQZESKP-YRNVUSSQSA-N 312.384 5.127 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H](OC)C(C)(C)C 123510712 QMHMHTRAKULLBE-ROUUACIJSA-N 300.527 5.719 30 10 DKEE CCCCCCCCCCNc1cc(C(F)(F)F)ccn1 129416413 JKYKVNNINKMBEP-UHFFFAOYSA-N 302.384 5.653 30 10 DKEE CCCCCCCCCC(=O)N1C(=S)SC[C@@H]1C(C)C 217850059 BDADQHOZUWFPMX-CQSZACIVSA-N 315.548 5.012 30 10 DKEE CCCCCCCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 232940695 KGLRXIRFZPQPIJ-UHFFFAOYSA-N 319.232 5.674 30 10 DKEE C=CCCCCC[C@@H](CSc1ccc(Cl)cc1)NCC 233536779 BSBZZYSBFAQJPD-INIZCTEOSA-N 311.922 5.547 30 10 DKEE C=CCNc1nc(C)cc(Nc2c(C(C)C)cccc2C(C)C)n1 242898292 GPZLDPJQPKMVRD-UHFFFAOYSA-N 324.472 5.373 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1Cl 313691234 QZXAXBBFKIFMMK-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 398155907 GIDKGYGZYOFRMD-QWRGUYRKSA-N 320.691 6.042 30 10 DKEE C=CCCCC(=O)c1cc(CC)ccc1NC(=O)OC(C)(C)C 405845130 UESIVRKZXZSNGT-UHFFFAOYSA-N 317.429 5.135 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1 642882784 MQLWVBSVJPJQAZ-TWGQIWQCSA-N 310.702 5.255 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)cc(F)c1F 691249356 AKXCBWAQUDZFCX-OAHLLOKOSA-N 303.824 5.759 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc2cscc2s1 703713382 NLGZMFWXDAIJBC-AWEZNQCLSA-N 310.532 5.608 30 10 DKEE C=CCCC(C)(C)CN[C@H](CC)c1ccc(Cl)c(Cl)c1 704039427 KJTNQCFIAMTRLH-MRXNPFEDSA-N 314.300 6.027 30 10 DKEE C=C1CCC(CNc2ccc(Cl)c(C(F)(F)F)c2)CC1 724566555 OPSFBSYPOGNNDR-UHFFFAOYSA-N 303.755 5.517 30 10 DKEE CCCCCCCCCSc1nc(-c2cccnc2)cs1 1860811510 DMKPZHAZWHSJJL-UHFFFAOYSA-N 320.527 6.048 30 10 DKEE C[C@@H](CCS)CCSCc1cccc(Br)c1 1902050054 AICAMUVJJQSIIN-NSHDSACASA-N 319.333 5.028 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@H](CO)C1CC1 1915280717 HSVSTRLFTZEEIK-OAQYLSRUSA-N 317.517 5.010 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)[C@@H](C)CC)C1 1935534090 MZLUOCKBDBMFQO-ZSXPUABSSA-N 312.501 5.396 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1scc(C)c1Br 1950858075 FJVVSTKVJMNWOX-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE CC[C@](C#N)(Cc1cc(Br)ccc1Cl)C(C)C 2012416972 PFHFJAUFRGMQKD-CQSZACIVSA-N 314.654 5.221 30 10 DKEE C=CCCCCCCC(=O)c1cc(Br)c(C)s1 2026019101 HZGTVCJNSDAOCA-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE O=C(CC#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2038533250 LAUAQOHLSFRNLG-UHFFFAOYSA-N 301.238 5.211 30 10 DKEE C=C([C@H](NC)c1c(Cl)ccc(Cl)c1Cl)[Si](C)(C)C 2045674961 FBLOPRQZBFTXMB-ZDUSSCGKSA-N 322.739 5.341 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1cc(Br)ccc1C 2045964346 DXKVMJOUBFPVJI-INIZCTEOSA-N 311.263 5.086 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Br)ccc1F 2085840450 YHGIUZSXAKWZEV-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=C(C)CCCN[C@@H](c1cccs1)c1ccc(Cl)s1 2088207526 SHUVSDMRMWXYJI-HNNXBMFYSA-N 311.903 5.498 30 10 DKEE CC[C@@H]1CCC[C@@H](Nc2cccc(Br)c2C#N)CC1 2103209305 UQICSEGNTCHRRT-CHWSQXEVSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(F)cc1Cl 2139457160 ZMXYXSGZBDHADT-UHFFFAOYSA-N 305.220 6.066 30 10 DKEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1ccsc1Cl 2147439198 WKVYIXJDTHMJOT-CABCVRRESA-N 317.926 5.164 30 10 DKEE CCCCCCCCCC[C@H](CCCCSC)NCC 2172972607 AVWAFAVVTDWOHZ-GOSISDBHSA-N 301.584 6.029 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 2181558069 BFRFDKJIXBVUCR-SNVBAGLBSA-N 312.240 5.141 30 10 DKEE C=CCCCCCCC(=O)c1cc(-c2cccs2)cs1 2206891331 KOUFSOLMGNOCFI-UHFFFAOYSA-N 304.480 6.186 30 10 DKEE C=CCCCCCCCNCCc1cccc(Br)c1 2227283006 DBPBSTQWBUPHSJ-UHFFFAOYSA-N 324.306 5.108 30 10 DKEE Cc1cccc(Oc2ccc(C#N)c(Cl)c2)c1Br 2263820417 DWUOXZJHMYCCGV-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 2271784350 DPYIIZHBNCQEGR-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE C[C@@H](NCC=CC#CC(C)(C)C)c1ccc(Cl)cc1Cl 2284184661 HRKALBZLUWHNCY-CYBMUJFWSA-N 310.268 5.250 30 10 DKEE CC(=O)C=C(C)Nc1cc(C)c2[nH]c(-c3ccccc3)cc2c1 2297484301 BECJLSVYGPYISG-UHFFFAOYSA-N 304.393 5.048 30 10 DKEE CC(=CC(C)(C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N 2309745738 SNNDFRFZUMQELS-AWEZNQCLSA-N 316.470 5.012 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(Cl)sc1Cl 2315466450 WIPSRLACMNNQTC-UMNHJUIQSA-N 304.286 5.450 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cc(C)c(Br)c(C)c1 2321126384 ADLXXJPZLSUIPA-HZPDHXFCSA-N 310.279 5.058 30 10 DKEE CCCOc1ccc(Cl)cc1C=CC(=O)c1ccccc1 2322545817 DFDHNCGFECYBEC-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](CC)c1cccc(Br)c1 2337066909 CMIOZMLOAYCGNF-IAOVAPTHSA-N 322.290 5.235 30 10 DKEE CC(C)(C#N)CCOc1ccc(Br)cc1C(C)(C)C 2341062591 YZRMLPSXZCIDRT-UHFFFAOYSA-N 324.262 5.065 30 10 DKEE C=C(C)C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2341921228 DDMLZCRJPVYZFR-CYBMUJFWSA-N 302.245 5.009 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCCC)c1cc(F)cc(Cl)c1 2360209101 YEAAUFIOOQWPKL-BLLLJJGKSA-N 315.885 5.218 30 10 DKEE Cc1c(CC2(C=O)CCC(F)(F)CC2)ccc(Cl)c1Cl 2364019281 UGGGBDFFAQFXEH-UHFFFAOYSA-N 321.194 5.239 30 10 DKEE Cc1c(C(=O)C2=CC[C@@H](C(C)C)CC2)ccc(Cl)c1Cl 2364435595 BUXXJTIOTZGNGS-GFCCVEGCSA-N 311.252 5.867 30 10 DKEE O=C(CC#CC1CCCCC1)c1c(Cl)cc(F)cc1Cl 2366407803 YGHVLIFHBJXKAH-UHFFFAOYSA-N 313.199 5.289 30 10 DKEE CCc1c(C)sc2nc(-c3ccc(C(C)C)cc3)c(CC#N)n12 36256689 OXRIENHPOZEFGN-UHFFFAOYSA-N 323.465 5.123 30 10 DKEE CCN(CC)c1ccc(/C=N/c2cccc(Cl)c2C)cc1 59513952 TZUYRAZFZDSWQQ-DEDYPNTBSA-N 300.833 5.245 30 10 DKEE Cc1cc(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)sc1C 87567333 DJSBGEHABLFXEN-SNVBAGLBSA-N 324.232 5.162 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)cc2Cl)CCCc2ccccc21 87930038 BQXVFEZBRNKSRO-GOSISDBHSA-N 316.231 5.334 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(Br)cs2)C1 87973060 IBERIYXDOXPXJM-FZMZJTMJSA-N 312.276 5.163 30 10 DKEE C[C@H](CCS)CCOc1c(Cl)cc(Cl)cc1Cl 94582305 GLKZTVIIYLSRHA-QMMMGPOBSA-N 313.677 5.372 30 10 DKEE CCCC(CS)(CCC)CSc1cc2ccccc2[nH]1 94631073 XMKYJOGESAXGFY-UHFFFAOYSA-N 307.528 5.776 30 10 DKEE CCCCCCCC[C@H](c1ccn(C)c1)n1nnc2ccccc21 102997083 JHPOJNJRTIWUNQ-LJQANCHMSA-N 324.472 5.110 30 10 DKEE CCCCCCCCCCCCN[C@@H](C)c1ccc(C)s1 110166329 KWXJBRBHHBHXGC-SFHVURJKSA-N 309.563 6.628 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CSCC(C)C 115645325 LYBNAHJNEMTIAJ-GOSISDBHSA-N 302.568 6.048 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1c(Cl)cnn1CC 126405399 ZZFNNXLYXRQBCB-MRXNPFEDSA-N 313.917 5.348 30 10 DKEE CCCCCCCCCCC(=O)c1cc(Cl)ccc1Cl 165081879 XOTUZYAYXCDYJX-UHFFFAOYSA-N 315.284 6.707 30 10 DKEE CC(C)c1cccc(Nc2ccc(C#N)cc2Br)c1 213334983 ICZWAOVXASQIKA-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CCCCCCCCC(=O)c1cc(Br)ccc1F 229258861 UVOIQARYVNHKGG-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE CSc1ccc([C@H](C)Nc2ccc(C#N)cc2Cl)cc1 235090416 SWPHEGMUUBBUCL-NSHDSACASA-N 302.830 5.107 30 10 DKEE CCCCCCCN[C@@H](C)c1ccc(F)c(Br)c1 703770102 GVGNEPYSJDGVAR-LBPRGKRZSA-N 316.258 5.209 30 10 DKEE FC(F)Oc1cc2sccc2c(C(F)F)c1C(F)(F)F 725292980 XOYWBJIVSVKDBD-UHFFFAOYSA-N 318.213 5.459 30 10 DKEE CSc1ccc2sc(CC#N)c(SC(F)(F)F)c2c1 725318497 MWPIBNXNYXLODN-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CC(C)(C)c1ccc(/C(=N/OCc2ccccc2)C2CC2)cc1 821228766 HBVYFGXHQJHGED-LSDHQDQOSA-N 307.437 5.315 30 10 DKEE CCCCCCCCNC(=O)c1ccc(CSC(C)C)o1 1859778767 KNGOABJPHFWPGN-UHFFFAOYSA-N 311.491 5.012 30 10 DKEE C=C(C)CSc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1860798625 CJOCDVFBBFTWSF-UHFFFAOYSA-N 323.486 6.145 30 10 DKEE CC(C)c1ccc([C@@H](C(=O)Nc2cccc(C#N)c2)C(C)C)cc1 1868179289 QPKWLFFKFZOBFM-FQEVSTJZSA-N 320.436 5.060 30 10 DKEE C=C(COCc1ccccc1)C(=O)C(CC)(CC)c1ccccc1 1922050665 AGCFLZYTRHSRCY-UHFFFAOYSA-N 322.448 5.087 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)sc1Cl)[Si](C)(C)C 1922869648 PLPAZEXWBTYANK-LBPRGKRZSA-N 322.377 5.529 30 10 DKEE C#CCCCC[C@H](NCC)c1cccc(OCc2ccccc2)c1 2005477985 GXDJEIMDRPOVIP-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE C=C1CCC(COc2ccc(Br)cc2CC)CC1 2076806148 HAKKSAGUXMWFBM-UHFFFAOYSA-N 309.247 5.137 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1ccc(C)c(Br)c1 2105781518 XDMASGCPHRUZAQ-CQSZACIVSA-N 324.306 5.401 30 10 DKEE C=CC1(C[C@H](NCC)c2ccc(C)c(Br)c2)CCC1 2111717976 HTWBOZWWWSGXEQ-INIZCTEOSA-N 322.290 5.155 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(F)cc1Cl 2139428507 IULXAGHRCOIZSK-HNNXBMFYSA-N 306.252 5.883 30 10 DKEE CCCCCCCCCCNCc1ncc(Cl)cc1Cl 2163405338 YXGANWWOUJJKKL-UHFFFAOYSA-N 317.304 5.619 30 10 DKEE C=C(C)C[C@@H](NCC)c1ccc(-c2ccccc2Cl)s1 2164105362 REPVFWQRZGBYTM-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE CCc1cc(Oc2cc(Cl)c(F)cc2C#N)ccc1Cl 2184422092 CAGYWTZUANIUAB-UHFFFAOYSA-N 310.155 5.359 30 10 DKEE CCCC#CC[C@H](NCC)c1ccc(-c2cccs2)s1 2205877368 RYILDSZCKRWYLJ-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE CCCCCCCCOCc1cscc1Br 2211136175 PIVSSHKOPXQKMP-UHFFFAOYSA-N 305.281 5.388 30 10 DKEE CCCC#C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 2213339129 IMTUNFVDYZNVHL-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=CC[C@H](CC)NCc1c(Br)sc2ccccc12 2217905213 LTZZSHREKWHTBK-NSHDSACASA-N 324.287 5.108 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967856 UQWFPYKTYIIGHR-SUMWQHHRSA-N 324.306 5.435 30 10 DKEE C=C(Cl)C[C@](C)(CCCCCCCCC)OCC(=O)O 2295674192 OQKGFJCNGZDILS-INIZCTEOSA-N 304.858 5.130 30 10 DKEE CC1(C)OB(C=C(C2CCCCC2)C2CCCCC2)OC1(C)C 2300809306 LGFLLIBTGQQOLB-UHFFFAOYSA-N 318.310 5.705 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1sc(Br)c(C)c1C 2304055240 JFTGNYQSOUVHJB-TZMCWYRMSA-N 316.308 5.120 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1sc(Br)c(C)c1C 2304124314 CNBKFVAAHFJXLH-TZMCWYRMSA-N 317.292 5.153 30 10 DKEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2319247134 SSHKIODGSAOJPA-IINYFYTJSA-N 304.648 5.264 30 10 DKEE CSc1ccc(C(=NOCc2ccccc2C)C2CC2)cc1 2330389994 JQYIUVGNBGAHGY-UHFFFAOYSA-N 311.450 5.048 30 10 DKEE CCCCCCC=CCCCCCCCc1cc(O)cc(O)c1 2333314796 TUGAUFMQYWZJAB-UHFFFAOYSA-N 318.501 6.508 30 10 DKEE C=CCC(CC=C)SC[C@@H](NC)c1cc(C)cc(Cl)c1 2360206316 WFHUXFOISJRPMY-QGZVFWFLSA-N 309.906 5.163 30 10 DKEE C[C@H](CC(C)(C)C#N)OCCCc1cc(Cl)cc(Cl)c1 2366933378 VAOPCDAYTSRIHT-GFCCVEGCSA-N 314.256 5.271 30 10 DKEE Cc1c(F)ccc(COCC2(CS)CC(C)(C)C2)c1Cl 2371147036 LZGKJDREDLHRJN-UHFFFAOYSA-N 316.869 5.040 30 10 DKEE Cc1ccc([C@@H](C#N)c2cc(C)nc3ccc(Cl)cc23)cc1 39288546 NMZVAJKHTPQKIA-GOSISDBHSA-N 306.796 5.161 30 10 DKEE CC(C)(C)[C@H](CS)COc1ccc(Cl)c2ccccc12 94584846 FEQGTBNVJXLHNZ-LBPRGKRZSA-N 308.874 5.464 30 10 DKEE Cc1ccc(/N=C/c2ccc(Sc3ccccc3)o2)cc1C 100102161 HXRWZSOVISIDJC-DEDYPNTBSA-N 307.418 5.798 30 10 DKEE CCCCCCCCCC[C@@H](Cc1ccccc1)NC(C)=O 100300970 WIJWMFZTHDEVML-FQEVSTJZSA-N 303.490 5.265 30 10 DKEE CCCCCCCC[C@H](Cc1cccc(Cl)c1)NCCC 109721311 MWBZDMJUHFNZDI-LJQANCHMSA-N 309.925 6.001 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1ccccc1SC(F)F 110252040 MQOOZNADHYUXJK-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE Cc1cc(Cl)c(NC[C@H](C#N)c2ccccc2)cc1Cl 128196698 GGERGEVXKODKBR-ZDUSSCGKSA-N 305.208 5.021 30 10 DKEE CCSc1cccc(Nc2cc(Cl)ccc2OC)c1C#N 136609006 KEQFRWPDVJIXAH-UHFFFAOYSA-N 318.829 5.076 30 10 DKEE CCSc1cccc(Oc2cc(C)ccc2Cl)c1C#N 136712071 GAQLELZGWWJSKE-UHFFFAOYSA-N 303.814 5.424 30 10 DKEE CC(C)CC(C#N)(CC(C)C)Nc1ccc(Br)cc1 165898989 PDTOHVHPKJHLKV-UHFFFAOYSA-N 323.278 5.216 30 10 DKEE N#CCc1c[nH]c2ccc(-c3cccc(C(F)(F)F)c3)c(F)c12 514263840 QVIODRLOEPAZTR-UHFFFAOYSA-N 318.273 5.059 30 10 DKEE CC[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698849092 BTCCJFFJKYHNRB-SWLSCSKDSA-N 322.836 5.020 30 10 DKEE CCCCCCCCC[C@H](N)c1c(F)ccc(F)c1Cl 707874716 AXLVAWSGWGAUEO-AWEZNQCLSA-N 303.824 5.759 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc(Br)ccc2C)CC1 724549141 LOIPPMFHOQISKS-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE N#CCc1cc(Cl)c2c(SC(F)(F)F)csc2c1 725286535 ZEVSQNBEXHSUNT-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE CCCC1CCC(C#N)(Cc2cc(Cl)sc2Cl)CC1 1883073626 IKHLVHJUZCKIJV-UHFFFAOYSA-N 316.297 6.098 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Cl)ccc1Cl 1919575540 FODBBSZHQJXRKO-INIZCTEOSA-N 303.273 5.952 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2ccc(SC)s2)CC1 1921085953 JRCGBDBHRZYVGK-DSSZZKGTSA-N 309.500 5.004 30 10 DKEE CCCCCCCCC[C@@]1(N)CC[C@@H]1OCc1ccccc1 1934897637 UUJXNHFALNSULR-VQTJNVASSA-N 303.490 5.204 30 10 DKEE C=CCCCC[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1984554557 QAZRONRRXYNXTK-NRFANRHFSA-N 310.437 5.220 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 1996709705 MBEVCOZPGZEMCM-IRLDBZIGSA-N 321.464 5.273 30 10 DKEE C=CCCCCCCNc1cccc(F)c1Br 2026017733 RSURVYFBDIAWHX-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1cccc(C)c1 2070125954 ZMHXMKIQHAAIIY-NRFANRHFSA-N 306.453 5.220 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cccc(Br)c1C 2083291608 KYWWJMBJUHGRGH-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1scc(Cl)c1Cl 2096218867 PPTRIAVILXPNSQ-GFCCVEGCSA-N 318.313 5.535 30 10 DKEE CC#C[C@@H](NCCC)c1ccc(-c2ccc(Cl)cc2)s1 2164218447 SEWQXLBNGGYRTO-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=C(C)C[C@H](NCCC)c1cccc(SC(F)(F)F)c1 2164220428 KFPCUYWXHIDRSL-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE C=C([C@H](NCC)c1ccc(-c2cccs2)s1)[Si](C)(C)C 2205875033 RKCYKWDKPZJIFA-INIZCTEOSA-N 321.587 5.561 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 2206803699 WWESWLSKELGCJQ-VIFPVBQESA-N 302.723 5.288 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@H](O)c1ccc(Cl)s1 2207436689 KGAMLXDVGMFGMQ-CJNGLKHVSA-N 315.910 5.069 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@H](CS)CC1CC1 2217702117 BMYVAKVMWHLKGQ-LLVKDONJSA-N 305.270 5.027 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(O)c1c(Cl)cccc1Cl 2284084885 XFBUYTFIJQTBBS-KRWDZBQOSA-N 311.252 5.197 30 10 DKEE Cc1c(Cl)ccc(N=C2N[C@H](C(C)(C)C)CS2)c1Cl 2340143516 AIPGNADKGJILMK-NSHDSACASA-N 317.285 5.040 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1c(Cl)ccc(Cl)c1OC 2344370417 BBKGOBLZWGWFJI-HNNXBMFYSA-N 301.213 5.177 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2344380956 MEHIRBMPEMOEOR-IAQYHMDHSA-N 300.273 5.035 30 10 DKEE C[C@@H]1CCCC[C@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2349905852 GYSAKKCPDRKHIL-MEBBXXQBSA-N 303.204 5.070 30 10 DKEE CC1(C)CC=C(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 2349925033 IJANCVKLGGIBJD-UHFFFAOYSA-N 301.188 5.452 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc2sc(C)cc2s1 2364094872 HRDZLLZSWYELNS-KRWDZBQOSA-N 305.512 5.690 30 10 DKEE O=C(/C=C\C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 33319128 BPBZBDJYAKTEQJ-ARJAWSKDSA-N 318.414 5.103 30 10 DKEE Clc1ccc(/N=C2\NC[C@H](c3ccccc3)S2)c(Cl)c1 35082596 MWIHJPJOHVMQDK-CQSZACIVSA-N 323.248 5.059 30 10 DKEE CCCCCCCc1ccc(-c2ccc(C(=O)O)c(F)c2)cc1 44418472 DBNHLTPJKKCXJQ-UHFFFAOYSA-N 314.400 5.704 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 83193764 OXHYLCHQIATMCJ-FMIVXFBMSA-N 322.448 5.605 30 10 DKEE CC(C)C1CCC(C#N)(Cc2c(Cl)cccc2Cl)CC1 87960155 USMBHYBSTXNBFW-UHFFFAOYSA-N 310.268 5.892 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1cccc(Cl)c1 94580256 ORSTXRJGESEZDI-UHFFFAOYSA-N 313.938 5.288 30 10 DKEE CCCC(CS)(CCC)COc1ccccc1[C@H](C)CC 94583180 RWAGHRDBDDQLJO-MRXNPFEDSA-N 308.531 6.095 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2cccs2)C(C)C)C1 110264256 SUGACOSGUKFIRI-SOLBZPMBSA-N 304.503 5.067 30 10 DKEE CCCCCCCC[C@@H](NCC)c1csc2ccccc12 115856702 UAYDABVVLFVYBV-GOSISDBHSA-N 303.515 6.303 30 10 DKEE CCCCCCCCCCCCOC(=O)Cc1ccccc1 141769402 BSOPSBIGIYEHGT-UHFFFAOYSA-N 304.474 5.693 30 10 DKEE CCCCCCCCCSc1ccc(Cl)c(C(=O)O)c1 167036628 UHPCIGSTEIQSLL-UHFFFAOYSA-N 314.878 5.881 30 10 DKEE N#Cc1c(Cl)cccc1Nc1cc(Cl)c(F)c(Cl)c1 232039697 CPHLHWUBKKIBRS-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2cc(Cl)sc2Cl)cc1C 235913568 WPMGYOYRSVJLCK-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE ON=C1C(c2ccc(C3CCCCC3)cc2)=Nc2ccccc21 254305052 JKCDPMDEWLXVTJ-UHFFFAOYSA-N 304.393 5.047 30 10 DKEE Cc1ccsc1C=Nc1ccc(C(=O)c2ccccc2)cc1 254835887 JDNHXSDWMUMYBX-UHFFFAOYSA-N 305.402 5.038 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccccc2Cl)C1 300153821 COWLDJWVLDGXCY-JKIFEVAISA-N 307.890 5.682 30 10 DKEE C=CCCC[C@@H](C)NCc1ccc(OCc2ccccc2)cc1 398100348 HLGPQDVCMGFEPU-GOSISDBHSA-N 309.453 5.100 30 10 DKEE N#Cc1ccc([C@@H]2CCc3ccccc3N2Cc2ccccc2)cc1 616667271 IYTCWSRWCKTOKE-QHCPKHFHSA-N 324.427 5.252 30 10 DKEE C=CCCCCC[C@H](N)c1c(Cl)cccc1C(F)(F)F 712548746 OJOXJPSNZTWVQD-ZDUSSCGKSA-N 305.771 5.495 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cccc(Br)c1C 715772216 IQBJAYZUWAEOCB-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE COC1=C2CC[C@H]3[C@@H](CC[C@@]4(C)[C@H](C)CC[C@H]34)[C@]2(C)CCC1=O 1088689511 KRJUBAZVBVUWFT-SLSXCVKXSA-N 316.485 5.129 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccc(OC(F)(F)F)cc2)cc1 1614730860 JLPDLNNRQNLMFP-UHFFFAOYSA-N 318.338 5.283 30 10 DKEE CCCCCCCCCCn1c(C)cc(OCC(C)C)cc1=O 1860784819 GWJYKKTYCJJKBT-UHFFFAOYSA-N 321.505 5.332 30 10 DKEE C=CCC[C@@H](C)N(C)CCSc1cc(Cl)ccc1Cl 1884130819 MHJOBTWMESCWND-GFCCVEGCSA-N 318.313 5.372 30 10 DKEE Cc1cc(C#N)ccc1CN(Cc1ccccc1)[C@H](C)C(C)(C)C 1946838654 CALSQIINICNDNF-GOSISDBHSA-N 320.480 5.304 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2csc(Br)c2)CC1 2010784654 OXDGDGJZFJWNCY-SNVBAGLBSA-N 313.260 5.076 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)c(Cl)s1)C(F)(F)F 2038530074 HMOOXZMDSBDGJD-VIFPVBQESA-N 318.191 5.214 30 10 DKEE C=CCCCCC[S@](=N)(=O)c1ccc(Cl)cc1Cl 2073737646 CGNRNBHHMWJVBX-SFHVURJKSA-N 306.258 5.145 30 10 DKEE CCCCCCCCCC(=O)c1cc(C(F)(F)F)ns1 2155003530 KHUFGILVIIOTJS-UHFFFAOYSA-N 307.381 5.485 30 10 DKEE N#Cc1cc(Cl)ccc1N1CCCC[C@@H]1c1cccs1 2171824643 SWPWBFSWAQFCHG-OAHLLOKOSA-N 302.830 5.005 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(F)c(Cl)c1F 2179678096 CODGBDQVHBJCET-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCCCCC(=O)c1cc(Cl)sc1C 2207381633 KHAIFCZWVBBVQJ-UHFFFAOYSA-N 312.906 6.590 30 10 DKEE C=CCCCCCCCC[C@@](C)(O)C(F)(F)C(F)(F)F 2207413311 ZHPCJXCPLTUZFL-GFCCVEGCSA-N 302.327 5.242 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2217664847 DZTSQVRIVFHPEP-RNCFNFMXSA-N 306.664 5.510 30 10 DKEE C#C[C@@H](CC(C)C)N[C@@H](c1cccs1)c1ccc(Cl)s1 2234696252 OGEGJHKFUDTSMW-LRDDRELGSA-N 323.914 5.190 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(F)c(F)cc1Cl 2240658282 QPIMGLKNQQFNMH-LBPRGKRZSA-N 303.824 6.169 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Br)c(Cl)s1 2244632085 XTNKYJDKAGCDNG-JTQLQIEISA-N 322.699 5.300 30 10 DKEE Cc1cc(Br)ccc1S[C@@H](C)CC(C)(C)C#N 2248565652 PAHOMHLBILYRSI-NSHDSACASA-N 312.276 5.178 30 10 DKEE CC(C)=CCC[C@@H](C)CCOCCCB1OC(C)(C)C(C)(C)O1 2248919049 GNBCILLETAAJCX-QGZVFWFLSA-N 324.314 5.258 30 10 DKEE CCCCC[C@H](CC)Oc1c(Br)cccc1C#N 2257496470 MNMFIYLYMKRCOI-ZDUSSCGKSA-N 310.235 5.058 30 10 DKEE C=CCCCOC(=O)c1sc2cc(Cl)ccc2c1Cl 2269597058 AJDBGWKQGDSTEJ-UHFFFAOYSA-N 315.221 5.331 30 10 DKEE C#CCCCCC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2286463867 VRGFNVCCNPOVKV-QGZVFWFLSA-N 312.284 5.536 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc(Cl)c(Cl)cc2C)CC1 2286511683 AKEBJCKXIFFYKR-KRWDZBQOSA-N 312.284 5.699 30 10 DKEE CCCCCCCCC[C@H](C)NCCSCC(F)(F)F 2295685493 YAHQACQHOUCSAB-AWEZNQCLSA-N 313.473 5.401 30 10 DKEE C=CCCCC[C@@H](NCCC)c1nc(C(C)(F)F)cs1 2296058405 VKGDJQKIAYZAKS-GFCCVEGCSA-N 302.434 5.042 30 10 DKEE C=C1C[C@H]1[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2319251914 IRJQGYRKFRYPRF-QMTHXVAHSA-N 304.648 5.264 30 10 DKEE CCCCc1ccc(C(=O)C=Cc2ccc(O)c(OCC)c2)cc1 2325790651 FIHXTJJHOCGTJR-UHFFFAOYSA-N 324.420 5.030 30 10 DKEE CC[C@](C=O)(C(C)C)[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353222174 KKHOQIIXFBTZNW-LRDDRELGSA-N 301.257 5.657 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1C 2364409888 YAOQAFJYHFLOTO-INIZCTEOSA-N 314.300 6.218 30 10 DKEE CCCCC#CC[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2364552142 VUZMDVKQUVBAID-INIZCTEOSA-N 312.284 5.536 30 10 DKEE CCCCCCC[C@@H](O)CCCCC(F)(F)C(F)(F)F 2368114495 WWBKVNXREXVRKT-GFCCVEGCSA-N 304.343 5.466 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2377426894 KXQQLWSKXKJXJN-MRXNPFEDSA-N 319.247 6.083 30 10 DKEE CCCCCCCOc1ccc(CNC2CCCC2)cc1OC 100127994 NDJFBHHZJIHVPN-UHFFFAOYSA-N 319.489 5.077 30 10 DKEE CC/C=C\C/C=C\C[C@H]1O[C@@H]1CCCCCCCCCCC 104899460 HQCGSJRACGWHOF-ZIABVMEJSA-N 306.534 6.977 30 10 DKEE biogenic C=CCSc1ccccc1N[C@@H](C)c1ccc(F)c(Cl)c1 109900876 DOYOYMXICGQBRA-LBPRGKRZSA-N 321.848 5.930 30 10 DKEE CCCCCCC[C@@H](CNC(C)C)Cc1ccccc1Cl 113024340 CLYAXPDGXYQFGW-QGZVFWFLSA-N 309.925 5.857 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(Cl)ccc1F 131174916 OJEHCKBMHGBKCZ-INIZCTEOSA-N 300.849 5.124 30 10 DKEE CCCCCCCCCCCCOC(=O)Nc1cccc(C)c1 150286987 GCAAYHGAFRSFFJ-UHFFFAOYSA-N 319.489 6.464 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(Br)c(C)c1 167683350 WIUAJYHHMZTZPU-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCC[C@H]1CNc2c(Br)cccc21 232944678 REGLDOGBZJXMJO-AWEZNQCLSA-N 324.306 6.099 30 10 DKEE SCCCCCCCCCSCc1ccccc1Cl 236573188 ILERNBINPWNDOB-UHFFFAOYSA-N 316.963 6.234 30 10 DKEE CCCCCCCCNc1sc2c(c1C(=O)OC)CCCC2 257661268 WJMCOLQMKCECJM-UHFFFAOYSA-N 323.502 5.186 30 10 DKEE N#C[C@@H](CSc1ccc(Cl)cc1Cl)c1ccccc1 322742859 ZBNTVDHSWXZPLO-LBPRGKRZSA-N 308.233 5.393 30 10 DKEE N#CC1(Cc2ccsc2Br)CCCCCCC1 389062042 LZELQXVAJGLDOO-UHFFFAOYSA-N 312.276 5.307 30 10 DKEE CCCCCCCCC[C@@H](O)c1csc(C(F)(F)F)c1 703611511 AYKLBKMDUUDDRB-CYBMUJFWSA-N 308.409 5.941 30 10 DKEE Cc1cc(C)c(C=NNc2ccc(C(F)(F)F)cc2)c(C)c1 1083977005 YWIIGPVQMMCXCI-UHFFFAOYSA-N 306.331 5.077 30 10 DKEE CCc1ccc(/C(C)=N/OCc2cccc3ccccc23)cc1 1857936004 NTEGDOXIHMVSTI-CJLVFECKSA-N 303.405 5.343 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1Cl 1874604473 ONJGOYKJKIMHDO-YRNVUSSQSA-N 314.812 5.197 30 10 DKEE CC(C)[C@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1901678787 RDUUOQPMFFDQRT-KXBFYZLASA-N 322.493 5.131 30 10 DKEE C=CCCC[C@@H](NCC)c1c(Br)sc(C)c1C 1951109296 ZTXDMFFYYYONDE-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CC(C)(C)OC(=O)N(CC1CC1)C1(C#N)CCCCCCCC1 1980334491 PBMGHABWHRBJBU-UHFFFAOYSA-N 320.477 5.030 30 10 DKEE C=CCCN(CCCOc1cc(C)ccc1C)Cc1ccccc1 2019345901 IPVONVQNIKVKFS-UHFFFAOYSA-N 323.480 5.151 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](C)c1ccc(CCC)cc1 2070161252 ICHYACLDLXQCRV-KRWDZBQOSA-N 314.432 5.093 30 10 DKEE CC(C)c1ccc([C@@H](C)n2nc(C3CC3)c(C#N)c2Cl)cc1 2079936408 MAAIFALOFFUZKO-GFCCVEGCSA-N 313.832 5.018 30 10 DKEE CCCCCCC[C@](C)(N)c1cccc(Br)c1C 2083311368 IMARMMZYQIWSGB-INIZCTEOSA-N 312.295 5.292 30 10 DKEE CC(C)(Nc1ccc(Br)cc1C#N)C1CCCCC1 2094162026 YNZKLKPPXOOVEG-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCC(=O)c1scc(Cl)c1Cl 2096222571 VNIGOCBBBHLONL-UHFFFAOYSA-N 321.313 6.768 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc2cc(Br)ccc2c1 2102100619 OAIOYARXZGJMPW-LBPRGKRZSA-N 317.226 5.387 30 10 DKEE CCCC1CCC(C#N)(Cc2snc(Cl)c2Cl)CC1 2110928789 FIVQPRMNSBRMKV-UHFFFAOYSA-N 317.285 5.493 30 10 DKEE C=CCC[C@@H](C)C[C@H](NCCC)c1cccc(Br)c1 2113417623 KBVWCUQHVZTNKG-PBHICJAKSA-N 324.306 5.482 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(C)cc(Br)c1 2141906550 VZTZZLRGFOOCTE-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1cccc(Cl)c1Cl 2148590782 VSZZLUPMUMPPBR-GOEBONIOSA-N 318.288 5.105 30 10 DKEE C=CCC[C@@H](C)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2158316993 VVUCRNJEKHYNPT-SJKOYZFVSA-N 306.858 5.704 30 10 DKEE C=CCCCCCCCCC(=O)c1cc(Cl)cc(Cl)c1 2207413709 KWBCIQGJEWRVAP-UHFFFAOYSA-N 313.268 6.483 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](N)c1ccc(Cl)c(Cl)c1 2207448245 ILQGEUVIGAPEGC-CVEARBPZSA-N 318.288 5.105 30 10 DKEE C=CCCC[C@@H](NCC)c1sc(C)c(C)c1Br 2215908751 HUDGHEFZAHWHCA-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)c(C)cc1Cl 2240655202 ZXELPLWPEMXLSA-AWEZNQCLSA-N 316.316 6.853 30 10 DKEE C=C(C)CCCCNc1cc(Cl)c(C)cc1Br 2250162111 VBPMOTYONUFQJW-UHFFFAOYSA-N 316.670 5.569 30 10 DKEE C=C(C)CCCCNc1cc(C)c(Br)cc1F 2250187034 HDSGFAOXZVONRU-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE C=CCCCSC[C@@H](NCCC)c1ccc(Cl)s1 2258979867 ADJCSMXKUOAQDG-GFCCVEGCSA-N 303.924 5.142 30 10 DKEE CC(C)(C)C#CC=CCNc1cc(F)c(Cl)cc1Cl 2268757496 QBZIJVNKOMTJAS-UHFFFAOYSA-N 300.204 5.150 30 10 DKEE Cc1cc(Nc2ccc(Cl)cc2C#N)c(Cl)cc1Cl 2277455358 RPNXAWIPJPTYDD-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc(Cl)c(Cl)cc2C)C1 2286472286 GQIDOXVRWCRVAL-KRWDZBQOSA-N 312.284 5.699 30 10 DKEE C=CCCCCCCCS[C@H](CN)c1ccc(Cl)cc1 2287095704 CHSFGQUVIUYPRO-QGZVFWFLSA-N 311.922 5.600 30 10 DKEE C=C1C[C@@H]1[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2319247133 SSHKIODGSAOJPA-HZMBPMFUSA-N 304.648 5.264 30 10 DKEE C=C[C@@H](C)CC(=O)c1c(C)c(C)c(Br)c(C)c1C 2322676884 XVXBYWJAQDAVQP-SECBINFHSA-N 309.247 5.078 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339150923 SOXJHAJGCSRVFB-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE CCCCCCC[C@@H](NN)c1cc(Cl)c(C(F)F)s1 2345147683 QCROVFFIVWJZRD-SNVBAGLBSA-N 310.841 5.204 30 10 DKEE C=CCC(CC=C)C(=O)c1cc(C(F)(F)F)ccc1Cl 2364000378 ZJFGMUFAMBFVNJ-UHFFFAOYSA-N 302.723 5.310 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1C 2364434200 CAQHIIRLGLREPD-UHFFFAOYSA-N 313.268 6.401 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)cc2)C1 37154904 DDQATALTRMYZEV-JKIFEVAISA-N 305.462 5.662 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCCC1)c1c(F)cccc1Cl 37344753 RSTOJTLYYQPNIY-ZDUSSCGKSA-N 307.796 5.016 30 10 DKEE Clc1ccc(/N=C2/N[C@H](c3ccccc3)CS2)c(Cl)c1 63001245 CSUSGYVSYBHADG-AWEZNQCLSA-N 323.248 5.059 30 10 DKEE CCc1cccc2c(C#N)c(Cl)n(Cc3ccccc3C)c12 71465904 HOCHGTHCDFYSOV-UHFFFAOYSA-N 308.812 5.086 30 10 DKEE CCCCCCCCCCCCc1ccc(C[N+](C)(C)C)cc1 95851570 QBHPUAZVNMMJCX-UHFFFAOYSA-N 318.569 6.356 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccccc1Br 103931039 AKBHQUYIDTZTOP-MRXNPFEDSA-N 312.295 5.460 30 10 DKEE CCCCCCCCC[C@H](N)Cc1c(Cl)cccc1Cl 109732995 PLVKCGSIVRJCKJ-AWEZNQCLSA-N 316.316 6.004 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCCC[C@@H]1C(C)(C)C 109901118 CAEJPYLQPXVTDN-JKSUJKDBSA-N 303.515 5.982 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc(Cl)ccc1C 157956317 BZDLWBHMSZHZAC-IBGZPJMESA-N 309.925 6.440 30 10 DKEE CCCCCCCCCN1C(=O)[C@@H](CCC)Nc2ccccc21 169883738 BXIRRCOOORYBAN-GOSISDBHSA-N 316.489 5.364 30 10 DKEE CCCCCCCOc1ccc(C(C)=O)c(Br)c1 204157976 ADKTZSRXCFQYNO-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE C=CCCCCCC(=O)c1ccc(Cl)cc1Br 236042686 PNSYXIROVFDCAR-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE Cc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)s1 257352580 MBVOHTRYOTUAHV-UHFFFAOYSA-N 305.406 6.223 30 10 DKEE CCCC1CCC(C=O)(Cc2cc(Cl)ccc2Cl)CC1 317417543 FFMLEXAZYLJEHH-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE C[C@@H](C1CC1)N(Cc1ccccc1)C[C@H](C#N)C1CCCCC1 397456230 NBJIWBXQDKDLRO-UWJYYQICSA-N 310.485 5.007 30 10 DKEE Cc1c(Cl)cc(N[C@H](C)c2ccc(C#N)cc2)cc1Cl 690297948 DLIKJVVLHPEOJZ-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CC(C)C[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)C1 698359093 MAKCJGQQWZLCMB-QFBILLFUSA-N 322.493 5.131 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C(CC)(CC)CC 698407929 OTJDNVYGEGUKGI-CABCVRRESA-N 310.482 5.131 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)cc(F)c1F 709235995 XLWLUUKBCVUDGP-HNNXBMFYSA-N 304.808 5.792 30 10 DKEE C#CCCCCC[C@H](NCC)c1cscc1C(F)(F)F 717194547 ZPKXDBDIWBAVLZ-AWEZNQCLSA-N 303.393 5.001 30 10 DKEE CC(C)(C)C#CCn1ccc2cc(OCc3ccccc3)ccc21 720863954 JHSPGVVFSAAXCB-UHFFFAOYSA-N 317.432 5.270 30 10 DKEE CSc1ccc(C=NNc2cc(Cl)ccc2Cl)cc1 1084389338 SDOSJFHEUGEHKA-UHFFFAOYSA-N 311.237 5.161 30 10 DKEE CCCN1/C(=N/c2ccc(C)cc2)S[CH][C@@H]1c1ccc(C)cc1 1615620567 MCKSUTZPJTXTNH-DCDYOYONSA-N 323.485 5.653 30 10 DKEE C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@@H]1C 1860024899 AFNJEJDRLKMWAF-LPHOPBHVSA-N 313.485 5.191 30 10 DKEE CCCCCCCCCCNC(=O)CCc1ccc(F)cc1 1866133514 OBDXLIHRNMVAAW-UHFFFAOYSA-N 307.453 5.015 30 10 DKEE C#CCCCCCN(Cc1ccccc1)[C@H](C)c1cccs1 1914903293 LZOMRRRDQGQWML-GOSISDBHSA-N 311.494 5.505 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](N)c1cc(Cl)ccc1Cl 1920357743 VADUUQSAOSZUDX-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE CC(C)(C)C1CCC([C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 1984463121 WTTICPUVFGLJJD-FJBKBRRZSA-N 306.299 5.321 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(NC(=O)OC(C)(C)C)cc1 1984516650 PFFIFDDVLBUPEQ-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CC(C)(C)C1CCC(C=O)(CCC=CBr)CC1 2004041586 RLQLHQXEGARHQR-UHFFFAOYSA-N 301.268 5.097 30 10 DKEE Cc1sc(Br)c(C(=O)C2=CC[C@@H](C)CC2)c1C 2010603837 AZUGQFPDCCFRGM-MRVPVSSYSA-N 313.260 5.057 30 10 DKEE C=C(C)CCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2027883232 ZQYNOIIORMURRR-SNVBAGLBSA-N 306.664 5.654 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCCC1(C)C 2032105712 VXMPBPVOOWEETM-MRXNPFEDSA-N 306.247 5.020 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cccc(Br)c1C 2040533880 NTPSIYMCIIWMSH-LRDDRELGSA-N 310.279 5.010 30 10 DKEE CCc1ccccc1-n1nc(C2CCCCC2)c(C#N)c1Cl 2080274263 XQNCKDZNHUKPBC-UHFFFAOYSA-N 313.832 5.007 30 10 DKEE C=CCCCCCC[C@H](O)c1cccc(Br)c1C 2085848938 GIYBGDZTJFVNCL-INIZCTEOSA-N 311.263 5.318 30 10 DKEE C=CCCCCCCNc1c(C)cc(Br)cc1C 2085849612 MNGPCNBKBYVJRX-UHFFFAOYSA-N 310.279 5.614 30 10 DKEE C=CCCCCCCCCn1nc(C)c(Br)c1C 2086281245 RJOFLLIAHZBIQU-UHFFFAOYSA-N 313.283 5.179 30 10 DKEE C=C(C)CC[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 2096541707 FKUZJHRSDGDLAG-VIFPVBQESA-N 303.189 5.058 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H](O)c1ccsc1Cl 2148576965 BBHLZYWSTOIOIF-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H](O)c1ccc(Cl)s1 2148593196 XVGMSPUJSINFAO-CJNGLKHVSA-N 317.926 5.293 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(C(F)(F)F)cs2)C1 2161275680 YZAJKNRPCNNEIJ-FZMZJTMJSA-N 301.377 5.420 30 10 DKEE C=CCC[C@@H](NCCC)c1cccc(SC(F)(F)F)c1 2164221155 MXZNXJVAILUOAW-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(C(F)F)cs1 2207402537 CNZFXKMCOVQHEG-AWEZNQCLSA-N 302.430 6.026 30 10 DKEE C=CCCCCCCCC(=O)c1ncsc1Br 2214623267 RMYYNQRUPXPHFL-UHFFFAOYSA-N 316.264 5.005 30 10 DKEE CCCCCCCC[C@H](C)NCc1ccc(Br)o1 2223856781 HSVRMBFGRYGNDK-ZDUSSCGKSA-N 316.283 5.271 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Br)ccc1N 2227278814 DBNZKZACUHPLEY-UHFFFAOYSA-N 324.262 5.131 30 10 DKEE Cc1csc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)c1C 2234257091 XCIKJFKBBRYZGU-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccc(F)c(Cl)c1F 2235524064 MCYPNQNRPIYSMU-AWEZNQCLSA-N 302.792 5.568 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2236298968 MAZHRGBNILVBGP-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1 2237905576 SPSOZOWYXFYZEN-KRWDZBQOSA-N 314.300 6.084 30 10 DKEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1cc(Cl)cc(Cl)c1 2238004098 PHERAXSRJNEWIQ-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)nc(Cl)n1 2239557528 VVIOWJRSBLHFBY-UHFFFAOYSA-N 320.264 5.088 30 10 DKEE C=CCCCC(=O)c1c(Cl)cc(Br)cc1Cl 2243537825 FSNIAFNYFNKPGB-UHFFFAOYSA-N 322.029 5.295 30 10 DKEE O=C(CC#CC1CCCC1)c1cscc1OCc1ccccc1 2245350345 GHBIXDKWYGTPMU-UHFFFAOYSA-N 324.445 5.094 30 10 DKEE CCCCCCCCC[C@H](O)c1csc(Cl)c1OC 2268852487 UUXNRYBAZNSGIG-ZDUSSCGKSA-N 304.883 5.584 30 10 DKEE C=CCCCCCCCSCCN[C@H](C)c1cccs1 2287081160 ZMKZXFGLDXOUGL-MRXNPFEDSA-N 311.560 5.659 30 10 DKEE CCCCCCCCC[C@](C)(CSC(C)C)OCCN 2293459271 QGJQILABEHAIBZ-QGZVFWFLSA-N 303.556 5.003 30 10 DKEE C=CCC(CC=C)C[C@@H](NCC)c1ccccc1Br 2338665797 KVCZTPTYSDMECC-QGZVFWFLSA-N 322.290 5.258 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2344358794 WMXISHLMXIBNJC-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)C(=O)Cc1cc(F)c(Cl)cc1Cl 2349875684 JXUKRJGJOBYBRA-OAHLLOKOSA-N 303.204 5.237 30 10 DKEE CC(C)(C)C1(C)CC(C#N)(c2ccc(Br)c(F)c2)C1 2352179094 PXGVMYUHOLNFNT-UHFFFAOYSA-N 324.237 5.196 30 10 DKEE C[C@H]1CC=C(C(=O)CCCc2cc(Cl)cc(Cl)c2)CC1 2366839286 ZCPLSLVBMOKMEV-LBPRGKRZSA-N 311.252 5.632 30 10 DKEE CC(C)c1ccc([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)cc1 14462609 KPGTYSGPBBTJDK-IPJJNNNSSA-N 314.432 5.508 30 10 DKEE CC[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl 37071541 NZRNQUMDFFPQLA-QGZVFWFLSA-N 319.235 5.623 30 10 DKEE CCC1(CC)CS/C(=N\c2c(Cl)ccc(C)c2Cl)N1 53045215 BTGKLLGTDMZBHQ-UHFFFAOYSA-N 317.285 5.185 30 10 DKEE Cc1ccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)c(Cl)c1 103030010 NOYDZOXQFHGMKU-KHPPLWFESA-N 313.828 5.580 30 10 DKEE O=C(/C=C/C=C\c1ccccc1)c1ccc(-c2ccccc2)cc1 108766575 ZTCYKRUBXKZKTE-WIFBXHMDSA-N 310.396 5.806 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1 115856712 NFXUSOQIDXDBHI-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCSc1cccc(Nc2c(F)cccc2Cl)c1C#N 122250388 CGWKEKJDBGLMPQ-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE CCCCCCCC[C@@H](NC)[C@@H](C)Oc1cccc(Cl)c1 140313896 AGOKIMKLAVUNSY-CRAIPNDOSA-N 311.897 5.446 30 10 DKEE CCCCCCCC[C@H](NCCC)[C@H]1SCCS[C@H]1C 162271629 PITIRQQUIGICPF-ULQDDVLXSA-N 317.608 5.342 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)cc2c1OCC2 228436949 LZNULSWQKNMFBT-QGZVFWFLSA-N 310.865 5.449 30 10 DKEE Cc1ccc(Nc2cc(Cl)cc(Br)c2)c(C#N)c1 308335865 BYTARLFQPVMRQI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(SC[C@@H](CS)C(C)(C)C)nc2ccccc12 312358707 YWBSHMNUJUCKNU-CYBMUJFWSA-N 305.512 5.227 30 10 DKEE C[C@H](Nc1cccc(CC#N)c1)c1cc(Cl)ccc1Cl 313412316 SFEIQGDPBMFGKM-NSHDSACASA-N 305.208 5.233 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(C)c(Cl)c1 690282714 OYBCGBDGXCPZTG-GFCCVEGCSA-N 302.289 6.463 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1scnc1Cl 721931607 IYBJBMIKFUXUJS-CQSZACIVSA-N 317.926 5.621 30 10 DKEE CCCCCCCCCOc1ccc(NC(=O)C2CCC2)cc1 1860153689 AJKCINJAFROJTI-UHFFFAOYSA-N 317.473 5.555 30 10 DKEE C=CCOc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 1874598051 QYAJJSISBCJRNM-MDWZMJQESA-N 306.405 5.271 30 10 DKEE CCCCCCC[C@](O)(CC)c1ccc(Br)cc1 1920040785 LVBOWUGISIBXHI-MRXNPFEDSA-N 313.279 5.407 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)C2CCCCC2)C1 1946852033 RPIZNZMWORUOII-SYYKKAFVSA-N 324.512 5.540 30 10 DKEE C=CCCCCn1ccc2c(OCc3ccccc3)cccc21 1984510545 NBTVFLSRJHZGTK-UHFFFAOYSA-N 305.421 5.577 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@@H](C)C1CC1 1990793573 JWWQXVIGJNNPPH-FQEVSTJZSA-N 315.545 6.428 30 10 DKEE CC1(C)OB(C=Cc2ccc(-c3ccccc3)s2)OC1(C)C 1994925360 ZXALHJNOBJCIFZ-UHFFFAOYSA-N 312.243 5.060 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(Br)s1 1995208192 ZKPPDVQIZKRAIL-LLVKDONJSA-N 303.265 5.071 30 10 DKEE C=CCCCCCCCCC[C@H](N)[C@@H](C)OCc1ccccc1 1995328574 STNYYIUMQIKFNX-CTNGQTDRSA-N 317.517 5.616 30 10 DKEE C=CCCCCCC[C@H](N)c1cccc(OCc2ccccc2)c1 2026021996 PIMVTUBXGDAMRG-QFIPXVFZSA-N 323.480 5.792 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)c(Cl)s1)[Si](C)(C)C 2038534425 UTFAZGNOTDMMIN-GFCCVEGCSA-N 322.377 5.529 30 10 DKEE O=C(C(=Cc1ccc(F)cc1)c1ccccc1)c1ccccc1 2039908450 JKIKWBGOHFTJEG-UHFFFAOYSA-N 302.348 5.249 30 10 DKEE CCN(C)/C=N/c1cc(C)c(Oc2ccccc2F)cc1Cl 2049389420 SQCJYCIUZGDBPJ-RGVLZGJSSA-N 320.795 5.191 30 10 DKEE CC1(C)CCCC[C@]1(C)Nc1ccc(C#N)cc1Br 2103594032 GWNDDZYXQOSUBB-INIZCTEOSA-N 321.262 5.092 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)c2ccc(F)cc2Br)C1 2128746489 SEFLPVAOYIIPNO-OXJKWZBOSA-N 324.237 5.268 30 10 DKEE CCCCCCC[C@](C)(O)c1c(Cl)ccc(Cl)c1F 2139493828 STMSWVGVNDCLET-HNNXBMFYSA-N 307.236 5.701 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H](O)c1cscc1Cl 2148579759 TVDMMFOXKJVNMY-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccsc1C(F)(F)F 2158322818 FKORJCOIJXQNEI-DGCLKSJQSA-N 305.409 5.410 30 10 DKEE CCCCCCCCOc1c([N+](=O)[O-])ccc(Cl)c1Cl 2159679912 SPDWCHUCPFJTQK-UHFFFAOYSA-N 320.216 5.641 30 10 DKEE C#CCCC[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164169789 YGUDWVRWCMGZIW-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccc(Cl)c(F)c1F 2176961878 KHOAVCZSYYDMHU-INIZCTEOSA-N 303.824 5.543 30 10 DKEE CCCCCCCCCN(C)[C@H](C)C(F)(F)C(F)(F)F 2195534514 BOKDTBMOHSLUKO-GFCCVEGCSA-N 303.359 5.255 30 10 DKEE CCCCCCCC[C@](C)(O)c1sccc1Br 2217291809 AYWUPMYVOCYDBB-AWEZNQCLSA-N 319.308 5.469 30 10 DKEE C=CCCCCCCC[C@@H](N)CSc1ccc(Cl)cc1 2235517796 AKCVFLMDHNQRCP-MRXNPFEDSA-N 311.922 5.676 30 10 DKEE N#C[C@H](c1cccc(Cl)c1Cl)[C@H]1CCC2(CCCC2)C1 2235756968 NHEUYOZYVHOJNU-JSGCOSHPSA-N 308.252 5.961 30 10 DKEE CCCc1ccc(C#CC(=O)c2cc(Cl)sc2Cl)cc1 2239667957 ATUJAGPFEBAOAL-UHFFFAOYSA-N 323.244 5.242 30 10 DKEE C=CC[C@@H](C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243556650 UFJRVFDVGLHIOA-GFCCVEGCSA-N 317.429 5.045 30 10 DKEE CCCCCCCCC[C@@]1(C)[C@@H](N)CCN1Cc1ccccc1 2246060365 ASVZIFXAFXLHSR-SFTDATJTSA-N 316.533 5.119 30 10 DKEE CCC(F)(F)CCSc1ccc(C#N)c(C(F)(F)F)c1 2283718840 LZCFMQZFIVEQMT-UHFFFAOYSA-N 309.303 5.105 30 10 DKEE CCCCCCC[C@@H](OCCN)c1ccc(Cl)cc1Cl 2292610927 ILQDDYMVJQIZLM-MRXNPFEDSA-N 318.288 5.370 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)cc(Br)c1 2304118622 BNHLSZKRBJWALG-KGLIPLIRSA-N 317.654 5.128 30 10 DKEE C=CCC(CC=C)Sc1ccc(CNC(C)C)c(Cl)c1 2360369584 WYTOZSHPWRRGLQ-UHFFFAOYSA-N 309.906 5.451 30 10 DKEE CCCCCCCCN(C)c1nc(Cl)nc2cscc12 2361052907 NIVFPNJHRRZFIW-UHFFFAOYSA-N 311.882 5.141 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cscc1C(F)(F)F 2370482715 OMXKIWXKBTVCHD-KBPBESRZSA-N 305.409 5.410 30 10 DKEE CCCCC/C=C\C[C@H]1O[C@H]1CCCCCCCC(=O)OC 25721720 JCJMEMDHUZYVMB-OAAMNHTFSA-N 310.478 5.184 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)OC 34171401 KYTKOCVFNCZSSC-PSLIWGKLSA-N 318.501 5.685 30 10 DKEE C/C(=C\C(=O)c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 91692220 WXXWJPIHRSGLPE-PKNBQFBNSA-N 308.274 5.131 30 10 DKEE CCCOc1ccccc1OCC(CS)(CCC)CCC 94583501 VHYZTHWQDBTNCT-UHFFFAOYSA-N 310.503 5.371 30 10 DKEE C=CCSc1ccccc1NCc1csc2ccccc12 109900708 COEXJQYLABYHTE-UHFFFAOYSA-N 311.475 5.792 30 10 DKEE CC[C@H](C)Oc1cccc(Nc2ccc(C#N)cc2Cl)c1 110258106 PEWNWVNNJZQGAL-LBPRGKRZSA-N 300.789 5.133 30 10 DKEE CCCCCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 127631174 SSNARPLRMSCDEP-UHFFFAOYSA-N 300.233 5.168 30 10 DKEE C=C(CNc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 134355892 CQXVYVFHCYQZBI-UHFFFAOYSA-N 312.627 5.772 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 135408512 IXHGNAHZNMRONK-CABCVRRESA-N 306.412 6.065 30 10 DKEE CCCCCCCCC[C@H](N)c1cc2c(s1)CCCCC2 157963698 CQELEVCCAMNAKQ-KRWDZBQOSA-N 307.547 6.158 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccc(Cl)s1)NCC 160960338 XQZUFSHTZDKKKT-HNNXBMFYSA-N 315.954 6.063 30 10 DKEE CCCCCCCCCCC(=O)c1cc2ccccc2s1 165094116 DWKQLOPBBLFXPO-UHFFFAOYSA-N 302.483 6.615 30 10 DKEE CCOc1ccc2ccccc2c1/C=N/Nc1ccc(Cl)cc1 169878827 RDFQMOAEHRXCCT-FYJGNVAPSA-N 324.811 5.338 30 10 DKEE Cc1c(Br)cccc1Nc1ccc(C#N)c(Cl)c1 232244809 JRACDOPIRACZSL-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1 238765469 RUXYUBRFOACSMM-HLIPFELVSA-N 302.458 5.049 30 10 DKEE biogenic C#C[C@@H](Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 378655297 AEUQUCVLIYSAFJ-CQSZACIVSA-N 310.611 5.433 30 10 DKEE CCCC1CCC(C#N)(Cc2ccc(Br)o2)CC1 393528723 HTJLYRYKIHFYHA-UHFFFAOYSA-N 310.235 5.085 30 10 DKEE Cc1cc(Nc2cc(Cl)c(Cl)c(Cl)c2)ccc1C#N 404273185 QQIFGMIYWPXXPM-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE N#Cc1cc(Nc2nc3cccc(Cl)c3s2)ccc1Cl 690219772 ZRNZYQAHRYTJOW-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE CC(C)C[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)C1 698358592 MAKCJGQQWZLCMB-APWZRJJASA-N 322.493 5.131 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C1CCCCCCC1 698381115 VWNXAWLGGXVPJR-NVXWUHKLSA-N 322.493 5.275 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1c(Cl)cccc1Cl 703962505 YZZDVPHLSPAOHT-LBPRGKRZSA-N 300.273 5.636 30 10 DKEE CCCCCCCCC[C@H](N)c1oc(Br)cc1C 716218261 IXIDUQPLEOEIRF-ZDUSSCGKSA-N 316.283 5.491 30 10 DKEE C=CCN(C(=O)CC1CCCCC1)C1CCC(C(C)(C)C)CC1 1860017316 CXRYTUZNTWHFEY-UHFFFAOYSA-N 319.533 5.576 30 10 DKEE CCCCCCCCCC(=O)[C@H]1CCN(Cc2ccccc2)C1 1988166409 KLMRPNHXPSSUOH-FQEVSTJZSA-N 315.501 5.218 30 10 DKEE C=C(c1ccccc1)[C@@H](O)c1ccccc1OCc1ccccc1 2020519140 QPQBOHKJFCNQGO-JOCHJYFZSA-N 316.400 5.012 30 10 DKEE CCCCC[C@@](C#N)(CC)Nc1cccc(Br)c1 2073343600 XKBUJDCVWOJZRE-OAHLLOKOSA-N 309.251 5.114 30 10 DKEE C=C(Cl)C[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2107921625 FFLYDOJGWYKYGM-CYBMUJFWSA-N 312.265 5.472 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cccc(Cl)c1Cl 2108212853 GGDRRINESWZCQE-LSDHHAIUSA-N 300.229 5.137 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1F 2151940229 LQKBFQDJSVYFJG-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccsc1C(F)(F)F 2158322817 FKORJCOIJXQNEI-AAEUAGOBSA-N 305.409 5.410 30 10 DKEE N#Cc1ccc(NC2CC[Si]3(CCCC3)CC2)c(Cl)c1 2161346486 AADFFZJVGAOIOI-UHFFFAOYSA-N 304.897 5.029 30 10 DKEE O=C(C1=CCCCCC1)c1cccc(SC(F)(F)F)c1 2164073916 QUVHGPXFCIOKST-UHFFFAOYSA-N 300.345 5.372 30 10 DKEE CCCC[C@@](C)(C#N)[C@H](O)c1cc(-c2cccs2)cs1 2164476130 VQRWTXZPTWXQRT-CVEARBPZSA-N 305.468 5.230 30 10 DKEE C=CCCCC[C@H](O)c1ccc(OC(F)(F)F)c(Cl)c1 2179702806 GFXZGGDYYRTEBX-LBPRGKRZSA-N 308.727 5.018 30 10 DKEE C=C1CC(C[C@H](O)c2ccc(-c3cccc(Cl)c3)s2)C1 2182127736 FVSBXFJTEOOSQF-HNNXBMFYSA-N 304.842 5.458 30 10 DKEE Cc1cc(Nc2cc(Cl)c(F)cc2C#N)cc(C)c1Cl 2184422717 JGWYGLDEHCIDNQ-UHFFFAOYSA-N 309.171 5.365 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 2203972959 GFTUPBNIUTUWGF-CYBMUJFWSA-N 311.252 5.488 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)sc1Cl 2220081832 AEIHSYZZBKBTMR-LBPRGKRZSA-N 306.302 5.971 30 10 DKEE CCCCCCCCCOCc1cccnc1Br 2223239660 FBGQSEAZDGBIHV-UHFFFAOYSA-N 314.267 5.111 30 10 DKEE C=CCCCCCCC[C@](C)(O)c1c(Cl)cccc1Cl 2235537277 AUFXTDSUYWUHAS-KRWDZBQOSA-N 315.284 6.118 30 10 DKEE C=CCCCCCC[C@@H](Cc1cccc(Cl)c1Cl)NC 2235750840 ZIXVWOOHHDXSMI-HNNXBMFYSA-N 314.300 5.651 30 10 DKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)c1csc(Cl)c1 2239559653 SNXBILGYDMVSFW-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE C#CC[C@H](C[C@H](NC)c1cc(Cl)c(Cl)cc1C)C1CC1 2286479012 PITYZWHVSCAVTF-DYVFJYSZSA-N 310.268 5.002 30 10 DKEE C=CCCCCCCC[C@H](OCCN)c1sccc1Cl 2293581832 SIDZKEJMXZJULR-HNNXBMFYSA-N 315.910 5.335 30 10 DKEE CC[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2324714251 DTAVQUFNOUIRCV-CQSZACIVSA-N 322.404 5.097 30 10 DKEE CC(=CCC#Cc1ccccc1Br)CCCC(C)C 2338527212 MGSZVLYALALXNM-UHFFFAOYSA-N 319.286 5.963 30 10 DKEE C=CCC(CC=C)Sc1ccc(C[C@H](N)CC)c(Cl)c1 2360206720 AUOSHWCVWSWTKJ-CQSZACIVSA-N 309.906 5.233 30 10 DKEE CC1(C)CCC[C@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366909861 NJIWWPKGWRUCJW-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE C=CCSc1nc2ccc(/N=C/c3ccc(C)cc3)cc2s1 59392454 RLTARJIRMBRGSY-XDHOZWIPSA-N 324.474 5.633 30 10 DKEE CCC(C)(C)c1ccc(OCCCS)c(C(C)(C)CC)c1 82022430 OCTLHDBZNCMOGW-UHFFFAOYSA-N 308.531 5.761 30 10 DKEE CC(C)(C)c1cc(CS)c2c(Cl)cc(Cl)cc2n1 82468124 CSNPGVKMGCLVIO-UHFFFAOYSA-N 300.254 5.269 30 10 DKEE CCCOc1ccc(C)cc1C(=O)/C=C/c1ccc(Cl)cc1 83205155 HNYKLRYTKGDNES-JXMROGBWSA-N 314.812 5.333 30 10 DKEE CCCCCCCC1CCC(c2ccc(C(=O)O)cc2)CC1 102242081 RHHMSVOVPSNAEC-UHFFFAOYSA-N 302.458 6.019 30 10 DKEE CCCCCCCCCCNc1ccccc1Br 110158468 ZZHYVJQMXVQEJD-UHFFFAOYSA-N 312.295 6.002 30 10 DKEE CCCCCCCC[C@H](CSc1cccc(F)c1)NCC 117398771 WNRAVGHQBPVSSG-QGZVFWFLSA-N 311.510 5.647 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(F)c(Cl)cc1F 122235736 IEIXILPIZKJNMA-INIZCTEOSA-N 318.839 5.263 30 10 DKEE CCCCCCCCCCCC[S@](=O)c1cccc(N)c1 150075218 KXNYMTNVJDCOAR-OAQYLSRUSA-N 309.519 5.297 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(OC(F)(F)F)cc1 159044566 NFUQLBCHOVSKIT-HNNXBMFYSA-N 303.368 5.336 30 10 DKEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc(Cl)c(F)c1 214990184 PTZSHDCMUVUEIA-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(C)c(Cl)s1 226674641 UYYPLKLHFKBBCS-CQSZACIVSA-N 301.927 6.111 30 10 DKEE CCCC(CS)(CCC)COc1cc(F)ccc1Cl 381703371 BSLLWJSGCFSRIF-UHFFFAOYSA-N 304.858 5.374 30 10 DKEE CCCCCC(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405926944 QECFULWMFNUOSV-KAMYIIQDSA-N 317.429 5.196 30 10 DKEE CCCCCCC[C@H](NC)c1ccsc1Br 698647842 OHNWDCWQYJWNIS-LBPRGKRZSA-N 304.297 5.132 30 10 DKEE CCCCCCCCCCC(=O)c1cscc1C(F)F 717201942 CKHWLQDSGHGWMP-UHFFFAOYSA-N 302.430 6.399 30 10 DKEE CCCCCCCCCCSC(=N)NCc1ccccc1 718910813 QUGOKFHWLXMBBK-UHFFFAOYSA-N 306.519 5.585 30 10 DKEE COc1ccc2ccccc2c1C=NNc1ccc(C)c(Cl)c1 1083886639 VMNKOYHYZCVQNT-UHFFFAOYSA-N 324.811 5.256 30 10 DKEE CCCCCCCOc1ccc(NC(=O)C(CC)CC)cc1 1860136593 RXHWXTPWMZIREK-UHFFFAOYSA-N 305.462 5.411 30 10 DKEE CCCCCCCCNC(=O)[C@H](c1ccc(Cl)cc1)C1CC1 1868198811 NCBGCUBHJOKWCS-SFHVURJKSA-N 321.892 5.310 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)[C@H]1CCC[C@H](C)C1 1917860920 NVFPDUWVYLGYCO-ZWOKBUDYSA-N 301.540 5.753 30 10 DKEE C=C([C@H](NCCC)c1cc2c(s1)CCCC2)[Si](C)(C)C 1922874916 OONDTHLRVANBSV-KRWDZBQOSA-N 307.579 5.101 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)c(Cl)s1 2038529574 BSIKKNYVEFEQFM-LBPRGKRZSA-N 308.318 6.066 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1ccc(C(C)C)cc1 2070168783 IZMYJTIEBLWFAD-INIZCTEOSA-N 306.453 5.255 30 10 DKEE CC(C)=C(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1 2072422657 DVOAIBWASNDPMA-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C=C1C[C@@H]2CCC[C@H](C1)N2c1nc(Cl)c(Cl)cc1Cl 2117335130 KPDCBBLEWKJJEM-AOOOYVTPSA-N 317.647 5.119 30 10 DKEE C=CCC(C)(C)COC[C@H](NCCC)c1ccc(Cl)s1 2145511523 XBXPVJKCEVOJGP-ZDUSSCGKSA-N 315.910 5.061 30 10 DKEE C=CCCC[C@@H](NCC)c1cccc(SC(F)(F)F)c1 2164162140 NGEBYTLPLUVYMR-CQSZACIVSA-N 303.393 5.305 30 10 DKEE CCCCCC#CC[C@H](Cc1ccc(Cl)c(Cl)c1)NC 2203791499 MOPOJQIIGJFHGY-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE C#C[C@H](N[C@H](CC)c1ccc(Cl)cc1Cl)C1CCCC1 2204038259 GHWFBZFHKUSZEV-DLBZAZTESA-N 310.268 5.226 30 10 DKEE CN[C@H](CC#C[Si](C)(C)C)c1ccc(-c2cccs2)s1 2205877098 PDBZLNKLAFAHEK-CYBMUJFWSA-N 319.571 5.008 30 10 DKEE CCCCCCCCC[C@@H](O)c1nc(C(F)(F)F)cs1 2234851858 DTRVVFRHHAFZBD-LLVKDONJSA-N 309.397 5.336 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Cl)c(N)c(Cl)c1 2235538929 LSKSOVRUBULUIM-UHFFFAOYSA-N 314.256 5.675 30 10 DKEE C[C@@H](CC1CCCCC1)Nc1c(Br)cccc1C#N 2269701563 LUKYFWQENNSPNU-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=C(C)CCCCOc1c(Cl)cc(Cl)cc1C[C@H](C)N 2287409852 ZWDRRXRJOYZVHT-LBPRGKRZSA-N 316.272 5.008 30 10 DKEE Cc1cc(N[C@@H](C)c2cccc(C#N)c2)c(Cl)cc1Cl 2294756380 HDAFXKJCPYNKTL-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCOc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2323395631 QHOQRFZOKMTUCT-UHFFFAOYSA-N 316.400 5.525 30 10 DKEE CCC(=NOCc1cccc(C#N)c1)c1ccc(C(C)(C)C)cc1 2330264253 RGOMRUDIMLVHED-UHFFFAOYSA-N 320.436 5.187 30 10 DKEE CCOc1ccc(C(CC)=NOCc2cccc(Cl)c2)cc1 2330267362 CMRHUGUJFDWIAN-UHFFFAOYSA-N 317.816 5.070 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1csc(Cl)c1OC 2364091676 GUPJIVAHWMNYRX-CQSZACIVSA-N 313.894 5.219 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)CCCCC(F)(F)C(F)(F)F 2370604271 TVZJQYFMMQOCQG-NWDGAFQWSA-N 302.327 5.098 30 10 DKEE C[C@H](C#N)c1c(-c2ccc(-c3ccccc3)cc2)nc2ccccn12 31921228 YRPFFEFTACTYAO-MRXNPFEDSA-N 323.399 5.295 30 10 DKEE N#Cc1ccc(N[C@H](c2cccs2)C2CCCC2)cc1Cl 37253507 ZZXJXAHEKHTCFX-KRWDZBQOSA-N 316.857 5.617 30 10 DKEE N#C[C@H](C(=O)C1CCCCCC1)c1ccc(Cl)cc1Cl 53714826 ZWRBRPZLDAUCEJ-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE CCCCCCCCCCCCCC(=O)NC1CCCCC1 59895362 OJHKIQNTPYAYMN-UHFFFAOYSA-N 309.538 6.136 30 10 DKEE CC(C)Sc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 83193101 JOFCRFPSPSWVJM-LFYBBSHMSA-N 316.853 5.737 30 10 DKEE CC(C)Oc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 83193421 WANBPFHTKLDVDS-VGOFMYFVSA-N 308.421 5.493 30 10 DKEE CCCCCCCCCCCCNCc1ccccc1Cl 105806373 BOWBJTBTQBXKEY-UHFFFAOYSA-N 309.925 6.351 30 10 DKEE C#C[C@@H](C)Cc1cc(C(C)(C)C)c(OCCC)c(C(C)(C)C)c1 107631177 ZHKPQQQAUVBVPM-MRXNPFEDSA-N 314.513 5.882 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1cccc(Cl)c1 109901040 XENPZWZCUUBNTC-ZDUSSCGKSA-N 303.858 5.791 30 10 DKEE CCCCCCCCCc1nc2cc(Br)cnc2[nH]1 115063944 SERDYIVWLZUMTB-UHFFFAOYSA-N 324.266 5.014 30 10 DKEE Cc1oc(-c2ccco2)nc1CS[C@H](C)c1ccc(C#N)cc1 118444297 KYERIDFCAPMLSS-CYBMUJFWSA-N 324.405 5.109 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1snnc1CC 139539848 HGFQGXAHDKVGHG-INIZCTEOSA-N 311.539 5.282 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc2ccc(F)cc2s1 158132901 KTDVECJKIRKSIB-MRXNPFEDSA-N 307.478 6.052 30 10 DKEE CCCCCCCCCCCCN1CCCCCCCC1=O 164599157 OTVJOKLNYQYFIW-UHFFFAOYSA-N 309.538 6.090 30 10 DKEE CCCCCCCCNc1cc(F)c(Br)cc1F 232160356 IGVTXXQHHRXXPN-UHFFFAOYSA-N 320.221 5.500 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2 250519596 YZHDEBJQFFZIAQ-QTEQDKRBSA-N 322.411 5.538 30 10 DKEE N#Cc1cc(F)ccc1Oc1ccc(OCc2ccccc2)cc1 309896460 JXFSUJRICIYMPK-UHFFFAOYSA-N 319.335 5.069 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 313293896 GHYSNVJYMLWKJZ-LLVKDONJSA-N 312.240 5.242 30 10 DKEE CC(C)C[C@@H](C)[C@@H](C#N)Sc1ccccc1Br 380070046 QARCTJATGCFIRV-BXUZGUMPSA-N 312.276 5.116 30 10 DKEE C=CC[C@H](CC)Nc1cc(Br)ccc1C(F)(F)F 393802015 NLUOKMKSHIIPSC-JTQLQIEISA-N 322.168 5.235 30 10 DKEE C=CCn1c([C@H]2C[C@H]2c2ccccc2Cl)nc2ccccc21 1873514128 YIUPOLKUIPIWCX-GJZGRUSLSA-N 308.812 5.147 30 10 DKEE CCCCCCCCNC(=O)c1cccc2c1ccn2C(C)C 1874052868 VKHTWMORDGRCMA-UHFFFAOYSA-N 314.473 5.313 30 10 DKEE CC1(C)CCC[C@@](C)(Nc2ccc(C#N)cc2Br)C1 1877823465 PFUNFYMVZWMLQE-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCCc1cnc(Br)o1 1952128429 YKJIYNIWEWMXFY-UHFFFAOYSA-N 302.256 5.510 30 10 DKEE C=CCC[C@H](C)Cc1cc(Cl)c(C)c(Br)c1 1979831855 UMTVFFRODSUPCI-JTQLQIEISA-N 301.655 5.556 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@H](C)C(C)(C)C 1990780158 YREJTNFBXNJEQU-HXUWFJFHSA-N 317.561 6.674 30 10 DKEE C#CCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2053266198 RIZCVXXZHCWEPP-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](c1ccc(C)cc1)C(C)C 2070134777 QLPOIELYOXASIU-JOCHJYFZSA-N 320.480 5.466 30 10 DKEE FC(F)c1cc(OC(F)(F)F)cc(SC(F)(F)F)c1 2081027526 OPDSLZOQAPMMDU-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE C=CCCCCCCNCCc1cc(Cl)sc1Cl 2085840661 AGCSHZUVXANWAI-UHFFFAOYSA-N 306.302 5.324 30 10 DKEE C[C@@H](Nc1cccc(Br)c1C#N)C1CCCCCC1 2116849458 FNXZPFFBJCKEKB-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE C=CCCCC[C@@H](Cc1c(Cl)cccc1Cl)NCC 2123081045 SAXXLCVNSDPWHO-ZDUSSCGKSA-N 300.273 5.260 30 10 DKEE C=C1CC(CC(=O)c2ccc3cc(Br)ccc3c2)C1 2125716278 XHFAFFPZOXUKBC-UHFFFAOYSA-N 315.210 5.141 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(Br)cc1C 2141915128 YISFKBCIKXTFDB-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE N#C[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CCC2(CCCC2)C1 2155222904 KWPOEAJXCYIJJI-SWLSCSKDSA-N 308.252 5.961 30 10 DKEE CCCCCCCCCC[C@@H](O)c1c(Cl)ncn1CC 2175342744 JZUQLVMVUJLGFE-CQSZACIVSA-N 300.874 5.121 30 10 DKEE C=C1CC(C[C@@H](CSc2ccccc2Cl)NCCC)C1 2182157213 DQWSGYRCXYSFRG-HNNXBMFYSA-N 309.906 5.157 30 10 DKEE C=C(c1ccccc1)[C@](C)(O)c1cc(Cl)cc(Cl)c1F 2197150013 JQDWNTIAVORLEV-INIZCTEOSA-N 311.183 5.053 30 10 DKEE C[C@@H](Nc1cc(F)c(Cl)cc1Cl)c1ccc(C#N)cc1 2203781540 KXXDCVUCILWXMT-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCCCCCNc1ccc(Br)c(C)c1 2220095196 ZKWZSGJRPGFMPR-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE CCCCCCCCC[C@H](O)c1cccc(Br)n1 2221582921 IJGLRFZQIZSUJV-AWEZNQCLSA-N 314.267 5.018 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Cl)cc1Cl 2227287438 PMHGFCOPOBMTHF-MRXNPFEDSA-N 300.273 5.910 30 10 DKEE FC(F)(F)Oc1ccc(SC[C@H](CS)CC2CC2)cc1 2235920279 WVGBMRIKUMDXBI-NSHDSACASA-N 322.417 5.023 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(C)c(Br)c1C 2259181536 GSOLFWVDNFLBBV-UHFFFAOYSA-N 309.247 5.385 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1c(C)cccc1Br 2271784322 DJCOUXATZTZBJF-MRXNPFEDSA-N 324.306 5.545 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1cc(Cl)sc1Cl 2273968239 VTHFENVSVXWPMY-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE CCCCCCCCC[C@@H](O)c1csc(C(C)(F)F)n1 2289392612 XXBQCYHOSZDBTK-CYBMUJFWSA-N 305.434 5.429 30 10 DKEE CCCCCCCC[C@H](CC(C)(C)SC)OCCCN 2293718206 UNPMNNFHWFSWFO-MRXNPFEDSA-N 303.556 5.003 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(C(F)(F)F)cc1Cl 2297630846 BEFXHNJVUZYPSB-UHFFFAOYSA-N 310.702 5.255 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1sccc1Br 2304025708 VIYPCEUYLPTMQK-KGLIPLIRSA-N 316.308 5.154 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1sccc1Br 2304025710 VIYPCEUYLPTMQK-ZIAGYGMSSA-N 316.308 5.154 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cc(Cl)c(Cl)c(Cl)c1 2321097071 YCHLMNWMZFPEBU-KGLIPLIRSA-N 306.664 5.639 30 10 DKEE CCOc1ccc(Cl)cc1C=CC(=O)c1cc(C)ccc1C 2322617414 ADFKWZDHCQQVAK-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(Cl)cc1 2330252035 SSKBYUCZNLLUEL-UHFFFAOYSA-N 308.208 5.324 30 10 DKEE CCCCCCC[C@@](C)(Sc1cccc(Cl)c1)C(=O)O 2353867080 ISLFIUCAZKLEQJ-MRXNPFEDSA-N 314.878 5.636 30 10 DKEE CCCN[C@H](C#Cc1cccs1)c1cc2sccc2s1 2363705851 GOOOSIVHYTXWLR-CYBMUJFWSA-N 317.504 5.117 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2364044453 WDGVAVOBYKWQJC-CQSZACIVSA-N 304.739 5.161 30 10 DKEE CC(C)c1ccc([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)cc1 14462604 KPGTYSGPBBTJDK-NNMXDRDESA-N 314.432 5.508 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H](C)Cc1cccs1 94582166 OPBSMANOSBTTRA-OAHLLOKOSA-N 313.576 5.127 30 10 DKEE CCCC(CS)(CCC)CO[C@H]1CCCc2ccccc21 94583794 DSNJIVUZSQKNEV-SFHVURJKSA-N 306.515 5.597 30 10 DKEE C=CCn1c(-c2ccccc2)cs/c1=N/c1cc(C)ccc1C 102962733 TXFYRJPEVDJEDO-QZQOTICOSA-N 320.461 5.252 30 10 DKEE CCCCCCC[C@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C 109810450 MZBOULCBEGJSMC-LPHOPBHVSA-N 309.925 6.376 30 10 DKEE C=CC[C@H](CCCCCCC)O[C@H](CC=C)CCCCCCC 114184563 SABMUAGPYXBHDI-FGZHOGPDSA-N 322.577 7.613 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)c1sccc1C 122729193 QHZQNFXGLVBUKF-QGZVFWFLSA-N 310.551 5.872 30 10 DKEE CCSc1cccc(Sc2ccc(F)c(F)c2)c1C#N 136991919 OMTFITNZGDFVBZ-UHFFFAOYSA-N 307.390 5.100 30 10 DKEE N#Cc1cc(Nc2ccc(Cl)cc2F)ccc1C(F)(F)F 164436915 AHTCPHXLSWCHES-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Oc1cccc(Cl)c1F 167123703 WCIIGPFSDCSOCS-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE C=CCCCS[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 172215462 ACEFUNPXCGMSMZ-JTQLQIEISA-N 318.269 5.020 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@@H]1C[C@H](C)Sc2sccc21 216893888 QAMBHGOJNJTVTK-BJOHPYRUSA-N 318.442 5.105 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Cl)ccc1Cl 233543595 JZKDTVSLYJCPMP-INIZCTEOSA-N 300.273 5.781 30 10 DKEE Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)c(C#N)c1 235542757 YGLSIERLBQZWEY-NSHDSACASA-N 305.208 5.347 30 10 DKEE Cc1cc(Cl)c(N=C2N[C@H](C(C)(C)C)CS2)cc1Cl 393993675 VWRQLEJBQPXPFO-LBPRGKRZSA-N 317.285 5.040 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Br)oc1C 396482787 YDSNWAFYONICRC-CQSZACIVSA-N 316.283 5.362 30 10 DKEE N#C[C@@H](CSc1cc(Cl)ccc1Cl)C1CCCC1 397247916 HTYVUVOTHHDYMD-NSHDSACASA-N 300.254 5.415 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](c1ccco1)c1ccc(Cl)s1 398060459 GYUDSXPVWLLXMA-WBMJQRKESA-N 309.862 5.418 30 10 DKEE CC(C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698854222 DJNCXCJYWUBXGW-QGZVFWFLSA-N 322.836 5.020 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(Br)c1 709384386 IDLJPUWYZPUEPH-CPUCHLNUSA-N 322.290 5.235 30 10 DKEE CC(C)c1ccc(C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)cc1 1772798219 IGZUVAGWRGKWKM-UHFFFAOYSA-N 312.262 5.078 30 10 DKEE C[C@](O)(CC#CC1CCCCC1)c1cc(Cl)ccc1Cl 1919580068 XOLWJAAPRMUWDM-KRWDZBQOSA-N 311.252 5.175 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@@]1(C=O)CCCC(C)(C)CC1 1939897692 CBXJCAVYNPXBDQ-WIYYLYMNSA-N 316.485 5.405 30 10 DKEE C=C(COCc1ccccc1)[C@H](O)CCCCCCCCCC 1978675113 AEAPAFLGUUNPKD-OAQYLSRUSA-N 318.501 5.651 30 10 DKEE C=C(CSc1ccc(C(C)C)cc1)B1OC(C)(C)C(C)(C)O1 1992167636 NURGJKOGEUUXJP-UHFFFAOYSA-N 318.291 5.090 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(C)c(Br)c1 2043821468 QLLHCWCYQMZGJG-INIZCTEOSA-N 312.295 5.292 30 10 DKEE CCc1cc(OC(F)(F)F)c(C(F)F)cc1C(F)(F)F 2060350542 CZBDWMAPBDAOLG-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCCC(C)(C)C2)cc1Br 2112230545 DCZZFXAPSSYTCV-QGZVFWFLSA-N 320.274 5.410 30 10 DKEE C=CCCCCCC[C@H](NCC)c1ccc(Br)cc1 2113426149 FGXPVVIYEBUHHZ-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE N#Cc1cc(F)c(Oc2ccc(Cl)cc2Cl)cc1Cl 2120886604 CUDXECJMRXZPMM-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE C=CCCCCCC[C@@H](O)Cc1ccc(Cl)cc1Cl 2141910587 ZMOFYBRIDHMAAY-OAHLLOKOSA-N 301.257 5.423 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccc(SC)s1 2149705858 XRLNCRPLVUVWQW-HNNXBMFYSA-N 313.576 6.261 30 10 DKEE N#Cc1ccc(Nc2ccccc2SC2CC2)c(Cl)c1 2158411671 HFYYVNXREMAZQV-UHFFFAOYSA-N 300.814 5.210 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1cc(Cl)ccc1Cl 2164478884 BWIYBEDLFLAEIU-JKSUJKDBSA-N 314.256 5.311 30 10 DKEE CC(C)c1ccc([C@@H](C#N)C(=O)c2ccsc2Cl)cc1 2176404074 KZADHYHWERFNEC-CQSZACIVSA-N 303.814 5.015 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cc2sccc2s1 2196170308 XDQIFBXQIDTSCJ-AWEZNQCLSA-N 305.512 5.587 30 10 DKEE C#CC[C@H](C)C[C@H](NCC)c1ccc(-c2cccs2)s1 2205875889 BMXXBBFPCFGZKM-KBPBESRZSA-N 303.496 5.177 30 10 DKEE COc1cc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)ccc1C#N 2213701270 RMRUYUBZZMHVNK-MRXNPFEDSA-N 322.452 5.008 30 10 DKEE C=C(Cl)C[C@H](Cc1cccc(Cl)c1Cl)NCCC 2220273763 JATUJAQFJGCBQL-GFCCVEGCSA-N 306.664 5.047 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(N)cc1Cl 2271582090 NGHBSALXZFZQSM-UHFFFAOYSA-N 318.313 6.194 30 10 DKEE C=C1CCC(C[C@H](NCC)c2csc(Cl)c2OC)CC1 2284269931 SCKJKRIETJRPCX-AWEZNQCLSA-N 313.894 5.197 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1cc2sccc2s1 2292800394 TYNHCWLSFOJFQM-ZDUSSCGKSA-N 309.500 5.116 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CCCC3=N[C@@H](C)c1ccccc1 2297730427 RJSFOOKMRMBWIY-HNNXBMFYSA-N 302.421 5.363 30 10 DKEE C=CCCCCC[C@H](NC)c1csc(C)c1Br 2303633743 IFAFVGQKXXEUGI-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CCCCCCCCCCCOCC(Br)=C(C)C 2317996826 BVVLPQDXIBQGMK-UHFFFAOYSA-N 319.327 6.223 30 10 DKEE Cc1ccn2c(N=Nc3ccccc3C#N)c(C(C)C)nc2c1 2320768791 MLNUCOPEZSXFMV-UHFFFAOYSA-N 303.369 5.053 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC[C@H](C)CC(=O)OC 32176412 AOKUBKCGRXTZDV-VZRKHXGSSA-N 320.517 5.765 30 10 DKEE CCCCCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 83204803 HLMIILLQZRKXKM-VGOFMYFVSA-N 312.384 5.291 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@](C#N)(Nc2ccc(Cl)cc2)CC1 86959617 PDRTVIJOGSICMZ-KDOFPFPSSA-N 304.865 5.641 30 10 DKEE CCCC(CS)(CCC)Cn1ccnc1-c1ccccc1 94587832 ZVZWCMIIXLAYSL-UHFFFAOYSA-N 302.487 5.067 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc2cccc(Br)c2o1 97283361 KDSQFZUYORMHDP-CQSZACIVSA-N 322.246 5.202 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cc(C)cc(Cl)c1 122635348 OFEDKWNLPWBISC-GOSISDBHSA-N 310.913 5.684 30 10 DKEE C[C@H](Nc1cc(C#N)ccc1Cl)c1cc2ccccc2s1 126628357 IYFZJOJMPWZSMF-NSHDSACASA-N 312.825 5.599 30 10 DKEE C=C/C=C/C/C=C/C[C@@H]1O[C@@H]1CCCCCCCCCCC 140044705 MNOQVNSRLYAHLG-AITLNAOHSA-N 304.518 6.753 30 10 DKEE N#Cc1ccc(Nc2ccc(C(F)(F)F)cc2Cl)cc1F 160508808 WFIPTBRNXKCJLD-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#Cc1ccc(Sc2ccccc2Cl)c(Br)c1 213483344 VNZMAULFZTZSTJ-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCNc1cc(F)ccc1NC(=O)OC(C)(C)C 227598842 FQBDVSMCICNGND-UHFFFAOYSA-N 324.440 5.555 30 10 DKEE C=CCNc1cc(Nc2c(C(C)C)cccc2C(C)C)nc(C)n1 243422997 MUSJMMFTYPAGMH-UHFFFAOYSA-N 324.472 5.373 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CC[C@H]2CCCC[C@H]2C1 250537157 ZCLWNHPEQRQLIR-IXDOHACOSA-N 301.499 5.736 30 10 DKEE N#Cc1ccc(Sc2ccc(Cl)cc2Cl)cc1Cl 322904913 HIOUOYIFPWSYAT-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CCCCCCCCC[C@@H](Cc1csc(Cl)c1)NCC 379000557 RWSAKZPGQIBFTK-INIZCTEOSA-N 315.954 6.063 30 10 DKEE CCC(CC)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698921991 MJKNVWGSJOXTDP-KRWDZBQOSA-N 316.445 5.065 30 10 DKEE CCCCCCCCNC(=O)CCCc1ccc(C)cc1C 1859575234 PGUCTTZVPDLBSN-UHFFFAOYSA-N 303.490 5.103 30 10 DKEE Cc1ccc(C(=O)CON=C2CCC(C(C)(C)C)CC2)cc1C 1860465091 KFKIDDNXYWGKCE-UHFFFAOYSA-N 315.457 5.095 30 10 DKEE C=CCC(CC=C)Oc1cc(Cl)cc(Br)c1 1900995322 FKHFAGTXJHZMHR-UHFFFAOYSA-N 301.611 5.002 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)Cc2ccco2)cc1Cl 1915090526 LZZVWVVCEAQSRB-UHFFFAOYSA-N 322.795 5.011 30 10 DKEE CCC[C@@H](CS)CN(Cc1ccccc1)C1CCCCC1 1932029467 UDIKAVQTEWRZFD-GOSISDBHSA-N 305.531 5.167 30 10 DKEE C=CCCCCCCCCNC[C@H](C)N(C)Cc1ccccc1 1995326047 SENQDIXNMHBHDA-FQEVSTJZSA-N 316.533 5.013 30 10 DKEE C=CCC[C@@H](C)[C@@H](N)c1cc(Cl)c(C)cc1Br 1996474459 PINAENPXLDZYQI-YMTOWFKASA-N 316.670 5.013 30 10 DKEE CC[C@@H]1CC[C@](C#N)(Cc2cccc(C)c2Br)C1 2027611702 UEJSNGKJKGVVLT-CZUORRHYSA-N 306.247 5.020 30 10 DKEE CCCCCCCCCCCCNCC1(Br)CC1 2049207313 RCRKREQEVVONRC-UHFFFAOYSA-N 318.343 5.424 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccc(SC)cc1 2070131036 KTXIIZNSKFNCCY-HNNXBMFYSA-N 324.493 5.243 30 10 DKEE C=CCCCCCCOc1cc(C)c(Br)c(C)c1 2085848855 FMDACUIVHFYLPC-UHFFFAOYSA-N 311.263 5.581 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1cscc1Cl 2142451387 WHXQLKCBOJVNQX-HNNXBMFYSA-N 300.899 5.213 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H](O)c1cc(Cl)cs1 2148586411 IQPZMILJFIEKJA-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE N#CC1(CCc2cc(Cl)cc(Cl)c2)CCC2(CC1)CC2 2176615523 QAHLEHAEEQQGMF-UHFFFAOYSA-N 308.252 5.790 30 10 DKEE CCCCCCCCCC(=O)Cc1cc(Cl)cc(Cl)c1 2197915501 WIPMKXNJPIVPOX-UHFFFAOYSA-N 315.284 6.246 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)sc1Cl 2220081737 AEIHSYZZBKBTMR-LBPRGKRZSA-N 306.302 5.971 30 10 DKEE CCCCCCCCCCCOC[C@@H](CS)CC1CC1 2239497676 GSIIWQMDJXHOGR-SFHVURJKSA-N 300.552 5.880 30 10 DKEE C=C[C@@H](C)CCN[C@@H](C)c1cc2cc(Br)ccc2o1 2273029611 AHASFDMCGRJZOY-NEPJUHHUSA-N 322.246 5.058 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(C)cc(Br)c1 2321105917 UIECKMCSLRGEKF-JKSUJKDBSA-N 310.279 5.010 30 10 DKEE C=CCC(CC=C)S[C@@H](c1ccc(Cl)s1)[C@@H](N)CC 2335196314 DTRXLJVPOIRUTH-SWLSCSKDSA-N 315.935 5.434 30 10 DKEE C=CCC(CC=C)Sc1cccc(Cl)c1[C@@H](C)NCC 2360367297 HMFRSYWNUDAMPK-CYBMUJFWSA-N 309.906 5.623 30 10 DKEE COc1ccc(/C=N/c2ccc3ccccc3c2)c2ccccc12 1228287 KTSRJUUXPPWQFL-HZHRSRAPSA-N 311.384 5.752 30 10 DKEE CCCCCCOc1ccc(C(=O)/C=C/c2ccccc2)cc1 27552968 QNINQMYDJGNXMM-LFIBNONCSA-N 308.421 5.542 30 10 DKEE CC(C)Sc1nc(-c2ccco2)cc(-c2ccccc2)c1C#N 96887899 OSGJHPCYMJWNPO-UHFFFAOYSA-N 320.417 5.381 30 10 DKEE SCCCCCCCCCSc1nc2ccccc2[nH]1 97800097 PZLGGOUUEPPMKO-UHFFFAOYSA-N 308.516 5.316 30 10 DKEE CCCCCCCCCCCCCC[C@@H](OC)C(=O)OC 100036353 IQHRUOSDBAXDKA-QGZVFWFLSA-N 300.483 5.266 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc2nc(SC)sc2c1 109790548 OUNDLWGOBBKDDE-ZDUSSCGKSA-N 322.543 6.179 30 10 DKEE CCCCCCCCCC[C@@H](CN)Cc1cccc(Cl)c1 110181227 CQTFDLFJFYVQJV-GOSISDBHSA-N 309.925 5.988 30 10 DKEE Cc1ccc(C#N)c(Oc2cc(C(C)C)c(Cl)cc2C)n1 110262504 AOCKUQFZMAUXJO-UHFFFAOYSA-N 300.789 5.139 30 10 DKEE CCCCCCCCCOc1ccc(N)cc1C(F)(F)F 112877907 BUFPMWNGOLKASO-UHFFFAOYSA-N 303.368 5.417 30 10 DKEE CCCCCCCCCCOc1cc(Cl)ccc1Cl 113291620 JFKQMDDLKQTNBU-UHFFFAOYSA-N 303.273 6.513 30 10 DKEE C=C(CNc1cc(Br)ccc1Cl)c1ccccc1 134364801 SOBRBXHNKUILAG-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(CC)s1)NCCC 161115490 HQKYPBNZWFMGFT-QGZVFWFLSA-N 309.563 5.972 30 10 DKEE N#C[C@@H](Sc1ccccc1Br)C1CCCCC1 167879196 TXASHXJXXBDBFC-CQSZACIVSA-N 310.260 5.014 30 10 DKEE O=[N+]([O-])c1ccc(-c2ccc(N=Cc3ccccc3)cc2)cc1 254400502 IJQHWDLCWZWVFK-UHFFFAOYSA-N 302.333 5.012 30 10 DKEE CCCCCCCCNC[C@H](c1ccccc1)N1CCCCC1 257662655 WTFPTUPWRKGKCA-OAQYLSRUSA-N 316.533 5.164 30 10 DKEE C=CCCCCCNc1cc(Cl)cc(Br)c1 308325241 LLYRWMCPHNRGPH-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc2cscc2s1 694330175 HTZBRXMNJFYSJR-AWEZNQCLSA-N 305.512 5.443 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)CC(C)C)cc1 710834016 UZZHKDUDSUXTDC-IBGZPJMESA-N 316.445 5.065 30 10 DKEE CCCCCCCCC[C@H](Cc1scnc1Cl)NC 722020888 ARODWVVKCYGTTK-CYBMUJFWSA-N 302.915 5.068 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(CSC)o1 1859780935 HKFGGNFGNJMUBO-UHFFFAOYSA-N 311.491 5.013 30 10 DKEE CCCCCCCCN(C)c1cc(Br)ccc1C#N 1887067655 DSVVQXNKNRPGRJ-UHFFFAOYSA-N 323.278 5.117 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)c1ccccc1Cl 1917865861 HWYMKXOENGTZCA-HXUWFJFHSA-N 315.910 5.886 30 10 DKEE CCCCCCC[C@](C)(O)c1sccc1Br 1919894116 WYBHUWUJFQGEIZ-ZDUSSCGKSA-N 305.281 5.079 30 10 DKEE CCCCCCCCOc1cccc(Br)c1F 1941131085 DKUGOLJKUCCMHL-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE CCCCCCCC[C@]1(O)CCCN(Cc2ccccc2)CC1 1976778233 COIWCVMBPUUGGH-NRFANRHFSA-N 317.517 5.154 30 10 DKEE C=CCCCCCCCCCN[C@H](C)COCc1ccccc1 1995324797 BGBFQGPNJQCTTN-HXUWFJFHSA-N 317.517 5.488 30 10 DKEE C=C([C@@H](O)c1cc(Cl)c(C)c(Br)c1)C(C)(C)C 2002244290 MAPMSTSFSMEHRQ-CYBMUJFWSA-N 317.654 5.047 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1c(Cl)cccc1Cl 2127973110 BRQKURBTNMKDCC-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CC(C)C(CCOc1ccc(C#N)cc1Br)C(C)C 2132725955 UVKFYYTWBZJOCP-UHFFFAOYSA-N 324.262 5.018 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H](O)c1sccc1Cl 2148583427 QMYDWPQABFQMBL-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE CCN[C@@H](CC#CC(C)(C)C)c1cc2sc(C)cc2s1 2156534059 VLONCIZOKLYFTO-ZDUSSCGKSA-N 305.512 5.361 30 10 DKEE C#Cc1cccc(N(CC)Cc2ccc(Cl)c(Cl)c2)c1 2179345910 XABCDYPCAVMOAK-UHFFFAOYSA-N 304.220 5.001 30 10 DKEE C=CCCCCCC[C@H](NCC)c1ncc(Cl)cc1Cl 2206898528 HXTWKZFRVDBONE-HNNXBMFYSA-N 315.288 5.566 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1nn(C)c(Cl)c1Cl 2207405230 WPPQMSXMGMAUHQ-GFCCVEGCSA-N 319.276 5.067 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1cc(Cl)ns1 2235513980 OYGGXOLTVNBZGE-CQSZACIVSA-N 314.926 5.754 30 10 DKEE CCCCCCCCCCCCC1(O)CSCCSC1 2237049782 NGSVYCPZRLVGQE-UHFFFAOYSA-N 318.592 5.509 30 10 DKEE CCCCCCCOCc1c(F)cc(Br)cc1F 2259015734 TZKGUWJAVQEJIP-UHFFFAOYSA-N 321.205 5.214 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc2cccc(Br)c2o1 2271836350 FTXUPTMIDKZVEL-CQSZACIVSA-N 322.246 5.332 30 10 DKEE Cc1cccc(NC=CC(=O)c2ccc(Cl)cc2Cl)c1C 2293270351 ZXPXTCUSJSCYNX-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1ccc(C)cc1C 2322566366 NMTNTURWPZBTJR-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCC)c1cccc(Cl)c1Cl 2335095476 BNTBWAZZOBGTGQ-RISCZKNCSA-N 318.313 5.342 30 10 DKEE C=CCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1C 2339151695 ACVNCKZYIWPOTE-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE CCCC[C@@](C)(C#N)CCc1ccc(OC)cc1Br 2339422857 XNTAQWOUVBZBFJ-MRXNPFEDSA-N 324.262 5.110 30 10 DKEE C=CCC(C)(C)[C@H](N)CCCc1cc(Cl)cc(Cl)c1 2344342073 HCDZIENLYAJIIU-OAHLLOKOSA-N 300.273 5.246 30 10 DKEE Cc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)c(Cl)c1 37334002 CHPYYZHWCSQMDK-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCOc1ccc(/C=C2\Oc3ccc(C)cc3C2=O)cc1 39842347 CJQXCNMWCVHTKM-ZHZULCJRSA-N 322.404 5.180 30 10 DKEE CCCCCCCCc1ccc(-c2ccc(C(=O)OC)cc2)cc1 100299521 AUWGAMLDMWCPCE-UHFFFAOYSA-N 324.464 6.043 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)cc1CNC 110092204 IEPMIZCNRRKGBP-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CC1(C)CCC[C@@H](Nc2ccc(Br)cc2C#N)CC1 132172690 MZSKSZNRKFMBGA-CQSZACIVSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Br)cn1 135356961 DRMFBLFXUUZZAQ-HNNXBMFYSA-N 314.267 5.018 30 10 DKEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)cc1Cl 227606714 BKMBLLSGQNXFDP-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1C 229130383 RTXOCTFQRJMFRM-CYBMUJFWSA-N 312.841 5.718 30 10 DKEE CCCCCCCCCCCCc1ccc(O)c(C(C)=NO)c1 254405365 ZWWDLJZZLSBGDA-UHFFFAOYSA-N 319.489 6.054 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1cc(Cl)sc1Cl 312581530 LKMINJKJHNUXGF-SNVBAGLBSA-N 317.628 5.385 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1ccc(SC(F)F)cc1 690184312 JXAPWGWYFGJLOT-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE COC(=O)c1ccccc1/N=C/C[C@@H](C)c1ccc(C(C)C)cc1 1073268841 IDFQQEGESAHJEM-CAUNFOBBSA-N 323.436 5.493 30 10 DKEE Cc1ccccc1NN=Cc1ccc2cc3ccccc3cc2c1 1084131235 ICXPMOBYVABBBD-UHFFFAOYSA-N 310.400 5.747 30 10 DKEE C=CCn1c(-c2ccccc2)c(-c2ccccc2)sc1=S 1615946586 PIGJOSVWYLXJPP-UHFFFAOYSA-N 309.459 5.799 30 10 DKEE C=CCCSc1nc(-c2ccc(OCCC)cc2)cs1 1860803143 KGLUILRCQNBFRS-UHFFFAOYSA-N 305.468 5.267 30 10 DKEE CCCCCOc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871399569 ONXGUUPHACLTAO-MOSHPQCFSA-N 322.404 5.180 30 10 DKEE CCCCCCCCNC(=O)c1cc2ccc(OC)cc2s1 1874052826 SCJJCLIRPMDQNF-UHFFFAOYSA-N 319.470 5.000 30 10 DKEE C=CCCCSCc1sc(Cl)cc1Br 1892988913 CJTSDZDPBZVSLM-UHFFFAOYSA-N 311.697 5.363 30 10 DKEE CCCCCCC[C@@H](O)c1scc(Br)c1C 1922984210 GARWYJIMZTZOKX-GFCCVEGCSA-N 305.281 5.213 30 10 DKEE Cc1sc(Br)cc1C(=O)C1=CCCCCCC1 1946685067 MCAYSUMVGGSWIU-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE C=C1CCC(CC(=O)c2ccc(C)c(Br)c2C)CC1 2107751919 UGTHJHAASMLMBE-UHFFFAOYSA-N 321.258 5.385 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cscc1C(F)(F)F 2158321564 VRFHAHDDUIIASM-BXUZGUMPSA-N 305.409 5.410 30 10 DKEE C=C(C)[C@@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2164213897 BNKRZUPYXSGNGH-QGZVFWFLSA-N 305.874 5.685 30 10 DKEE N#CC[C@H](Nc1cc(F)c(Cl)cc1Cl)c1ccccc1 2203758205 XMBPJRVPKWEHNG-AWEZNQCLSA-N 309.171 5.199 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@H](CS)C(C)(C)C 2217704235 JENOSPQTBDKTBS-SNVBAGLBSA-N 307.286 5.273 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1cccc(Cl)c1Cl 2231483490 LYIKSCLJHQLURP-QWHCGFSZSA-N 300.273 5.116 30 10 DKEE CC#CCCC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2234044232 SXJIPOXFYHEFMX-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE Cc1cc2sc([C@H](O)C#Cc3cccc(Cl)c3)cc2s1 2239549464 KJOAQRMXCVJCCK-CYBMUJFWSA-N 318.850 5.010 30 10 DKEE C=C(C)CCCC[S@](=N)(=O)c1cc(Cl)ccc1Cl 2259175868 IOTZTVWLIWRGPU-SFHVURJKSA-N 306.258 5.145 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322833075 AQEHWBPBOZWITA-UHFFFAOYSA-N 322.448 5.605 30 10 DKEE CCCCCCC[C@@H](NCC)c1c(Cl)sc(Cl)c1C 2336094995 ZPMOMYPVAGTQFT-GFCCVEGCSA-N 322.345 6.374 30 10 DKEE CCC(CC)(CS)COCc1cc(F)ccc1C(F)F 2363548625 SRBKCEOBYDPRRP-UHFFFAOYSA-N 306.393 5.016 30 10 DKEE C=CCC(C)(C)[C@@H](CCCc1cc(Cl)cc(Cl)c1)NC 2370541875 ZQSSHZFHWWTXKN-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE O=C1/C(=C\c2cccc3ccccc23)CSc2ccccc21 984770 PZORPLRUBLPFBE-VBKFSLOCSA-N 302.398 5.212 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C)N2 14478886 QSMQKHUGSNJSNU-NNMXDRDESA-N 317.432 5.386 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 33406204 ABBANFLTRRYSBR-BENRWUELSA-N 322.791 5.805 30 10 DKEE N#Cc1ccc(N[C@H](Cc2cccs2)c2cccs2)cc1 37212213 SCXWXURZNREVNH-MRXNPFEDSA-N 310.447 5.077 30 10 DKEE O=C(c1ccccc1)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 59518808 RWSVOIRUQOQYKQ-HYARGMPZSA-N 319.791 5.322 30 10 DKEE CCCCCCCCn1c(-c2ccccc2F)nc2ccccc21 101907686 KPLKONDSZIFYKJ-UHFFFAOYSA-N 324.443 6.203 30 10 DKEE CCCCCCC[C@H](Oc1ccccc1)n1nnc2ccccc21 102994281 CXPOICSKVKCRHE-FQEVSTJZSA-N 323.440 5.369 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccccc1Br 103949612 AMVTWRFUEBFQCD-MRXNPFEDSA-N 312.295 5.374 30 10 DKEE CCCCCCCCCNCc1cc(Br)cs1 105839670 RGUXBNVJCPUNAF-UHFFFAOYSA-N 318.324 5.351 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1cccc(Cl)c1 109720711 ISJKPKUNJMCTOE-LJQANCHMSA-N 309.925 6.521 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)c1ccc(C#N)cc1Cl 110258492 BIEBIDCUOOYBDB-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccc(F)cc1Cl)NC 112899202 KTFKEFPBUWYFNB-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE Cc1ccc(Sc2cc(Br)ccc2C#N)c(C)c1 124351297 ZKLLRBPSZDZYQA-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCC[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1 126234735 UDLSZGYDJMJWSV-INIZCTEOSA-N 302.780 5.304 30 10 DKEE C[C@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(C#N)s1 134836203 ZCNMNHSGJONFGY-SJCJKPOMSA-N 316.445 5.197 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H]1CCCc2sccc21 139533830 BECXKRIDRNBGFR-WMZOPIPTSA-N 307.547 5.897 30 10 DKEE C=CCCCCCNc1cc(Br)ccc1Cl 236033707 XIDOGIAJQOLECT-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE CCCCCCCCOc1ccc(Br)c(Cl)c1 313536940 SLTDFCPJKAPNMS-UHFFFAOYSA-N 319.670 5.842 30 10 DKEE C[C@H](Nc1cccc(F)c1C#N)c1c(Cl)cccc1Cl 400909582 RFJXQRHPOFGYHP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C#CCCCCCOc1ccc(Br)cc1C(C)C 686685484 HRRHTSPQTQXGSY-UHFFFAOYSA-N 309.247 5.145 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(F)c(Cl)c1F 689642792 GNRGCAIHCCISAK-AWEZNQCLSA-N 304.808 5.792 30 10 DKEE CSc1c(CC#N)cc2sccc2c1SC(F)(F)F 725318276 BUFUPNSYYNLPNW-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C[C@H](CCS)CCSCc1ccccc1Br 1902031639 BXXXEYFYLNPSRP-LLVKDONJSA-N 319.333 5.028 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)ccc1OC(F)F 1919621034 QCIDKMDVBCKEJH-CYBMUJFWSA-N 306.780 5.335 30 10 DKEE C=C([C@H](O)c1ccc(-c2cccc(Cl)c2)s1)[Si](C)(C)C 1922990027 QJSZCDPHUUVGAM-INIZCTEOSA-N 322.933 5.536 30 10 DKEE C=CCCCCC(=O)c1ccc(Br)cc1Cl 1984509760 DRAHZHXDDJUDAF-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(NC(=O)OC(C)(C)C)cc1 1984516649 PFFIFDDVLBUPEQ-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE C=C(C(=O)c1cc(Cl)c(C)c(Br)c1)C(C)(C)C 2002242042 JRQOIIXNBPQQGB-UHFFFAOYSA-N 315.638 5.196 30 10 DKEE C=CCCCCCCC(=O)c1scc(C)c1Br 2026012959 SEZBMOKMMZHGMD-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE C=CCCCCCCOc1cc(Br)ccc1F 2026016534 FEVLMYIYDZSXOV-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE C=CC1(CNCc2c(Cl)ccc(Cl)c2Cl)CCC1 2049024284 DTMBXZNVYQDXRD-UHFFFAOYSA-N 304.648 5.093 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](c1ccccc1C)C1CC1 2070132511 AIVKQRPZTOHCKF-QFIPXVFZSA-N 318.464 5.220 30 10 DKEE CCCCC[C@@](C#N)(CC)Nc1ccc(Br)cc1 2073343633 XVYRFLXFCZJROZ-OAHLLOKOSA-N 309.251 5.114 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1csc(Cl)c1 2154482690 ADDHEZSBGJRHAE-INIZCTEOSA-N 315.954 6.583 30 10 DKEE CCCN[C@@H](CC#CC1CCCCC1)c1ccsc1Cl 2164276710 QDGDLKKFHITIIW-INIZCTEOSA-N 309.906 5.416 30 10 DKEE N#C[C@@]1(Cc2cccc(Cl)c2Cl)CCCCC12CCC2 2173617957 FYENFRXTYQCEBC-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE C=C(Cl)CO[C@H]1CCCCCCCCCC[C@H]1NCC 2178552726 YXJZNWNPHZXFTA-SJORKVTESA-N 301.902 5.017 30 10 DKEE CC(C)(F)[C@H]1CCCN(CCCCCCCCCS)C1 2178834933 QGWBWTLWEJLAQP-INIZCTEOSA-N 303.531 5.107 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(Cl)c(F)c(Cl)c1F 2200734957 YMNPYRLECVXPTD-WCBMZHEXSA-N 319.182 5.156 30 10 DKEE CCCCC#CC[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2203952674 XPDBKSYSDRROFX-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(F)c(Cl)c1F 2206884619 IINKSOOWWWVPCI-CQSZACIVSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1ccc(Cl)cc1Cl 2206893681 CFBWNPZOKCHCFU-INIZCTEOSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCCC[S@](=N)(=O)c1cccc(Cl)c1 2207378373 SJMLHZBAWIJUBG-FQEVSTJZSA-N 313.894 5.662 30 10 DKEE C=CCCCCCCC[C@@H](NCC)[C@H](C)OCc1ccccc1 2211147051 VMYIIIJDVMBECE-PZJWPPBQSA-N 317.517 5.487 30 10 DKEE C=C(F)C[C@H](NCCC)c1sc(C)c(Br)c1C 2213746247 HPWHIPINLAYOLX-NSHDSACASA-N 320.271 5.041 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1scc(Br)c1C 2213776373 ZMDRFGBRGHMUFM-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE C=C[C@H](CCCCC)OCc1ccc(F)cc1Br 2223291929 VITALCCJXMLGPW-CQSZACIVSA-N 315.226 5.240 30 10 DKEE CCCCCCCCCOc1cc(Cl)c(N)cc1Cl 2230983945 QLWPYRJBKWGFBT-UHFFFAOYSA-N 304.261 5.705 30 10 DKEE CCCCCCCCCOCc1ccc(Cl)nc1Cl 2231025820 OKYJQFRRKMFEPZ-UHFFFAOYSA-N 304.261 5.656 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2236298357 DEBRTBVWXJKMFF-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCCCCOc1cc(Cl)c(CN)cc1F 2239487169 NLIPQGPRMBOZQK-UHFFFAOYSA-N 301.833 5.067 30 10 DKEE C=C(C)CCCCn1ccc2cc(OCc3ccccc3)ccc21 2250148041 UHTQLMAJNPKUTK-UHFFFAOYSA-N 319.448 5.967 30 10 DKEE Cc1cc(Br)ccc1S[C@@H]1C[C@H](C)CC[C@@H]1C#N 2257002502 WUZZPAHHUJTQNT-IXPVHAAZSA-N 324.287 5.178 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1C 2270981517 KBOXCBPWPADFED-INIZCTEOSA-N 300.273 5.828 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(C)c(Br)c1 2271792403 USESLAGYEOGCRH-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCCCCC[C@H](C)NCCC1SCCS1 2278240652 QHBBVRUIESXTAJ-HNNXBMFYSA-N 303.581 5.301 30 10 DKEE CCCCCCCCC[C@H](O)c1sc(Cl)cc1OC 2278289974 IIUSUTDARZGQNO-LBPRGKRZSA-N 304.883 5.584 30 10 DKEE C=CCCCCCCCSCCNCCc1cccs1 2287071875 VQVCVNYITBCPSL-UHFFFAOYSA-N 311.560 5.140 30 10 DKEE CCCCCCCCC[C@H](C)N[C@@H](C)CSC(C)(C)C 2295691339 KQUYWHDWLGLVPF-IRXDYDNUSA-N 301.584 6.025 30 10 DKEE C=CC[C@H]1CCC[C@@H]1Nc1nc(Cl)c(Cl)cc1Cl 2315465996 REQRDPDFXNVIHC-KWQFWETISA-N 305.636 5.199 30 10 DKEE C=CCC(C)(C)CN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353047934 MNDKRURUAAPEGY-LBPRGKRZSA-N 300.273 5.555 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cc2cscc2s1 2364084223 RYLRLGOCZVRYOR-QGZVFWFLSA-N 305.512 5.772 30 10 DKEE Cc1c([C@@H](C#N)Nc2ccc(F)cc2)ccc(Cl)c1Cl 2366018155 CHUSSOYFVMJWSK-CQSZACIVSA-N 309.171 5.118 30 10 DKEE C=C([C@@H](NCCC)c1ccc(C)cc1SC)[Si](C)(C)C 2368137840 MGNGAXFEZIBYEH-QGZVFWFLSA-N 307.579 5.191 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2377320615 FGIZOTIWIDSOKM-OAHLLOKOSA-N 314.231 5.128 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)cc1 37344135 UOTFVJLDKJVBJA-ZDUSSCGKSA-N 318.203 5.046 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(F)c(F)c1 37766242 WVMJDHQIBGRXIW-LBPRGKRZSA-N 305.393 5.416 30 10 DKEE CC(C)(C)[C@@H](CS)COc1ccc(Cl)c2ccccc12 94584847 FEQGTBNVJXLHNZ-GFCCVEGCSA-N 308.874 5.464 30 10 DKEE SCCCCCCCCCN(Cc1ccsc1)C1CC1 97799367 XEDRDIIYQDCWNK-UHFFFAOYSA-N 311.560 5.373 30 10 DKEE CCCCCCCCNCc1ccc(OCCCC)c(OC)c1 100048760 CTCSRVLJELEMIF-UHFFFAOYSA-N 321.505 5.324 30 10 DKEE CCCCCCCCCOc1ccc(Cl)cc1[C@H](C)NC 110096359 HLWSNJDBWHTTTG-HNNXBMFYSA-N 311.897 5.750 30 10 DKEE Cc1ccc(Oc2ccc(C(F)(F)F)cc2C#N)c(Cl)c1 110263099 BWOMRAPOIJSVEQ-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCCCCCC[C@@H](CNCC(C)C)c1ccccc1Cl 118863609 NJSYQPZRADCHFO-KRWDZBQOSA-N 309.925 6.030 30 10 DKEE C=C/C=C/C/C=C/C[C@H]1O[C@@H]1CCCCCCCCCCC 140044999 MNOQVNSRLYAHLG-KKFLYWLWSA-N 304.518 6.753 30 10 DKEE CCCCCCCCCCCCC(=O)COCc1ccccc1 221510837 IAOLWUGYLXZLGJ-UHFFFAOYSA-N 318.501 6.083 30 10 DKEE C=CCSc1ccccc1N[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 226976634 RHKZLZWRCCBQOE-LJHODMEESA-N 301.499 5.591 30 10 DKEE CCCCCCCCC[C@H](O)[C@H]1SCCS[C@@H]1CC 228096693 GLDZJWNCOSWNIN-ARFHVFGLSA-N 304.565 5.115 30 10 DKEE CCCCCCCC[C@@H](NC)c1cscc1Br 229834283 LKOKVBMSTATVRL-CQSZACIVSA-N 318.324 5.522 30 10 DKEE Clc1ccc(C=Nc2ccc3c(c2)[nH]c2ccccc23)cc1 252636152 XFIYCSJXXBHJSK-UHFFFAOYSA-N 304.780 5.725 30 10 DKEE C(=Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1 255974970 GSKGVYBLHSNQOJ-UHFFFAOYSA-N 323.399 5.290 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)([C@H](C)c2ccc(Br)cc2)C1 317350572 SXLFDRGWLJMYIV-CKEIUWERSA-N 323.274 5.338 30 10 DKEE C=CCCC[C@@H](C)N[C@H]1CCOc2c(Cl)cc(Cl)cc21 398053406 CFQDYXJMQITQRN-ABAIWWIYSA-N 314.256 5.151 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)CC(C)C)c1 698468586 IVMJLKXKUDXGHT-IBGZPJMESA-N 316.445 5.065 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)C(C#N)(CC(C)C)CC(C)C 698852258 CTFPJTNIBLVVIQ-UHFFFAOYSA-N 324.509 5.234 30 10 DKEE CCCCCCC1(C#N)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 712722769 BKCRBOVQYSSEMB-MCPYQZEQSA-N 320.477 5.029 30 10 DKEE C=C1CCC(CNCc2sc3ccccc3c2Cl)CC1 724446417 IIQFFGSOTDRITA-UHFFFAOYSA-N 305.874 5.391 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cc(Cl)sc2Cl)CC1 724601811 FUSKCCMZDVBBOK-ZDUSSCGKSA-N 318.313 5.842 30 10 DKEE CCN(CC)c1ccc(C=Nc2cccc3ccccc23)c(O)c1 1084373199 JYQPMZBHXYICBY-UHFFFAOYSA-N 318.420 5.142 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(F)c(Cl)c1 1892438995 IVYNLBXNBHXEBB-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE CCC[C@H](CS)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1931998155 IAGXSIZAUIMPAO-WMZOPIPTSA-N 307.547 5.269 30 10 DKEE C=CCCCCCC(=O)c1sc(Br)cc1C 1978470784 QUGYIJFMGBNXHT-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc(Cl)c(Cl)s2)CCC1 2049037860 NFQVLFQLLXOADP-LLVKDONJSA-N 304.286 5.452 30 10 DKEE Cc1cc(C)c([C@@H](C)n2nc(C(C)C)c(C#N)c2Cl)cc1C 2079140410 LQVJILPGXAIKJL-CQSZACIVSA-N 315.848 5.066 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(Cl)sc1C 2098409410 WBOXGDAEFNCHDB-OAHLLOKOSA-N 301.927 6.241 30 10 DKEE CC(C)C(CCNc1ccc(C#N)c(Br)c1)C(C)C 2132740487 MNBQWPTWADIBHV-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE C=CCCCCCC[C@H](NC)c1cccc(Cl)c1Cl 2141919588 ALGYVJNIZKATBG-HNNXBMFYSA-N 300.273 5.781 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1scnc1Cl 2142446056 MINZVSNJSYUABY-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE C=C([C@H](NCCC)c1cc(F)c(F)cc1Cl)[Si](C)(C)C 2168652471 BDIPELCGRZTUCV-HNNXBMFYSA-N 317.883 5.093 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cc2cscc2s1 2173640905 ZBFJWMSGDBKHOY-GDBMZVCRSA-N 305.468 5.106 30 10 DKEE C=C1CC(C[C@H](CSc2ccc(Cl)cc2)NCCC)C1 2182157583 HVAVFMDQWBRIKC-MRXNPFEDSA-N 309.906 5.157 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1ccc(C(F)(F)F)s1 2206886831 VJBVKBNBVYMDHQ-CQSZACIVSA-N 305.409 5.467 30 10 DKEE C=CCCCCCCCCC(=O)c1ccc(Cl)cc1Cl 2207426276 ZKBQOCHJCYCVTI-UHFFFAOYSA-N 313.268 6.483 30 10 DKEE CCCCCCCCCOCc1cncc(Br)c1 2223230782 VXOKXGDVGFHQNX-UHFFFAOYSA-N 314.267 5.111 30 10 DKEE CCCC(CCC)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234052601 ADQPGJQAMYRJPS-CQSZACIVSA-N 312.240 5.386 30 10 DKEE C=CCCCCCCCN(C)Cc1csc(C(F)F)n1 2235771234 QLXZOEQXUHDOAY-UHFFFAOYSA-N 302.434 5.039 30 10 DKEE C=C1CC(C[C@H](NCC)c2cc(Cl)c(OC)cc2Cl)C1 2281521662 AFZKDXNRUOROQN-HNNXBMFYSA-N 314.256 5.009 30 10 DKEE CN(CCCCCCCS)[C@@H]1CCC(F)(F)CC1(C)C 2294776470 RGXYTPSUSOZUQM-CQSZACIVSA-N 307.494 5.013 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)cc(Cl)c1Cl 2321225478 QBFCAKOMJCPUMJ-KGLIPLIRSA-N 307.648 5.673 30 10 DKEE Cc1ccc(NCCCCC(C)(C)C#N)c(Br)c1C 2336627138 QPJICJDKXPYBEW-UHFFFAOYSA-N 323.278 5.198 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2c(Cl)cc(F)cc2Cl)CC1 2340802009 VKDBUJPHSGIPTI-SECBINFHSA-N 301.188 5.452 30 10 DKEE Cc1ccc(O)c(/C=N/c2ccc3c(c2)oc2ccccc23)c1 6477921 PXQIDMSMZQNMTR-CIAFOILYSA-N 301.345 5.351 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Sc1cc(Cl)ccc1Cl 37154543 TVQOVUXYQUOEOI-MFKMUULPSA-N 300.254 5.558 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1ccccc1C(F)(F)F 37937324 OBWKWISGZVKSNE-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE C[C@@](C#N)(CCOc1ccc2ccccc2c1)c1ccccc1 57715566 NVSHPRIKSUIJCQ-NRFANRHFSA-N 301.389 5.090 30 10 DKEE CCCCCCCC(=O)c1ccc(OC)c(Br)c1 59211594 QNHJCENMRHVDML-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CCCCCCCCCCCCCC[C@@H](C)c1ccccc1 78774339 ZUXDORPHXZKYTN-OAQYLSRUSA-N 302.546 7.881 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(Br)cc2)C1 87972685 PICIWXUOQHLPMD-CJNGLKHVSA-N 306.247 5.102 30 10 DKEE ClC1=C(/C=N\c2ccccc2)CCC/C1=C/Nc1ccccc1 100060412 OQLQDSZUBLCILN-FZLSBBGYSA-N 322.839 6.062 30 10 DKEE CCCCCCCCCCN[C@@H](C)c1ccc(Cl)s1 104015590 XFTWJXVQRBWHGE-AWEZNQCLSA-N 301.927 6.193 30 10 DKEE Cc1ccc(Nc2ccc(C#N)cc2Cl)cc1Br 110259365 FDWJMMQTZZCECC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cc(Cl)ccc1C 122702315 FIJJOYURWCAXKL-SFHVURJKSA-N 310.913 5.684 30 10 DKEE Cc1cc(Cl)c(N[C@H](C)c2ccc(C#N)cc2)cc1Cl 128120398 JVHLSRAAUVQZCS-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C[C@H](NCc1ccccc1C(C)(C)C#N)c1ccc(Cl)s1 183020012 GIRJDCCSOIBVGD-LBPRGKRZSA-N 318.873 5.053 30 10 DKEE Cc1ccc(C#Cc2cnc(-c3ccc(Cl)cc3)s2)s1 196640360 LCMCYECBCFAULM-UHFFFAOYSA-N 315.850 5.233 30 10 DKEE Cc1ccc(Br)cc1Oc1ccc(C#N)c(Cl)c1 228333596 KXIRZNJWPNUCDN-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCCCCNCCCCCSC 232935784 PXFBTBXVJCHTGZ-UHFFFAOYSA-N 301.584 6.030 30 10 DKEE CCCCCCCC[C@H](NCC)c1scc(C)c1Cl 232960974 YQBHYBXLJRRERY-AWEZNQCLSA-N 301.927 6.111 30 10 DKEE C[C@@H](Nc1ccc(F)cc1C#N)c1cccc(Cl)c1Cl 235242908 PWZFEPZOZUAMES-SECBINFHSA-N 309.171 5.177 30 10 DKEE Cc1cc(C)c2nc(NN=C3CCCc4ccccc43)sc2c1 254632321 UEEAGCQGMFFQIH-UHFFFAOYSA-N 321.449 5.066 30 10 DKEE CCCCCCCCCC[C@@H](COCc1ccccc1)NC 395641407 YGQQUXUITUQYIO-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE CC[C@@H](C)CC(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405909472 FOBQQYNFGMMLMF-BRADTZPFSA-N 317.429 5.052 30 10 DKEE CCCCCCCN[C@@H](C)c1ccc(Br)s1 703733877 LFFYUEZGQRDUQP-NSHDSACASA-N 304.297 5.132 30 10 DKEE C[C@H](CC(C)(C)C)C[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 709236410 PUXGEJUIISRXIS-DNVCBOLYSA-N 322.493 5.132 30 10 DKEE CCCCCCC[C@H](Cc1scnc1Cl)NCCC 722023602 MOYDXJLDPGEPEP-CYBMUJFWSA-N 302.915 5.068 30 10 DKEE CC(C)(C)Sc1ccccc1/C=C\C(=O)c1cccs1 1088695847 WQUYNXSOFDCNEO-KHPPLWFESA-N 302.464 5.535 30 10 DKEE CC(C)[C@@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1901677488 OIWOPEIMRTYHIB-BEFAXECRSA-N 316.445 5.002 30 10 DKEE C=CCCCCCC[C@H](O)c1csc(Br)c1 1995207601 XJHYTNPZIGUOPQ-LBPRGKRZSA-N 303.265 5.071 30 10 DKEE C=C(C)C[C@@H](NCCC)c1sc(CC)cc1Br 2000448108 FBOJYNINBKLYGE-CYBMUJFWSA-N 316.308 5.080 30 10 DKEE O[C@H](CC#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2037472838 LWLTUMSMVQNZMZ-GFCCVEGCSA-N 303.254 5.062 30 10 DKEE Cc1ccc(-c2csc(C=Cc3ccc(C#N)cc3)n2)cc1 2040458576 GTWATHVFLDDAEI-UHFFFAOYSA-N 302.402 5.161 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](C)c1ccccc1C1CC1 2070166233 ZCNDWRORSNXUOD-MRXNPFEDSA-N 312.416 5.018 30 10 DKEE C=C(C)CC[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107936020 FQDHFUHERYDNDK-ZDUSSCGKSA-N 320.691 6.044 30 10 DKEE C=C([C@@H](NC)c1ccc(Cl)cc1C(F)(F)F)C(C)(C)C 2152953394 UBCFEESMJFAAPX-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(C(F)(F)F)cc1Cl 2179271554 PZSIFVSVXYOVIR-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCCCCC#CC[C@](N)(CC)c1ccc(Cl)c(Cl)c1 2203824480 UKWLXPGHARSMHA-QGZVFWFLSA-N 312.284 5.531 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2206899852 NRMNCYYDMIXWEE-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C=CCCCCCCCCOCc1ccc(Br)o1 2218640574 DIJABJFASAOABJ-UHFFFAOYSA-N 315.251 5.475 30 10 DKEE C=CCCCCCCCNc1ccc(Cl)c(Cl)c1F 2227270319 FIGNBUGXBHSVDZ-UHFFFAOYSA-N 304.236 6.071 30 10 DKEE CCCCCCCC[C@](C)(O)[C@@H](N)c1cc(Cl)sc1C 2240639406 FDIIXNJZNWVTKB-HOTGVXAUSA-N 317.926 5.211 30 10 DKEE C=C(C)CCCC[C@@H](N)c1sc(C)c(Br)c1C 2250168285 ZRKFSHDVOFZXBS-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE C=C(C)CCCCC[C@H](NC)c1ccc(Br)cc1 2259231301 HYMBLMMJWQATOL-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=CCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)cc1C 2286524969 PBOWXCCIDRQQKP-MRXNPFEDSA-N 315.288 5.333 30 10 DKEE CCCCCCCC[C@](C)(OCCN)c1cscc1Cl 2293449137 PHBZKFITHNCSLL-INIZCTEOSA-N 317.926 5.343 30 10 DKEE CCc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2294300077 PYUJTXVVABIJDV-UHFFFAOYSA-N 305.204 5.452 30 10 DKEE C=CCCCC[C@H](NCCC)c1nc(C(C)(F)F)cs1 2296058406 VKGDJQKIAYZAKS-LBPRGKRZSA-N 302.434 5.042 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(OC)c(Cl)s1 2340342378 YMPAJCRLKCDXDG-LBPRGKRZSA-N 301.883 5.197 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352818532 SBFZMBWMEDRGEM-NHYWBVRUSA-N 300.273 5.555 30 10 DKEE CCCCCCCc1nc2cc(Cl)c(Cl)c(Cl)c2[nH]1 2353090412 QDBSFFJOQJOLHT-UHFFFAOYSA-N 319.663 6.036 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1sc(Cl)cc1OC 2370526785 XTAKDWQUGIGATA-JKSUJKDBSA-N 315.910 5.443 30 10 DKEE C=CC[C@@H](CNC1CCC1)Cc1cc(F)c(Cl)cc1Cl 2377399084 NMKLTIQASOTQEF-LLVKDONJSA-N 316.247 5.009 30 10 DKEE CC/C(=N\O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 21520525 ANPSQUODZXPZDY-KNTRCKAVSA-N 324.207 5.161 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1Cl 37253415 UIOVYOGVUHKMCV-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCSc1ccccc1N[C@@H](c1cccs1)C1CC1 42331292 UUYIWAIJGXXPGX-QGZVFWFLSA-N 301.480 5.589 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 83193420 IEMSFBXIEKVCDQ-VGOFMYFVSA-N 308.421 5.495 30 10 DKEE CCc1ccc(C(=O)/C=C\Nc2cccc(C(F)(F)F)c2)cc1 101375543 OEYHFUURCDPZAU-KHPPLWFESA-N 319.326 5.076 30 10 DKEE CCCCCCCCCCCCNc1ccc(Cl)cc1F 110166033 LSZGHUADQLLYTP-UHFFFAOYSA-N 313.888 6.812 30 10 DKEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 110354796 LFHDOFGQOIHNJI-DVOMOZLQSA-N 307.890 5.787 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCc2cc(Cl)ccc21 127409399 GTBZQOIJBXGVFV-MRXNPFEDSA-N 315.869 5.718 30 10 DKEE CCCCCCCC(=O)c1cc(OC)ccc1Br 135417761 PXWCGKAILSFHKQ-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CSc1cccc(Nc2ccc(Cl)cc2Cl)c1C#N 136606851 UBUFIDBBSLBBHM-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE CCCCCCCCN[C@H](C)c1sc(C(C)(C)C)nc1C 159176289 MUZZIZOQYLZMTD-CQSZACIVSA-N 310.551 5.760 30 10 DKEE CCCCCCCCCCOc1c(Cl)cccc1C(=O)O 165750247 TVJLOJMMIHGCQD-UHFFFAOYSA-N 312.837 5.558 30 10 DKEE CCCCCCCCC[C@H](N)Cc1cc(Cl)ccc1Cl 167026913 BRZVXLGSHSSVNY-INIZCTEOSA-N 316.316 6.004 30 10 DKEE CCCCCCCCCCNc1nc(C)nc2[nH]c(C)cc12 169816942 OVMOQLBAHGBJPS-UHFFFAOYSA-N 302.466 5.127 30 10 DKEE CC(C)n1cc(C(=O)/C=C\c2ccc(-c3ccccc3)s2)cn1 214912359 LLTIUIMCULSSAK-NTMALXAHSA-N 322.433 5.089 30 10 DKEE CCCCCCC[C@H](NCC)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232311879 CQTSWSUYQLVVEW-OAGGEKHMSA-N 307.444 5.694 30 10 DKEE C[C@@H](Nc1ccc(CC#N)cc1)c1cccc(Cl)c1Cl 235212432 UZJWTEFUUVUTMU-LLVKDONJSA-N 305.208 5.233 30 10 DKEE CCC(CC)(CS)CSc1cc(C)c2ccccc2n1 312309938 PRVGIOSQIKMJJR-UHFFFAOYSA-N 305.512 5.372 30 10 DKEE CCC[C@@H](Nc1ccc(C#N)cc1Br)C1CCCC1 313388312 BRAZRJHIRXGZCY-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CCC1CCC(C#N)(Cc2cc(Br)ccc2C)CC1 313819465 AUKMKCOADCNAQA-UHFFFAOYSA-N 320.274 5.410 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1csc(Cl)c1 378983250 MWKCTMSVJPYFAN-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE CC/C(=N\OCc1cc(Cl)ccc1F)c1ccc(CC)cc1 821217289 DADXZBNHVGDQMY-DYTRJAOYSA-N 319.807 5.372 30 10 DKEE Fc1ccc(/C(=N/OCc2cccc3ccccc23)C2CC2)cc1 821229807 PXUZWQPAAGPGJM-XTQSDGFTSA-N 319.379 5.310 30 10 DKEE O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 1084625556 GATPHFVWEHEZOC-YFHOEESVSA-N 310.702 5.255 30 10 DKEE CCCCCCCCCCNC(=O)Cc1ccc(C)cc1C 1859577773 NGPZCTJUZISACD-UHFFFAOYSA-N 303.490 5.103 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(C)c(Br)c1C 2059121909 ZYNGKFNPBVNHDJ-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE CCc1c(OC(F)(F)F)cc(C(F)F)cc1C(F)(F)F 2060359406 IZWHEELZJNNGMW-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CCCCCCC[C@](C)(O)c1ccccc1Br 2085917512 QEMBUAPWFDJNHE-INIZCTEOSA-N 311.263 5.183 30 10 DKEE Cc1cc(CSc2ccc(Cl)c(Cl)c2)ccc1C#N 2097182175 OJZIURJCKPHMHI-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(C(F)(F)F)c(Cl)c1 2158324416 PQCQCPKCBQBGBL-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE N#Cc1cc(NC2CC[Si]3(CCCC3)CC2)ccc1Cl 2161348444 WOKZIJSOVWTMFF-UHFFFAOYSA-N 304.897 5.029 30 10 DKEE C#CC[C@H](C[C@@H](NCCC)c1cc(C)c(Cl)s1)C1CC1 2196852828 DQKZGLUYTNXCHT-HUUCEWRRSA-N 309.906 5.190 30 10 DKEE CCCCCCCCCC(=O)Nc1cc(Cl)cnc1Cl 2202440764 CUJGERIHTXVBAC-UHFFFAOYSA-N 317.260 5.468 30 10 DKEE C=CCCCCCCCC[C@@H](NC)C(F)(F)C(F)(F)F 2207428775 BWLWILFIUFOVQM-GFCCVEGCSA-N 301.343 5.079 30 10 DKEE C=CCCCCCCC[C@H](O)c1snc(Cl)c1Cl 2220085088 MZDJBAQMGSKSCL-JTQLQIEISA-N 308.274 5.400 30 10 DKEE C=CCCCCCCCNc1ccc(Br)c(C)c1C 2227271845 MHIGVBHMJDHIBN-UHFFFAOYSA-N 324.306 6.004 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cccc(Cl)c1Cl 2231540510 YRDBXYPTXADOMU-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1ccc(Cl)c(Cl)c1 2240615974 LCELXOFFRDRSOA-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE CCCCCCCC[C@](C)(N)Cc1ccc(Cl)cc1Cl 2240628937 PATJBHCPOSKKFH-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE C=CCCCCCCCSc1nc(Br)co1 2245873411 UYSPHCVOEYDCJP-UHFFFAOYSA-N 304.253 5.056 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Cl)c(OC)cc1Cl 2271797939 MXWRMFJQOOOZEC-CQSZACIVSA-N 302.245 5.138 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1csc(Cl)c1OC 2287410383 HEWUXIDQNRDHQQ-AWEZNQCLSA-N 315.910 5.587 30 10 DKEE Cc1cc(C)c(NC=CC(=O)c2ccc(C(C)C)cc2)c(C)c1 2296876047 SLHQJIOKUOZDTF-UHFFFAOYSA-N 307.437 5.544 30 10 DKEE C[C@H]1[C@@H]2C[C@H](C(=C3C[C@@H]4C[C@@H]3[C@@H](C)C4(C)C)C2=NO)C1(C)C 2297680983 CCDHTPVHZBYPLL-TXLQLUPRSA-N 301.474 5.127 30 10 DKEE C=C([C@@H](NCCC)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2366415027 PURXPYFINHJKJD-OAHLLOKOSA-N 318.263 5.776 30 10 DKEE CO[C@@H](CSCC1(CS)CC(C)(C)C1)C1CCCCC1 2371134332 UPDQOPYPVVGQGS-HNNXBMFYSA-N 316.576 5.051 30 10 DKEE CCCCCCCOc1c(Cl)cc(Cl)cc1C[C@@H](C)N 110518739 PDDLSCIEBAWODZ-GFCCVEGCSA-N 318.288 5.232 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc2sccc2s1 122260186 OACROFCNLBGORK-CYBMUJFWSA-N 310.532 5.608 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)[C@H]1CCCS1 130092074 JVDMGQAFPKXWMR-IAGOWNOFSA-N 300.556 5.025 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(F)c(F)c1F 158015997 QNZAPYFTUKIBAU-HNNXBMFYSA-N 301.396 5.505 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc2c(s1)CCSC2 158175579 FELUQGKALLYLHZ-OAHLLOKOSA-N 311.560 5.549 30 10 DKEE N#CC1(Cc2ccc(Br)s2)CCCCCCC1 158881824 RNJNHFDNFVJSRK-UHFFFAOYSA-N 312.276 5.307 30 10 DKEE N#C[C@@H](CNc1c(Cl)cc(F)cc1Cl)C1CCCCC1 397211913 XNOCQLOMPHVECM-NSHDSACASA-N 315.219 5.264 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1c(Cl)cccc1Cl 400857312 LJHDEKJWCIYAQF-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C#CCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 686701594 VVIFLLLJBIPHFH-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE N#CC1(Cc2ccc(Br)c(F)c2)CCCCCCC1 721911862 QNZOVDNNKFHMOK-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE C=C1CCC(C[C@H](CSc2cccc(Cl)c2)NC)CC1 724590633 YSTJPMXVFNLXNZ-MRXNPFEDSA-N 309.906 5.157 30 10 DKEE CCCCCCCCC(=N)NC(=O)Nc1ccc(Cl)cc1 1615944338 RLXRRKAQWDCDEQ-UHFFFAOYSA-N 309.841 5.189 30 10 DKEE C=C(C)Cn1c([C@@H]2C[C@@H]2c2ccccc2Cl)nc2ccccc21 1873515053 DWABDDPNNOJWDY-HZPDHXFCSA-N 322.839 5.537 30 10 DKEE CC1(C)CCC[C@](C)(Nc2ccc(Br)cc2C#N)C1 1877822628 IZMTWUSSWCFISR-INIZCTEOSA-N 321.262 5.092 30 10 DKEE CCCCC[C@H](CC)N(C)c1ccc(Br)cc1C#N 1879294661 LHADWCBLJCAOHX-HNNXBMFYSA-N 323.278 5.116 30 10 DKEE CCCCCCCC[C@H](O)c1cc(C)c(Br)o1 1917606685 RWNHLXVRANFULC-LBPRGKRZSA-N 303.240 5.135 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)C(CC)(CC)CC 1978586363 IGNKAMXPTKDXBU-FQEVSTJZSA-N 317.517 5.344 30 10 DKEE C=CC1(CCc2ccc(Br)c(F)c2F)CCC1 2002623939 ZLYCRWIVOIETFY-UHFFFAOYSA-N 301.174 5.016 30 10 DKEE CC#CCCCC[C@H](NC)c1ccccc1OCc1ccccc1 2019498173 NEIIQFLDISSWCA-NRFANRHFSA-N 321.464 5.110 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCCC2(C)C)cc1Br 2032102481 AJWKLGXICRSXDX-INIZCTEOSA-N 306.247 5.020 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1ccc(F)cc1Br 2045998230 QYGCXRYLQZAOMW-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE C=CCC[C@@H](C)C[C@H](NCC)c1cccc(Br)c1 2050516980 CZWFQOPQFWSECY-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE N#CC1([C@H](O)c2cc(Cl)c(Cl)s2)CCCCCCC1 2098751779 KIVJQAZGCWEHRD-GFCCVEGCSA-N 318.269 5.343 30 10 DKEE N#CC1(Cc2cc(Cl)ccc2Cl)CCC(F)(F)CC1 2128469749 YJEJHHWNLSMSOV-UHFFFAOYSA-N 304.167 5.255 30 10 DKEE C=CCCCCCC[C@@](N)(CC)c1ccc(Br)cc1 2141914104 OJQVDJYRSYTELS-KRWDZBQOSA-N 324.306 5.540 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H](O)c1ccc(Cl)s1 2148582289 KJZJJIUHAQBWNU-BBRMVZONSA-N 317.926 5.164 30 10 DKEE CC(F)(F)[C@H]1CCCN(CCCCCCCCCS)C1 2159201183 CMYNOYAJCRRIFY-HNNXBMFYSA-N 307.494 5.014 30 10 DKEE C=CCCCC[C@@H](NCCC)c1c(F)ccc(Cl)c1F 2179683983 ZKOUTVHTHVQBGR-CQSZACIVSA-N 301.808 5.405 30 10 DKEE C=C(c1ccccc1)[C@@](N)(CC)c1ccc(Cl)c(Cl)c1 2197148057 DHNJJUCZWONEFD-KRWDZBQOSA-N 306.236 5.271 30 10 DKEE C=CCCCCCCCC(=O)CSc1ccccc1Cl 2235527140 RXRMARNWYJGAGP-UHFFFAOYSA-N 310.890 5.918 30 10 DKEE CCCCCCCCCC[C@H](O)c1cocc1Br 2258144862 BEVQRUBQYSIJLB-HNNXBMFYSA-N 317.267 5.606 30 10 DKEE CCCCCCCC[C@H](OCCCN)c1ccc(Cl)o1 2293412543 CSHVEKGZDBUNEV-AWEZNQCLSA-N 301.858 5.090 30 10 DKEE Cc1scc(C(=O)C2=CCCCCCC2)c1Br 2303606817 RGEBSUBADVLVHP-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE Cc1cc(C)c(/C=N/c2sc3c(c2C#N)CCCC3)c(C)c1 59459992 FKFPWCZVKBGBQW-SRZZPIQSSA-N 308.450 5.174 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1ccc(SC(C)C)cc1 83193118 ILLULGYHZFOKPZ-CMDGGOBGSA-N 302.464 5.453 30 10 DKEE Cc1c(Cl)cccc1N/C=C\C(=O)c1ccc(C(C)C)cc1 103029995 IKUCQOJROVEWBH-QXMHVHEDSA-N 313.828 5.580 30 10 DKEE C=CCSc1ccccc1NCc1c(Cl)cccc1Cl 109900903 MWACONFHVUQQSI-UHFFFAOYSA-N 324.276 5.884 30 10 DKEE CCCCCCC[C@@H](Cc1cccc(C(F)(F)F)c1)NC 116722870 MMRFLKDEUBDVPL-INIZCTEOSA-N 301.396 5.196 30 10 DKEE N#Cc1ccc(Br)cc1Sc1ccc(Cl)cc1 124348477 DVEJHMOSHPMPES-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CC(C)c1cc(Br)ccc1OCCCCCS 136492560 YBUUDVGRXDGOQL-UHFFFAOYSA-N 317.292 5.051 30 10 DKEE CCCc1ccc(Nc2ccc(C#N)cc2Br)cc1 213226487 LXZPJBLBCJTFOD-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE C=CCSc1ccccc1N[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 226976622 RHKZLZWRCCBQOE-FNHZYXHNSA-N 301.499 5.591 30 10 DKEE CCCc1ccc(Oc2ccc(C#N)c(Br)c2)cc1 228202182 MTDIGSGRERSBHH-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE CCCCCCCCN[C@H]1CCc2c(Br)cccc21 232939883 XEEDJEKKWMCIQQ-KRWDZBQOSA-N 324.306 5.387 30 10 DKEE CCCCCCCCCC[C@@]1(O)CCN(Cc2ccccc2)C1 381754550 DMLSSQLGHJFSIA-OAQYLSRUSA-N 317.517 5.154 30 10 DKEE CCCCCCCCCCN[C@H](C)CCOCc1ccccc1 389960144 HLAUYSNYDBUTOY-HXUWFJFHSA-N 319.533 5.712 30 10 DKEE C=CCCC(C)(C)Cn1c(S)nc2ccc(Cl)c(C)c21 709425483 STVGGTSFFVMHON-UHFFFAOYSA-N 308.878 5.279 30 10 DKEE C#CC[C@@H](CC(=O)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887417360 NFKUJFLYSIHKJO-JTQLQIEISA-N 315.627 5.269 30 10 DKEE C#CCN(Cc1ccccc1)Cc1c(C)cc(C(C)(C)C)cc1C 1914500438 FTRZIEXFAVKTTR-UHFFFAOYSA-N 319.492 5.236 30 10 DKEE CCCCCCCCCCCCOCCNCc1ccccc1 1914651442 PUQKYGHVXZZCAE-UHFFFAOYSA-N 319.533 5.714 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@@H](C)NCCC)cc1 1914962771 VIJPDHKODNZAKI-LJQANCHMSA-N 322.496 5.330 30 10 DKEE C[C@@H](N(Cc1ccccc1)CC1(CS)CCC1)C(C)(C)C 1931998064 GYUNRRODCGMOAV-MRXNPFEDSA-N 305.531 5.023 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1scc(C)c1Br 1996469201 HGOZCGVJTBINJS-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=CCC[C@H](C)[C@H](O)c1cc(Cl)c(C)c(Br)c1 2002244402 NPOKLHMZMVECAS-XPTSAGLGSA-N 317.654 5.047 30 10 DKEE C=CCCCCCCN(C)Cc1ccccc1Br 2085848665 CPQMTYKEAJSCSB-UHFFFAOYSA-N 310.279 5.017 30 10 DKEE C#CCCCC[C@@H](NCCC)c1ccsc1C(F)(F)F 2173470639 KSRZVRQNUJRFFJ-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc2sccc2s1 2205535018 VOYZWNKCHAVTTF-INIZCTEOSA-N 310.484 5.316 30 10 DKEE CCCCCCCC[C@H](C)N[C@H](C)c1ccc(Cl)s1 2231938845 CKDAJJREFSWOAN-UONOGXRCSA-N 301.927 6.191 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(C(F)(F)F)cs1 2235519294 OKHSJWOFZJNWRI-CYBMUJFWSA-N 306.393 5.717 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)c(Cl)cc1OC 2264366405 HWLVJKQPCWOOEF-UHFFFAOYSA-N 303.229 5.545 30 10 DKEE C=C(C)CCCCOc1ccc(Cl)c([N+](=O)[O-])c1Cl 2271784587 GJKVHQCZNVTRCL-UHFFFAOYSA-N 304.173 5.027 30 10 DKEE CCCCCCCC[C@@H](NCC)c1csc(Cl)c1OC 2284273484 NFDZBSUTFSVMTK-CQSZACIVSA-N 317.926 5.811 30 10 DKEE C=CCCCCC[C@@](C)(OCCCN)c1ccc(Cl)s1 2292902332 IFVARQXNINGHFD-MRXNPFEDSA-N 315.910 5.119 30 10 DKEE CCCCCCCCC(=O)c1nc(C(F)(F)F)c(C)s1 2295497260 HGJJSJIUELWMND-UHFFFAOYSA-N 307.381 5.404 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339147839 ALGXXJSMRLNHQW-BDJLRTHQSA-N 300.273 5.555 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2344344010 RACNSPXKOKDIOB-HOTGVXAUSA-N 300.273 5.636 30 10 DKEE CCCCCC#CCC(=O)CCc1cc(Cl)cc(Cl)c1 2366871715 HRFNSDPZFPIUPH-UHFFFAOYSA-N 311.252 5.469 30 10 DKEE N#C[C@]1(CCCCC(F)(F)C(F)(F)F)CCC(F)(F)C1 2368111992 WJOPBSWFVAPVMI-SECBINFHSA-N 305.237 5.074 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(C)s1)[C@@H]1CC=C[C@@H]21 20689568 AZXFEKFCTPYYHC-NBQZKYEYSA-N 323.461 5.448 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](n2nc(C)c(Cl)c2C)C1 50586668 IXDMBLSGRSIYCV-SOUVJXGZSA-N 307.869 5.071 30 10 DKEE CCCCCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 83204773 SJCSUYOSSNSZKL-XNTDXEJSSA-N 308.421 5.460 30 10 DKEE CCCC(C#N)(CCC)Sc1ccc(Br)cc1 97241642 PYPKSXVKHDETMC-UHFFFAOYSA-N 312.276 5.404 30 10 DKEE C=CC[C@@H](CC)c1cc(Br)ccc1Br 107509997 FJEKGEUBBBVXNT-SECBINFHSA-N 318.052 5.281 30 10 DKEE CCCCCCCCOCc1cc2ccccc2nc1Cl 110113430 NDNQWYFDILPXTH-UHFFFAOYSA-N 305.849 5.765 30 10 DKEE CCCCCCCCCCCCN(CC)C[C@H](C)C(N)=S 110270931 UBKAPVOUXBGRHE-KRWDZBQOSA-N 314.583 5.151 30 10 DKEE CCCCCCCCCc1nnc([C@H](CC)NCCC)s1 116085989 DJZSYUHGBCISCE-HNNXBMFYSA-N 311.539 5.282 30 10 DKEE N#CC1(Cc2cc(F)cc(Br)c2)CCCCCCC1 158877675 BSBIISVYVSLGNQ-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE CCCCCCCCC(=O)c1cccc(F)c1Br 164748546 HLJDVIBCGYOORB-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE CCCCCCCCCC[S@@](=O)c1c(N)cccc1Cl 165590853 UVSJZNTXROURNG-FQEVSTJZSA-N 315.910 5.171 30 10 DKEE Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(-c3ccc(F)cc3)o1)O2 213999089 RXKGDEYEFGYMPO-YBFXNURJSA-N 320.319 5.010 30 10 DKEE N#Cc1cccc(Nc2ccc3cc(Br)ccc3c2)c1 227625176 IPWPDTIVCYOTGP-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(C(F)(F)F)nc1Cl 232926066 YZUYONAZVOEVTG-LLVKDONJSA-N 309.759 5.148 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(Cl)c(Br)c1 236055492 BCKKJYGGGWCFHM-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3ccc(F)cc3)ccc21 252605121 GFYLWPOKNGJBTA-UHFFFAOYSA-N 316.379 5.704 30 10 DKEE C[C@H](/N=C(/O)C[C@@H]1CCCCN=C1O)c1ccc2ccccc2c1 328769049 IJAFVNRMSQCIDR-KSSFIOAISA-N 324.424 5.004 30 10 DKEE CC[C@H](C)N(CCCCCCCCCS)Cc1ccccc1 387368717 FMYUUUWECCUXSE-IBGZPJMESA-N 321.574 5.948 30 10 DKEE CCCCCCCCCC[C@@H](CCCSC)NCCC 401655348 MUKCSGWRSCWSOA-SFHVURJKSA-N 301.584 6.029 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H](C)OCc1ccccc1 404433238 GDXVTDOOLKRLBM-UYAOXDASSA-N 305.506 5.320 30 10 DKEE C=CCC1(NCc2cc(-c3cccs3)cs2)CCCC1 690729952 CVIAWYQLQLAIOI-UHFFFAOYSA-N 303.496 5.455 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(Cl)c(F)c(Cl)c3)C[C@@H](C1)C2 697333937 QKKSLBRRHMDYPB-FOSCPWQOSA-N 314.231 5.679 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)CC1CCCCC1 698419997 RTWABZQZMDAZAK-KXBFYZLASA-N 322.493 5.275 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1 1874622120 NBFLONHJVYFXKA-OVCLIPMQSA-N 322.448 5.669 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1ccc(OCc2ccccc2)cc1 1899864011 JRWYZFUJJVGZHX-UWJYYQICSA-N 309.453 5.128 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cccc(SCC)c1C#N 1914536940 JIGKAHCXPYEXOI-UHFFFAOYSA-N 322.477 5.253 30 10 DKEE Cc1cc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)nc(C)c1C#N 1946841865 ITEYYHRYEJAQOL-KRWDZBQOSA-N 321.468 5.011 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC(C)(C)C(C)(C)C1 1976762640 CLYNFLZEECXOIP-CQSZACIVSA-N 322.493 5.131 30 10 DKEE Cc1cc(Br)c(C(=O)C2=CCCCCCC2)s1 2000212404 WBQAYGMHFMKBAE-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE CCCCCCCCOCc1sc(Br)nc1C 2011863984 AQXYOTZAKNORDR-UHFFFAOYSA-N 320.296 5.091 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cscc1Br 2013606216 BHKASGABDRXONR-LLVKDONJSA-N 316.308 5.154 30 10 DKEE CCCCC[C@@H](CC)Nc1cc(Br)ccc1C#N 2073349800 GLQIPKLYOPKRHN-CQSZACIVSA-N 309.251 5.092 30 10 DKEE CC1(C)CC[C@]1(C#N)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2131991062 FFCJKTWZPAZVHX-OCCSQVGLSA-N 318.631 5.010 30 10 DKEE CSc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)s1 2149707308 JMQPCINREHZJAH-UHFFFAOYSA-N 314.460 5.132 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(-c2cccs2)cs1 2164070905 UXAJZJGKDUPBAG-OAHLLOKOSA-N 307.528 6.098 30 10 DKEE C#CCCN(Cc1cc(Cl)cc(Cl)c1)C1CCCCC1 2197954866 GSTSUXJEEJCPHM-UHFFFAOYSA-N 310.268 5.151 30 10 DKEE CC(C)(C#N)CCCCNc1cc(Cl)c(F)c(Cl)c1F 2200734572 WTDSZYWMAUEIHA-UHFFFAOYSA-N 321.198 5.404 30 10 DKEE C=C1CC([C@@H](NCCC)c2ccc(Cl)c(Cl)c2OC)C1 2203430722 NEGNEYIHOOARIA-OAHLLOKOSA-N 314.256 5.009 30 10 DKEE C=CCCCCCC[C@H](CSc1cccc(Cl)c1)NC 2206899123 KKQASJBLHOIUTA-MRXNPFEDSA-N 311.922 5.547 30 10 DKEE C=CCCCCCCCCCSc1ccc(Cl)cc1N 2207402402 BTDVOPDZNDDNIN-UHFFFAOYSA-N 311.922 6.321 30 10 DKEE C=CCCCCCCC[C@H](N)c1cscc1C(F)(F)F 2235513103 HZOYIJAMYSFHCW-AWEZNQCLSA-N 305.409 5.683 30 10 DKEE C[C@@H](CC(=O)[C@H](C#N)c1cccc(Cl)c1Cl)C(C)(C)C 2235756213 IOPHQCWPBHOXMA-CMPLNLGQSA-N 312.240 5.242 30 10 DKEE C#CCCCC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2235757886 VHLOZWXPIOYQHF-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE C=C[C@@H](CCCCC)OC[C@H](N)c1cc(Cl)ccc1Cl 2239510555 NVLDKDYGCJFBRY-BBRMVZONSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCCN(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2244628159 ZMYYAJJLWLMFLW-UXHICEINSA-N 315.501 5.049 30 10 DKEE N#CC1(Cc2c(F)cccc2Br)CCCCCCC1 2273937337 RIBJSZXJORMMTP-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE CCCCCCCC[C@H](NC)c1sc(Cl)cc1OC 2278265442 BXOJFJNVTKJTCX-LBPRGKRZSA-N 303.899 5.421 30 10 DKEE CCN[C@H](CC=CC#CC(C)(C)C)c1ccc(SC)s1 2284111003 HCPYQPVUGNOVAD-CQSZACIVSA-N 307.528 5.116 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(Cl)c(Cl)cc1C 2284809068 GJOBVPVTDKFVSC-INIZCTEOSA-N 317.304 5.557 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1c(Cl)cncc1Cl 2287413221 IIVNWYCLJMKFRI-HNNXBMFYSA-N 315.288 5.566 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(Cl)cc(F)cc1Cl 2360402846 UTISDSBIPUUGQV-OAHLLOKOSA-N 321.263 6.307 30 10 DKEE Cc1ccsc1/C=N/c1cc(Cl)c(Cl)cc1Cl 584358 KNCUFEXMTLEXDZ-OMCISZLKSA-N 304.629 5.767 30 10 DKEE Cc1ccc(C(=O)/C=C\c2cc3cc(C)ccc3nc2Cl)cc1 33932294 RWMDFIJCFKTGHG-NTMALXAHSA-N 321.807 5.401 30 10 DKEE CSc1ccc([C@H](C)Nc2cc(Cl)ccc2C#N)cc1 36954351 AVHFNDXMELJTLF-NSHDSACASA-N 302.830 5.107 30 10 DKEE CC(C)(C)[C@H]1CCC[C@H](Nc2cc(Cl)ccc2C#N)CC1 86955642 KZDCGNUXVAFHBX-HOCLYGCPSA-N 304.865 5.619 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1cc(Cl)ccc1OC(C)C 96887958 SIQGXXUZZXKGCQ-FNORWQNLSA-N 320.841 5.393 30 10 DKEE CCC(CC)N(CCCCCCCCCS)CC(C)C 97799512 OWEMTWMNHDTOGD-UHFFFAOYSA-N 301.584 5.794 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(Cl)cc1Cl)NC 109724918 SYHRVCQJAYYRSB-MRXNPFEDSA-N 316.316 5.875 30 10 DKEE CCCCCCCC[C@H](O)c1cc(OC)c(OC)cc1Cl 115859912 GGGBWQLVESVDDN-HNNXBMFYSA-N 314.853 5.141 30 10 DKEE CCCCCCCC[C@@H](NN)c1c(Cl)cccc1Cl 122394551 RFHNEXSAZYBUEQ-CQSZACIVSA-N 303.277 5.248 30 10 DKEE CCCCc1ccc(OC[C@H](CS)c2ccccc2)cc1 126533394 UQVOQXZRAFMGNH-GOSISDBHSA-N 300.467 5.122 30 10 DKEE Cc1cc(Nc2cc(Br)ccc2Cl)ccc1C#N 133448179 XQWMFJWTFOXFQT-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@H](N)c1c(F)cc(Br)cc1F 158209689 TVXCNILMFPVDOE-ZDUSSCGKSA-N 320.221 5.088 30 10 DKEE CC(C)c1ccc(Oc2cc(Br)cc(C#N)c2)cc1 227633586 ASKVAQQYKRANJX-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCCCCC[C@H](Cc1nccs1)NCC 228733149 IFCHORXMDCYTAY-QGZVFWFLSA-N 310.551 5.585 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(Cl)ccc(F)c1F 312448301 CGTYQRLMISROTC-CQSZACIVSA-N 303.824 5.759 30 10 DKEE SCC1(CSc2ccc3ccccc3n2)CCCCC1 380448473 FEHAHGIYAXRHFG-UHFFFAOYSA-N 303.496 5.207 30 10 DKEE C=CCCCCN[C@@H](C)c1cc2cc(Br)ccc2o1 388853194 AJKNMLIIFATGFQ-LBPRGKRZSA-N 322.246 5.202 30 10 DKEE Cc1ccc(Oc2cc(C)cc(Br)c2C)c(C#N)c1 686556370 PJSVMHZZEDIXDI-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1ccccc1Br 686680995 DADMIQUBXGALMK-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCCCCCCCCN1CCc2cc(Br)ccc21 713347808 QPBFMAZRIUYSNC-UHFFFAOYSA-N 324.306 5.562 30 10 DKEE CCCCCC#CC[C@H](O)c1ccccc1OCc1ccccc1 2024345961 AGLAMJRXTPPEAW-NRFANRHFSA-N 322.448 5.273 30 10 DKEE SCC1(CSCc2ccc(Cl)o2)CCCCCC1 2028948980 NKSUKDOHNODUAL-UHFFFAOYSA-N 304.908 5.437 30 10 DKEE O=C(C=C(O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 2042453185 BTQOPXGBPPSXPM-UHFFFAOYSA-N 324.379 5.775 30 10 DKEE FC(F)c1cc(Cl)c(OC(F)(F)F)cc1C(F)(F)F 2054949113 HPPWURCPFDKQPI-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CCc1c(C(F)F)ccc(OC(F)(F)F)c1C(F)(F)F 2060351558 QSRMJVJBHQMAPP-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(C)c(Cl)s1 2109074802 KOLYEPJDQLJRLT-ZDUSSCGKSA-N 302.915 5.355 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H](O)c1sccc1Cl 2148596457 ROKUJCXYYGGKPY-HUUCEWRRSA-N 317.926 5.293 30 10 DKEE CSc1cccc(Nc2cc(C)c(Cl)cc2C)c1C#N 2154455821 JVTWTFPFJZMRBS-UHFFFAOYSA-N 302.830 5.294 30 10 DKEE C=C1CC(CNCC(C)C)(Cc2cccc(Cl)c2Cl)C1 2159587111 MGWCRWCSEJJONS-UHFFFAOYSA-N 312.284 5.118 30 10 DKEE C=C1CC(CCc2cc(Cl)cc(Cl)c2)(CNCCC)C1 2159595544 TZIPAICOMIHFEQ-UHFFFAOYSA-N 312.284 5.262 30 10 DKEE C=CCCCCCCCCCNc1cc(Cl)ccc1Cl 2207412472 GUTMZAPOHCZKGE-UHFFFAOYSA-N 314.300 6.712 30 10 DKEE CCCN[C@H](C#CC(C)(C)C)c1scc(Cl)c1Cl 2218434609 GTAQQLMXSSECPM-LLVKDONJSA-N 304.286 5.145 30 10 DKEE C=CCCCCCCC[C@H](NN)c1c(Cl)cccc1Cl 2235538137 GWTBPGBULHGOHH-HNNXBMFYSA-N 315.288 5.415 30 10 DKEE C=C(C)CCCC[C@H](NC)c1c(C)cccc1Br 2259196971 RPLNNGPGEQMDFM-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE CCCCCCCOc1cc(Cl)sc1CN[C@@H](C)CC 2288289278 CCDLLWCBSDZTHI-ZDUSSCGKSA-N 317.926 5.639 30 10 DKEE CCCCCCC[C@@H](OCC(=O)O)c1cc(C)c(Cl)s1 2291935301 YQVFMUSNNOGYJW-GFCCVEGCSA-N 318.866 5.213 30 10 DKEE CCCCCC#CC[C@@H](O)c1sc(C(F)(F)F)cc1C 2295010315 BZMKPCNYDYDKRQ-GFCCVEGCSA-N 304.377 5.083 30 10 DKEE OC1=CC(=Nc2ccc(Cl)cc2Cl)C[C@@H](c2ccco2)C1 2297747178 HRXVWWQGQYBLSD-SNVBAGLBSA-N 322.191 5.678 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1sc(Br)c(C)c1C 2304124313 CNBKFVAAHFJXLH-OCCSQVGLSA-N 317.292 5.153 30 10 DKEE C=CCC(CC=C)C[C@@H](NCC)c1cccc(Br)c1 2338667767 UFTZTMFWYLJKOE-QGZVFWFLSA-N 322.290 5.258 30 10 DKEE CCCCCCCC[C@H](N)c1cc(F)c(Cl)cc1Cl 2349793192 UNLWOKNZBVMYEZ-HNNXBMFYSA-N 306.252 5.883 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2349849055 ZMCWAFIDGYOMKA-MEBBXXQBSA-N 304.236 5.385 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(Cl)cc(Cl)c1F 2362233826 AZJYILNARXXOEK-FIXISWKDSA-N 316.247 5.528 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1C 2364445005 BRJIRLUAJXUFDX-MRXNPFEDSA-N 317.300 6.476 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 2377338054 SDUPYGZNCKOYLC-SNVBAGLBSA-N 315.215 5.698 30 10 DKEE CCC(C)(C)C1C/C(=C\c2ccco2)C(=O)/C(=C/c2ccco2)C1 3895387 PXFMSLCKOSVPKO-WXUKJITCSA-N 324.420 5.755 30 10 DKEE Cc1ccc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)c(C)c1 12524245 KUKILXNQQJEDDT-DKNDRJFASA-N 304.437 5.317 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl 44268583 ASYHHTWCYXOKIA-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1 59055567 JIDDRXZYDXNNFO-ZDUSSCGKSA-N 302.289 6.005 30 10 DKEE Cc1ccc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2c1 64438631 NRUVZQCOXLAPNV-UHFFFAOYSA-N 301.393 5.282 30 10 DKEE C=CCc1ccc(-c2cc(-c3ccc(CC=C)cc3)on2)cc1 90735519 WQAYTAFZABFYLA-UHFFFAOYSA-N 301.389 5.466 30 10 DKEE CCCCCCCCCCCCCCc1ccc(NN)cc1 103004566 UVPCQMYUZHGMRA-UHFFFAOYSA-N 304.522 6.216 30 10 DKEE CCCCCCCCCC[C@@H](Cc1nc(C)cs1)NCC 109742819 KHUWCKXXKDPRBO-KRWDZBQOSA-N 310.551 5.503 30 10 DKEE CCCCCCC[C@@H](O)c1cc(C)c(Br)cc1C 112336923 LPBRODKAJHHHOW-MRXNPFEDSA-N 313.279 5.460 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(C)c(Cl)cc1C 112343560 DQBRLRXLGDMKOG-LJQANCHMSA-N 309.925 6.358 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc(F)ccc1Cl 127626363 FGVZHCHDJDZXQA-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCC[C@H](N)Cc1sccc1Br 163169462 IECDXYRUXRIHMM-LBPRGKRZSA-N 318.324 5.131 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(Cl)c(OC)c1 229774621 YHYXZTGBERFFNS-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE N#Cc1cc(Cl)ccc1N=Cc1c(Cl)cccc1Cl 254555017 QAYKJTRIFDZVFP-UHFFFAOYSA-N 309.583 5.269 30 10 DKEE N#C[C@@H](c1ccc([N+](=O)[O-])cc1Cl)c1cccc2ccccc12 256090969 CJDWJRUDBMXCEW-QGZVFWFLSA-N 322.751 5.057 30 10 DKEE CCCCCCCCCC[C@H](N)c1coc(Br)c1 385949546 IDNSSIYIYMBZCE-AWEZNQCLSA-N 316.283 5.573 30 10 DKEE Fc1cccc(-c2cc(OC(F)F)cc(C(F)(F)F)c2)c1F 514255141 USFBHNFCUCNIFB-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE CC/C(=N\OCc1cccc(Cl)c1)c1ccc(C(C)C)cc1 821218557 XUESZKPXLJNAIK-XUTLUUPISA-N 315.844 5.794 30 10 DKEE CC1(C)CC(NCc2ccccc2)=C/C(=N/c2ccccc2)S1 1615199493 LBBWJGWPXGSFDF-QOCHGBHMSA-N 322.477 5.306 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@H](C)CCCCN[C@H](C)CC 1901762187 KREFWXBKWBFRIW-WOJBJXKFSA-N 316.533 5.012 30 10 DKEE CCCCCCCCCN(C)C1CC(OCc2ccccc2)C1 1990779423 RVPANRCCBKUURT-UHFFFAOYSA-N 317.517 5.417 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccccc1OCc1ccccc1 2026016787 HUFTYNNCNQURJC-OAQYLSRUSA-N 323.480 5.792 30 10 DKEE COc1ccc2cc(C=CC(=O)c3ccc(F)cc3F)ccc2c1 2040454194 KWPWWVVFOKDWOU-UHFFFAOYSA-N 324.326 5.023 30 10 DKEE N#C[C@@]1(Cc2ccc(Br)cc2Cl)CCCC12CC2 2053366187 QFJWVJMQRCZYMV-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1cc(F)c(Cl)cc1Cl 2138944534 FLAJWTTXWNTWGH-RNCFNFMXSA-N 301.192 5.017 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(Cl)sc1Cl 2142449643 BYSHZEGEKSIYOW-CYBMUJFWSA-N 321.313 6.395 30 10 DKEE CCCCCCC[C@@H](N)c1cccc(SC(F)(F)F)c1 2154636376 ABYOAOIEBWHSKX-CQSZACIVSA-N 305.409 5.659 30 10 DKEE CCCCCCCCOc1nc(Cl)c([C@H](C)NCC)s1 2155322688 VIEUXORBMOQCBK-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ccc(Cl)cc2Cl)CC1 2181633197 AFUSKFLVPGKSOJ-GFCCVEGCSA-N 311.252 5.949 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1cc(Cl)cs1 2207430959 ZTPGNIRUYZZJOJ-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE C=C(C)C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2254726736 NAXOFSIRVYRQPZ-MRXNPFEDSA-N 310.279 5.189 30 10 DKEE CCCC#C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265970316 ZOCRKJNPXQVZSN-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE C=CCCCCCCCS[C@H](CN)c1ccccc1Cl 2287095787 DBNNXPQODGAUNN-QGZVFWFLSA-N 311.922 5.600 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1cc(Cl)ccc1Cl 2289713656 SASKBZXQVMMAND-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE C=CC[C@@H](C)Sc1cc(NCCC)c([N+](=O)[O-])cc1Cl 2360207999 LNLCBYMHODGWMR-SNVBAGLBSA-N 314.838 5.127 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1ccsc1C(F)(F)F 2364082953 HYJUXGIHJBIRML-CYBMUJFWSA-N 303.393 5.186 30 10 DKEE CCCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1C)NC 2364271849 NFGPZHBFCSXQMP-OAHLLOKOSA-N 316.316 5.793 30 10 DKEE C[C@H]1CC(N(C)CCCCCCCCCS)C[C@H](C)S1 2365598266 PUVLIPJKZNNRHW-HOTGVXAUSA-N 317.608 5.251 30 10 DKEE CCCCCCC[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2366931814 IYRSBYJLADUIEL-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(F)c(Cl)c1F 2370481937 INYLNXFBRRGRDD-HOTGVXAUSA-N 301.808 5.261 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cccc(Cl)c1C(F)(F)F 2370503479 KZOSLHCUYNXZJK-AWEZNQCLSA-N 304.739 5.534 30 10 DKEE Cc1ccc(N/C=C2/CCC/C(=C\c3ccccc3)C2=O)c(C)c1 5602425 IDDDKDIIOSEAKA-WOBBTWAASA-N 317.432 5.436 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)/C(=N/C(=O)c1ccc(Cl)cc1Cl)C2 6394776 ULBSAGUHLPYFKF-OTILVPNISA-N 324.251 5.421 30 10 DKEE CCC(C)(C)C1CCC(=N/N=C(/S)Nc2ccccc2)CC1 13497216 QNSVGXBALOLKTR-UHFFFAOYSA-N 317.502 5.367 30 10 DKEE Cc1cccn2c(/N=N\c3ccccc3C#N)c(C(C)C)nc12 71581643 KTJFLAHQYNZZSX-DQRAZIAOSA-N 303.369 5.053 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1c(Cl)cccc1Cl 109732999 PLVKCGSIVRJCKJ-CQSZACIVSA-N 316.316 6.004 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(F)c(Cl)c1 111764265 ZVHBETWJXGJGEM-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Br)cs1 112459246 IWMMJMGCOSJZMT-LBPRGKRZSA-N 305.281 5.295 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(C)c(Br)s1 126162260 MWCSICXFNONYLL-GFCCVEGCSA-N 319.308 5.603 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Br)cn1 135356985 DRMFBLFXUUZZAQ-OAHLLOKOSA-N 314.267 5.018 30 10 DKEE CCCCCCCCCC[C@@H](N)COc1cccc(Cl)c1 143405415 AJRIVWISVIXBQS-QGZVFWFLSA-N 311.897 5.577 30 10 DKEE CCCCCCCCCCNc1ccc(C(F)(F)F)nn1 164654183 QMORDKRSUKCIDB-UHFFFAOYSA-N 303.372 5.048 30 10 DKEE C#C[C@]1(C)CC[C@@H]2[C@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@@H]3CC[C@@]21C 248339584 TWDJAFCDZVGTEL-COMHFDOOSA-N 310.525 6.225 30 10 DKEE Cc1cccc(C=Nc2ccc(N=Cc3cccc(C)c3)cc2)c1 254816778 SDNHQEREWSGZBI-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ccc(Cl)c(Cl)c1 307899636 OLYOLQXPZPNMNZ-QGZVFWFLSA-N 317.300 6.342 30 10 DKEE COc1ccc(C#N)c(Sc2ccc(Cl)cc2Cl)c1 322776581 JULUMOQHNLTHFG-UHFFFAOYSA-N 310.205 5.025 30 10 DKEE CC#CCC[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 379703428 DMEWHHNPEBENKZ-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE CC[C@H]1CCCCC[C@@]1(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698855210 CMYFMNSHZSTEDW-LPHOPBHVSA-N 322.493 5.132 30 10 DKEE CC(C)(C)CC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698912992 YFJPFCBOLOFAQY-LJQANCHMSA-N 322.493 5.275 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)Sc1cccc(Br)c1 704940893 SQTZWCZIGGSXGO-BYCMXARLSA-N 324.287 5.260 30 10 DKEE FC(F)c1cc(C(F)(F)F)cc2sc(C(F)(F)F)cc12 725324703 RBFVPZLTXPDKMT-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE CC(C)[C@H](CC#N)N(Cc1ccccc1)[C@@H](C)c1cccs1 1915400505 RAOIZVYQYHYPOC-WMZOPIPTSA-N 312.482 5.250 30 10 DKEE C=CCCCCN[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1935999644 OVNQYIZHGIMIHK-HNNXBMFYSA-N 318.461 5.041 30 10 DKEE CCCCCCCCCC[C@@]1(O)CC[C@H]1OCc1ccccc1 1939557066 CXVJJCWZJYYTDT-NHCUHLMSSA-N 318.501 5.628 30 10 DKEE CCCCCCCNc1cccc(N(C)C(=O)OC(C)(C)C)c1 1976019231 WTVFJYBJIVICHX-UHFFFAOYSA-N 320.477 5.440 30 10 DKEE C[C@H](c1cccc(C2CC2)c1)n1nc(C2CCCCC2)cc1C#N 2070113665 ZPTMBAZYJATDJK-OAHLLOKOSA-N 319.452 5.289 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(Br)c(C)c1 2071980096 SBLFRSFLHKJRMH-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCCCCN(C)CC1(Br)CC1 2086280449 GWCYAJLCCDLHHU-UHFFFAOYSA-N 316.327 5.153 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1csc(Cl)c1 2142450072 HNHGVIXVPIOGGT-AWEZNQCLSA-N 300.899 5.213 30 10 DKEE CCN[C@H](CC#CC(C)(C)C)c1cc2sc(C)cc2s1 2156534058 VLONCIZOKLYFTO-CYBMUJFWSA-N 305.512 5.361 30 10 DKEE C=C(Cl)C[C@@H](CCCCCCCCCCCCC)NC 2177835020 HQFGISKNFTXVCS-GOSISDBHSA-N 301.946 6.418 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1cc(Cl)ccc1Cl)C1CC1 2196838240 XLLPQEXKEHBDPU-SUMWQHHRSA-N 310.268 5.084 30 10 DKEE CCCC#CC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2203792637 RCANJRAQNWDQHI-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 2234058509 RXQIEYADUONUMW-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(Cl)cc(F)c1Cl 2239693244 NPDDJLYFTJZWTC-AWEZNQCLSA-N 321.267 5.388 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccsc1C(F)(F)F 2240621943 NSQWUSWQMVMNCQ-CQSZACIVSA-N 308.409 5.725 30 10 DKEE C=C(C)CCCC[C@@H](N)c1scc(Br)c1Cl 2244639786 VBLONKNDLWNWOA-SNVBAGLBSA-N 322.699 5.300 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(Br)c(Cl)s1 2244666659 MXPRUZVNGFBWPM-JTQLQIEISA-N 323.683 5.334 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265995308 HVNTWZBMYJNBLI-KRWDZBQOSA-N 324.306 5.579 30 10 DKEE CCc1ccc(C(=O)C=CNc2ccccc2C(F)(F)F)cc1 2293215387 HEOPBWPYKAIDKT-UHFFFAOYSA-N 319.326 5.076 30 10 DKEE CC(=C[C@H]1C(C)=CCCC1(C)C)C(=O)C=Cc1cccs1 2297564126 JBPFDMURTIPODJ-KRWDZBQOSA-N 300.467 5.659 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1ccccc1OCc1ccccc1 2301065345 CNZUFBAHCNHPPM-JOCHJYFZSA-N 321.464 5.295 30 10 DKEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cc(F)c(Cl)cc21 2362207787 PSDPIWFMMGDMFO-TVQRCGJNSA-N 310.825 5.035 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1sc(C(F)(F)F)cc1C 2364082973 IHJUKPUABCYPPN-ZDUSSCGKSA-N 303.393 5.104 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1cc(-c2cccs2)cs1 2364091302 DARYXHNNPHREEL-KRWDZBQOSA-N 303.496 5.506 30 10 DKEE Cc1c(F)ccc(C[C@@]2(C#N)CCCC(F)(F)C2)c1Cl 2364762443 UJOWGCAKWXQWNK-AWEZNQCLSA-N 301.739 5.049 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1cc(C(F)F)cs1 2370522421 QEHGBBYEKVVSPC-ZBFHGGJFSA-N 301.446 5.719 30 10 DKEE Cc1ccc(-c2nc(NN=C3CCC(C)CC3)sc2C)cc1 27529340 HISMVASIZOMQJI-UHFFFAOYSA-N 313.470 5.405 30 10 DKEE N#Cc1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1Cl 37253396 OKBIQTOCLKQUBP-QGZVFWFLSA-N 317.219 5.428 30 10 DKEE C=CCC1(CC=C)C(=O)S[C@](C)(CCCCCCCC)C1=O 43450671 AGBIARLSXFYGHC-GOSISDBHSA-N 322.514 5.477 30 10 DKEE N#CCc1sc(-c2ccc(Cl)cc2Cl)nc1C1CC1 82436748 VQGAOBFVNYIUSD-UHFFFAOYSA-N 309.221 5.060 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(Br)cc2F)C1 87972768 FQYILGBRIPDWSF-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE SC[C@H](COc1ccc(Cl)cc1Cl)c1ccccc1 94582986 RDMQVLYQMIFTDD-LBPRGKRZSA-N 313.249 5.086 30 10 DKEE CCCCCCCCCCCCCCCCN1CC[C@H](CN)C1 100011580 CKKLKPLIRSJZSU-OAQYLSRUSA-N 324.597 5.748 30 10 DKEE CCCCCCCCCC(=O)OC/C=C(\C)[C@@H](C)CC=C(C)C 100300363 LWKLDLRXXYDWBR-YTVAGWOFSA-N 322.533 6.609 30 10 DKEE CCCCCCCCCC[C@H](N)Cc1ccc(F)cc1Cl 109744861 CVOQYKCBDWUQTI-KRWDZBQOSA-N 313.888 5.880 30 10 DKEE CCCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1 110451339 HAQIFNYULDFVQC-UHFFFAOYSA-N 301.352 5.395 30 10 DKEE O=C(/C=C\c1c2ccccc2cc2ccccc12)c1ccccc1 114947773 HTNKWVPCJOMMPQ-PFONDFGASA-N 308.380 5.889 30 10 DKEE CCSc1cccc(Oc2cc(Cl)cc(Cl)c2)c1C#N 136712915 YJXGEBHVGVMNKW-UHFFFAOYSA-N 324.232 5.769 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(C)c(Br)c1 158133126 FQQUCVAQCWNFLW-INIZCTEOSA-N 312.295 5.379 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1sccc1Cl 162349442 UMUROFZAHHOZPM-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CCCCCCCCNc1cnc(Cl)c(Br)c1 232945443 TYQCGYIBGNSRDO-UHFFFAOYSA-N 319.674 5.270 30 10 DKEE C[C@H](Nc1ccc(C#N)c(F)c1)c1cc(Cl)sc1Cl 307931524 WRXUQPCWROTRJP-ZETCQYMHSA-N 315.200 5.239 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 308054816 LQAYRRYAXYBXGO-BXUZGUMPSA-N 312.240 5.242 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1c(Cl)cccc1Cl 387449385 MPBBDQYKULRBNS-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2coc(Br)c2)CC1 393528756 HUROKTUSHPECOH-UHFFFAOYSA-N 324.262 5.331 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1 514260951 SPCSWELXLZTKQR-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE COc1ccc(/C=N/c2ccc(/C(C)=N\c3ccco3)cc2)cc1 1616045766 HTWJGQBFHORMPX-TZKOODLUSA-N 318.376 5.180 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1cc(F)ccc1F 1857937876 LHBLBTHBBOQFMM-LPYMAVHISA-N 311.331 5.059 30 10 DKEE CCCCCCOc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O 1871399219 FHPXTQZENRNYKC-ZHZULCJRSA-N 322.404 5.262 30 10 DKEE C=CCN(Cc1ccccc1)Cc1cc(Cl)ccc1Cl 1883398204 FWPAXURUIWSBBV-UHFFFAOYSA-N 306.236 5.182 30 10 DKEE C=CCC(CC=C)Nc1ccc(Br)c(Cl)c1 1900997155 NBUJTFXMISLESS-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)ccc1Cl)[Si](C)(C)C 1922967525 GRUXUYYWFPGZJC-OAHLLOKOSA-N 316.348 5.468 30 10 DKEE C=CCCCCC(=O)c1c(Br)sc(C)c1C 1984516704 VPSHHUYNYXHUJQ-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1scc(Br)c1C 2005345137 NWXZAWUWLNQUOX-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccsc1Br 2026020020 SWNBWNQZRGYZNF-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE C=C([C@H](NCC)c1cc(C)cc(Br)c1)C(C)(C)C 2035416978 FQKQCKYOHWTMJL-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE CCCCCCCCC(=O)c1nc(C)ccc1Br 2049922545 IQQRMJXQWIAMDZ-UHFFFAOYSA-N 312.251 5.086 30 10 DKEE CCc1cc(C(F)F)cc(C(F)(F)F)c1OC(F)(F)F 2060348069 SBCZNLOPYVLAQB-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=C(C)CC[C@H](C)NC1CC(c2cccc(Br)c2)C1 2096547453 VXNKWUSWRLHEEZ-KTAKPFMOSA-N 322.290 5.030 30 10 DKEE N#C[C@H](c1ccccc1Br)[C@H]1CCC2(CCCC2)C1 2098998673 NADNVYHEXJIBKM-ZFWWWQNUSA-N 318.258 5.417 30 10 DKEE C=C1CCC(C[C@@](C)(N)c2cc(Cl)cc(Cl)c2F)CC1 2154683815 YGBOTDKGVISYFA-MRXNPFEDSA-N 316.247 5.443 30 10 DKEE CC(C)C1CCC(C#N)(Cc2cc(Cl)cc(Cl)c2)CC1 2197919002 URXZZXCRYAUFCK-UHFFFAOYSA-N 310.268 5.892 30 10 DKEE CCCCCCCC[C@@](C)(O)c1sccc1Br 2217291810 AYWUPMYVOCYDBB-CQSZACIVSA-N 319.308 5.469 30 10 DKEE N#CC1(c2cccc(Cl)c2Cl)CC2(CCCCCC2)C1 2235757652 SUBUQQMHUNUYSQ-UHFFFAOYSA-N 308.252 5.889 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Br)c(C)c1 2271793067 ZIGRYDFMLRQOAR-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@H](N)c1cc(Cl)cs1 2295683074 XKDSSRNIGNGPKI-CVEARBPZSA-N 317.926 5.293 30 10 DKEE CCCCCCCCCOc1c(Cl)cc(CN)cc1Cl 2296257658 LSWDAGLKLGTFNR-UHFFFAOYSA-N 318.288 5.582 30 10 DKEE C=CCC(CC=C)OCc1ccc(Cl)cc1Br 2298828018 FZPNWHGJEPEUTI-UHFFFAOYSA-N 315.638 5.140 30 10 DKEE C=CCC(CC=C)Nc1cc(Cl)c(Br)cc1C 2301016241 YCBGVDJMSFBGNW-UHFFFAOYSA-N 314.654 5.344 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1sc(C)c(C)c1Br 2304122372 KOTATALGPANAJE-ZIAGYGMSSA-N 317.292 5.153 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1cc(Cl)c(Cl)c(Cl)c1 2321138583 SEJHLHBALGQCGH-ZDUSSCGKSA-N 306.664 5.510 30 10 DKEE CCC(=NOCc1cc(Cl)ccc1F)c1ccc(C)cc1 2330246394 ZDKHHOJONQNTFB-UHFFFAOYSA-N 305.780 5.118 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1C 2339012432 BGXSMWLEWDOPKW-OAHLLOKOSA-N 300.273 5.828 30 10 DKEE CCCCCCC[C@@](C)(Sc1ccccc1Cl)C(=O)O 2353866607 AQSMPNWOKJJMJG-MRXNPFEDSA-N 314.878 5.636 30 10 DKEE C=CC1(C[C@@H](NCC)c2c(Cl)cc(F)cc2Cl)CCC1 2366399142 IBGNNNGEHBKUGH-CQSZACIVSA-N 316.247 5.530 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2370486146 IGGGLOOXSKSXLM-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1ccc(-c2cccs2)s1 2370490006 HAQZRGHQVJLJTI-INIZCTEOSA-N 305.512 5.730 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377414424 WTJHOOIKMAQCAY-DGCLKSJQSA-N 318.263 5.255 30 10 DKEE N#C[C@H](C(=O)CC1CCCCC1)c1ccc(Cl)cc1Cl 37346195 ARHYOPAHJIXEFC-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE CC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 37393281 VLEPMPGJKFGOCA-MRXNPFEDSA-N 305.208 5.428 30 10 DKEE CCCCCCC[C@](CC)(CCCC)[C@@H](C#N)C(=O)OCC 100286119 WCNMOCUDNHOEHP-HKUYNNGSSA-N 309.494 5.636 30 10 DKEE CCCCCCCn1cc(CNC(C)C)c2c(C)cccc21 107022377 RAPKSJYFJQLTCT-UHFFFAOYSA-N 300.490 5.418 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H]1Cc2ccccc2S1 139532122 KZBGUKDHASMZLV-MJGOQNOKSA-N 305.531 5.432 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H]1CCCc2sccc21 139533759 BECXKRIDRNBGFR-SJLPKXTDSA-N 307.547 5.897 30 10 DKEE Cc1cc(O/C=C\C(=O)c2cccc3ccccc23)ccc1Cl 209916538 JWVVJFSFXIDZLU-QXMHVHEDSA-N 322.791 5.577 30 10 DKEE CC[C@H](C)[C@@H](C)[C@@H](C#N)Sc1ccc(Br)cc1 319711197 DWXPYZPKJJHXLH-MISXGVKJSA-N 312.276 5.116 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@]1(C#N)CCC1(C)C 698869874 UZYOAYKFLNTBCB-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CC(C)=NNc1nc2ccc(NCc3ccc(C)cc3)cc2s1 953047505 FLINWBKBPMRNLF-UHFFFAOYSA-N 324.453 5.025 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc2nc[nH]c2c1 1865984905 NVNFYBVARQLZPG-UHFFFAOYSA-N 315.461 5.422 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)CCCCC 1917946204 BWEIYBJJPHZNOH-FQEVSTJZSA-N 303.556 6.144 30 10 DKEE CC[C@@](C#N)(C1CCCCC1)N(CC(C)C)C(=O)OC(C)(C)C 1975998835 RIWVHKKPUMUCCM-LJQANCHMSA-N 322.493 5.132 30 10 DKEE C=CCC[C@H](C)Nc1c(Cl)cc(Cl)cc1Br 1993996595 JSZWLRRGGHPXSV-QMMMGPOBSA-N 323.061 5.523 30 10 DKEE C=C([C@@H](NCC)c1cccc(Br)c1C)C(C)(C)C 2035417879 JJDUQMOMBDWYLM-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=C(CC)CC[C@H](NCCC)c1cccc(Br)c1 2050513382 OQBYUBAGOUMFAI-INIZCTEOSA-N 310.279 5.236 30 10 DKEE CCCCCCCCCNc1ccc(C)nc1Br 2086284302 FXPBDITZQVZPBX-UHFFFAOYSA-N 313.283 5.315 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccsc2C(F)(F)F)C1 2157654454 OEKQNJFVFIFXAO-RISCZKNCSA-N 301.377 5.420 30 10 DKEE C=CCCCC[C@H](Cc1c(Cl)cccc1Cl)NCCC 2179681055 LJKOIEQQTQBCTF-CQSZACIVSA-N 314.300 5.651 30 10 DKEE C=CCCCC[C@H](NCCC)c1c(F)ccc(F)c1Cl 2179681334 WHEKAJNBVKESOK-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE CC#CCCC[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2194062374 CWRXZZWABVYVRJ-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE C#CC[C@@H](C[C@@](O)(CC)c1ccc(Cl)c(Cl)c1)C1CC1 2196732387 PZJJIPVGHSNYTN-GUYCJALGSA-N 311.252 5.031 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(C)c(F)c1Cl 2201705790 YXGKQGUQJYRQLE-OAHLLOKOSA-N 300.845 5.962 30 10 DKEE C=CCCCCCCCCNCc1cccc(Cl)c1Cl 2207436645 NMPVXYWTMKOBTR-UHFFFAOYSA-N 314.300 6.000 30 10 DKEE C=CCCCCCCCNCC(C)(C)N(C)Cc1ccccc1 2211147860 YXVNKAFKYMSFOC-UHFFFAOYSA-N 316.533 5.013 30 10 DKEE CCCCCCCCCOc1nc(Br)cs1 2212472298 KQQDGZSNKWQTIX-UHFFFAOYSA-N 306.269 5.035 30 10 DKEE C=CCCCCOC[C@@H](NCC)c1c(Cl)cccc1Cl 2234045157 WXMSWFCIHZPNPZ-OAHLLOKOSA-N 316.272 5.017 30 10 DKEE C=C(CC)C[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243546490 SQFOBZKBSPGBMG-INIZCTEOSA-N 318.461 5.007 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1ccoc1Br 2259196492 KIWNBBGCCKROGY-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2269340775 UPHRHDKLVJYYJX-BZNIZROVSA-N 300.273 5.555 30 10 DKEE C=C(C)CCCC[C@H](OCCC(=O)O)c1ccc(Cl)s1 2291753339 LBZFPYYHVMIQAC-LBPRGKRZSA-N 316.850 5.070 30 10 DKEE CCCCCCCCC[C@H](C)NCc1cnc(SC)s1 2295667928 CCPPAAZOVCQLCH-AWEZNQCLSA-N 314.564 5.484 30 10 DKEE C[C@H]1[C@H]2C[C@@H](CC2=C2C(=NO)[C@H]3C[C@H]2C(C)(C)[C@@H]3C)C1(C)C 2297680980 CCDHTPVHZBYPLL-OSKMXNKJSA-N 301.474 5.127 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(C)c(Br)c1C 2316714287 FRGDKLXGRUSQCD-UHFFFAOYSA-N 307.231 5.017 30 10 DKEE Brc1ccc(C#CCCCC2=CCCCC2)cc1 2318501248 YZRMMZVACJUEON-UHFFFAOYSA-N 303.243 5.471 30 10 DKEE CCCCCCCCNC(=O)C(C)=Cc1ccccc1Cl 2321199128 MZCFLYSJFIDELH-UHFFFAOYSA-N 307.865 5.220 30 10 DKEE CC(CCc1ccccc1)=NOCc1cccc2ccccc12 2329919136 CWXSVKFFFKBIFU-UHFFFAOYSA-N 303.405 5.365 30 10 DKEE CCCN[C@@H](C#Cc1cccs1)c1c(Cl)cccc1Cl 2363536460 FWQZWOGXRLSKLY-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE CCCCCCCOc1cccc(CNCC2CCCCC2)c1 100045914 KLJFZESEFANICR-UHFFFAOYSA-N 317.517 5.706 30 10 DKEE Cc1ccccc1N/N=C(/N=N/c1ccccc1)c1ccccc1 106027133 FOZZROKGPVLDMR-LNLSYTKCSA-N 314.392 5.553 30 10 DKEE C=C(Cl)COc1c([C@H](C)NC(C)C)ccc2ccccc12 110094193 IKFJGHCIXUGFSJ-AWEZNQCLSA-N 303.833 5.030 30 10 DKEE Cc1cc(Nc2ccc(Cl)cc2Br)ccc1C#N 133481342 LRINUKLXSLZVHX-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCSc1ccccc1NCc1cc(F)cc(Cl)c1 160895327 XRDDEJXPSSCFLE-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE CCCCCCCCC(=O)c1ccc(-c2cccs2)s1 220224177 ILHBMDQKXIMPBU-UHFFFAOYSA-N 306.496 6.410 30 10 DKEE C(/C=C\c1ccccc1)=NN=C(c1ccccc1)c1ccccc1 254386648 PBBXNORKHFDZPJ-ULZKCLHWSA-N 310.400 5.223 30 10 DKEE C=CCCCCCCN[C@@H](C)c1sccc1Br 310315983 SCAFTTVQSNQXKZ-LBPRGKRZSA-N 316.308 5.298 30 10 DKEE CCCCCCC[C@H](Cc1csc(Cl)c1)NCCC 393572731 XZZFFAHURDGEML-OAHLLOKOSA-N 301.927 5.673 30 10 DKEE Cc1c(Cl)cccc1N=C1NC2(CCCCC2)CCS1 687321483 ZKXQAZHKWKAOMY-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl 704040214 OOEBMYDLCDXLFA-NSHDSACASA-N 318.263 5.776 30 10 DKEE CCCCCCC[C@](N)(CC)c1ccc(Cl)c(Cl)c1 704489691 GOQBSCKAZOVWKU-MRXNPFEDSA-N 302.289 5.918 30 10 DKEE C(=Nc1ccc(N2Cc3ccccc3C2)cc1)c1cccs1 1084237062 AMNYTTRKAATLAZ-UHFFFAOYSA-N 304.418 5.019 30 10 DKEE CCCCCCCCN(C)c1cc(Cl)c(Cl)cc1N 1887154820 WNXQBBCVPZNFQM-UHFFFAOYSA-N 303.277 5.372 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(OCc2ccccc2)cc1 1903150208 UDNCHQBATZBXMY-OAQYLSRUSA-N 308.421 5.441 30 10 DKEE C=CC[C@@H](C)OC[C@H](NCCC)c1ccc(Cl)cc1Cl 1913341385 NTESBHBJROKCGC-WBMJQRKESA-N 316.272 5.015 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Cl)sc1Cl 1919912321 IQYWDTKNVJGXPR-CQSZACIVSA-N 309.302 6.013 30 10 DKEE Cc1ccc(C=NN(Cc2ccccc2)Cc2ccccc2)s1 1923390296 GVCUSENWMZWORH-UHFFFAOYSA-N 320.461 5.093 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Br)c(Cl)s1 1983529033 VIVBUXPQSHYACZ-UHFFFAOYSA-N 319.651 5.237 30 10 DKEE C=C(COCc1ccccc1)[C@H](CC[C@@H](C)CCCC)NCC 1995260969 ZZRQBFCIBUGZGY-RXVVDRJESA-N 317.517 5.344 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2sccc2Br)CC1 2010782201 COSIZYCYYMVHSJ-SNVBAGLBSA-N 313.260 5.076 30 10 DKEE C=CCCC(=O)c1ccc(-c2ccccc2Br)s1 2045672986 AEYGAACCOYKLDS-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE Cc1ccc(C)c([C@@H](C)n2nc(C3CCCCC3)cc2C#N)c1 2070099705 QYXQTFZLFGVBBY-MRXNPFEDSA-N 307.441 5.029 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccc(CCC)cc1 2070133268 FALARAVGFVQUJD-KRWDZBQOSA-N 320.480 5.474 30 10 DKEE CC#CCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 2073667071 CAZARUMCQQUYPG-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CC=C(CC)C(=O)c1ccc(Br)c(C(F)(F)F)c1 2077117142 JJDQSGRPXSGYBI-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE CC(C)c1ccc([C@H](C)n2nc(C(C)C)c(C#N)c2Cl)cc1 2079903954 GQBOXTIQUSOJJY-ZDUSSCGKSA-N 315.848 5.264 30 10 DKEE CCCCCCC[C@@H](NC)[C@@H](O)c1cc(Cl)sc1Cl 2092178783 CVVCACVDUKCKKQ-YPMHNXCESA-N 324.317 5.037 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(OC)ccc1Br 2108207466 QQVSVKOCGJWZRI-MRXNPFEDSA-N 324.262 5.110 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1Br)C1CCCCCC1 2116849020 BQGBVVMJRXSUNQ-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C#CC[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CC1 2132064243 QNBPYDKCRMEXPY-TVQRCGJNSA-N 316.659 5.099 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)c(F)cc1F)C(C)(C)C 2179362799 GDVMRKHACISUDM-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE CC#CCCCCC(=O)c1cc(Cl)cc(C(F)(F)F)c1 2200837070 YRMJIXTWVOSOKS-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE C=CCCCCCC[C@H](NCC)[C@@H]1CS[C@H](C)[C@@H](C)S1 2206899110 KINLHTFGLBFIAR-NCOADZHNSA-N 315.592 5.117 30 10 DKEE C=CCCCCCCCCCC(=O)C[C@@H](C)P(C)(C)=O 2207428714 BMUJQTGKGBUKQE-MRXNPFEDSA-N 300.423 5.654 30 10 DKEE C=C[C@H](CCCCC)OCc1ccc(C)c(Br)c1 2223285240 DWQSEWRYYLXXLX-OAHLLOKOSA-N 311.263 5.409 30 10 DKEE N#C[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCC2(CCCC2)C1 2234060012 XMMWLAODIZDEBE-SWLSCSKDSA-N 308.252 5.961 30 10 DKEE C(#CC1CCCC1)CN(Cc1ccccc1)CC1CCCCC1 2245355760 SLIQAUQSWRTVMY-UHFFFAOYSA-N 309.497 5.263 30 10 DKEE C=C(C)CCCC[C@H](NC)c1sc(Br)cc1C 2250192094 VJTMVYZWMKPZKG-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccc(C)c(Br)c1 2259197449 YXJFJTTVANMKHR-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C[C@H](CC1CCCCC1)Nc1c(Br)cccc1C#N 2269701562 LUKYFWQENNSPNU-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1ccc(SC)s1 2294567484 HDWNMFXFMSZREL-CQSZACIVSA-N 315.548 5.237 30 10 DKEE C[C@]1(CC#N)CC[C@H](c2c(Cl)ccc(Cl)c2Cl)O1 2317106341 WGZPCZCTBDFCJY-ZWNOBZJWSA-N 304.604 5.171 30 10 DKEE CCSc1ccc(C(C)=NOCc2ccccc2Cl)cc1 2330500964 HQUGWEKJFLGPBN-UHFFFAOYSA-N 319.857 5.393 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1cc(Cl)cc(Cl)c1F 2362216688 AZJYILNARXXOEK-JRPNMDOOSA-N 316.247 5.528 30 10 DKEE C=C1CCC(C[C@@H](N)CCc2cc(Cl)cc(Cl)c2)CC1 2366810392 WZBRGJCBBYTKFR-KRWDZBQOSA-N 312.284 5.390 30 10 DKEE CCCCCCC/C(=C/c1ccccc1)Sc1ccccc1 100000774 AFWLJFQLNPLBHU-UZYVYHOESA-N 310.506 7.180 30 10 DKEE CCCCCCCCNCc1ccccc1OCCC(C)C 100048955 CDPCWJBITZKSDV-UHFFFAOYSA-N 305.506 5.562 30 10 DKEE N#Cc1cc(Cl)ccc1Sc1ccc(Br)cc1 104180926 CCEPUZCXGHPYHB-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCCOc1cc(Cl)ccc1C(=O)O 109970757 CUFPRNBGIJZGDV-UHFFFAOYSA-N 312.837 5.558 30 10 DKEE CC(C)=C1C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118919507 NWHGLVFSMBKWMI-HBKHEJAVSA-N 314.513 5.935 30 10 DKEE CCCCCCCCC[C@H](NC)c1c(Cl)cccc1Cl 157914439 PVWCQWRADPXPLT-INIZCTEOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1SCCS[C@H]1CC 162141718 AWNRFSGRGGEGPO-ULQDDVLXSA-N 318.592 5.505 30 10 DKEE CCCCCCCCCCCCn1c(C)nc(Cl)cc1=O 164677843 AUCXHCNJBFQBSS-UHFFFAOYSA-N 312.885 5.126 30 10 DKEE C=CCCCCC[C@H](O)c1cc(Br)ccc1Cl 236537213 BZYWFISEEQDNAQ-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)ccc1Cl)C(F)(F)F 311390911 LVOSZHNLJUCOCA-LBPRGKRZSA-N 312.162 5.153 30 10 DKEE CCCC1CCC(C=O)(Cc2cccc(Cl)c2Cl)CC1 317579360 MXQWAJQFOWHMHP-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)[C@@H](C)CSC 379920633 AZNJJKZDOAJHDY-ZWKOTPCHSA-N 301.584 5.885 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(C)c(Br)c1 715809909 AWPCATXCEHGNAM-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE CCCCCCCC[S@@](=N)(=O)Cc1ccccc1Cl 1917906270 AFOGQWXWEWHMBS-LJQANCHMSA-N 301.883 5.247 30 10 DKEE C[C@H](N(Cc1ccccc1)[C@H](CC#N)c1ccccc1)C(C)(C)C 1946839112 JVGKAYDYMMLSSH-GHTZIAJQSA-N 320.480 5.578 30 10 DKEE C=CCC(C)(C)COCc1cc(Br)ccc1Cl 2001846962 KECHRORPQJEXLT-UHFFFAOYSA-N 317.654 5.221 30 10 DKEE C=CCCCC[C@@H](NCC)c1c(C)cccc1Br 2059115472 SCFIRNQJLJQFCL-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](c1ccc(C)cc1)C(C)C 2070170538 NTKKVCFMQXDNBC-OAQYLSRUSA-N 306.453 5.076 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(F)ccc1Br 2085915425 FWKYLLRSSDSCFZ-HNNXBMFYSA-N 315.226 5.148 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1scc(Cl)c1Cl 2096213778 WCANRKCBBHTJDP-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE Cc1ccc(Br)cc1C(=O)C1=CC[C@H](C(C)C)CC1 2125203421 KIEYXWSWBUMYBA-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1cc(Cl)ns1 2142451029 RSALAZYTZXAPMF-CYBMUJFWSA-N 301.883 5.527 30 10 DKEE C=CCC[C@@H](C)[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2163999148 NIOXCBNNVIPONN-PXAZEXFGSA-N 305.874 5.671 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cc(Cl)ccc2Cl)CCC1 2168023412 LOUVWLOFDCNHAE-MRXNPFEDSA-N 312.284 5.781 30 10 DKEE CCCCCCCCCCCCO[C@@](C)(CN)CSC 2176253841 DIVUEQQSFKTQDV-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE C[C@](F)(CNc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F 2191839383 GLBSNXNCVKUBNB-VIFPVBQESA-N 323.639 5.061 30 10 DKEE C=CCCCCCCCCN(C)Cc1cc(C)c(Cl)s1 2207372620 GSQHBZIGXSSNHJ-UHFFFAOYSA-N 313.938 6.058 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cnc(Cl)c(Cl)c1 2207414871 QGTFJEPTORZDJG-HNNXBMFYSA-N 316.272 5.729 30 10 DKEE C=C[C@@H](CCCCC)OCc1ccc(Br)s1 2212481962 GZNAXAGKJJZAJN-NSHDSACASA-N 303.265 5.162 30 10 DKEE CC(C)(C)C#C[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2233782558 OAVGQERYUWKGDU-CQSZACIVSA-N 303.858 5.118 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(F)c(C)c1Cl 2235586893 DYTQLHXOOOVXBU-MRXNPFEDSA-N 300.845 5.962 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCC1)c1cccc(Cl)c1Cl 2235757640 MPSFDNLANWFYCA-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cscc1C(F)(F)F 2240615304 BKRNPOOYSQYDIM-CQSZACIVSA-N 308.409 5.725 30 10 DKEE CCC[C@@](C=O)(CC)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 2244799675 CJQPJNPBHAJQIW-NQIIRXRSSA-N 317.517 5.319 30 10 DKEE FC1CC(CS)(CSc2cc(Cl)cc(Cl)c2)C1 2247046592 OYEWGXMKAACWQF-UHFFFAOYSA-N 311.274 5.134 30 10 DKEE C=CCCCCCCCSc1cc(Cl)nnc1Cl 2258976557 SCRSQBSWTLRACX-UHFFFAOYSA-N 305.274 5.402 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cccc(F)c1Cl 2295591755 IVBCKZKNZWRURJ-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE C=CC[C@H](C)C(=O)c1c(C)c(C)c(Br)c(C)c1C 2324092970 PQOWKEDAGMRGSW-VIFPVBQESA-N 309.247 5.078 30 10 DKEE CCCCCCCNCCCc1cc(Cl)cc(Cl)c1 2341160529 BCUHSERVJSXHER-UHFFFAOYSA-N 302.289 5.486 30 10 DKEE C=CCC(CC=C)Sc1cc(C)c(CNC(C)(C)C)s1 2360373390 XPUURIGNBXAUTG-UHFFFAOYSA-N 309.544 5.558 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(Cl)ccc1Cl 2364087717 AZEPLRLFZPCFJZ-QGZVFWFLSA-N 312.284 5.803 30 10 DKEE C=C(c1ccccc1)[C@H](NC)c1ccc(Cl)c(Cl)c1C 2364542288 MDRGUUWZRVWZJA-KRWDZBQOSA-N 306.236 5.276 30 10 DKEE Clc1cc(Cl)c(N/N=C/c2ccsc2)c(Cl)c1 5605233 CGBRXWVUCNSAPQ-PJQLUOCWSA-N 305.617 5.154 30 10 DKEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 6337307 GGEKKJPMDTXBTD-QHHAFSJGSA-N 313.130 5.168 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2 14475037 YZHDEBJQFFZIAQ-MIZPHKNDSA-N 322.411 5.538 30 10 DKEE C=C(C)COc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 20758164 NDFLBHLWJXWLDO-LVCYWYKZSA-N 317.432 5.468 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(O[C@@H](C)CC)cc1 100048373 YGIVYYRRJNCYFX-ZWKOTPCHSA-N 305.506 5.875 30 10 DKEE CCCCCCCCC[C@@H](N)c1cccc(C(F)(F)F)c1 109717777 LTENMEXUQASVHR-MRXNPFEDSA-N 301.396 5.846 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccc(Cl)cc1F 112900529 ZEOOXMWMYLIEAH-GOSISDBHSA-N 313.888 6.270 30 10 DKEE CCCCCCCCC(=O)[C@H](C#N)c1ccc(F)cc1Cl 115858192 XEJFVILYHNCLAL-OAHLLOKOSA-N 309.812 5.406 30 10 DKEE C=CCCCS[C@H](C)C(=O)Nc1c(Cl)cccc1Cl 172215467 ACEFUNPXCGMSMZ-SNVBAGLBSA-N 318.269 5.020 30 10 DKEE C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1/C=C/c1ccoc1 257558242 UTIGHTZWXIGRIJ-CVIHGYLRSA-N 300.442 5.062 30 10 DKEE biogenic CCC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)[C@H](C)C2CC2)C1 386058933 GUCOYXBESAAFMW-MCEIDBOGSA-N 324.512 5.396 30 10 DKEE Fc1cccc(-c2ccc(OC(F)F)c(C(F)(F)F)c2)c1F 514254986 IZFIZIWRNAMHJY-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cc2sccc2s1 686693310 BEMISYJCRXEXQC-CQSZACIVSA-N 305.512 5.587 30 10 DKEE C=CCC1(Nc2cc(C(F)(F)F)cc(Cl)n2)CCCC1 690722488 KNROGYQZBYUHPF-UHFFFAOYSA-N 304.743 5.055 30 10 DKEE CCCCCCCCCCCC[C@H](O)C[C@@H]1CCSC1 708786604 MPVHKUZGCBZFHM-ROUUACIJSA-N 300.552 5.802 30 10 DKEE C=C[C@H](C1CCC1)n1c(S)nc2cc(Cl)c(Cl)cc21 1892956947 JVBLSZRQIPNIRG-GFCCVEGCSA-N 313.253 5.159 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1F 1919563935 WNBNNJHMWPALOP-INIZCTEOSA-N 321.263 6.091 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)CC2CCCC2)C1 1946746918 SPVOCRDSFUJVIR-STZQEDGTSA-N 324.512 5.397 30 10 DKEE CCCCCCCCNc1ccc(Br)c(C)c1C 2037364435 HPKTWYCNFPRTDZ-UHFFFAOYSA-N 312.295 5.838 30 10 DKEE CCCCCCCCCNc1cnc(Br)c(C)c1 2086289765 XBMSVABERJHZHM-UHFFFAOYSA-N 313.283 5.315 30 10 DKEE N#CC1([C@@H](O)c2cc(Cl)c(Cl)s2)CCCCCCC1 2098751780 KIVJQAZGCWEHRD-LBPRGKRZSA-N 318.269 5.343 30 10 DKEE CCCCCCCCCc1nc(Cl)c(CC)c(Cl)n1 2131423636 KPPSTXMJQGDITM-UHFFFAOYSA-N 303.277 5.639 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1cc2cscc2s1 2148578531 LRHTUFCDOBFQPD-CJNGLKHVSA-N 311.516 5.074 30 10 DKEE N#Cc1ccc(N2CCCC[C@H]2c2cccs2)c(Cl)c1 2171823524 GMUTWLIFYSHGRO-HNNXBMFYSA-N 302.830 5.005 30 10 DKEE C=CCCCC[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2179704581 VABQTHNBTQOLTC-OAHLLOKOSA-N 306.858 5.848 30 10 DKEE CC#CCCC[C@@H](NCC)c1cc(-c2cccs2)cs1 2194059309 NQIIQZWEHKSSRF-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE C#CC[C@@H](C[C@H](NCCC)c1cc(Cl)sc1C)C1CC1 2196853909 KTGKZDLHWWXEMU-HOCLYGCPSA-N 309.906 5.190 30 10 DKEE Cc1cc(CNc2c(C)cc(Cl)cc2Cl)ccc1C#N 2201068916 IFDINGYNNPIMHB-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CCCCCCC[C@@](C)(O)c1c(Cl)ccc(Cl)c1OC 2204249339 XEHRBOQPWADVJY-MRXNPFEDSA-N 319.272 5.570 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H](O)c1ccc(Cl)s1 2207436691 KGAMLXDVGMFGMQ-XJKSGUPXSA-N 315.910 5.069 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc2sccc2s1 2207440015 VAQNMHGLUQJANE-CQSZACIVSA-N 308.512 6.303 30 10 DKEE N#Cc1c(F)cccc1-c1cc(Cl)cc(Cl)c1Cl 2220118960 IXZYTZMDVGRPAO-UHFFFAOYSA-N 300.547 5.325 30 10 DKEE C=CCCCCC[C@H](Cc1cccc(Cl)c1Cl)NC 2227508759 NZKCFFGOPHFMAP-CQSZACIVSA-N 300.273 5.260 30 10 DKEE SC[C@@H](CSc1nc(-c2ccccc2)cs1)C1CCC1 2234271774 NPZZJWAXZHLTEJ-AWEZNQCLSA-N 321.536 5.248 30 10 DKEE C=CCN(CCCCCCCCCCCN)Cc1ccccc1 2246283545 PUFZHODBAIPNEF-UHFFFAOYSA-N 316.533 5.144 30 10 DKEE C=CCCCC[C@H](O)c1cc(Br)c(F)cc1Cl 2249383645 RIRCYXUDWGETKM-ZDUSSCGKSA-N 321.617 5.021 30 10 DKEE C=C(C)CCCCC(=O)c1c(Br)sc(C)c1C 2250127926 BXDUJWWVBWOHTM-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE CCCCCCCCNc1cc(F)cc(Br)c1C 2259687644 QXQIZGDBEPEUAG-UHFFFAOYSA-N 316.258 5.669 30 10 DKEE CC1(CSCC2(CS)CCCC2)CC(C(F)(F)F)C1 2271691568 GLFTVHQFWZCLGE-UHFFFAOYSA-N 312.466 5.188 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1cc(Cl)c(Cl)s1 2274121223 INGWEHUILYSNLA-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(CC2(CSC)CC(F)(F)C2)C1 2289656078 LGFGQFINSVBBFH-ZIAGYGMSSA-N 301.446 5.265 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2cccc(C)c2C)cc1 2296876177 ZXCUFGGXTOKPIW-UHFFFAOYSA-N 323.436 5.291 30 10 DKEE O=C(C=Cc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 2297342264 RFOUVPFZATXPNJ-UHFFFAOYSA-N 323.395 5.731 30 10 DKEE CCCCCC[C@@H](C)OCC(B1OC(C)(C)C(C)(C)O1)=C(C)C 2301955769 MHSLTEMDJYQLEX-MRXNPFEDSA-N 324.314 5.330 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)cc(Cl)c1Cl 2344374429 IBOWKMNVDXCMTP-LSDHHAIUSA-N 320.691 5.900 30 10 DKEE CC(C)(C)[C@@](C)(CS)COCc1cc(Cl)cc(Cl)c1 2352106759 IIPPUDXVECERKC-OAHLLOKOSA-N 321.313 5.492 30 10 DKEE N#Cc1ccc(Nc2cc(C3CC3)ccc2Cl)c(Cl)c1 2363399030 FXVHDUWLHMJIKM-UHFFFAOYSA-N 303.192 5.486 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2366406172 AAMACIODDBRFPP-CQSZACIVSA-N 314.231 5.128 30 10 DKEE CCCC#CC[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807336 GWADITTXZZYGSI-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 20694872 DQTYJLYAOJCRSC-MDZRGWNJSA-N 306.796 5.038 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Br)cc2)C1 37156671 KBPXEUQUZIZTRY-LALPHHSUSA-N 324.287 5.260 30 10 DKEE Cc1ccc([C@H](C#N)c2cc(C)nc3ccc(Cl)cc23)cc1 39288547 NMZVAJKHTPQKIA-SFHVURJKSA-N 306.796 5.161 30 10 DKEE CCCCCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1 97998427 FQKTYGJXRYYNTG-UHFFFAOYSA-N 319.395 5.863 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccc(Cl)cc1F 112900371 LUABDYKRCDHPPO-GOSISDBHSA-N 313.888 6.270 30 10 DKEE Cc1ccc(Br)cc1Oc1ccc(C#N)cc1Cl 228333254 ATIMRSHFRQVEJA-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCCC[C@H](N)c1ccc(Cl)cc1F 228988761 MICYRCOPCBBZPO-SFHVURJKSA-N 313.888 6.400 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc(Cl)ccc1F 229072037 NCVPRTGTDUTHKV-SFHVURJKSA-N 313.888 6.270 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc2c(s1)CCSC2 233548064 RGMMNJCIICFGNW-HNNXBMFYSA-N 309.544 5.325 30 10 DKEE CCCCCCCC[C@@H](NC)c1c(Cl)ccc(F)c1F 312692874 QQIRCFDRXSBTFX-CQSZACIVSA-N 303.824 5.629 30 10 DKEE C=CC(C)(C)CN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 385223426 RZOIQEGWRRMPOI-SECBINFHSA-N 306.664 5.510 30 10 DKEE CCCCCCCCNc1cc(F)cc(Br)c1 387444845 ZRTOBFDRDMOHRD-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE Cc1cc(Br)c(C)c(Oc2ccc(C#N)cc2C)c1 686556521 YDVMTRGIKFWWDX-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1F 701406323 NUBVNYCJCHGNQQ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCC[C@H](C)Nc1cc(NC(=O)OC(C)(C)C)ccc1Cl 703229153 IDFZLNYFDHTCOP-LBPRGKRZSA-N 324.852 5.454 30 10 DKEE C=CCCCOC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 709584006 RQONEFAUFRIAEJ-INIZCTEOSA-N 316.272 5.017 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(Br)c1C 715772194 IQBJAYZUWAEOCB-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE C=CC[C@@H]1CCCN1CCSc1cc(Cl)ccc1Cl 1884130090 IXMJMDDXDNSSIH-CYBMUJFWSA-N 316.297 5.126 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(Cl)c(Br)c1Cl 1900313308 UDAAAHKXRFSGKQ-MRVPVSSYSA-N 323.061 5.523 30 10 DKEE CCCCCCC[C@](C)(N)C[C@H](C)COCc1ccccc1 1919504652 LKPYMEJOTUTKCC-ICSRJNTNSA-N 305.506 5.307 30 10 DKEE C=CCC[C@H](C)[C@@]1(N)CCC(C)(C)C[C@@H]1OCc1ccccc1 1977508762 XTPVEGRFUJKDBY-CUWPLCDZSA-N 315.501 5.082 30 10 DKEE CC=C(C)C(=O)C[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1983434174 IYKPLFQIHRRICB-CQSZACIVSA-N 317.429 5.063 30 10 DKEE C=CCCCC[C@@H](NCC)c1sc(C)cc1Br 2009483933 GWGMQAYLQHNQLS-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE Cc1sc(C)c(C(=O)C=Cc2ccccc2)c1Br 2036546759 JSFTVTLFBJICRY-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE O=C(C=Cc1ccc(-c2nc3ccccc3s2)o1)c1ccco1 2053498076 HIMBINHOUAYCOC-UHFFFAOYSA-N 321.357 5.045 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2081457837 ULTDZGYHWLFJRY-AWEZNQCLSA-N 306.664 5.654 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)cc1C 2085838843 IKTZBHBMDUUBDO-INIZCTEOSA-N 310.279 5.284 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2snc(Cl)c2Cl)CC1 2110934291 HJAJUPKJEHWLNQ-CQSZACIVSA-N 320.285 5.168 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1ccc(Cl)c(Cl)c1 2148586077 GXURCYIYJQHBSQ-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(-c2cccs2)cs1 2164194868 GQARMTMHSMUEEG-HNNXBMFYSA-N 305.512 5.874 30 10 DKEE C=CC1(C[C@H](NCCC)c2c(Cl)cncc2Cl)CCC1 2168028540 NEGGNSIBKUQKFR-AWEZNQCLSA-N 313.272 5.176 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1cc(Cl)cc(Cl)c1 2197955728 NDWKGHQZVFMFTE-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Cl)c(OC)c1F 2203416114 GIAKPWJVAHLBGV-AWEZNQCLSA-N 301.833 5.109 30 10 DKEE CCCCC#CC[C@H](NCCC)c1cccc(Cl)c1Cl 2203786858 HTNOTHALYHMUOE-INIZCTEOSA-N 312.284 5.618 30 10 DKEE CCCC(CS)(CCC)COc1ccc(OC)cc1Cl 2207254263 ZAVFUQZIZXFTBR-UHFFFAOYSA-N 316.894 5.244 30 10 DKEE N#Cc1cccc(Oc2ccc3ccc(Br)cc3c2)c1 2207514917 MBRJFFAIKUGGPQ-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2217660408 LYSVYSRDFOLSDY-CYBMUJFWSA-N 309.664 6.041 30 10 DKEE CCCCCCCC[C@](C)(O)c1cnc(C(F)(F)F)s1 2240619215 COZJCLWHNDJXQZ-ZDUSSCGKSA-N 309.397 5.120 30 10 DKEE C=C(C)CCCCNc1ccc(Br)c2ccccc12 2271780828 JHACFKYXENLDHT-UHFFFAOYSA-N 318.258 5.761 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cccc(SC(F)(F)F)c1 2287403892 ZHIPMKGMHNXRCO-CQSZACIVSA-N 304.377 5.468 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(F)c(Cl)cc1F 2287470403 QACYSLLAAXJQDE-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CCN[C@H](C#Cc1ccccc1Cl)c1scc(C)c1Cl 2295212144 QGWKJLFFZQLTGR-CQSZACIVSA-N 324.276 5.066 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1c(Cl)ccc(F)c1Cl 2362234482 HFBKEROKAWLKHY-WDMOLILDSA-N 316.247 5.528 30 10 DKEE N#Cc1ccccc1Oc1ccc2cc(Br)ccc2c1 21812533 MNDWSIAMBXYHBB-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 91880661 NOPOBNRPVUJKCL-AJQRCPHMSA-N 312.240 5.137 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)C1 91884086 RYHQZJQESFSUND-LYRGGWFBSA-N 312.240 5.137 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2ccccc2CC)cc1 103029120 JYGOKZWEBMJTHX-PFONDFGASA-N 323.436 5.236 30 10 DKEE CC[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl 109947559 VYAFLXBIJOJUFO-INIZCTEOSA-N 323.198 5.567 30 10 DKEE CCCCCCCCCSc1nc(C)cc(C)c1C(=O)O 109976200 IXIMDRHQZLUTMD-UHFFFAOYSA-N 309.475 5.239 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(Br)cc1 112888808 KNIADVKZSHWAKO-MRXNPFEDSA-N 312.295 5.590 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(Cl)s1)NCCC 160839431 HAEBUKCFEDCBKC-HNNXBMFYSA-N 315.954 6.063 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc2c(s1)CCCC2 162276863 UJISLQIAFUCNFD-KRWDZBQOSA-N 307.547 6.158 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(C(C)(C)C)s1 165541463 HORGPAPWIBKTMO-MRXNPFEDSA-N 309.563 6.447 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2Cl)C1 222248014 ZIOPNUPGIAUIAI-CPUCHLNUSA-N 321.917 6.177 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@@H](C)S1 232917150 RNOPBLODNGQBIS-INMHGKMJSA-N 316.576 5.712 30 10 DKEE Cc1ccc(N=Cc2ccccc2OCc2ccccc2)c(O)c1 252461034 KAUDRZWNJVWMDN-UHFFFAOYSA-N 317.388 5.030 30 10 DKEE CCN(CC)c1ccc(C=Nc2cccc(C(F)(F)F)c2)cc1 254415862 UGMWYNBFKFWYQW-UHFFFAOYSA-N 320.358 5.302 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](C)c2ccc(Br)cc2)C1 394060959 XZQGQCZTAUWJNZ-JJRVBVJISA-N 320.274 5.663 30 10 DKEE C=CCCC[C@H](C)N[C@H](CC)c1cccc(Br)c1 398146138 BTTDUAMXVOAVDS-XJKSGUPXSA-N 310.279 5.235 30 10 DKEE CCC[C@](C#N)(C1CCCC1)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698421450 ZUKLUYUXQSZEEZ-KXBFYZLASA-N 322.493 5.275 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 712343835 HINCAJCUOSUARD-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cscc1C(F)(F)F 717207190 JFKDIWRJYKCHHK-CQSZACIVSA-N 305.409 5.554 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 722138054 UASJBRSFGCOODD-SUMWQHHRSA-N 313.268 5.712 30 10 DKEE Clc1cccc(NN=Cc2ccc3c(c2)Cc2ccccc2-3)c1 1084591174 DFZFFRCBLXJZQK-UHFFFAOYSA-N 318.807 5.357 30 10 DKEE CCOc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)c(C)c1 1874588294 ZJOKONVVYYBQJD-VQHVLOKHSA-N 314.812 5.252 30 10 DKEE C(#CC1CCCCC1)CNc1cccc(OCc2ccccc2)c1 1944812144 VMFNLJKJELURNB-UHFFFAOYSA-N 319.448 5.261 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@]1(C=O)CCCCC12CCC2 1981858346 VUOHVLGDGTWPAM-NQIIRXRSSA-N 314.469 5.159 30 10 DKEE C=CCCCCCC[C@@H](NCCC)[C@@H](C)OCc1ccccc1 1995175300 DHBXNNNHNYUKJU-TZIWHRDSSA-N 317.517 5.487 30 10 DKEE CCOc1c(C(F)F)cc(C(F)(F)F)cc1C(F)(F)F 2060219555 AODKIDRNLWBMAS-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](CC)c1ccc(C)c(C)c1 2070162316 ZPYBUASTTOGIOL-JOCHJYFZSA-N 314.432 5.148 30 10 DKEE C=CCCCCCC[C@H](N)c1c(F)cccc1Br 2085838505 DOYRDDVVSNPMFG-AWEZNQCLSA-N 314.242 5.115 30 10 DKEE C=CCCCCCCOCc1cc(F)ccc1Br 2085848573 BGNLTLFRWRPSAD-UHFFFAOYSA-N 315.226 5.241 30 10 DKEE CC(C)C(C(C)C)[C@@H](C)Nc1ccc(Br)cc1C#N 2087327525 NBHFNKQEKGUMHA-GFCCVEGCSA-N 323.278 5.049 30 10 DKEE C=C([C@H](NCCC)c1ccc(Cl)c(Cl)c1)C(C)(C)C 2096622278 ULJPBGSTWIAQQF-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE CCCCCC#CC[C@H](O)c1cc(C)c(Br)c(C)c1 2138954498 MIDJKSXHIIVAQR-INIZCTEOSA-N 323.274 5.073 30 10 DKEE C=CCCCCCCC(=O)c1cc(Cl)c(N)c(Cl)c1 2141923783 XFHUDLSEUVRXDI-UHFFFAOYSA-N 300.229 5.285 30 10 DKEE CCCCCCCC(=O)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 2147017980 URJFRJGDDNCCHU-INIZCTEOSA-N 317.256 5.131 30 10 DKEE C=CCCCCCCCC[C@H](O)[C@@H]1CS[C@@H](C)[C@H](C)S1 2207402283 BCKRQOFOULAPHV-QAETUUGQSA-N 316.576 5.280 30 10 DKEE CC(=CBr)CC1(C=O)CCC(C(C)(C)C)CC1 2214048071 DLOLDOUFTQIWED-UHFFFAOYSA-N 301.268 5.097 30 10 DKEE SCC1(CSc2nc(-c3ccccc3)cs2)CCCC1 2234271168 JSLPVQUDAOSWON-UHFFFAOYSA-N 321.536 5.392 30 10 DKEE C=CCCCCCCC[C@H](NC)[C@@H]1CS[C@@H](C)[C@H](C)S1 2235518187 DMFKLEXCRSAKHC-QAETUUGQSA-N 315.592 5.117 30 10 DKEE C=C([C@@H](NC)c1ccc(Cl)c(C(F)(F)F)c1)C(C)(C)C 2236311053 UKUPXPRZCRWTQW-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE CCCCCCCc1scc(CNCC(F)(F)F)c1C 2240656868 ISYCNZBVLJROJU-UHFFFAOYSA-N 307.425 5.221 30 10 DKEE C=CCC[C@H](NCCC)c1scc(Br)c1Cl 2242658841 DSJVQJBKFDPZQP-JTQLQIEISA-N 322.699 5.171 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](O)c1cc(Cl)sc1Cl 2256766776 YUQXZJHBTPRJRR-LLVKDONJSA-N 303.254 5.084 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(C)c(Br)c(C)c1 2271780242 BMTBGFDTLIGCMP-INIZCTEOSA-N 324.306 5.463 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc2cscc2s1 2284095437 KTXUTHISRGBDLH-CQSZACIVSA-N 303.496 5.219 30 10 DKEE C=CCCCCCC[C@H](OCCCN)c1cc(Cl)cs1 2292784903 PINAZCJXZTUTQJ-HNNXBMFYSA-N 315.910 5.335 30 10 DKEE C=CCC(C)(C)[C@H](O)CCCc1cc(Cl)cc(Cl)c1 2344464627 KTJKMWMBOUEGMH-OAHLLOKOSA-N 301.257 5.279 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1ncc(Cl)cc1Cl 2364070609 LQHJISJFUXXDJL-OAHLLOKOSA-N 313.272 5.198 30 10 DKEE C=CCCCCCCCCC(=O)c1cc(OC)c(Cl)s1 2365834471 VHJUXJBVCXNSIL-UHFFFAOYSA-N 314.878 5.900 30 10 DKEE C=CCCC[C@H](CCCCC(F)(F)C(F)(F)F)NCC 2368092125 QBHSGYDPCRRFQZ-GFCCVEGCSA-N 301.343 5.079 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2377281396 BDRSXYTWINWLOA-MRXNPFEDSA-N 318.263 6.049 30 10 DKEE CCC1CCC(C=O)(Cc2cc(F)c(Cl)cc2Cl)CC1 2377404299 ZKCZVRQZTNYSDE-UHFFFAOYSA-N 317.231 5.461 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2 14480188 SBMMVGUQILDFKD-IPJJNNNSSA-N 317.432 5.386 30 10 DKEE CCc1ccc2ncc(C#N)c(Nc3ccc(C(C)C)cc3)c2c1 64472407 HTMXEBNTSHHBFF-UHFFFAOYSA-N 315.420 5.536 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(C(F)(F)F)ccc1F 94595110 RSURQZZEHKEVDK-OAHLLOKOSA-N 303.343 5.242 30 10 DKEE CCCCCCCc1ccc(-c2ccc(/C=C\C(=O)O)cc2)nc1 104073232 FEGMWBXZWGDJQA-PTNGSMBKSA-N 323.436 5.359 30 10 DKEE C[C@H](CCS)c1c(Cl)c(Cl)cc(Cl)c1Cl 107502351 GMJGBAZQRLBROM-RXMQYKEDSA-N 304.069 5.724 30 10 DKEE CCCCCCCCCn1nc(C)c(Br)c1C 109779594 HEJOTBABYDMQPN-UHFFFAOYSA-N 301.272 5.013 30 10 DKEE CCCCCCCCCC[C@H](CSC(C)C)NCCC 115644738 RWJHTQSJJISTHE-GOSISDBHSA-N 301.584 6.027 30 10 DKEE N#Cc1ccccc1Nc1ccc(Br)c2ccccc12 123246801 ZVFVAMLKFVLRNF-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE N#Cc1cc(F)ccc1NC(c1cccs1)c1cccs1 126319343 VAEIDVJYGDPCIB-UHFFFAOYSA-N 314.410 5.022 30 10 DKEE CCCCCCCC[C@H](NN)c1ccc(Cl)c(Cl)c1 130217166 ZKFTZBAPRDMKML-HNNXBMFYSA-N 303.277 5.248 30 10 DKEE CC(C)c1cc(Br)ccc1Oc1ccccc1C#N 136456872 MITYYVLXGZHIKQ-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2cc(Cl)sc2Cl)CC1 312687877 LAFZZDDYOLASME-NSHDSACASA-N 318.269 5.198 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCCC[C@H]2C)cc1Br 314632236 QXKNPXQKYOTVCO-CZUORRHYSA-N 306.247 5.020 30 10 DKEE C=C(C)CC[C@@H](N)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 407687190 QDPZFZRBAJQHMR-CQSZACIVSA-N 324.852 5.043 30 10 DKEE Cc1c(Cl)cc(NC[C@@H](C#N)c2ccccc2)cc1Cl 690310261 JNNBKCZNESLXLC-CYBMUJFWSA-N 305.208 5.021 30 10 DKEE CCCCCCC[C@](C)(C#N)N(CC1CC1)C(=O)OC(C)(C)C 698969086 ZKBJILRPQYSUGV-LJQANCHMSA-N 322.493 5.276 30 10 DKEE C=CC[C@H](C)[C@H](NC)c1ccc2cc(Br)ccc2c1 715829308 KJNHCMVHAWFRQZ-SJCJKPOMSA-N 318.258 5.075 30 10 DKEE CC(C)C(C)(C)CSc1ccc(C(F)(F)F)c(C#N)c1 718781114 CFNRKMOTKUJAIP-UHFFFAOYSA-N 301.377 5.351 30 10 DKEE CCOc1ccc(-c2csc(N=Cc3ccc(C)cc3)n2)cc1 1084654727 BQAPVUGEFMPJKD-UHFFFAOYSA-N 322.433 5.268 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cccc(Cl)c1C(C)=O 1914548276 UHZJQJCLBKCKBU-UHFFFAOYSA-N 313.828 5.125 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 1931998180 IEPNYNYEHLUSQK-HNNXBMFYSA-N 312.844 5.263 30 10 DKEE O=C(C1=CCCCCC1)c1cscc1OCc1ccccc1 1934836267 PSSIXUWJQUYYQY-UHFFFAOYSA-N 312.434 5.400 30 10 DKEE Cc1cc(CN(Cc2ccccc2)C2CCCCC2)ccc1C#N 1947915206 BTFUZHRTIFBOPE-UHFFFAOYSA-N 318.464 5.202 30 10 DKEE C=CCCCC[C@@H](O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 1984554504 PVBJYPIEYWGXAD-QGZVFWFLSA-N 319.445 5.122 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(C)sc1Br 1996471619 VGTGFGRCYAWBSU-GXFFZTMASA-N 316.308 5.072 30 10 DKEE C=CCCCC[C@H](NCC)c1scc(C)c1Br 2009485801 YRWKIMCSWCVBMF-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccccc1OCc1ccccc1 2009493118 FLMZEYVSIOYBQX-OAQYLSRUSA-N 323.480 5.663 30 10 DKEE C=CCCCC[C@H](O)c1ccc(Br)c(Cl)c1F 2009528668 KFQCRNSNYHDYTA-NSHDSACASA-N 321.617 5.021 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)c1nc(C(C)(C)C)ccc1C#N 2017160881 NFPNHMOQLQJCEH-MRXNPFEDSA-N 321.468 5.056 30 10 DKEE N#C[C@@]1(Cc2cccc(Cl)c2Br)CCC12CCC2 2047962157 NSUGBCZFFFBBEF-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 2206900768 WHGMTDWKBLRMJL-MRXNPFEDSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H]1SCCS[C@H]1CC 2207438664 UGITWSLDSFHOTF-ULQDDVLXSA-N 315.592 5.248 30 10 DKEE C=CCCCCCCCC(=O)c1cc(C)cc(Br)c1 2227269845 BNNFVZNOGNZKSN-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE SC[C@H](CSCCCCCCCC1CC1)C1CCC1 2231063663 FQPNDXPQXPUNGT-QGZVFWFLSA-N 300.577 5.816 30 10 DKEE C=C[C@H](CCCCC)O[C@@H](C)C(=O)c1ccc(Cl)s1 2231095606 QNLIYJHCQSLUKY-NWDGAFQWSA-N 300.851 5.124 30 10 DKEE CSc1ccc(OCC2(CS)CCCCCC2)cc1C 2236028600 SCZKSJXNZZGFGH-UHFFFAOYSA-N 310.528 5.366 30 10 DKEE CCCCCCCC[C@H](C)NCc1cc2cscc2s1 2240665830 HJDBZUUQUBMVRG-AWEZNQCLSA-N 309.544 6.192 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(Br)ccc1C 2259196385 IWRHXOCTXWCRFN-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265995309 HVNTWZBMYJNBLI-QGZVFWFLSA-N 324.306 5.579 30 10 DKEE CCCN[C@H](CC#CC1CCCC1)c1cc(C)c(Cl)s1 2289856247 ZPRUAISGWWWUSI-OAHLLOKOSA-N 309.906 5.334 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3N=Cc1ccc(F)cc1 2295880071 QDHHTYQSCWZWEO-LJQANCHMSA-N 306.384 5.112 30 10 DKEE CCCCCCCCCCCCN=C(C)c1ccccc1O 2297563091 SXFYMBFEIKOKLL-UHFFFAOYSA-N 303.490 6.122 30 10 DKEE CCCCCCCC[C@H](N)c1c(Cl)sc(Cl)c1C 2314517348 HDVXTFDBYXPVAK-NSHDSACASA-N 308.318 6.114 30 10 DKEE C=CC[C@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2341152432 NVKLLEJDMUHUAX-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE CCc1cc(OC[C@@](C)(CS)C(C)(C)C)ccc1Cl 2352164595 AFLADOVMKYMPHS-INIZCTEOSA-N 300.895 5.263 30 10 DKEE C=C(c1ccccc1)[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2364542290 MDRGUUWZRVWZJA-QGZVFWFLSA-N 306.236 5.276 30 10 DKEE N#Cc1ccc(OCCSc2cc(Cl)ccc2Cl)cc1 34651363 CPQFIPIEPFBLGQ-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE N#Cc1ccc(-c2csc(-c3c(F)cccc3Cl)n2)cc1 62938216 OXXGDBYVVQXKNX-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE CCC1CCC(C#N)(Cc2cccc(Br)c2)CC1 87933687 KVLQVBHNHRAXSW-UHFFFAOYSA-N 306.247 5.102 30 10 DKEE CCCCCCCCn1c(-c2cccc(C)c2)nc2ccccc21 102195300 RZYVBNAEBOXBCD-UHFFFAOYSA-N 320.480 6.372 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(OC(F)F)cc1 115651212 ONKSYZLPCRRPDC-MRXNPFEDSA-N 300.389 5.462 30 10 DKEE CCCCCCCCCCCC[C@H](CSC(C)C)NN 126600690 KSOROZACJLPOHM-QGZVFWFLSA-N 302.572 5.271 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)c1cncs1 147720978 OAWKPOVSDCMEDH-QGZVFWFLSA-N 310.551 6.105 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(F)c1 156270394 LDQAFUJIWFGQPP-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CCCCCCCC[C@H](Cc1cc(Cl)ccc1OC)NC 161912304 LFNCFPQWFNXABK-QGZVFWFLSA-N 311.897 5.230 30 10 DKEE N#C[C@H](C(=O)CC1CCCCCC1)c1ccc(F)cc1Cl 162030704 MOOHVZAKEIDZEN-HNNXBMFYSA-N 307.796 5.016 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc2c(s1)CCC2 162275662 QOSRMHNACPSZCJ-QGZVFWFLSA-N 307.547 6.028 30 10 DKEE FC(F)(F)c1ccc(/N=C/c2ccc3ccccc3n2)cc1 196300868 JAFWLVGRAMQCCF-SRZZPIQSSA-N 300.283 5.004 30 10 DKEE N#Cc1ccc(NCc2cccc(Cl)c2Cl)c(Cl)c1 236063206 JVTRCLGHLBNPEY-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE COc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 254836204 RUJZUACLCQGHPI-UHFFFAOYSA-N 317.388 5.025 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H](C)OCc1ccccc1 404433232 GDXVTDOOLKRLBM-AZUAARDMSA-N 305.506 5.320 30 10 DKEE C[C@H](Nc1ccccc1C#N)c1cc(Cl)cc(Cl)c1F 692322342 STWICJYPDMWXPX-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@H](NC)c1oc(C)cc1Br 706283256 GNJLJFJDGXLROE-AWEZNQCLSA-N 316.283 5.362 30 10 DKEE CCCCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NN 722102387 CQHKPRPQHUBFOQ-INIZCTEOSA-N 317.304 5.118 30 10 DKEE CC1(C)CC(CS)(CN(Cc2ccccc2)C(C)(C)C)C1 1892898854 VHCHIYHDCIXAAD-UHFFFAOYSA-N 305.531 5.023 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCCC(C)(C)C1 1980273205 BNIPARXRFCRBTE-JYJNAYRXSA-N 322.493 5.131 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H](c1ccccc1)C(F)(F)F 1990809965 OHSCMZMCWHVRER-SFHVURJKSA-N 319.370 5.368 30 10 DKEE C=CC1(CNc2cc(Cl)c(C)cc2Br)CCC1 2002639966 WJRYUSRPULEKNY-UHFFFAOYSA-N 314.654 5.179 30 10 DKEE CCCCCCC[C@H](NCC)c1scc(Cl)c1Cl 2035090349 UOTRGXWIRDOGHB-LBPRGKRZSA-N 308.318 6.066 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(C)cc(Br)c1 2070444127 FWPGPSAYRQQPLF-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1 2141912834 CAOKFQBGKFZHPS-INIZCTEOSA-N 300.273 5.781 30 10 DKEE C=C([C@H](N)c1ccc(-c2ccccc2Cl)s1)C(F)(F)F 2164003323 JRXWJNASUYCHRM-ZDUSSCGKSA-N 317.763 5.187 30 10 DKEE C=C1CCC(C[C@@H](NCCC)c2cc(Cl)sc2C)CC1 2164207469 UXCHIRGKNXVHQY-MRXNPFEDSA-N 311.922 5.887 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ncc(SC)s1 2164239653 OEDFTJSYSNFWCG-CQSZACIVSA-N 314.564 5.656 30 10 DKEE CC#CCCCC[C@@H](NC)c1cc(-c2cccs2)cs1 2196170957 DYBHTQCXGFXTGQ-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE C=C1CCC(C[C@H](N)c2ccc(-c3cccs3)s2)CC1 2205878495 DRLBMFABJQTZJJ-AWEZNQCLSA-N 303.496 5.613 30 10 DKEE C=CCCCCCCCCNc1cc(F)c(Cl)cc1Cl 2207394710 AHUOUMAYNNULAJ-UHFFFAOYSA-N 318.263 6.461 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cccc(Cl)c1Cl 2207428807 CEJGTHIUAAHQSH-MRXNPFEDSA-N 315.284 6.334 30 10 DKEE CCCCCCCCNCc1cc(C)ccc1Br 2220766262 CDDRRSKDRBBECN-UHFFFAOYSA-N 312.295 5.208 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Cl)c(Cl)c(Cl)c1 2224316894 IPENTWFDUUBWQU-HNNXBMFYSA-N 322.707 6.181 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Cl)cc(Cl)c1 2227273025 PVXPLWZBJFHKCI-INIZCTEOSA-N 301.257 5.944 30 10 DKEE C=C[C@@H](CC)OC[C@H](NCCC)c1ccc(Cl)cc1Cl 2239480479 DEOILYRQAFXGPQ-BBRMVZONSA-N 316.272 5.015 30 10 DKEE O=C(CCCC(F)(F)C(F)(F)F)c1cc(C(F)F)cs1 2240423124 BSLDALVVIOOYLS-UHFFFAOYSA-N 322.245 5.236 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Br)sc1C 2244616505 NAZWVFXLHILTMH-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=C(C)CCCC[C@H](O)c1sc(CC)cc1Br 2250149961 GBWTUJGQESIGGZ-ZDUSSCGKSA-N 317.292 5.243 30 10 DKEE CCCc1ccc(Nc2c(Br)cccc2C#N)cc1 2269687961 GSMNWLPEPWKQCP-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1ccc(Cl)cc1Cl 2287413325 IWBKASUNFGYSDH-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE Cc1cccc(C=C2CSC(=Cc3cccc(C)c3)C2=O)c1 2297337316 FTTVEJUDKAEMHH-UHFFFAOYSA-N 306.430 5.044 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2344378871 MWWYQDSRMFIVLB-CQSZACIVSA-N 304.236 5.385 30 10 DKEE C=CCC(C)(C)[C@@H](O)CCCc1cc(Cl)cc(Cl)c1 2344464626 KTJKMWMBOUEGMH-HNNXBMFYSA-N 301.257 5.279 30 10 DKEE C#CCCCC[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377316022 QIOMFTZKFAXPEU-INIZCTEOSA-N 316.247 5.367 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 69381664 NWDRKEBOMYTKHT-OLZOCXBDSA-N 315.404 5.498 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1OCCOCC 100048592 NREXKKXWPNJJQH-SFHVURJKSA-N 321.505 5.113 30 10 DKEE CCCCCCCCNc1cccc(Cl)c1-n1cccn1 109905108 FTJUIFKKTNOYAY-UHFFFAOYSA-N 305.853 5.298 30 10 DKEE CCCCCCCO[C@@H](CNC(C)C)c1cccc(Cl)c1 110067853 DPOACOAEZUCVDY-SFHVURJKSA-N 311.897 5.366 30 10 DKEE CCCCCCCCC[C@H](CC1CCSCC1)NCCC 139423924 XURRIOJBKPOUIP-LJQANCHMSA-N 313.595 6.029 30 10 DKEE CCCCCCCNc1c(Cl)cc(F)cc1Br 232162119 OUSVBQXGSBSLJI-UHFFFAOYSA-N 322.649 5.624 30 10 DKEE Cc1cc(C#N)ccc1Oc1ccc(OCc2ccccc2)cc1 309868148 FGOPBBIOMDYBJE-UHFFFAOYSA-N 315.372 5.238 30 10 DKEE C=C(C)C[C@@H](NCC)c1cc(Cl)c(C)cc1Br 310164295 JKUUIODROMRZNI-CQSZACIVSA-N 316.670 5.028 30 10 DKEE C=CCCCCCCn1c(S)nc2ccc(Cl)c(C)c21 312551239 GURRLIIAXFVQSF-UHFFFAOYSA-N 308.878 5.423 30 10 DKEE N#Cc1cc(NCc2cc(Cl)sc2Cl)ccc1Cl 312568375 ZLLOHOXMRWJIJI-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CC(C)C1CCC(C=O)(Cc2cccc(Cl)c2Cl)CC1 316881663 RBZRYVWQNCXIGX-UHFFFAOYSA-N 313.268 5.567 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1cc(Cl)ccc1Cl 387468502 STNXWCRUKYOIQN-LBPRGKRZSA-N 300.273 5.116 30 10 DKEE N#Cc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1 514261056 AZDWTQXVDIUQGL-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=CCCC(C)(C)CNCc1sc2ccccc2c1Cl 704039177 IWAPQVVKROFQBL-UHFFFAOYSA-N 307.890 5.637 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC(C)(C)CC1 710742608 VFLPFPKBHIANPN-KXBFYZLASA-N 322.493 5.275 30 10 DKEE CC(C)(C)C1=CC(=C2SCCS2)C=C(C(C)(C)C)C1=O 1088671226 YUEKUZFOEOXBAR-UHFFFAOYSA-N 308.512 5.206 30 10 DKEE C=CCCCCCCCCN[C@@H](C)CCOCc1ccccc1 1995326017 RVLPHASAHAWGEF-FQEVSTJZSA-N 317.517 5.488 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(C)ccc2Br)CC1 2061178966 NIJYSNGTYKAZDR-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE CCCCCCCCCNc1c(C)cc(Cl)cc1Cl 2136382106 OJMPCANZUNDNKS-UHFFFAOYSA-N 302.289 6.464 30 10 DKEE CCCCCCCCC[C@H](O)[C@H](NC)c1sccc1Cl 2148559392 JWOMIXDHYXDERL-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@@H](NCC)c1nn(C)c(Cl)c1Cl 2150721874 FJIVTPGKOIABDE-GFCCVEGCSA-N 320.308 5.128 30 10 DKEE C=CCCCCCCCN(CC)CCCOCc1ccccc1 2211145136 GRUCRAAHYBHMTA-UHFFFAOYSA-N 317.517 5.442 30 10 DKEE CCCCCCCCCCCOCCC=CBr 2216924738 NNJWOINGAXZMBU-UHFFFAOYSA-N 305.300 5.833 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1ccc(Cl)c(Cl)c1 2235532128 HFSBFCBDLYXYBC-KRWDZBQOSA-N 314.300 6.084 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cscc1Br 2250147538 JXHKSIDQQRTKKL-AWEZNQCLSA-N 316.308 5.298 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(Br)cc1Cl 2250158898 MHGSAFZLICHQTC-CQSZACIVSA-N 317.654 5.272 30 10 DKEE C=CCCCCC[C@H](OCCN)c1cc2sccc2s1 2292906846 AOICEKXSTCNTKA-ZDUSSCGKSA-N 309.500 5.116 30 10 DKEE CCCCCCCCC[C@](C)(CSCCC)OCCN 2293456874 FLTCXFDOMNMCCH-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE CCC(=NOCc1ccccc1Cl)c1ccc(SC)cc1 2330290152 XQFRXWUASUYPFH-UHFFFAOYSA-N 319.857 5.393 30 10 DKEE Cc1c(C)c(C2=CC(=O)CCCC2)c(C)c(C)c1Br 2348280454 IEOUJPUXDIGDBI-UHFFFAOYSA-N 321.258 5.209 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Cl)c(Cl)c1C)C(C)(C)C 2364416487 ZYKSFNYAYADCKI-MRXNPFEDSA-N 314.300 5.945 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1ccc(Cl)c(Cl)c1C 2366025595 UEIBHUCSVKUDMQ-CVEARBPZSA-N 314.256 5.445 30 10 DKEE C=C[C@@H](CCCCC)Oc1cc(Cl)c(C(=O)O)c(Cl)c1 2366404675 GNQGMFOSXMRRHD-JTQLQIEISA-N 317.212 5.205 30 10 DKEE C#CC[C@H](C)C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366417521 IRSYSJZJWHCAHN-XHDPSFHLSA-N 316.247 5.223 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1cc(Cl)cc(Cl)c1 37938345 NECOIYWEFGYCDW-CQSZACIVSA-N 311.599 5.324 30 10 DKEE Clc1cccc(/C=N\Nc2nc3ccccc3s2)c1Cl 38195948 HELVWCUXWGKRDJ-IUXPMGMMSA-N 322.220 5.049 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2ccc(Cl)c(F)c2)CC1 91883742 XBIKGIZOMOBEJA-PTXATLKXSA-N 309.812 5.013 30 10 DKEE CCCCCCCCOc1ccc(C=O)cc1C(F)(F)F 110311363 AKZFHLKDSMSFHB-UHFFFAOYSA-N 302.336 5.257 30 10 DKEE CCCCCCCCCCCCNc1c(F)cccc1Cl 122133186 MZGRIQVEXODFBE-UHFFFAOYSA-N 313.888 6.812 30 10 DKEE CCCCCCCCC[C@@H](NN)[C@H]1CCCc2sccc21 122224781 QXIFYWKRSBXISK-DOTOQJQBSA-N 308.535 5.141 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1c(Cl)cc(F)cc1Cl 123321910 RNKQBRGYWUKVMK-ZANVPECISA-N 301.192 5.017 30 10 DKEE CCCCCCCCCCC(=O)[C@H]1CCCc2sccc21 135635665 GESKDQQJRIGTJL-INIZCTEOSA-N 306.515 6.268 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)[C@H]1CCCS1 157650724 RVCPMGIIRQUSTN-RTBURBONSA-N 313.595 6.171 30 10 DKEE CCCCCCC[C@H](NCC)c1cc2c(s1)CCSC2 158175432 FELUQGKALLYLHZ-HNNXBMFYSA-N 311.560 5.549 30 10 DKEE CCCCCCCCC[C@H](N)c1occc1Br 166488275 QGGMFFXUPIAJRR-ZDUSSCGKSA-N 302.256 5.183 30 10 DKEE C=CCCCCC[C@H](NCC)c1csc(Br)c1 233547324 BCNNJDLTSPNQKV-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2cc(Cl)sc2Cl)cc1C 235925186 WPMGYOYRSVJLCK-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2cc(Cl)sc2Cl)CC1 312687886 LEFUAJAMNNUSMM-PEUVISTOSA-N 318.269 5.198 30 10 DKEE CCCCCCCCCCCC(=O)Cc1sccc1Cl 312859602 QLWYJRMAINOHFF-UHFFFAOYSA-N 314.922 6.434 30 10 DKEE CCCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCCC1 698382064 METYALWTUCLICS-LJQANCHMSA-N 322.493 5.419 30 10 DKEE CCCCCCCCC[C@](C)(N)c1ccc(Cl)c(Cl)c1 704492068 MIUBVKRXECIEJN-KRWDZBQOSA-N 316.316 6.308 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1 710740541 YDZREQDMHSLHMI-GOSISDBHSA-N 322.408 5.001 30 10 DKEE CSc1c(CC#N)sc2c(SC(F)(F)F)cccc12 725318700 WCDXVPARYZWKII-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C=C(C)Cn1c(COc2ccc(CCC)cc2)nc2ccccc21 1873515147 HDPDYEKGJDFFSL-UHFFFAOYSA-N 320.436 5.144 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1 1874631691 PJQYCTRIZUWAPQ-XYOKQWHBSA-N 306.405 5.154 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@@H](CS)C(C)(C)C)C(C)(C)C 1931998879 QREIMWBQXZRMNU-AEFFLSMTSA-N 321.574 5.515 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1cc(Cl)c(Cl)s1 2037458656 YBNHKNKLQKNQQX-SNVBAGLBSA-N 317.628 5.385 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(C)ccc1Br 2040535416 ZMARTFQGVAGQGJ-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccccc1Br 2053382546 IASYBNOZELIKSK-INIZCTEOSA-N 306.247 5.102 30 10 DKEE Cc1ccc(-c2cc(Cl)c(C#N)s2)cc1C(F)(F)F 2080387753 KRZFKWJUKJNCFK-UHFFFAOYSA-N 301.720 5.267 30 10 DKEE Cc1cc(C)c(NCC#CC2CCCCC2)c(Br)c1 2093451085 OOKDDZOLVIBGNQ-UHFFFAOYSA-N 320.274 5.062 30 10 DKEE N#C[C@]1(Cc2cccc(Cl)c2Cl)CCCC(F)(F)C1 2128424402 QBWRDNJORGVYCQ-ZDUSSCGKSA-N 304.167 5.255 30 10 DKEE CN(Cc1cc2sccc2s1)c1cc(Cl)ccc1C#N 2205539673 LPLUZXNYWBVKDR-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE C=CCCCCCCCN(C)Cc1ccc(Br)cc1 2227277193 WVPBJMXECOELSC-UHFFFAOYSA-N 324.306 5.408 30 10 DKEE CC1(CC(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)CCCC1 2235754981 BQSZHPUCGZUAHW-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE C[C@H](Nc1cc(C#N)ccc1Cl)c1cc(F)cc(Cl)c1 2238005325 ABOKYLFIOZMTCM-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCC[S@](=N)(=O)CCCCCCC1CC1 2239364392 CERAIZREEZXMRL-FQEVSTJZSA-N 301.540 5.754 30 10 DKEE CCCCCCCC[C@H](C)Nc1c(F)cc(F)cc1Cl 2240654324 QMMKVUYWLLAKGJ-LBPRGKRZSA-N 303.824 6.169 30 10 DKEE C=C(C)CCCC[C@@H](O)c1sc(CC)cc1Br 2250149960 GBWTUJGQESIGGZ-CYBMUJFWSA-N 317.292 5.243 30 10 DKEE Cc1ccc(Nc2c(Br)cccc2C#N)cc1Cl 2257495603 AOIDSHISVWRGIL-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1scc(Cl)c1Cl 2259193684 FRWYVDQPEYKDRP-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE CC(C)(C)C#CC=CCNc1cc(Cl)c(Cl)cc1Cl 2268762865 OKHDQZOGZAHFCS-UHFFFAOYSA-N 316.659 5.664 30 10 DKEE C=C(C)CCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 2271791707 ODATYWXTPCPUOT-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Br)ccc1C 2271834214 BEQKDXLVMQWVBL-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2cc(C)cc(C)c2)cc1 2296876036 RXSZEPHRMJCYJN-UHFFFAOYSA-N 323.436 5.291 30 10 DKEE CCC(=NOCc1cccc(Cl)c1)c1ccc(C)c(C)c1 2330246292 HKYILVUTSNNDOW-UHFFFAOYSA-N 301.817 5.288 30 10 DKEE CCCCCCCC[C@H](N)c1c(Cl)cc(F)cc1Cl 2335360860 KTSFCJFQXGOIBA-AWEZNQCLSA-N 306.252 5.883 30 10 DKEE C=CCC[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2338893944 WMDHWIGEFOCWJD-AWEZNQCLSA-N 300.273 5.179 30 10 DKEE Cc1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)cc1C 37346341 XNATZKLWKIPYEZ-HNNXBMFYSA-N 318.203 5.100 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(SC(F)F)cc1 59419327 IXQFCEDSPMSSGK-ZDUSSCGKSA-N 301.446 6.162 30 10 DKEE N#Cc1c(F)cccc1Nc1cc(Cl)c(Cl)cc1Cl 93396503 ZWBRTHPBIMMLHR-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCCCOCc1ccc(F)c(Br)c1 103977167 GLDZSCQLNIAPAI-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(F)cc(Br)c1 117661524 QGZCIDMLNFSHEO-OAHLLOKOSA-N 317.242 5.372 30 10 DKEE CCCCCCCCCCCC[C@H](Cc1ccsc1)NN 122729625 KEFZZMWPQNODSE-GOSISDBHSA-N 310.551 5.434 30 10 DKEE CCCCCCCCCCNc1cc(Cl)ccc1C(=O)O 129477486 PWBMVVKZNASSKQ-UHFFFAOYSA-N 311.853 5.591 30 10 DKEE CCCCCCCCCC[C@@H](O)[C@@H]1CCCc2sccc21 135557356 CETIPDVFZUFJTR-SJLPKXTDSA-N 308.531 6.060 30 10 DKEE CCCCCCC[C@H](NCC)[C@H]1CCC[C@H](C(F)(F)F)C1 139669612 CQTSWSUYQLVVEW-JYJNAYRXSA-N 307.444 5.694 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc2c(s1)CCC2 158972878 VTGOBRZSLRKGEC-KRWDZBQOSA-N 307.547 6.028 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCCC1)c1cccc(Cl)c1F 212366455 TXQLSZYQTQDQIQ-CQSZACIVSA-N 307.796 5.016 30 10 DKEE CC(C)c1cccc(Oc2ccc(C#N)cc2Br)c1 213313943 YUJCTXDLDUJEET-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE Cc1ccc(Sc2ccc(C#N)cc2Br)cc1C 213413365 ZYLZAXQMKBAQQS-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CC1(c2sc(C#N)c(N)c2-c2cccs2)CCCCC1 232831712 CNLROTWRMVSADQ-UHFFFAOYSA-N 302.468 5.152 30 10 DKEE Cc1ccc(C#N)c(Oc2cc(C)cc(Br)c2C)c1 686551255 VRCCKZGEGADZSD-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CCCCCCCn1c(S)nc2cc(F)c(Cl)cc21 703732236 BGCCUMXRFXBYCI-UHFFFAOYSA-N 300.830 5.088 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1sccc1Br 703947035 CGBPKPZGJQRIEJ-NSHDSACASA-N 316.308 5.154 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCCC1(C)C 719203370 DREJQVJCIOWAJG-KXBFYZLASA-N 322.493 5.275 30 10 DKEE CCc1ccc(/C(=N/OCc2cccc(Cl)c2)C2CC2)cc1 821226694 KLNUHGFVSGEWGK-VZCXRCSSSA-N 313.828 5.233 30 10 DKEE SCCCCCCN(Cc1ccccc1)Cc1cccs1 1915086552 JYJAEEUJFBWYQI-UHFFFAOYSA-N 319.539 5.241 30 10 DKEE CCC[C@@H](CS)CN(Cc1ccccc1)Cc1cccs1 1915086891 OGAJCHGZGQOFRJ-QGZVFWFLSA-N 319.539 5.096 30 10 DKEE C=C(C)CC[C@H](O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925632791 GEGNFSOUFGVWKS-INIZCTEOSA-N 319.445 5.040 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)CC2CCCCC2)C1 1946754829 UOCFZYHBMCQTKI-QIJUGHKUSA-N 324.512 5.397 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@H](C)C(C)(C)O 1980747632 KFBOOQGCSJPDNZ-LJQANCHMSA-N 319.533 5.399 30 10 DKEE C=CCCCCCCNc1cccc(Cl)c1Br 2026014331 HWZLIQILIIGJTA-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE CCc1cc(C(F)(F)F)cc(OC(F)(F)F)c1C(F)F 2060359429 JTTCGBXNOJMJGB-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1cc(Cl)sc1Cl 2092187454 FKFBYDQRQMEKMI-AAEUAGOBSA-N 324.317 5.166 30 10 DKEE C[C@@H](CC1=CCCCC1)Nc1ccc(C#N)c(Br)c1 2105127189 WVNATHIIXDRHNK-LBPRGKRZSA-N 319.246 5.012 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2scc(Cl)c2Cl)CC1 2125181499 UBMACYZWDHXBCJ-JTQLQIEISA-N 317.281 6.010 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H](O)c1cc(Cl)cs1 2148584614 XSRPICRBKRCIPM-GOEBONIOSA-N 317.926 5.164 30 10 DKEE CSc1ccccc1[C@H](C)Nc1ccc(C#N)c(Cl)c1 2152743728 JLFWQDFSXRDGDC-NSHDSACASA-N 302.830 5.107 30 10 DKEE N#C[C@@H](Sc1cccc(Cl)c1)[C@H]1CCC2(CCCC2)C1 2155223531 NOIXAUTXYQYVGR-XJKSGUPXSA-N 305.874 5.685 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2cccc(Cl)c2Cl)C1 2168548992 SOYHRKKZKBTIGZ-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE C=CCCCC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2179681049 LJKOIEQQTQBCTF-AWEZNQCLSA-N 314.300 5.651 30 10 DKEE C#CCCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2203940697 HCHSENXDXXNAEE-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205865530 KZUYWTHIQCALPI-CQSZACIVSA-N 305.512 5.874 30 10 DKEE C=CCCN(Cc1ccccc1)c1nc(Cl)cc2ccccc12 2212546810 STQWFQUCEFQDSQ-UHFFFAOYSA-N 322.839 5.471 30 10 DKEE C=CCCCCCCCNc1c(F)cccc1Br 2220094560 WKWBUNCVMPOOPT-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1ccc(Cl)c(Cl)c1 2231571602 FKYAXBJKFZACIY-OCCSQVGLSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Cl)cc(F)c1F 2235533241 SGPPPANZWAGBPC-UHFFFAOYSA-N 300.776 5.718 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccccc1NC(=O)OC(C)(C)C 2244624744 RLTYFUSSIOGHBQ-MRXNPFEDSA-N 318.461 5.170 30 10 DKEE C=CCCCCCCCSc1cc(Cl)sc1C=O 2259955114 NEZWVSZFDVLRBT-UHFFFAOYSA-N 302.892 5.833 30 10 DKEE CCc1ccc(C(=O)C=CSc2ccc(Cl)cc2)cc1 2297532182 FGXNSGNKVHRCRC-UHFFFAOYSA-N 302.826 5.391 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](SCc2cccc(Br)c2)C1 2318732423 OIWILDPOWATDQO-KYOSRNDESA-N 324.287 5.011 30 10 DKEE CC[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324708414 PHGQTRZQURCXQK-HNNXBMFYSA-N 322.404 5.097 30 10 DKEE CCCC(CS)(CCC)COC1C[C@H](C)S[C@@H](C)C1 2340171086 RJYCIQIFCJBAFG-KBPBESRZSA-N 304.565 5.192 30 10 DKEE N#Cc1cc(Br)ccc1OCC1CCCCCCC1 2342891607 DEIHEPBMRJNJDH-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE Cc1c(Cl)ccc([C@H](C)[C@@]2(C#N)CCCSC2)c1Cl 2353187062 VCGDYRKWFKYAGC-XHDPSFHLSA-N 314.281 5.442 30 10 DKEE Cc1c([C@@H](N)CC=CC#CC(C)(C)C)ccc(Cl)c1Cl 2364409737 WVHZFMYPDXKGIY-HNNXBMFYSA-N 310.268 5.297 30 10 DKEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1cc(F)c(Cl)cc1Cl 2377271348 WKXHFJCPDYLLPO-BETUJISGSA-N 314.231 5.206 30 10 DKEE N#Cc1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 19887287 MYQORDGLFQMFFD-AVCGJXAMSA-N 322.411 5.538 30 10 DKEE O=C1/C(=C\c2ccc3c(c2)Cc2ccccc2-3)CCc2ccccc21 39377116 DKLGOSUIBJFJIT-UYRXBGFRSA-N 322.407 5.470 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Sc1cccc(Br)c1 55307771 IELDFHQZZILYQW-SMDDNHRTSA-N 310.260 5.014 30 10 DKEE N#C[C@@H](CCCc1ccccc1)c1ccc(Cl)c(Cl)c1 57687258 ZGDQPZSNPZBMTR-OAHLLOKOSA-N 304.220 5.623 30 10 DKEE Clc1ccccc1/C=C\C=N\Nc1nc2ccccc2s1 59514300 URJFFDOXXDZWRF-FBNMAYGTSA-N 313.813 5.061 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Nc2ccccc2Br)CC1 86914246 XTAXBUCSFNVRQY-BBRMVZONSA-N 321.262 5.114 30 10 DKEE CCC(CC)(CS)CSc1cccc(Br)c1 87097953 VSWXMMJCTFVQNT-UHFFFAOYSA-N 319.333 5.277 30 10 DKEE CCCCCCCCCCCn1cnc2cc(C)c(C)cc21 102180556 TXVSATNQIZGFFI-UHFFFAOYSA-N 300.490 6.184 30 10 DKEE CCCCCCCOc1ccc2ccccc2c1Br 110450094 JJHKZJWFHVHLPY-UHFFFAOYSA-N 321.258 5.952 30 10 DKEE CCCCCCCCCCSc1nc(CC(=O)O)cs1 112720700 QMSJMWOJSZVLTA-UHFFFAOYSA-N 315.504 5.003 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(F)cc(Br)c1 118041145 YXUYERAIMGNFME-OAHLLOKOSA-N 316.258 5.209 30 10 DKEE CCCCCCCC[C@@H](CN)c1cccc(Br)c1 118659801 SPPVMDYXPMLZCQ-HNNXBMFYSA-N 312.295 5.242 30 10 DKEE CCCCCCCCCC[C@@H](NC)C1CCC(F)(F)CC1 143463910 XQLXPHUXRPOACJ-QGZVFWFLSA-N 303.481 5.931 30 10 DKEE CCCCCCCCCC(COCC)(COCC)C(C)C 145413107 GFZFVWYUBXYYOK-UHFFFAOYSA-N 300.527 5.843 30 10 DKEE CCSc1cccc(N[C@H](C)c2cc(C)sc2C)c1C#N 167581798 QVOKYYRFGWZWPQ-GFCCVEGCSA-N 316.495 5.522 30 10 DKEE C=C(C)[C@H](NCCC)c1ccc2cc(Br)ccc2c1 229751010 GKTNNRDPLSYNRF-KRWDZBQOSA-N 318.258 5.219 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Cl)cc(Br)c1 233160313 IRTZGIOXDWNDFT-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCCC[C@H](NCC)[C@H](C)OCc1ccccc1 404478987 QXHVEDWFQYGONM-FPOVZHCZSA-N 319.533 5.711 30 10 DKEE COc1ccc2cc(C(C)=NNc3ccc(Cl)cc3)ccc2c1 606346901 ZCGIUTCUARTPEJ-UHFFFAOYSA-N 324.811 5.338 30 10 DKEE CSc1cccc(NCc2cc3cscc3s2)c1C#N 693974589 ZZZHCRFGIXXHPQ-UHFFFAOYSA-N 316.476 5.168 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CCC(C(C)(C)C)CC1 700604262 JSHAECUWEHCUPD-UHFFFAOYSA-N 322.493 5.131 30 10 DKEE Fc1sc2cccc(SC(F)(F)F)c2c1C(F)(F)F 725304732 DROJJQOKNVLLQC-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE COc1ccc2ccccc2c1C=Nc1c(C)cc(C)cc1C 1084631024 NSIFMEVZJADIFT-UHFFFAOYSA-N 303.405 5.524 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(OC)cc1C 1865984803 KHAQFXGWMUYOCT-UHFFFAOYSA-N 319.489 5.863 30 10 DKEE C#CC[C@H](CC(=O)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887417361 NFKUJFLYSIHKJO-SNVBAGLBSA-N 315.627 5.269 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](NCC)c1ccc(Cl)s1 1921133442 QCXSNCNEPVJBDS-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@@H](NCC)C1CC(OCc2ccccc2)C1 1976705380 YMOAUZPDOYEKNR-XVAXZDLZSA-N 317.517 5.320 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCCC(C)(C)C1 1980286140 LSDWMLAYKXWATQ-DNVCBOLYSA-N 322.493 5.132 30 10 DKEE C=CCCCCCC[C@@H](O)c1csc(Br)c1 1995207569 XJHYTNPZIGUOPQ-GFCCVEGCSA-N 303.265 5.071 30 10 DKEE C=CCCCCCCCCOC(C)(C)CNCc1ccccc1 1995326313 WYEGFNLYCBRJRA-UHFFFAOYSA-N 317.517 5.488 30 10 DKEE C=C(COCc1ccccc1)C[C@@H](NCCC)c1ccccc1C 2003647122 PLXNEXODEUDJAU-JOCHJYFZSA-N 323.480 5.199 30 10 DKEE C=C(F)C[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2062214275 LWSMBJTXDGVILS-NSHDSACASA-N 310.627 5.561 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)cc1F 2085842659 SYATXGOYLDXETF-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(F)c(Br)c1 2085915256 DWCUEKYTGANMLE-OAHLLOKOSA-N 315.226 5.148 30 10 DKEE C#CC1(Oc2nc(Cl)c(Cl)cc2Cl)CCCCCC1 2119549635 ZUAXUSJQXWYFAI-UHFFFAOYSA-N 318.631 5.147 30 10 DKEE C=CCCCCCCCCCNc1ccc(Br)cc1 2142452711 KGHBCTNSJJMMBR-UHFFFAOYSA-N 324.306 6.168 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H](O)c1cscc1Cl 2148585119 ATAORXXFZRKFHL-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@H](COc1ccc(Cl)cc1Cl)NC 2152445864 MOJLVPLBYANQMZ-CQSZACIVSA-N 318.288 5.321 30 10 DKEE CC[C@H]1CC=C(C(=O)c2ccc(-c3cccs3)s2)CC1 2205871590 KJRXFRKDZVKNMA-LBPRGKRZSA-N 302.464 5.796 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H](O)c1csc(Cl)c1 2207375771 HIWXOHMCGUHEKZ-INIZCTEOSA-N 314.878 5.311 30 10 DKEE C=CCCCCCCCC[C@H](NCC)[C@H]1CSCCS1 2207437683 QSNBTUPEMMFYOA-DLBZAZTESA-N 315.592 5.120 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)C1CCCCC1 2211147526 ZWOCKZSHUYQDLE-UHFFFAOYSA-N 313.529 6.348 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Br)oc1C 2220092383 KREQSFSDHGOGPG-CQSZACIVSA-N 315.251 5.301 30 10 DKEE C=CC[C@H](CN[C@H](C)CC)Cc1cccc(Cl)c1Cl 2231483489 LYIKSCLJHQLURP-OLZOCXBDSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCCC(=O)[C@H](O)c1cc(C)c(Cl)s1 2235527371 UXXGYIUCVFKHPL-HNNXBMFYSA-N 314.878 5.229 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccsc1C(F)(F)F 2240624723 AXXVCSQFGOIFOV-CQSZACIVSA-N 307.425 5.691 30 10 DKEE CCCCC[C@H](CC)Nc1c(Br)cccc1C#N 2257483292 DVNWENBSEDXITB-ZDUSSCGKSA-N 309.251 5.092 30 10 DKEE CC(C)(C)C#CC=CCn1ccc2cc(Br)ccc21 2268759148 NCRTWKUEPUFROF-UHFFFAOYSA-N 316.242 5.010 30 10 DKEE CCCCCCC[C@H](NCC)c1ncc(C(C)(F)F)s1 2279199815 XQYFSYDLWCUNKA-LBPRGKRZSA-N 304.450 5.266 30 10 DKEE CN[C@@H](CC#CC1CCCC1)c1cc(Cl)c(Cl)cc1C 2289854126 GURANXWZDZAGQG-KRWDZBQOSA-N 310.268 5.146 30 10 DKEE C=CCCCCCC[C@@](C)(OCCN)c1csc(Cl)c1 2294006646 OGGWSVLWSZRXPO-MRXNPFEDSA-N 315.910 5.119 30 10 DKEE Cc1cccc2nc(C(C)(C)C)c(N=Nc3ccccc3C#N)n12 2295926387 WYVXJBONYXGCKI-UHFFFAOYSA-N 317.396 5.227 30 10 DKEE CCCCCCCCC=CCC=CCC=CCCCC(=O)O 2297732103 UNSRRHDPHVZAHH-UHFFFAOYSA-N 306.490 6.441 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(C)c(Br)cc1C 2344377016 RSQYABKCXGEERS-MRXNPFEDSA-N 324.306 5.319 30 10 DKEE CSc1cc(N[C@H](C)c2ccc(Cl)s2)ccc1C#N 2353830353 CFHFUTFEXUWYDQ-SECBINFHSA-N 308.859 5.168 30 10 DKEE C=C([C@H](NCCC)c1ccc(F)c(C)c1Cl)[Si](C)(C)C 2364125674 XAWDOUQVLCFVLA-INIZCTEOSA-N 313.920 5.262 30 10 DKEE Cc1ccc(/C(=N\c2ccccc2)SCc2ccccc2)cc1 5380141 AJSJFQZTHFILLN-QURGRASLSA-N 317.457 6.007 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccccc1C)[C@@H]1CC=C[C@H]21 14478923 RTCFHAXKLLFYML-UEXGIBASSA-N 317.432 5.386 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)c(Cl)c1 83193906 LIFSSNZTPXLLNI-DHZHZOJOSA-N 314.812 5.333 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(Br)cc2F)C1 87972770 FQYILGBRIPDWSF-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE CCCCCCCCCNCc1ccc(Br)cc1 104591907 ODFYQTDJUBVRLF-UHFFFAOYSA-N 312.295 5.289 30 10 DKEE CCCCCCCCCN(CCC(=O)O)c1ccc(C)cc1 105480739 FINQNFVWPLVYCW-UHFFFAOYSA-N 305.462 5.027 30 10 DKEE CCCCCCCC[C@H](N)Cc1ccc(Br)cc1 109718546 HEBJUHJFTBWKML-INIZCTEOSA-N 312.295 5.070 30 10 DKEE C=CCSc1ccccc1N[C@H](CC)c1ccc(F)cc1 109901015 AJUHELKNLNABJB-MRXNPFEDSA-N 301.430 5.667 30 10 DKEE N#Cc1cc(NCc2sc3ccccc3c2Cl)ccc1F 109947498 PTNLKMFURMDOKQ-UHFFFAOYSA-N 316.788 5.178 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(F)cc1C#N 111037143 GQZKSJCMRSNIEI-UHFFFAOYSA-N 303.764 5.575 30 10 DKEE CCCCCCCC[C@H](NC)c1cc2cc(F)ccc2s1 140422389 LLKDPHZTMIOKRX-INIZCTEOSA-N 307.478 6.052 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Br)ccc1C 167677922 IXKMWPHAOGMNSV-INIZCTEOSA-N 310.279 5.155 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1cc(Cl)cc(C(F)(F)F)c1 169103594 SNJYBEPLAAJALG-QMTHXVAHSA-N 316.754 5.243 30 10 DKEE CC(C)(C)[Si](C)(C)C#C/C=C/C#C[Si](C)(C)C(C)(C)C 195754651 ZYOMPLHZOSIBPC-VAWYXSNFSA-N 304.626 5.645 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1scc(C)c1Cl 232948462 OCEKNPRPRIZPAE-CQSZACIVSA-N 316.942 5.745 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2 250519599 YZHDEBJQFFZIAQ-VIZSFHNOSA-N 322.411 5.538 30 10 DKEE C=CCn1c(SCCCC)nnc1-c1ccc2ccccc2c1 253559819 AANAFSCDBHVZGF-UHFFFAOYSA-N 323.465 5.177 30 10 DKEE CC(=NNc1ccc2ccccc2n1)c1ccc2ccccc2c1 254656551 ZUCSMUVLBYBTSX-UHFFFAOYSA-N 311.388 5.224 30 10 DKEE CCCCCCCCCOc1cc(Br)ccc1C#N 308143023 IIRWZLVECIKXFR-UHFFFAOYSA-N 324.262 5.450 30 10 DKEE CCCS[C@H]1CCCN(CCCCCCCCCS)C1 383044515 LSQMHQDJJISDJC-KRWDZBQOSA-N 317.608 5.255 30 10 DKEE CCCCCCCC[C@H](NC)c1coc(Br)c1 393575566 QCNSMJKJKSNJKB-ZDUSSCGKSA-N 302.256 5.053 30 10 DKEE O=C(C=C1CCCCC1)c1cc(C(F)(F)F)ccc1Cl 406020701 CTOHWXZKCPIGPR-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCC[C@](C#N)(C1CC1)N(C(=O)OC(C)(C)C)C1CCCCC1 698373018 CWTWSTSPXHOXIE-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C#CCCCCC[C@H](NCC)c1csc(C(F)(F)F)c1 718681579 MLIYQJUGQISMGD-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCCCCNCc1cccc(Cl)c1Br 719460785 YSLAHBBSAAEUMK-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@](C#N)(CC)CC1CCCCC1 720366824 KEQGRGMVQYYDNB-LJQANCHMSA-N 320.477 5.052 30 10 DKEE COc1cc(C=Nc2ccccc2)ccc1OCc1ccccc1 1084486086 LTLWZPIVQCOUGH-UHFFFAOYSA-N 317.388 5.025 30 10 DKEE N#Cc1cc(Cl)cc(-c2cc(Cl)c(Cl)cc2Cl)c1 1848360157 YRBRMBUIBJECHO-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=C([C@@H](NCC)c1cc(Cl)sc1Cl)[Si](C)(C)C 1922860871 RRYTWMYPAUSZLL-LLVKDONJSA-N 308.350 5.139 30 10 DKEE C=CC1(CC(=O)c2cccc(Br)c2Cl)CCC1 2002611897 ANZDHTVFMNZAMR-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE CC[C@@](C#N)(Cc1cc(Cl)cc(Br)c1)C(C)C 2012417481 UBZHBODVYDWGJQ-AWEZNQCLSA-N 314.654 5.221 30 10 DKEE CC(C)(COCCCCCCCCCS)C(F)(F)F 2094254002 MBIJRYRRXXSOCY-UHFFFAOYSA-N 300.430 5.252 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1 2096545620 NBLMYLWUBBKYTE-BLLLJJGKSA-N 300.273 5.779 30 10 DKEE C=CCCC[C@H](Cc1ccc(C)c(Br)c1)NCCC 2116486262 NVFUHLKVHPIJKY-MRXNPFEDSA-N 324.306 5.025 30 10 DKEE Cc1c(Br)cccc1C(=O)C1=CC[C@@H](C(C)C)CC1 2125179780 DXFHSVQYBZULTL-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE CCCCCC#CC[C@](O)(CC)c1cccc(Br)c1 2138950849 NPRKKEVQMYIDFU-QGZVFWFLSA-N 323.274 5.021 30 10 DKEE C=CCC[C@H](C)[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2164005873 GNLABPGHQUROID-YVEFUNNKSA-N 305.874 5.671 30 10 DKEE C=C1CCC(C[C@@](C)(N)c2ccc(C(F)(F)F)s2)CC1 2196590860 CVTURAVAOLLQTI-CQSZACIVSA-N 303.393 5.077 30 10 DKEE CC1(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)CCCCC1 2203958561 VLMRDFIYRSDWRQ-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE C=CCCCCCC[C@H](NN)c1cc2sc(C)cc2s1 2206892302 QEEDTKHBPDAPEC-ZDUSSCGKSA-N 308.516 5.302 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1ccc(SC)s1 2207442389 QNWQWXQTCGKBJO-OAHLLOKOSA-N 311.560 6.167 30 10 DKEE C=CCCCCCCCCNc1cc(Cl)c(C)c(Cl)c1 2207443278 YQTJJOPUYBBZLM-UHFFFAOYSA-N 314.300 6.630 30 10 DKEE C=CCCCCCCCN(C)[C@H]1CC[C@@H]1OCc1ccccc1 2211146511 QVHCLXKPNLLRMF-SFTDATJTSA-N 315.501 5.193 30 10 DKEE O[C@@H](CCCC(F)(F)C(F)(F)F)c1cc(C(F)F)cs1 2240427631 USZDSFGIOLIXTE-ZETCQYMHSA-N 324.261 5.087 30 10 DKEE C=C(C)CCCC[C@](C)(N)c1ccc(OCc2ccccc2)cc1 2250144141 ZMELQPWEGBBGFO-QFIPXVFZSA-N 323.480 5.576 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1OC 2264376359 DHKXRFFVYDKQFV-CQSZACIVSA-N 305.245 5.396 30 10 DKEE CCCCC[C@H](CC)N(C)c1c(Br)cccc1C#N 2269698260 RYHRYDPUJVMCMZ-AWEZNQCLSA-N 323.278 5.116 30 10 DKEE CCCC[C@H](CC)CSCC1(CS)CCCCCC1 2278373223 NPKVYTJTISGGFH-INIZCTEOSA-N 302.593 6.206 30 10 DKEE C=C(C)CCCC[C@H](COc1ccc(Cl)cc1Cl)NC 2287466847 JISGVUISGSXFIP-CQSZACIVSA-N 316.272 5.097 30 10 DKEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1csc(Cl)c1 2291767167 MBKSPLYYMJBCHX-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE C=CCCCCCCC[C@@H](OCCN)c1csc(Cl)c1 2292652593 LHEHFGMFYVNKIM-OAHLLOKOSA-N 315.910 5.335 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1ccc(Cl)c(Cl)c1 2292798242 MWGLRGZEDVDVOS-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(Br)c(Cl)c1 2304058950 LMAPTBWBXOAUKI-CQSZACIVSA-N 315.638 5.278 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2319289923 ZQHICNBDWHLATH-AWEZNQCLSA-N 306.664 5.654 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2344378431 GFKBYRQUGAKGIU-ZUZCIYMTSA-N 320.691 5.900 30 10 DKEE CC[C@]1(C)CCSC(=Nc2cc(C3CC3)ccc2Cl)N1 2363383363 AJGQKWDNXXRCCF-MRXNPFEDSA-N 308.878 5.100 30 10 DKEE C#CCN(Cc1ccc(Cl)c(Cl)c1C)C1CCCCC1 2364009680 BTMYAKVMOCMXJX-UHFFFAOYSA-N 310.268 5.070 30 10 DKEE CCCc1c(-c2cccc(Cl)c2Cl)sc(C#N)c1N 93074492 NSCRZCINHXUZBQ-UHFFFAOYSA-N 311.237 5.128 30 10 DKEE CCc1ccc(C(=O)/C=C\Nc2ccc(Cl)c(Cl)c2)cc1 101494754 FFMVCTUICPJPKP-KTKRTIGZSA-N 320.219 5.364 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2cc(Cl)ccc2Cl)cc1C 103030713 XZWJKJMYXSXTSL-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE CC[C@@H](C)Oc1cccc(Nc2ccc(C#N)cc2Cl)c1 110258104 PEWNWVNNJZQGAL-GFCCVEGCSA-N 300.789 5.133 30 10 DKEE C=C(C)CCC(=O)c1cc(C(F)(F)F)ccc1Br 123300609 HVXRTEQFVGFPCB-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE CCCCCCCCCC[C@@H](CSC1CCCCC1)NN 126644226 JZFDKWKUQUXKFN-KRWDZBQOSA-N 314.583 5.415 30 10 DKEE CCSc1cccc(Nc2ccc(Cl)c(Cl)c2)c1C#N 136608801 ZCBWWUZCDOYNNT-UHFFFAOYSA-N 323.248 5.721 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(C(F)(F)F)cn1 139530104 YOEWKNJBUJIGNS-AWEZNQCLSA-N 302.384 5.241 30 10 DKEE N#C[C@H](C(=O)CC1CCCCCC1)c1c(F)cccc1Cl 162025686 QHVZGYCANJCKGF-CYBMUJFWSA-N 307.796 5.016 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(Cl)c(Br)c1 236315834 HWNJKTIZDYECQE-CQSZACIVSA-N 316.670 5.239 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@@H]1CS[C@@H](C)[C@H](C)S1 300278463 XEKJAIAYAFJTJF-QAETUUGQSA-N 315.592 5.117 30 10 DKEE CCC[C@@](C#N)(Nc1ccc(Br)cc1)C1CCCC1 313485030 WNROVLCYXDYGEN-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCCCCCCCC[C@@H](O)c1cnn(Cc2ccccc2)c1 394456789 DSTGXYXJRJEHPU-HXUWFJFHSA-N 314.473 5.106 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cscc1Br 404916720 WPFKTWQIFWKQHA-CQSZACIVSA-N 316.308 5.298 30 10 DKEE CCCCCCCCC[S@@](=O)Cc1ccc(C(C)C)cc1 586379065 RNUCYMUSXFQTRT-OAQYLSRUSA-N 308.531 5.809 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1NC[C@H](C#N)C(C)(C)C 691057405 AFAOLDADAZLEHC-SFHVURJKSA-N 322.452 5.172 30 10 DKEE N#C[C@]1(Cc2cc(Cl)sc2Cl)CCCCC12CCC2 1883075694 WZWQZGNPBZUZFJ-OAHLLOKOSA-N 314.281 5.852 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1C 1975919913 NZVRMSFQFIRDCQ-CYBMUJFWSA-N 317.429 5.127 30 10 DKEE C=CC1CC(Nc2c(Cl)cc(Cl)cc2Br)C1 1994000584 HHTYJIALRYVDKU-UHFFFAOYSA-N 321.045 5.132 30 10 DKEE Cc1ccc(Br)c(C(=O)C2=CCC(C)(C)CC2)c1 2061173939 LSXQKRJGDYSTSP-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C#Cc1cnn(-c2ccc(C(F)(F)F)cc2C(C)C)c1C(C)C 2069767314 QQCRVWRWEPRJFI-UHFFFAOYSA-N 320.358 5.119 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(Cl)cncc1Cl 2093393995 USEZVNURGYWKBD-CQSZACIVSA-N 304.261 5.563 30 10 DKEE C=CC1(C[C@@H](NCC)c2ccc(C)c(Br)c2)CCC1 2111717977 HTWBOZWWWSGXEQ-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE C=C1C[C@H]1C[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164165179 IMBHZGKJPNSYPV-SWLSCSKDSA-N 303.858 5.295 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1ccc(C(F)(F)F)cc1Cl 2179255402 WGASNLHZTBEZEH-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE CCCCCC#CCNc1ccc(Cl)c(C(F)(F)F)c1 2203785349 NGOSCDHZZZGQDJ-UHFFFAOYSA-N 303.755 5.354 30 10 DKEE C=CCC[C@H](C)NCc1c(Br)sc2ccccc12 2217908785 DRHNEQLCFHOMAQ-NSHDSACASA-N 324.287 5.108 30 10 DKEE N#Cc1ccc(SCCCCCC2CC2)cc1Br 2220023812 YUZKUARKGVNFBW-UHFFFAOYSA-N 324.287 5.383 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(Br)cc1CC 2229192727 ICXDGXDTGKYXIS-KRWDZBQOSA-N 324.306 5.409 30 10 DKEE C=C[C@@H](CCCCC)Oc1c([N+](=O)[O-])ccc(Cl)c1Cl 2239494883 JPKKWBKUPAYWTG-JTQLQIEISA-N 318.200 5.415 30 10 DKEE C=C(C)CCCC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2259231415 JNYOVZWMGQHDRW-GFCCVEGCSA-N 307.648 5.817 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc(Cl)sc1C 2277245802 OJNWVCVJNQVNEH-AWEZNQCLSA-N 303.899 5.087 30 10 DKEE CC(=CC(=O)c1ccc(C)o1)Nc1cc(Cl)ccc1Cl 2297368736 CSDFOPAGVGBDMT-UHFFFAOYSA-N 310.180 5.093 30 10 DKEE C=CCC(CC=C)NCc1c(Cl)ccc(Cl)c1Cl 2313652327 VSVYQHPXZAOKET-UHFFFAOYSA-N 304.648 5.257 30 10 DKEE CCCN[C@H](C#CC1CC1)c1c(Cl)ccc(Cl)c1Cl 2337578982 XXIYWBGTDPUUMA-CYBMUJFWSA-N 316.659 5.101 30 10 DKEE CCCN[C@H](C#Cc1cccs1)c1ccc(Cl)c(Cl)c1 2363536273 CNMSPEIWFOTRHO-MRXNPFEDSA-N 324.276 5.147 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccc(Cl)c(Cl)c1C 2364053866 PBFGYSXGYRTGKM-GXTWGEPZSA-N 314.300 5.425 30 10 DKEE CC[C@@H](Nc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 37202981 FXHJJUGVQNCUIS-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE CCOc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(C)cc1 83192696 WUCHLNJDGAATPT-ACCUITESSA-N 322.448 5.587 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(Cl)ccc1Cl 110216783 XXNFZAULLNONFO-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE C[C@H](c1ccc(Cl)cc1)N(C)c1cc(Cl)ccc1C#N 110258450 GESYEGIYRQDMJC-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCCC[C@@H](O)c1cccc(Br)c1 112885501 FRQJGBVNCGJHOI-MRXNPFEDSA-N 313.279 5.623 30 10 DKEE CCCCCCCCCOc1ccc(C(N)=S)cc1Cl 113055285 GEAPSKBHKVCYAJ-UHFFFAOYSA-N 313.894 5.104 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(F)ccc1Cl 127681425 SKHSQCMHGAPJIN-MRXNPFEDSA-N 300.849 5.124 30 10 DKEE CCCCCCCCNc1ccc(Cl)cc1Br 131466438 MKTGRDKXPQVQOQ-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCCCS1 157637145 VGDSRSOIQAVYJI-ROUUACIJSA-N 300.552 5.944 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)cc(Cl)c1 159107279 IOIGVOOPWIRZBB-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(F)ccc1C(F)(F)F 163964370 UPPBADWHNWQIBN-OAHLLOKOSA-N 305.359 5.595 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(Br)ccc1C 234456299 YENRISQLGVLYBN-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE Fc1ccc(C(N=Nc2ccccc2)=NNc2ccccc2)cc1 254438941 IHGJDEDZGVMUGG-UHFFFAOYSA-N 318.355 5.383 30 10 DKEE N#Cc1c(F)cccc1Nc1cccc(OCc2ccccc2)c1 310409094 INVVBWNEWXHSTE-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CCCCCCCCCC[C@H](NCCC)[C@H](C)CSC 383394265 VCTQJDTZSFRTGV-MSOLQXFVSA-N 301.584 5.885 30 10 DKEE CC[C@@H]1CCC[C@@H](Nc2ccc(Br)c(C#N)c2)CC1 709685602 NQHSETWMQJSRKI-TZMCWYRMSA-N 321.262 5.092 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(Br)cc1C 715814408 RKMOUONOPBWXNY-LRDDRELGSA-N 310.279 5.010 30 10 DKEE FC(F)c1sc2cccc(C(F)(F)F)c2c1C(F)(F)F 725324646 NUFHSIYARBRCDX-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)CC1(CS)CCCCC1 1931997878 FAPAQRGSIAUCST-GOSISDBHSA-N 319.558 5.413 30 10 DKEE C=CCCCCC(=O)C1CC2(CC(OCc3ccccc3)C2)C1 1984515874 PHPPRBUVUWKDEE-UHFFFAOYSA-N 312.453 5.078 30 10 DKEE C=CCCCC[C@]1(N)CCC(C)(C)C[C@@H]1OCc1ccccc1 1984517225 BEONYDHBUMWNTC-FPOVZHCZSA-N 315.501 5.226 30 10 DKEE C=CCCCCCCCCCN[C@@H](C)COCc1ccccc1 1995324796 BGBFQGPNJQCTTN-FQEVSTJZSA-N 317.517 5.488 30 10 DKEE C=CCCCCCCCC[C@@]1(O)CC[C@H]1OCc1ccccc1 1995326490 YQSLJBNZXDETEA-NHCUHLMSSA-N 316.485 5.404 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Cl)sc1Cl 2040534818 VHYPPKKJYWQBBC-GWCFXTLKSA-N 306.302 5.698 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cccc(Br)c1 2138962731 HVKZADIVAGNIDD-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(C)ccc1Br 2141905510 MCGHXIOXVZMFDH-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=CC1(C[C@H](NCCC)c2cc(Cl)cc(Cl)c2)CCC1 2168022717 HRPDSYWKLRMSDQ-INIZCTEOSA-N 312.284 5.781 30 10 DKEE C[C@H]1CC=C(C(=O)c2cccc(SC(F)(F)F)c2)CC1 2181246107 FBKZVTUZFDOULW-JTQLQIEISA-N 300.345 5.228 30 10 DKEE CCCCCCCCCN(C)[C@@H](C)C(F)(F)C(F)(F)F 2195534515 BOKDTBMOHSLUKO-LBPRGKRZSA-N 303.359 5.255 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203962586 QPLYATGOCSDWJJ-XHDPSFHLSA-N 312.240 5.242 30 10 DKEE CC(C)(C)OC(=O)N1CCC[C@]1(C#N)CCCCCCC1CC1 2210527989 YSOZGRYZCHTGCS-IBGZPJMESA-N 320.477 5.030 30 10 DKEE C=CCCCCCCC[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C1 2211144090 YWINIJFPYNLBBB-IBGZPJMESA-N 320.477 5.054 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1ncc(SC)s1 2235521293 IEWTXVAVWCBWRO-CQSZACIVSA-N 312.548 5.432 30 10 DKEE CCC[C@@H](CC)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2244770856 FFEIOIGLUSWDAQ-WBVHZDCISA-N 322.493 5.275 30 10 DKEE N#CC1(Sc2cccc(Br)c2)CCCCCCC1 2263167077 PJJFYZCFLFSMOY-UHFFFAOYSA-N 324.287 5.548 30 10 DKEE CCCCCCCCC[C@@H](C)Nc1cc(Cl)cc(Cl)c1 2295671479 QWMSYHCRVNCBMF-CQSZACIVSA-N 316.316 6.935 30 10 DKEE CCc1ccc(C(=O)C=Cc2ccc(-c3ccccc3)o2)cc1 2297616325 ARWFBGWTTZTVPK-UHFFFAOYSA-N 302.373 5.405 30 10 DKEE C=CCC(CC=C)C(=O)c1cc(Br)ccc1Cl 2301009717 LNIBONQJFUDUPB-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1c(C)sc(C)c1Br 2304026798 CSBKSCYHQSYINM-UONOGXRCSA-N 316.308 5.120 30 10 DKEE CC(C)(C)[C@@](C)(CS)COCCCCCC(F)(F)F 2352175104 WPTMOIKRNHDNHU-CYBMUJFWSA-N 300.430 5.108 30 10 DKEE C[C@H](CCS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N)C(F)F 2363933841 CEHFDUKTRLQRGA-XJFOESAGSA-N 303.462 5.365 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C)s1)N2 20689512 QMAYNARSSBVOMW-QINHECLXSA-N 323.461 5.448 30 10 DKEE SCC1(CSc2ccccc2Br)CCCC1 87096744 VRJKENDCBXZJJY-UHFFFAOYSA-N 317.317 5.031 30 10 DKEE COc1ccc(/N=C/c2ccc(Sc3ccccc3)o2)cc1 100349812 SVAJZURQHQNJJJ-CPNJWEJPSA-N 309.390 5.190 30 10 DKEE CCCCCCCOCc1ccc(F)c(Br)c1 109975535 RYCNMWARTMWIDF-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE CCCCCCC[C@](C)(C#N)Nc1cccc(Br)c1 110028812 DUVXMPUAXFPAAM-MRXNPFEDSA-N 323.278 5.504 30 10 DKEE CCCCCCCCO[C@@H](CNCC)c1ccc(Cl)cc1 110070417 OHUYQPIDFKQQFT-SFHVURJKSA-N 311.897 5.368 30 10 DKEE CCCCCCCCCC[C@H](O)CSc1ccccc1C 116740480 YAGKINCHBPIPTO-SFHVURJKSA-N 308.531 5.979 30 10 DKEE CCCCCCCCCCCC[C@](C)(O)c1ccc(C)s1 126945830 IBTXSUQIAOAIPT-IBGZPJMESA-N 310.547 6.575 30 10 DKEE CCCCCCCCCOc1cccc(Cl)c1CNCC 127589337 GZODPSYKOJONOH-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE N#Cc1cc(Sc2ccc(F)c(F)c2)ccc1C(F)(F)F 164514441 VWUWHZBNSQVBFG-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE CC(C)c1cccc(-c2ccc(C#Cc3ccccc3)s2)c1 197005016 BBMQFOPDOMBOGV-UHFFFAOYSA-N 302.442 5.938 30 10 DKEE CCCCCCCCCCCC(=O)N[C@@H](C)C1CCCCC1 209241322 AOOKJYBIYQLJIO-SFHVURJKSA-N 309.538 5.992 30 10 DKEE CCCCCCCC[C@@H](NC)c1coc(Br)c1 393575565 QCNSMJKJKSNJKB-CYBMUJFWSA-N 302.256 5.053 30 10 DKEE CCCCCCCCCCCCNCCNCc1ccccc1 395682508 SBLOJGANXRNYLN-UHFFFAOYSA-N 318.549 5.287 30 10 DKEE C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21CS1 504528921 JFDOJKGTOKPEKW-GPBSYSOESA-N 316.510 5.004 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C(F)(F)F)cc1 514260926 DPVSHCSXZNKEDR-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1ccsc1Cl 687836146 JSLQCPZROLDVFV-MRXNPFEDSA-N 315.954 6.192 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)CCC1CC1 698870758 XMHKZFOXMVOEFD-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE CCCCCCCCCCCCCCOc1ccc(N)c(F)c1 1615948502 HRDDYMAGNZKPGM-UHFFFAOYSA-N 323.496 6.488 30 10 DKEE CCCCCCCSc1nc(-c2ccc(C)c(C)c2)cs1 1860797735 XPCHXIFUNUBERF-UHFFFAOYSA-N 319.539 6.489 30 10 DKEE N#Cc1c(Cl)cccc1OCc1cc(Cl)cc(Cl)c1 1893165150 FAIJYBHGEGREDH-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CCCCC2)C1 1915902409 NLLGFPXCNIYVIE-LJQANCHMSA-N 320.477 5.030 30 10 DKEE CCCCCCCCO[C@@](C)(C(=O)O)c1ccc(Cl)s1 1919745659 RXGMPKCZMKPAFO-OAHLLOKOSA-N 318.866 5.078 30 10 DKEE CCCCCCCCC[C@H](N)c1csnc1Br 1925232446 OXRDCERZMBMMPP-LBPRGKRZSA-N 319.312 5.046 30 10 DKEE C=CC1(C[C@@H](N)c2cscc2OCc2ccccc2)CCC1 1960781126 QHKSALIYHJATFP-QGZVFWFLSA-N 313.466 5.073 30 10 DKEE C=CCCCC[C@H](O)c1cccc(C)c1NC(=O)OC(C)(C)C 1984561612 RCJXOKBIHDBDCX-INIZCTEOSA-N 319.445 5.122 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)cc(Br)c2)CCCC12CC2 2053386931 QNISDQGVJYIJJB-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE CCCCCCC[C@H](NC)[C@@H](O)c1cc(Cl)c(Cl)s1 2098747631 UGBQYHJFPILTKE-WCQYABFASA-N 324.317 5.037 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(C)c(Br)c1C 2107977687 PJIOUHSFHFHCSJ-DYVFJYSZSA-N 324.306 5.319 30 10 DKEE Cc1cc(C(=O)C2=CC[C@@H](C(C)C)CC2)ccc1Br 2125179879 FQFARGQJDUYMKK-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE CCCCCCCC[C@@H](C#N)Nc1cccc(Br)c1 2142468832 FEVXDEWUZNTZJW-INIZCTEOSA-N 323.278 5.504 30 10 DKEE C=C(C)[C@@H](NCCC)c1ccc(-c2ccccc2Cl)s1 2164220019 IFGHCXDAUWMXHY-QGZVFWFLSA-N 305.874 5.685 30 10 DKEE CCCCCCCCN(C)[C@@H](c1ccc(Cl)s1)[C@@H](C)N 2196735760 ACVUPIXIKOUPFR-CZUORRHYSA-N 316.942 5.082 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1c(Cl)cccc1Cl 2197140321 SACWSRWJDKUENZ-KRWDZBQOSA-N 306.236 5.357 30 10 DKEE CCCCC#CC[C@H](NCCC)c1c(Cl)cccc1Cl 2203822634 KSFCRLREFTUBTL-INIZCTEOSA-N 312.284 5.618 30 10 DKEE C[C@H](NCCC#CC(C)(C)C)c1cc(Cl)sc1Cl 2222835251 OJFZPCGZLYSJPK-JTQLQIEISA-N 304.286 5.145 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1ccc(Br)cc1 2227290069 YHXIDAJAJPQNIT-QGZVFWFLSA-N 324.306 5.236 30 10 DKEE FC(F)(F)Oc1ccc(SC[C@@H](CS)CC2CC2)cc1 2235920278 WVGBMRIKUMDXBI-LLVKDONJSA-N 322.417 5.023 30 10 DKEE CCCCCCCC[C@@H](C)NCc1cc(C(F)F)cs1 2240636878 BVMZTOSXRUYUIW-CYBMUJFWSA-N 303.462 5.914 30 10 DKEE O=C(C=C1CCCCC1)c1scc(Br)c1Cl 2242656298 LXVXQTCFMAQLMQ-UHFFFAOYSA-N 319.651 5.237 30 10 DKEE CCCCCCCOc1cc(Cl)sc1CNC1CC1 2272698140 LNNBNIMSMYHWDW-UHFFFAOYSA-N 301.883 5.003 30 10 DKEE CO[C@H](CSCCCCCCCCCS)C1CCCC1 2284026204 BAYQBPDPZMFCAO-QGZVFWFLSA-N 318.592 5.585 30 10 DKEE CCCCCCCCCC[C@@H](N)c1csc(Cl)c1OC 2284267552 ICJXWFUBLYXYKQ-CQSZACIVSA-N 317.926 5.941 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(C(F)(F)F)ccc1Cl 2287416393 YYTXDXZUMQXCTN-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE CC(C)(C)[C@@](C)(CS)COc1ccc(Cl)c(Cl)c1 2327164636 BSZWMCQZFIUATC-CQSZACIVSA-N 307.286 5.354 30 10 DKEE CC[C@@](C=O)(C(C)C)[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353222173 KKHOQIIXFBTZNW-BLLLJJGKSA-N 301.257 5.657 30 10 DKEE Cc1c(COCCCCC(C)(C)C#N)ccc(Cl)c1Cl 2365033309 YYPQWOFXWIYMAU-UHFFFAOYSA-N 314.256 5.539 30 10 DKEE Cc1ccc(-c2ccc(/C=C\C(=O)c3ccccc3)o2)cc1Cl 33436557 UKRDBBGXFWWHJG-LUAWRHEFSA-N 322.791 5.805 30 10 DKEE CC[C@H](Nc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 37202980 FXHJJUGVQNCUIS-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE CCCC1CC(C#N)(Sc2cccc(Br)c2)C1 90247884 LXCYCUXVLJZPEU-UHFFFAOYSA-N 310.260 5.014 30 10 DKEE CCCCCC[C@@](C)(O)C#Cc1ccc(Oc2ccccc2)cc1 95633840 FHJRIOGZGBUZDY-JOCHJYFZSA-N 322.448 5.552 30 10 DKEE CCCCCCCOc1ccc(CNc2ccc(C)cc2)cc1 100026101 ARDFPPSHURSMFS-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE CCCCCCCOc1ccc(CN[C@@H]2CCC[C@H](C)C2)cc1 100131394 IUHRFQSCOITEIH-AZUAARDMSA-N 317.517 5.704 30 10 DKEE N#C[C@@H](Sc1cccc(Br)c1)C1CCCCC1 167879854 KBJFIDRNQBLBAU-CQSZACIVSA-N 310.260 5.014 30 10 DKEE N#Cc1c(Br)cccc1Sc1ccc(Cl)cc1 168996479 UDFULWDESKLXEM-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc2ccccc2s1 229275086 GEVKQHDYYRQDMS-KRWDZBQOSA-N 304.499 6.466 30 10 DKEE Cc1ccc(C#N)c(Nc2ccc(Br)c(Cl)c2)c1 232197125 KFMHSDDZGBYUBJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@H](N)c1cc(C(F)(F)F)ccc1Cl 405977629 YIFIFLZFVBIRBF-AWEZNQCLSA-N 307.787 5.719 30 10 DKEE Cc1c(C(=O)/C=C\c2ccccc2)sc2ccc(Cl)cc12 642882810 RWQIPLRKJKIJKD-CLFYSBASSA-N 312.821 5.759 30 10 DKEE Cc1c(Cl)cc(N=C2N[C@@](C)(C(C)C)CS2)cc1Cl 690282723 PHSSKHBDVOSPKO-CQSZACIVSA-N 317.285 5.040 30 10 DKEE C[C@H](CC(C)(C)C#N)Oc1cc(Cl)c(Cl)cc1Cl 695862709 GHKZFNCOCTYHRS-MRVPVSSYSA-N 306.620 5.354 30 10 DKEE Cc1ccc(CO/N=C(/c2ccc(C(C)(C)C)cc2)C2CC2)cc1 821229717 WUAPGTSTEHDOKW-XTQSDGFTSA-N 321.464 5.623 30 10 DKEE C/C(=N\OCc1ccccc1Cl)c1ccc(OC(C)C)cc1 1857939095 RGDPQUPUWLLYCZ-XSFVSMFZSA-N 317.816 5.068 30 10 DKEE CC(C)c1cc(NC(=O)c2ccc(C#N)cc2)cc(C(C)C)c1 1866125137 CKHJZKAHOZRMDQ-UHFFFAOYSA-N 306.409 5.057 30 10 DKEE CCCCCCCC[S@@](=N)(=O)c1ccc(Cl)cc1Cl 1918028612 CIEBGUSOYHEKDB-LJQANCHMSA-N 322.301 5.760 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(Br)sc1C 1996479127 VNIWDGCSSNXEJM-QMTHXVAHSA-N 316.308 5.072 30 10 DKEE CCCC[C@](C)(C#N)Cc1cccc(Br)c1Cl 2001846625 HCICYBGYIXISMH-AWEZNQCLSA-N 314.654 5.365 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(Cc2cccc(Br)c2C)C1 2027193107 DEXOEHMVVLGIHQ-CJNGLKHVSA-N 306.247 5.020 30 10 DKEE CCCCCCCCCN(C)c1cncc(Br)c1 2042864927 OMWGRBYVDQBWJW-UHFFFAOYSA-N 313.283 5.031 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](c1ccccc1C)C1CC1 2070132510 AIVKQRPZTOHCKF-JOCHJYFZSA-N 318.464 5.220 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1cc(Cl)c(Cl)s1 2141918301 DTYVXHVVZCYQMO-CYBMUJFWSA-N 321.269 5.184 30 10 DKEE C=C(C)C[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2164105276 QNKZAIHTRGGTSS-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE N#Cc1ccc(N2CCCC[C@H]2c2cccs2)cc1Cl 2171824389 QAFFCJRJJKSJKL-HNNXBMFYSA-N 302.830 5.005 30 10 DKEE C#CCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2173490051 HKSRVSCGRHZVIW-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205936343 CKJVOROTENQQQL-ZIAGYGMSSA-N 305.512 5.730 30 10 DKEE C=CCCCCCC(=O)c1sc(Cl)cc1Br 2244976936 YNBYGUUDARVKSC-UHFFFAOYSA-N 321.667 5.483 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(Br)c(Cl)c1 2250134593 ZSDBJZFOZRYPMB-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE C=C(C)CCCC[S@@](=N)(=O)c1ccc(Cl)c(Cl)c1 2259177005 TYPGGLXJRLCKGW-GOSISDBHSA-N 306.258 5.145 30 10 DKEE C=CCCCCCCC[C@@H](N)c1csc(Cl)c1OC 2268926332 PVLZUMOROORSML-CYBMUJFWSA-N 301.883 5.327 30 10 DKEE C=CCCCCCCCSC[C@@H](N)C(C)(C)C(F)(F)F 2287189402 MKOATVAVDWPNGV-CYBMUJFWSA-N 311.457 5.162 30 10 DKEE CCC(=NOCc1ccccc1Cl)c1ccc(Cl)cc1 2330251944 BREVNNXWQZHHGB-UHFFFAOYSA-N 308.208 5.324 30 10 DKEE C=CCC(CC=C)OC(=O)C=Cc1cc(Cl)ccc1Cl 2360213937 BLBLQMXSIPOUBB-UHFFFAOYSA-N 311.208 5.071 30 10 DKEE CCCCCCC[C@H](O)Cc1cc(Cl)c(OC)c(Cl)c1 2365667761 BRNLRECXXFNOQQ-ZDUSSCGKSA-N 319.272 5.266 30 10 DKEE CC(/C=C/c1ccccc1)=N/Nc1nc(-c2ccccc2)cs1 8670220 IMFXLYJNUOEQPW-JTHDKOFASA-N 319.433 5.311 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)cc1 36931099 QVKQWYLUZSFNDR-HNNXBMFYSA-N 318.203 5.046 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154028 NNVSWCDLRHRXRQ-JKIFEVAISA-N 321.917 6.177 30 10 DKEE Clc1cccc(/C=N/N(Cc2ccccc2)c2ccccc2)c1 59151330 DYFZXYORAXLTSY-PXLXIMEGSA-N 320.823 5.381 30 10 DKEE O=[N+]([O-])c1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)o1 59508285 ACYYZPVMBBQOFW-QLEYDUCCSA-N 320.308 5.354 30 10 DKEE O=C(/C=C/c1ccc(F)cc1)c1ccc(Cl)c2ccccc12 83193053 QBUJCCUMONJOOP-KPKJPENVSA-N 310.755 5.528 30 10 DKEE N#Cc1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1 88304040 NCFLKPARCLUIGS-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE COc1cccc(/C=C/C(=O)c2ccc(Cl)c3ccccc23)c1 96887605 KAMAVLYNLZAADT-FMIVXFBMSA-N 322.791 5.398 30 10 DKEE C/C(=C/C(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 104727222 NXPRNNYQKUBDLW-LUAWRHEFSA-N 306.192 5.192 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(C(F)(F)F)ccc1C 117739563 UPUCGQQGSUPYCE-CQSZACIVSA-N 301.396 6.175 30 10 DKEE CCCCCCCCCCNc1c(F)cc(F)cc1Cl 124197675 CDMSYYLCRAJRKR-UHFFFAOYSA-N 303.824 6.171 30 10 DKEE CCCCCCC[C@@H](NC)c1cscc1Br 132293708 WPYIRVOYKIVCDT-CYBMUJFWSA-N 304.297 5.132 30 10 DKEE CCCCCCCC(=O)c1cc2cccc(Br)c2o1 135416179 CGLJLQFTSSQRDP-UHFFFAOYSA-N 323.230 5.739 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cccc(C)c1Cl 159122322 HVNGLDJJXOSYMQ-SFHVURJKSA-N 309.925 6.440 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1ccc(Cl)s1 160862787 YAJGYUOAPNCIQL-OAHLLOKOSA-N 315.954 6.192 30 10 DKEE CCCCCCCC[C@H](NCCC)[C@@H]1SCCS[C@H]1C 162271904 PITIRQQUIGICPF-YESZJQIVSA-N 317.608 5.342 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(Cl)ccc1F 163011880 VOOHWYVMQBROHJ-KRWDZBQOSA-N 300.845 6.043 30 10 DKEE Cc1ccc(Nc2cccc(Br)c2C#N)cc1Cl 168447262 KXJHFCFIBJUYTB-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCC(=O)OCC[C@@H](C)CCC=C(C)C 201233779 XQIVXZXBZSEVKC-IBGZPJMESA-N 310.522 6.443 30 10 DKEE N#Cc1cc(Br)ccc1Oc1ccc2ccccc2c1 229179624 GEHUSVJZUJYJIU-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CC1(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)CCCCC1 232829249 QTDSYNTXDDBBMR-LLVKDONJSA-N 310.224 5.140 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 236063368 RCGHBNOSADLHQH-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE CCc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 254608736 UVKHFXOYFMCKAJ-UHFFFAOYSA-N 315.416 5.579 30 10 DKEE Cc1cccc(Nc2cccc(Br)c2C#N)c1Cl 306052974 ULKQAOORWBQGAN-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CN(CCCCCCCCCS)C1CCC(F)(F)CC1 699458236 UWZCQPBDLBHQMA-UHFFFAOYSA-N 307.494 5.157 30 10 DKEE CCCCCCCCCCCC[C@@H](O)C[C@@H]1CCSC1 708786606 MPVHKUZGCBZFHM-ZWKOTPCHSA-N 300.552 5.802 30 10 DKEE C=C1CCC(CN[C@@H]2CCSc3ccc(Cl)cc32)CC1 724447589 XYXXPCTVOSVXCV-MRXNPFEDSA-N 307.890 5.213 30 10 DKEE CCCCCCCOc1cccnc1NC(=O)OCCCCC 1858701885 KWQJYTRKLMHMFK-UHFFFAOYSA-N 322.449 5.170 30 10 DKEE CCCCCCCSc1nc(-c2ccc(C)cc2C)cs1 1860800808 PDISERHJHCMWKY-UHFFFAOYSA-N 319.539 6.489 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2ccc(CC)cc2)c1 1874594165 WKDISGFVXZWPCF-JLHYYAGUSA-N 306.405 5.100 30 10 DKEE O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 1911788689 IWKFCBADEWBWGL-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCCCCCCC)NC 1922059128 DMRBLDVURKPBCD-FQEVSTJZSA-N 303.490 5.098 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1cccc(C#N)c1F)C(C)(C)C 1946838531 AFIBLBCURHTRTQ-INIZCTEOSA-N 324.443 5.134 30 10 DKEE CCCC[C@](C)(C#N)Cc1cc(Cl)cc(Br)c1 2001847946 SAHVPAUZKXITPO-AWEZNQCLSA-N 314.654 5.365 30 10 DKEE CCC#CC[C@@H](NCCC)c1ccccc1OCc1ccccc1 2005837879 JGQIFRPLMBGORI-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(Cl)c(Br)c1 2007986282 HLNZUPADFZCALE-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE C#CC[C@@H](CNc1ccc(OCc2ccccc2)cc1C)C1CC1 2020095241 XJJYWMFCONGICR-FQEVSTJZSA-N 319.448 5.035 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(Cl)sc1C 2098162529 QOHFXGJGFIYITN-CQSZACIVSA-N 302.915 5.355 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cccc(F)c2Br)C1 2112240853 XJBCIIOOCRRAMV-INIZCTEOSA-N 324.237 5.241 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2116656178 OIOYRFFRCBHRTE-OCCSQVGLSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1ncc(Cl)s1 2142440090 FKEZXTGETMPRMH-ZDUSSCGKSA-N 301.883 5.527 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](NCC)c1csc(Cl)c1 2154437218 TZIQLHGFNISNKW-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ncc(SC)s1 2164128069 ISGBPCCGIMMYLU-CQSZACIVSA-N 314.564 5.656 30 10 DKEE C=C([C@@H](NCCC)[C@@H]1CCCCC(F)(F)C1)[Si](C)(C)C 2168912423 CZJANXHNUXDPMN-HUUCEWRRSA-N 303.513 5.004 30 10 DKEE SCCCCCCCCCN1CCC[C@@H]1c1cccs1 2169971331 XKDOAMAWKDHIOC-MRXNPFEDSA-N 311.560 5.546 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)sc2Cl)CCc2ccccc2C1 2195414405 QITMBLXLMYTPEP-INIZCTEOSA-N 322.260 5.296 30 10 DKEE N#C[C@H](CNc1cc(F)c(Cl)cc1Cl)C1CCCCC1 2203784335 AFRXXZGUKGHOBY-LLVKDONJSA-N 315.219 5.264 30 10 DKEE CCCCCC#CC[C@@H](NCCC)c1cc(C)c(Cl)s1 2203811424 WKRFDAREMQXJSL-OAHLLOKOSA-N 311.922 5.724 30 10 DKEE C=C1CCC(C[C@H](Cc2cc(Cl)cc(Cl)c2)NC)CC1 2203954745 SDTGUOYAKADERF-QGZVFWFLSA-N 312.284 5.260 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1cc2sccc2s1 2205544131 RAZUGLCDGHUSQR-LRDDRELGSA-N 311.516 5.074 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)[C@H](CO)C(C)C 2211144178 AFNDEYHESVBGOO-OAQYLSRUSA-N 317.517 5.032 30 10 DKEE C=CCCCCCCCOc1ccc(F)c(Br)c1 2220089517 QSDLPMHWCZBYDJ-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE CCCCCCCC[C@@H](C)NCCc1ccc(Cl)s1 2231922951 HUCYDVQNJRHFND-CQSZACIVSA-N 301.927 5.673 30 10 DKEE Cc1ccc(C#CC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 2239656997 DELILZUWCIQFTF-UHFFFAOYSA-N 323.606 5.190 30 10 DKEE C=CCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243557377 FJVYISCQNRGYSZ-QGZVFWFLSA-N 319.445 5.040 30 10 DKEE Cc1cccc(NC(=O)OC(C)(C)C)c1C(=O)C=C1CCCC1 2243557602 HZJDHGCZHCMPQH-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE C=CCCCSC[C@H](NCCC)c1ccc(Cl)s1 2258979868 ADJCSMXKUOAQDG-LBPRGKRZSA-N 303.924 5.142 30 10 DKEE CC1CC(CS)(CSc2cccc(C(F)(F)F)c2)C1 2265303536 CZNBXHINEPOXSF-UHFFFAOYSA-N 306.418 5.144 30 10 DKEE C=CCCCCCCCSc1cc(F)cc(F)c1CO 2287189054 IWUKPRYGIIWQGH-UHFFFAOYSA-N 300.414 5.076 30 10 DKEE CCCCCCC[C@H](NC)c1sc(C(F)(F)F)cc1C 2295002528 XVXGMTPTULQUBS-LBPRGKRZSA-N 307.425 5.696 30 10 DKEE CCCCCCCCC[C@H](C)N[C@H](CSC)C(C)(C)C 2295682067 MIIBHDNNFOBABH-DLBZAZTESA-N 301.584 5.883 30 10 DKEE C=C(C)CC[C@H](NCCC)c1csc(C)c1Br 2303636240 JACXMYSREXFUTP-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC(C)(C#N)CCCCOCc1cccc(Cl)c1Cl 2339287655 CKGTXXRABRWCKS-UHFFFAOYSA-N 300.229 5.230 30 10 DKEE C=CCCCSc1ccc(C)c(Cl)c1CN[C@H](C)CC 2360723194 VSAJTYYBKCAFPN-CQSZACIVSA-N 311.922 5.595 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2377277122 BKYOHTGLNUBOCY-BZNIZROVSA-N 314.231 5.785 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 14460239 NEAKMVZDHXILFH-BQFCYCMXSA-N 306.796 5.038 30 10 DKEE CCCC/C(C)=N/Nc1nc(-c2ccc(Cl)cc2)cs1 20478269 AUODCTKPTLZOFA-WOJGMQOQSA-N 307.850 5.442 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)cc2F)C1 37156723 RFDPTEORPZOUPI-HWWQOWPSSA-N 309.425 5.411 30 10 DKEE N#C[C@H](C(=O)C1CCCCCCC1)c1ccc(Cl)c(Cl)c1 86580125 GZBZPAQFYAXFKW-AWEZNQCLSA-N 324.251 5.530 30 10 DKEE CCCN[C@H](C)c1cccc(SCCCC(C)(C)C#N)c1 87607230 XKMUEHFJAPRDLI-OAHLLOKOSA-N 304.503 5.169 30 10 DKEE O=[N+]([O-])c1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 100032369 XBQGCRITMKGJTI-XSFVSMFZSA-N 318.332 5.138 30 10 DKEE CCCCCCCCOc1ccccc1[C@@H](C)NCCCC 100047609 LGPNGCLKFQYGPS-GOSISDBHSA-N 305.506 5.877 30 10 DKEE CC(C)C1=CC[C@@H](C)/C(=C\c2ccc(Br)cc2)C1=O 100479748 AHIWRPYADLRREL-HMHNVIDESA-N 319.242 5.024 30 10 DKEE CC1(C)[C@H]2CC[C@@]1(C)/C(=N/C(=O)c1ccc(Cl)cc1Cl)C2 100845661 ULBSAGUHLPYFKF-GANKWPMTSA-N 324.251 5.421 30 10 DKEE C[C@@H]1O[C@H]1CCc1c(Cl)c(Cl)cc(Cl)c1Cl 107502818 QASFWKVMWKBXHD-CDUCUWFYSA-N 300.012 5.020 30 10 DKEE CCCCCCC[C@H](NCC)c1cc2cccc(Cl)c2o1 130791249 NKNSMNGQJQJXQJ-INIZCTEOSA-N 307.865 6.097 30 10 DKEE CCCCCCCCCC[C@H](O)[C@H]1CSc2ccccc21 135560162 KJVINHFIINUENI-ROUUACIJSA-N 306.515 5.768 30 10 DKEE CC(C)Cc1c(C#N)oc2c(C(C)C)cc(Br)cc12 136481681 BHDUXXXFCIJRJD-UHFFFAOYSA-N 320.230 5.389 30 10 DKEE CCCc1ccccc1Nc1ccc(C#N)c(Br)c1 228181802 BYBHMTNKNDQFCM-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE CCCCCCCCCCC(=NO)C(=NO)c1ccc(C)cc1 263626127 NLHPJYZAWZXOGC-UHFFFAOYSA-N 318.461 5.534 30 10 DKEE C[C@H](c1ccc(Br)cc1)C1(C=O)CCCCCCC1 316817808 FULUGYIIRLYOAK-CQSZACIVSA-N 323.274 5.482 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(Cl)c(Cl)c2)cc1F 404248387 HMGODESTJFRYSI-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCOC(=O)Nc1scc(C(C)(C)C)c1C#N 586483822 BIJGYQGJCDGLEP-UHFFFAOYSA-N 308.447 5.046 30 10 DKEE C#CCCCCC[C@H](NCCC)c1ccccc1Br 686680994 DADMIQUBXGALMK-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CC(=O)/C=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 1082519267 OJYXKXMMERIOCT-WAYWQWQTSA-N 321.203 5.175 30 10 DKEE CCCCCCCCNC(=O)CCCSc1ccccc1 1859779879 HEYFLJSDHAWQLR-UHFFFAOYSA-N 307.503 5.036 30 10 DKEE CCCCCCCCCOc1ccc(NC(=O)CC(C)C)cc1 1860139317 LGYMVXAELSWTBD-UHFFFAOYSA-N 319.489 5.801 30 10 DKEE CC(C)[C@@H](CS)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 1931998068 HACDADWCABADMD-SJLPKXTDSA-N 307.547 5.125 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1c(N)ccc(Cl)c1Cl 1955425495 UJVCIHCVQAOIIJ-UHFFFAOYSA-N 321.251 5.158 30 10 DKEE C=CCC[C@@H](C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 1979641035 FODGKZYGSQQXNS-MSOLQXFVSA-N 309.453 5.271 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cccc(C)c1Br 2040531949 BENLAOBOAQVJCY-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE C=CCC[C@@H](C)C[C@@H](NCC)c1ccccc1Br 2050510475 KITSAJOKBJDZAU-CZUORRHYSA-N 310.279 5.092 30 10 DKEE CCOc1ccc(C(F)(F)F)c(C(F)F)c1C(F)(F)F 2060226126 SZXAXFOIIRNJAV-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(Br)c(C)c1 2071980098 SBLFRSFLHKJRMH-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCNc1ccc(Br)c(OC)c1 2085850764 ZAJGNIXQAJXHDF-UHFFFAOYSA-N 312.251 5.006 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(Br)c(C)c1 2123089436 SHCVDTQMBKNAIQ-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=CCCCCCCCCNc1c(Cl)cccc1Cl 2142444980 ACHZAVHESXTHLY-UHFFFAOYSA-N 300.273 6.322 30 10 DKEE C=C[C@H](C)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2173289858 HHLBJNSNIPNMAM-GUYCJALGSA-N 314.300 5.506 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](N)c1ccc(Cl)cc1Cl 2207459558 WOQWLCZUBIIBHA-CVEARBPZSA-N 318.288 5.105 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H](C)CCOCc1ccccc1 2212664570 QCZGSQAOZIHCAM-PMACEKPBSA-N 319.533 5.711 30 10 DKEE CCCCCCCC[C@H](C)N[C@H](C)CCOCc1ccccc1 2212664572 QCZGSQAOZIHCAM-VQTJNVASSA-N 319.533 5.711 30 10 DKEE CCCCCCCCCCOCCCC(C)(C)C(N)=S 2239499514 MUZCLHFYEBWZSP-UHFFFAOYSA-N 301.540 5.236 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281542264 ZYILWDRKKVLPPE-HNNXBMFYSA-N 316.272 5.399 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1c(F)ccc(F)c1Cl 2287372392 LUZMCBYHGCIWFK-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE C[C@@H](CC(C)(C)C#N)SCc1ccc(Br)cc1 2302463380 OPQLFVPKBRVEPX-NSHDSACASA-N 312.276 5.011 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)CC(F)(F)F 2360199305 WCNGDNYPDKUEKN-FQEVSTJZSA-N 315.445 5.516 30 10 DKEE Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cccc2ccccc12 33391041 WHCUCWRUVIPMHN-YPKPFQOOSA-N 311.384 5.526 30 10 DKEE Clc1cccc(/N=C2\NC[C@H](c3ccccc3)S2)c1Cl 35295133 SHGVJQBZWQCPNE-CYBMUJFWSA-N 323.248 5.059 30 10 DKEE Cc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)cc1C 52902284 CEYFQWNTWLYUIT-UHFFFAOYSA-N 310.447 5.214 30 10 DKEE CCCCCCCCCNc1cc(OC)c(Cl)cc1OC 59088724 HFAHMUZQYQTULX-UHFFFAOYSA-N 313.869 5.520 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)c1ccsc1 109722182 KAVSERFVIBRSKT-LJQANCHMSA-N 309.563 6.710 30 10 DKEE CCCCCCCCC[C@@H](CNC)Cc1ccccc1Cl 110192436 RSYDISCCCQXHGQ-QGZVFWFLSA-N 309.925 5.859 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1 164496654 YIIZHPBSBMLMHK-NTEUORMPSA-N 302.373 5.135 30 10 DKEE C=CCCCCCNc1cc(Cl)ccc1Br 236055529 FVGNKOXWIGIBAC-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE CCCc1ccccc1Oc1ccc(C#N)c(Br)c1 699506888 OZDGUPUTHZANER-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1csc(C(F)(F)F)c1 703306414 BPPBNHKMIKTHGY-NSHDSACASA-N 316.735 5.097 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712603634 BAHGQPPLTJIPNN-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCC[C@H](CC)CC(=O)Nc1sc2c(c1C#N)CCCC2 1866106623 AVZAELAVNXJPSO-ZDUSSCGKSA-N 318.486 5.044 30 10 DKEE CCCCCCCCNC(=O)c1cccc(CSC(C)C)c1 1872887857 QJQHJYNBCUYDTI-UHFFFAOYSA-N 321.530 5.419 30 10 DKEE CC(C)=C(CSC[C@@H]1CC[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 1901712256 XFJPNBKFZDQTER-LSDHHAIUSA-N 324.339 5.124 30 10 DKEE CCCCCCCC[C@@]1(O)C[C@@H](CC)N(Cc2ccccc2)C1 1919667574 XZQJWBNKGIKPEF-NHCUHLMSSA-N 317.517 5.153 30 10 DKEE CCCCCCCC[C@]1(O)CCCCN(Cc2ccccc2)C1 1980546688 SKNLCSQPNDJILS-NRFANRHFSA-N 317.517 5.154 30 10 DKEE CC1(C)CC=C(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 2010762039 FHMUOABVGCZVDX-UHFFFAOYSA-N 320.432 5.585 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2csc(Br)c2)CC1 2010784653 OXDGDGJZFJWNCY-JTQLQIEISA-N 313.260 5.076 30 10 DKEE CC(C=Nc1ccc(OC(F)(F)F)cc1)=Cc1ccccc1 2040465807 KQXRUPBQVGIXBR-UHFFFAOYSA-N 305.299 5.391 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H](NC)c1sccc1Cl 2148559393 JWOMIXDHYXDERL-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE N#CC1(Cc2cc(C(F)(F)F)cs2)CCCCCCC1 2161274786 OZHTUKOCUDWHCW-UHFFFAOYSA-N 301.377 5.564 30 10 DKEE N#Cc1cc(Cl)ccc1NC1CC[Si]2(CCCC2)CC1 2161347655 NYWKHYBXYVNXIJ-UHFFFAOYSA-N 304.897 5.029 30 10 DKEE C=C([C@H](N)c1ccc(-c2ccc(Cl)cc2)o1)[Si](C)(C)C 2163997033 GEUDUIRYVQWQBD-INIZCTEOSA-N 305.881 5.033 30 10 DKEE Cc1cc(Cl)cc(Cl)c1Nc1ccc(C#N)c(F)c1F 2201082587 RAAWBKANHQGHDT-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C=CCCCCCCCNc1cncc(Br)c1C 2220079036 BIWZNFIFNZWNQL-UHFFFAOYSA-N 311.267 5.091 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2236298331 CYACYLGKPGSCSQ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCCC[C@H](O)[C@H]1CCCN(Cc2ccccc2)C1 2244000896 LEEZRPWVFCBAHY-SFTDATJTSA-N 317.517 5.010 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2266800437 QZFXHZVCXLEAFD-AWEZNQCLSA-N 302.245 5.009 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2270993770 ZGZHQMRTIBBIGR-INIZCTEOSA-N 300.273 5.699 30 10 DKEE CCCCCCC[C@](C)(OCCCN)c1sccc1Cl 2292789005 BPSDIUSAUJKCJW-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=CCCCCCCC[S@@](=N)(=O)C[C@H](CC)CCCC 2295699461 KIGKSFLOZNATBV-YLJYHZDGSA-N 301.540 5.776 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cc(C)c(Br)c(C)c1 2321126382 ADLXXJPZLSUIPA-CVEARBPZSA-N 310.279 5.058 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1cccc(Cl)c1 2330497674 ZHPXESMOTJDJOE-UHFFFAOYSA-N 315.844 5.578 30 10 DKEE CCN[C@@H](C#Cc1cccs1)c1ccc(Cl)c(Cl)c1C 2364400322 VOQDVXLJNVDHSQ-HNNXBMFYSA-N 324.276 5.066 30 10 DKEE c1ccc2c(c1)/C(=N\C1CCCCC1)c1cc3ccccc3nc1-2 12360325 QQWAGDQMBQSEFG-XTQSDGFTSA-N 312.416 5.385 30 10 DKEE Cc1cc(C)c([C@H](C#N)Cc2ccc(C(C)(C)C)cc2)c(C)c1 57744875 QHWCLQULEUUYCD-IBGZPJMESA-N 305.465 5.759 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(OCC(C)C)cc1 100048488 LNJRXXGFEFFHEU-OAQYLSRUSA-N 319.533 6.123 30 10 DKEE CCCCCCCCCCOc1cncc(Br)c1 112353795 IGNHSEFOATUESZ-UHFFFAOYSA-N 314.267 5.364 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Br)cs1 112721438 QGDHIRSBZXEQTA-ZDUSSCGKSA-N 318.324 5.522 30 10 DKEE CCCCCCCCCCSc1csc(C(=O)O)c1 118305784 WYJUCULCUTVCRM-UHFFFAOYSA-N 300.489 5.679 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1CSCCS1 122622265 KSTPRMHXDYLZNH-DLBZAZTESA-N 318.592 5.507 30 10 DKEE CCCCCCCC[C@H](NCC)c1c(Cl)cnn1CCC 127504615 VVDXUULAUJWMNL-INIZCTEOSA-N 313.917 5.348 30 10 DKEE CCCCCCCCCCNc1ccc(Br)cn1 148497335 YGZBANOXNKUVFR-UHFFFAOYSA-N 313.283 5.397 30 10 DKEE CCCCCCCCCC(=O)Nc1cc(Cl)c(N)cc1C 229127385 FGUNPWWFZOLDAJ-UHFFFAOYSA-N 310.869 5.310 30 10 DKEE N#Cc1ccc(NCc2c(Cl)cccc2Cl)c(Cl)c1 236037030 WWYRAQBGTZOITR-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(Cl)cc1Br 236315855 XCNLRUDYLYFTII-CQSZACIVSA-N 316.670 5.239 30 10 DKEE CCCCCCCSc1nc(-c2ccc(F)cc2)cs1 1860798862 PUTBJOGQOVWLTR-UHFFFAOYSA-N 309.475 6.012 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 1874613463 VQLSHYRDGXAYHA-LFYBBSHMSA-N 312.796 5.191 30 10 DKEE CCCC[C@@](C)(C=O)Cc1sc(Cl)cc1Br 1903670028 TZLNHTFWURCOPJ-GFCCVEGCSA-N 323.683 5.102 30 10 DKEE C=C([C@@H](NCC)c1ccc(Cl)cc1Cl)[Si](C)(C)C 1922867031 CAOHTTTUWDVHMD-CQSZACIVSA-N 302.321 5.078 30 10 DKEE CC#CCCCC[C@H](NC)c1ccc(OCc2ccccc2)cc1 2019497957 KVJBBVYACDYSRW-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE CCCCCCC[C@@H](NCC)c1scc(Cl)c1Cl 2035090348 UOTRGXWIRDOGHB-GFCCVEGCSA-N 308.318 6.066 30 10 DKEE CCOc1cc(C(F)F)cc(C(F)(F)F)c1C(F)(F)F 2060220591 YZKYXKZIXQAIDS-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE CC(C)(C)C#CC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2075713972 AVVZYIRNFOLAQF-LLVKDONJSA-N 305.632 5.120 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Cl)c(Cl)cc1Cl 2081458421 XFCKLFFRYBAWLC-UHFFFAOYSA-N 303.616 5.720 30 10 DKEE CC1(C)CC[C@@H]([C@@H](C#N)c2ccc(Br)cc2F)C1 2085289605 CWSMPOAEJJJHJD-ZWNOBZJWSA-N 310.210 5.022 30 10 DKEE C[C@@H](Nc1ccc(Br)c(C#N)c1)C1(C)CCCCC1 2101391700 VZABPIIHIXHADF-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE C=CCCC[C@@H](C)Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2103488793 INGFWSIYVRKZDR-SECBINFHSA-N 303.189 5.058 30 10 DKEE C=CCCCCCC[S@@](=N)(=O)c1ccc(Cl)c(Cl)c1 2141923295 MCABXJPYIRBJCK-LJQANCHMSA-N 320.285 5.536 30 10 DKEE C=C1CC(CNC(C)(C)C)(Cc2cccc(Cl)c2Cl)C1 2159594367 DPEOYJKOQIWHOM-UHFFFAOYSA-N 312.284 5.260 30 10 DKEE CCC1CCC(C#N)(Cc2cc(C(F)(F)F)cs2)CC1 2161275377 VOVIADGWCKWMCB-UHFFFAOYSA-N 301.377 5.420 30 10 DKEE CCCC[C@](C#N)(CC)[C@](C)(O)c1cccc(Cl)c1Cl 2164479677 JYFRYSAZAAAONH-CVEARBPZSA-N 314.256 5.311 30 10 DKEE CC#CCCC[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2194057961 CEMNLFUACUJVGT-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE CCCCCCCCN(C)[C@H]1CCC[C@@H](P(C)(C)=O)C1 2195489427 VKGAIFIQDQGVFE-DLBZAZTESA-N 301.455 5.213 30 10 DKEE CCCCCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2197922064 STHSKMQEGQSDFW-KRWDZBQOSA-N 316.316 5.875 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1cc(Cl)c(F)c(Cl)c1F 2200734955 YMNPYRLECVXPTD-PSASIEDQSA-N 319.182 5.156 30 10 DKEE C=CCCCCCCCC(=O)c1ncc(Br)s1 2214624998 YDNDLZDJEDFDEV-UHFFFAOYSA-N 316.264 5.005 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccccc1Br 2223847654 HCENZZVYCGPSGW-CQSZACIVSA-N 312.295 6.000 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(F)c(Cl)c1F 2235534124 FGLISIOXZMYPCI-AWEZNQCLSA-N 301.808 5.535 30 10 DKEE C=C[C@H](CCCCC)OC[C@H](NCC)c1ccc(Cl)s1 2239491090 XMTOMZAUENVHLD-KGLIPLIRSA-N 315.910 5.204 30 10 DKEE C=C(C)CCCCc1ccc(Br)c(Cl)c1F 2244630042 MPSCRDPYDATELI-UHFFFAOYSA-N 305.618 5.531 30 10 DKEE CC(C)(C)C#CC=CCc1cccc(Br)c1Cl 2248467926 LXWBHASNWOJRQN-UHFFFAOYSA-N 311.650 5.251 30 10 DKEE C=CCCCSc1ccc(F)c(Cl)c1CN[C@H](C)CC 2287197981 HZJANLGNSJZQKM-GFCCVEGCSA-N 315.885 5.426 30 10 DKEE C=CCCCCCCC[C@H](O)c1nc(C(C)(F)F)cs1 2296067050 JANCKCBHGJARTP-LBPRGKRZSA-N 303.418 5.205 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1ccc(OCc2ccccc2)cc1 2301068962 QMMRJELZTMNJLG-QFIPXVFZSA-N 321.464 5.295 30 10 DKEE CC(C)(C)C1(C)CC(C#N)(c2ccccc2Br)C1 2327169837 BHPCTYIDPXMEPD-UHFFFAOYSA-N 306.247 5.057 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Br)cc1CC 2344378485 GVUNHPGWPLHEHF-CXAGYDPISA-N 324.306 5.264 30 10 DKEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1CNC(C)(C)C 2360730074 DTFZLLRIGABNPT-CYBMUJFWSA-N 311.922 5.593 30 10 DKEE CCCCCCCC[C@H](NN)c1ccc(Cl)c(Cl)c1C 2364438888 UGUUHBXADNOFPB-HNNXBMFYSA-N 317.304 5.557 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc3oc4ccccc4c3c2)cc1 33246282 KTBZWILIGSSVJV-WQLSENKSSA-N 312.368 5.791 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 50039238 GXVZCZWIHYKUFI-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE C=C(C)COc1ccc2ccccc2c1CN[C@H]1CCC[C@@H](C)C1 66117374 XOSSRBQEIARKSK-MJGOQNOKSA-N 323.480 5.463 30 10 DKEE CCc1nc(-c2ccc(Cl)c(Cl)c2)sc1CS 82424616 XIRYXCKBMLFDOI-UHFFFAOYSA-N 304.267 5.109 30 10 DKEE CCOc1cc(C)c(C(=O)/C=C/c2ccccc2)cc1C(C)C 83193357 JHACVDLLGNYUSQ-VAWYXSNFSA-N 308.421 5.413 30 10 DKEE CC(=O)/C=C(\C)Nc1cc2cc(-c3ccccc3)[nH]c2cc1C 102781387 ZJCXYMPAZQIBED-GXDHUFHOSA-N 304.393 5.048 30 10 DKEE CCCCCCCCCCCC(=O)N(CC(C)C)CC(C)C 105963184 USRWQXXNQITGEG-UHFFFAOYSA-N 311.554 6.048 30 10 DKEE CCCCCC(CCCCC)Nc1cc(C#N)ccc1Cl 127709154 MYAAFISBOMDPLF-UHFFFAOYSA-N 306.881 6.153 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ccc(Cl)cn1 129583083 DTSMFTWQYUVXHN-QGZVFWFLSA-N 310.913 6.046 30 10 DKEE CSc1cccc(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C#N 136699647 MHBYRWROCNPFEV-CKEIUWERSA-N 303.471 5.120 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Br)cc1C 168331442 YCXRXFFILBYBCW-INIZCTEOSA-N 313.279 5.542 30 10 DKEE O=C(/C=C\c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 210602673 CLZINPYYQFUCKS-DAXSKMNVSA-N 311.595 5.543 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccccc1OCc1ccccc1 382045803 KOCXLASEGRTDLH-HXUWFJFHSA-N 309.453 5.273 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(C(F)(F)F)s1 395054843 PCQOBQKIMJEPJP-LBPRGKRZSA-N 307.425 5.778 30 10 DKEE C=CCCC[C@H](C)NCc1ccc(SC(F)(F)F)cc1 398082240 RWPNPYIFRZSYDW-LBPRGKRZSA-N 303.393 5.133 30 10 DKEE CC[C@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698925407 YHSYIPRQTPJEQY-KXBFYZLASA-N 316.445 5.065 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccc(Br)c(F)c2)CC1 721910394 JQTXGBGILZSXEL-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE C=CCC[C@H](C)Oc1ccc2cc(Br)ccc2c1 2040520198 XJDAJBVGYBTEIV-LBPRGKRZSA-N 305.215 5.336 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(C)cc(Br)c1 2070442688 GUOXYWZAJHUQAX-INIZCTEOSA-N 313.279 5.326 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cccc(Br)c1 2085848625 BZRMEDPPCLFGLK-MRXNPFEDSA-N 311.263 5.399 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc(Cl)sc1Cl 2091046534 FTAXMXDFTPJOHT-ZDUSSCGKSA-N 323.285 5.408 30 10 DKEE C#CC(C)(C)C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2111311925 DVARPFAGUIACLB-LBPRGKRZSA-N 318.675 5.347 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2116657671 HLEPMJWJAPLTRW-IUODEOHRSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H](O)c1ccc(Cl)s1 2148582290 KJZJJIUHAQBWNU-CJNGLKHVSA-N 317.926 5.164 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2158320224 JVYFKAYZFOGJMA-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE CC1(C)CCC[C@@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 2168520295 YORVPRMDNDUJHB-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CCCCSC 2172975709 ZHKNNFAMRTWDFG-GOSISDBHSA-N 302.568 6.192 30 10 DKEE N#Cc1cc(F)c(Oc2ccc(Cl)c(F)c2F)cc1Cl 2177388976 PDMYHJLNLCFLSX-UHFFFAOYSA-N 318.081 5.075 30 10 DKEE C=CC[C@](C)(NCc1ccc(C(C)(C)C)s1)C(F)(F)F 2182192747 RQRRYSAULJNFHR-AWEZNQCLSA-N 305.409 5.032 30 10 DKEE CCCCCCCCCN(C)[C@H]1CC[C@@H](P(C)(C)=O)C1 2195536983 JNOGNGDPVPPFKE-DLBZAZTESA-N 301.455 5.213 30 10 DKEE O=C[C@]1(Cc2cc(Cl)cc(Cl)c2)CCCCC12CCC2 2197966581 NLEFHFHKHLJZGY-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE C=CCCCCCCCCNc1ccc(F)c(Cl)c1F 2207452008 ZNQVMOIZXLPHRE-UHFFFAOYSA-N 301.808 5.947 30 10 DKEE C=CCCCCCCCC(=O)c1ncc(C(F)(F)F)s1 2235531860 DUQAJSSKBWUICZ-UHFFFAOYSA-N 305.365 5.261 30 10 DKEE CCCCCCCCCCCCO[C@H](C)CCC(N)=S 2239546741 AJHFJSMNHBVRGT-MRXNPFEDSA-N 301.540 5.379 30 10 DKEE C=CCCCCCC[C@H](OCC(=O)O)c1csc(Cl)c1 2291275872 BJPHQCYZUYZPDI-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE C=CC[C@@H](C)Oc1c(Cl)cc(CNCC(C)C)cc1Cl 2296257784 NKBJBBQYIWQTBT-GFCCVEGCSA-N 316.272 5.082 30 10 DKEE CCCCCCCc1ccc(C(=O)C=Cc2ccccc2)cc1 2297630565 IYQXHSFSCRDACY-UHFFFAOYSA-N 306.449 6.096 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1NCc1ccc(OCc2ccccc2)cc1 2300153492 RXQGARSKANOYBG-IRLDBZIGSA-N 321.464 5.100 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1sc(C)c(Br)c1C 2304122289 JOYMSPNZDGTVEB-ZIAGYGMSSA-N 317.292 5.153 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(Br)cc1 2321102254 PLYRYPYMNYGIIR-JKSUJKDBSA-N 310.279 5.092 30 10 DKEE Cc1cccc(C=NNc2nc(-c3ccc(C)c(C)c3)cs2)c1 2324080724 VCDUDRAUSIGVPF-UHFFFAOYSA-N 321.449 5.181 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1C 2339021843 GEHJSZXKNAJFCT-HNNXBMFYSA-N 302.289 6.052 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349841750 UQUKAHCDKURHPI-HNNXBMFYSA-N 304.236 5.530 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](CC)c1ccc(Cl)cc1Cl 2362234201 FVVVIGJAFLFBAL-CSMYWGQOSA-N 312.284 5.779 30 10 DKEE CCCCCCCC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2366014884 MSHQTKIPVLXTOU-INIZCTEOSA-N 317.256 5.265 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)c(C(F)F)s1 2371314763 CWOXRTXGPMEXIV-UHFFFAOYSA-N 322.848 6.663 30 10 DKEE O=C(/C=C\c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 33765498 MYXIXLDIEIKQAU-PFONDFGASA-N 318.803 5.903 30 10 DKEE CCCCc1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1 59303508 VRSLQLFDKIUHPA-PXLXIMEGSA-N 304.437 5.580 30 10 DKEE CCCCCCCCCCCCCCCC/C=C/C(=O)OC 60169882 AYVPTAOSEQFSHG-VHEBQXMUSA-N 310.522 6.587 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccccc2)cc1C(C)(C)C 83192525 MPPHJHMPZXBOAO-ACCUITESSA-N 308.421 5.279 30 10 DKEE CCCCCCCCOCc1nc(NCCC)ccc1Cl 110100152 CCEJZTJMUBJQJV-UHFFFAOYSA-N 312.885 5.434 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Br)s1 114419494 BUYJZAKJBUALKF-LBPRGKRZSA-N 319.308 5.685 30 10 DKEE CCCCCCCCCC(=O)c1csc(Br)c1 135407775 WZFCFMLZLUGVMB-UHFFFAOYSA-N 317.292 5.834 30 10 DKEE CCCCCCCCCC[C@@H](CC1CCSCC1)NCC 143474828 MDCLTQXOOPIBQL-IBGZPJMESA-N 313.595 6.029 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(C)c(F)cc1Cl 156384135 GGCIBFPOIMTSTC-GOSISDBHSA-N 313.888 6.189 30 10 DKEE CCCCCCCCCOc1cc(N)ccc1Br 230796512 FFDZJGWODGKFTM-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE CCCCCCCC[C@H]1C(=O)Nc2c(Br)cccc21 232926509 RROJVCYWQDLPQE-CYBMUJFWSA-N 324.262 5.235 30 10 DKEE C[C@@H](Nc1ccc(F)cc1C#N)c1cc(Cl)sc1Cl 235242583 XPWCENRMQVBZDX-SSDOTTSWSA-N 315.200 5.239 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@H]2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 382674340 JXYDDHPAQLXUKH-VVLHAWIVSA-N 318.310 5.417 30 10 DKEE C[C@H](C1CC1)N(Cc1ccccc1)CC1(CS)CCCCC1 385870784 MRPBQENRDPKPOS-QGZVFWFLSA-N 317.542 5.167 30 10 DKEE CCC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CC1 698879430 QQZABZAHIRETQH-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CCCCCCCCCC(=O)c1snc(OC)c1Cl 708236718 VNWZMEZZGMVITE-UHFFFAOYSA-N 303.855 5.129 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(Cl)sc1Cl 709386661 RLMSEXOERGNGKT-LOWVWBTDSA-N 318.313 5.840 30 10 DKEE C=C1CCC(C[C@H](NCC)c2ccccc2Br)CC1 724550257 UVUCOPKREOYKFT-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1C 1865985000 ULJJXSDQXWAFJY-UHFFFAOYSA-N 323.908 6.508 30 10 DKEE CCCCCOc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O 1871399430 KQEZZVABJMBMCG-MOSHPQCFSA-N 322.404 5.180 30 10 DKEE N#Cc1cnc(Sc2cc(Cl)ccc2Cl)c(Cl)c1 1917225523 GEFDIOITBCBPMX-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE CCCCCCCC(=O)C1(C)CCN(Cc2ccccc2)CC1 1939419590 HRSXSSMUBJJPDO-UHFFFAOYSA-N 315.501 5.218 30 10 DKEE CCCCCCC[C@@H](N)c1c(Br)sc(C)c1C 1951103769 VNCYOHQQSIZSTH-GFCCVEGCSA-N 318.324 5.488 30 10 DKEE CC[C@H](C(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1988765848 XLQUMLFYXVXMOM-IAGOWNOFSA-N 322.493 5.131 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cccc(Cl)c1Br 2011364289 OEFCDQGNLAPNFF-GFCCVEGCSA-N 320.633 5.017 30 10 DKEE CC[C@](C#N)(Cc1cccc(Cl)c1Br)C(C)C 2012422731 YWSYGQNPTMLISC-CQSZACIVSA-N 314.654 5.221 30 10 DKEE C=C([C@@H](NCCC)c1c(Cl)cccc1Cl)C(C)(C)C 2096632868 OUYWAJKQUASGAX-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1cc(Cl)cc(Cl)c1 2108213830 PKPQCBJLACGHBD-CABCVRRESA-N 300.229 5.137 30 10 DKEE C[C@H]1C[C@@](C#N)(Nc2ccccc2Cl)c2ccsc2S1 2152750593 SSLGNJDEAKJYSO-BONVTDFDSA-N 320.870 5.117 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)[C@@H](C)C(C)(C)O 2211146726 QVMKEBOBINGCNT-IBGZPJMESA-N 317.517 5.175 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H](SC)C1CC1 2236677910 PISGXHNNEAGIPL-ZWKOTPCHSA-N 300.552 5.800 30 10 DKEE CCCCCCCOC[C@@H](NC)c1cc(Cl)cc(Cl)c1 2237996590 JDANYDJNYZLXEH-MRXNPFEDSA-N 318.288 5.241 30 10 DKEE CCCCCCCCCCCCOC(=O)C1(CS)CC1 2239493467 SQJLXAQDBHCLEP-UHFFFAOYSA-N 300.508 5.161 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@@H](N)c1cc(Cl)sc1C 2240639408 FDIIXNJZNWVTKB-JKSUJKDBSA-N 317.926 5.211 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1c(Cl)cncc1Cl 2287413223 IIVNWYCLJMKFRI-OAHLLOKOSA-N 315.288 5.566 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cscc1C(F)F 2294442491 VHHINNQMUWWHCT-CQSZACIVSA-N 305.434 5.063 30 10 DKEE CCC(=NOCc1cc(Cl)ccc1F)c1ccc(C)cc1C 2330260463 JKEPHHGDTPPNAG-UHFFFAOYSA-N 319.807 5.427 30 10 DKEE Cc1c(Cl)ccc([C@H](C)C2(C#N)CCSCC2)c1Cl 2353184742 CCJCWHFTSIBQNT-NSHDSACASA-N 314.281 5.442 30 10 DKEE Cc1cc(C#N)ccc1OCc1ccc(Cl)c(Cl)c1C 2364001124 GMTSFAXTXLOMAB-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE CC(C)(C)c1ccc(/C=N/Nc2cc(Cl)ccc2Cl)cc1 59165775 TZSYXCPKLLBSRO-RGVLZGJSSA-N 321.251 5.737 30 10 DKEE COc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(F)cc1 83192690 SSUVPLKEBKVTRN-YRNVUSSQSA-N 312.384 5.028 30 10 DKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(OC(C)C)cc2)c1C 83193765 OFHTZNBCVXZXQG-FMIVXFBMSA-N 322.448 5.604 30 10 DKEE CCCCCCCOCc1c(CNC)sc2ccccc12 110170207 NUIBIUZISQTDMR-UHFFFAOYSA-N 305.487 5.108 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C#N)cc1Cl 110262486 PQWKOCIKKJUICZ-UHFFFAOYSA-N 320.219 6.089 30 10 DKEE CCCCCCC[C@H](N)c1cc(F)c(Br)cc1F 112337884 YUEWVEYMWMNFSN-AWEZNQCLSA-N 320.221 5.088 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(F)cc1Cl)NCC 112899277 PFIIYTGTDCJMSC-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CSC(C)(C)C 115644956 CMNVDHKEDINDPY-QGZVFWFLSA-N 302.568 6.190 30 10 DKEE CCCCCCCC[C@@H](N)Cc1ccc(C(F)(F)F)cc1 116308356 XZNYJQSKMQHEAM-MRXNPFEDSA-N 301.396 5.326 30 10 DKEE CCCCCCCCC[C@@H](N)c1csc(Br)c1 139470880 QCUVIUWLFPAHHD-CYBMUJFWSA-N 318.324 5.651 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H]1Cc2ccccc2S1 139532245 KZBGUKDHASMZLV-PKOBYXMFSA-N 305.531 5.432 30 10 DKEE CC(C)Oc1ccc(C#Cc2ccc(-c3ccccc3)s2)cc1 197004903 FLJLTKQUZQVSFR-UHFFFAOYSA-N 318.441 5.602 30 10 DKEE CCCC[C@@H](CCC)Nc1cccc(Br)c1C#N 226032096 OBZITMBCGSMYBG-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE Cc1ccc(Br)cc1Oc1ccc(Cl)cc1C#N 228333403 BIZADUUDYIFBIG-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE Cc1ccc2nc(-c3ccc(N=Cc4ccc[nH]4)cc3)sc2c1 252638090 XZFZACYRRZUGLR-UHFFFAOYSA-N 317.417 5.350 30 10 DKEE Cc1cc(C#N)cc(N[C@H](C)c2cc(Cl)ccc2Cl)c1 308121817 LVUASFLLNMSXBR-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCCn1c(S)nc2ccc(Cl)c(C)c21 383439035 HRHHMNBQYYFBBO-UHFFFAOYSA-N 310.894 5.647 30 10 DKEE Clc1ccc(C=NN(c2ccccc2)c2ccccc2)cc1 1084139559 CTPJUZMODBHJDQ-UHFFFAOYSA-N 306.796 5.512 30 10 DKEE CSC1=CC(=Nc2ccccc2)CC(C)(C)N1c1ccccc1 1088696489 MFBKDZMQVZTSOR-UHFFFAOYSA-N 322.477 5.652 30 10 DKEE CCCCCCCCNC(=O)c1ccc(C(=O)C(C)(C)C)cc1 1866224552 WIUCPSMOGZNCHE-UHFFFAOYSA-N 317.473 5.006 30 10 DKEE CCCCCCCC[C@]1(O)CCCC[C@@H]1OCc1ccccc1 1977471544 LAUWVPQXCLPTOO-SFTDATJTSA-N 318.501 5.628 30 10 DKEE CC[C@](C=O)(CN(Cc1ccccc1)[C@@H](C)C(C)(C)C)C(C)C 1988766028 YPOYUFXXRXNZGX-GHTZIAJQSA-N 317.517 5.175 30 10 DKEE C=CCCCCCCCCC1(O)CC(OCc2ccccc2)C1 1995325031 DYZPNNQXEMJGGY-UHFFFAOYSA-N 316.485 5.404 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(Br)sc1C 1996479126 VNIWDGCSSNXEJM-IINYFYTJSA-N 316.308 5.072 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Br)co1 2003091143 XVGNZIFVXNVGSH-CYBMUJFWSA-N 302.256 5.183 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(Br)s1 2009492806 BBNNKCJPWQXPSK-GFCCVEGCSA-N 316.308 5.298 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccc(CC)cc1 2070122844 ADCNFHCCZAMJQJ-MRXNPFEDSA-N 306.453 5.084 30 10 DKEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)s1 2076093135 UTEGVVKUKLVOSX-PWSUYJOCSA-N 304.286 5.145 30 10 DKEE CC(C)c1ccc([C@@H](C)n2nc(C(C)C)c(C#N)c2Cl)cc1 2079903952 GQBOXTIQUSOJJY-CYBMUJFWSA-N 315.848 5.264 30 10 DKEE C=CCCCCCCC[C@H](O)c1cccc(Br)c1 2085848624 BZRMEDPPCLFGLK-INIZCTEOSA-N 311.263 5.399 30 10 DKEE Cc1c(Br)cccc1CC1(C=O)CCCCCCC1 2087379698 DJPFYZOBCMMJJO-UHFFFAOYSA-N 323.274 5.230 30 10 DKEE C=CCCC[C@H](Cc1cccc(Cl)c1Cl)NCCC 2116485490 CTRLIXHGYBFUTR-CQSZACIVSA-N 300.273 5.260 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ncc(Cl)cc1Cl 2123079393 CSTFICYZPYAHGR-CQSZACIVSA-N 301.261 5.176 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2ccc(Cl)cc2Cl)CC1 2157100172 NUXYVWFMYSFHLE-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE CCCC[C@](C#N)(CC)Cc1csc(-c2ccsc2)n1 2164481167 BPHNTBXKZYZTIX-MRXNPFEDSA-N 304.484 5.524 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc2c(s1)CCSC2 2179676841 BLUSCLSAHQDBIE-OAHLLOKOSA-N 309.544 5.325 30 10 DKEE C=CCCCCCCCCCC(=O)[C@@H]1SCCS[C@H]1C 2207409235 MBLOVOXMTGKFET-DOTOQJQBSA-N 314.560 5.490 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1cc(Cl)cs1 2207430956 ZTPGNIRUYZZJOJ-INIZCTEOSA-N 313.938 6.359 30 10 DKEE C=CCCCC[C@H](NC)c1sc(C)c(Br)c1C 2213747886 FBJYWPUNRGJUAO-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccsc1Br 2214624154 WLJGFSWEYKUQJF-CYBMUJFWSA-N 316.308 5.427 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(CN[C@H](C)CC)cc1C 2217116826 PDDOXQOTOUYDBO-LJQANCHMSA-N 322.496 5.076 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967854 UQWFPYKTYIIGHR-DYVFJYSZSA-N 324.306 5.435 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1c(Cl)cncc1Cl 2271792587 VWSHDDKAASOAMF-AWEZNQCLSA-N 301.261 5.176 30 10 DKEE C=CCCCCCCCSc1cccc(SC)c1C#N 2287091837 YXTBHUUBDWIESN-UHFFFAOYSA-N 305.512 5.899 30 10 DKEE CCOc1ccc(C(=O)C=Cc2cccc3ccccc23)cc1 2297329953 RTHRLGGMMVPZDZ-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE CCCOc1ccc(C=NNc2ccc(C)c(C)c2)cc1Cl 2322922528 NCOIOQZVAYNLIP-UHFFFAOYSA-N 316.832 5.192 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(Br)cc1C 2344370257 ABEQOVZSKBGUGQ-IRXDYDNUSA-N 324.306 5.401 30 10 DKEE C[C@H]1CCCC[C@]1(C#N)Cc1cc(F)c(Cl)cc1Cl 2349797438 PUIIJGRHUSWCPE-ZUZCIYMTSA-N 300.204 5.395 30 10 DKEE C=CCCCCCCCSC[C@](C)(CS)C(C)(C)C 2352095208 GJKYPNAHOQTEHU-KRWDZBQOSA-N 302.593 6.228 30 10 DKEE C=CC[C@H](C)S[C@@H]1CCCCCCC(F)(F)[C@@H]1NCC 2360331557 VCQUMRLFAUMCBG-RRFJBIMHSA-N 305.478 5.020 30 10 DKEE C=CCC(CC=C)Sc1sc(CNC2CC2)c(C)c1C 2360374419 IXSCZZBSZXWTLL-UHFFFAOYSA-N 307.528 5.230 30 10 DKEE C#CC[C@@H](C[C@H](NC)c1ccc(Cl)c(Cl)c1C)C1CC1 2364403875 AKABXAAGYGSAKS-BBRMVZONSA-N 310.268 5.002 30 10 DKEE C=CC[C@@H](C)[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2370492299 SPELJSDOAYQUBF-CXAGYDPISA-N 314.300 5.506 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1c(F)ccnc1Cl 2370965416 NQTSZEXTGHPCMC-MRXNPFEDSA-N 301.833 5.222 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2 14548802 KQYZNXPEHLLZFP-YZVOILCLSA-N 309.434 5.139 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F 37936110 GFNXWJMMPPLLJU-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE Cc1cc(C)c2c(c1)c(C#N)c(Cl)n2Cc1ccccc1C 71465705 MQQIAJFMOJHUBR-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(Br)o1 125015182 KDHCMUSVFARQQW-CYBMUJFWSA-N 316.283 5.443 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(F)c(C(F)(F)F)c1 158099373 QLQNCLRBOIWICU-HNNXBMFYSA-N 305.359 5.466 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Br)c(C)c1 158127265 KEJQJGJMTQIODW-INIZCTEOSA-N 312.295 5.379 30 10 DKEE CCCCCCCCCC[C@H](N)c1csc2ccccc12 162290971 SIDIWPVPWUADSB-SFHVURJKSA-N 303.515 6.432 30 10 DKEE N#Cc1c(F)cccc1Nc1cc(Cl)cc(C(F)(F)F)c1 169161102 ZUBIOFIKZAFGSS-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCC[C@@H]1CNc2ccc(Br)cc21 232956904 CFTSTRDUCFBUJU-CQSZACIVSA-N 324.306 6.099 30 10 DKEE C=CCCCCC[C@H](NC)c1ccc(OCc2ccccc2)cc1 310440217 PLVDCHJVQNHAIO-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1cc(Cl)sc1Cl 312773315 UNCRPIHQPMBGLJ-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE Cc1cccc(N=C2NC3(CCCCC3)CCS2)c1Cl 687321635 HGHMIWOBJOJURL-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE CCCCCCCCCC[C@H](NC)C(F)(F)C(F)(F)F 692649516 PTLWFPCVXBADNV-LBPRGKRZSA-N 303.359 5.303 30 10 DKEE CC[C@@H]1CCC[C@H](Nc2ccc(Br)c(C#N)c2)CC1 709685600 NQHSETWMQJSRKI-OCCSQVGLSA-N 321.262 5.092 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccccc1Br 821996689 KYYSZYIALSQDIK-VBQJREDUSA-N 322.290 5.235 30 10 DKEE N#C[C@@H](c1ccccc1)c1ccc(N=Cc2ccco2)cc1Cl 1088737020 STTBTRTZJIQTQX-SFHVURJKSA-N 320.779 5.339 30 10 DKEE N#Cc1cccc(C(F)(F)F)c1-c1cccc(C(F)(F)F)c1 1848368065 HZUOQHOPHPHQGN-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCCCCCCCCOCC1(NCc2ccccc2)CCC1 1915837327 PUZKYQIRSDTMIM-UHFFFAOYSA-N 317.517 5.466 30 10 DKEE CCCCCCCC[C@]1(O)CCCC[C@H]1OCc1ccccc1 1977471543 LAUWVPQXCLPTOO-RTWAWAEBSA-N 318.501 5.628 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CCN(Cc2ccccc2)C1 1988153976 AQUMPQFCZFPSSC-RTWAWAEBSA-N 317.517 5.010 30 10 DKEE CCCCCC#CC[C@H](O)c1ccc(OCc2ccccc2)cc1 2024330623 MSKJYKGUWRSKHM-QFIPXVFZSA-N 322.448 5.273 30 10 DKEE CSc1c(C(F)F)ccc(C(F)(F)F)c1C(F)(F)F 2060211381 AXDZGFZEJRIERO-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CCCCCC1CC(Nc2ccc(Br)cc2C#N)C1 2123372216 HBDGRZFDJRBKJC-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=C1CC([C@H](NCCC)c2c(Cl)ccc(Cl)c2F)C1 2139392900 HRJIMMDLOMVJHF-HNNXBMFYSA-N 302.220 5.139 30 10 DKEE C[C@@H]1C[C@](C#N)(Nc2ccc(Cl)cc2)c2ccsc2S1 2152748379 IZIGYKULGSIOAG-MEBBXXQBSA-N 320.870 5.117 30 10 DKEE N#C[C@]1(Cc2cc(Cl)sc2Cl)CCc2ccccc2C1 2195414407 QITMBLXLMYTPEP-MRXNPFEDSA-N 322.260 5.296 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1c(Cl)cncc1Cl 2203809201 DMYHUVULSAAIHQ-OAHLLOKOSA-N 313.272 5.013 30 10 DKEE C#C[C@@H](N[C@H](CC)c1ccc(Cl)c(Cl)c1)C1CCCC1 2204030722 HCIMCLPYLNNZNW-IAGOWNOFSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCN(C)Cc1cc(Br)co1 2220084479 STKSESOXUJYYSX-UHFFFAOYSA-N 314.267 5.001 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1 2227273027 PVXPLWZBJFHKCI-MRXNPFEDSA-N 301.257 5.944 30 10 DKEE C=CC[C@H](C)[C@H](Cc1cccc(Cl)c1Cl)NCCC 2227509247 QZRNZHIQVGOPJJ-WFASDCNBSA-N 300.273 5.116 30 10 DKEE Cc1c(Cl)cccc1Nc1c(Br)cccc1C#N 2257481651 HINCIVOJCZFWLR-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=C[C@H](C)CCN(C)CCSc1cc(Cl)ccc1Cl 2273211811 YJOMADAIIMWMFU-LBPRGKRZSA-N 318.313 5.230 30 10 DKEE C#CC[C@@H](C[C@@H](NC)c1cc(Cl)c(Cl)cc1C)C1CC1 2286479014 PITYZWHVSCAVTF-SUMWQHHRSA-N 310.268 5.002 30 10 DKEE C=CCCCCCCCS[C@@H](c1sccc1C)[C@H](C)N 2287096095 HHIPYJKJBGVXOY-DOTOQJQBSA-N 311.560 5.705 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2287471451 AZYUXIXQNOBNRY-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE Cc1cc(C(F)(F)F)sc1C(=O)C1=CCC(C)(C)CC1 2295248011 ONJZZRNVKYYAMS-UHFFFAOYSA-N 302.361 5.395 30 10 DKEE C=CCC[C@H](C)Oc1ccc(Br)cc1C(C)(C)C 2318532794 BNUWISWQGNIIER-LBPRGKRZSA-N 311.263 5.480 30 10 DKEE CC(=NOCc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 2318633931 UVXAZVJTYOCDCE-UHFFFAOYSA-N 315.844 5.578 30 10 DKEE Cc1c(Cl)ccc(Nc2cc(Cl)ccc2C#N)c1Cl 2340136640 CKJVMDSYIAIMKS-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1C)NN 2364004907 PITYYQUTNXJGRC-AWEZNQCLSA-N 317.304 5.037 30 10 DKEE C#CCCCCCCN[C@@H](C)c1cc(F)c(Cl)cc1Cl 2364161741 XWSQJSSTGDLAGP-LBPRGKRZSA-N 316.247 5.367 30 10 DKEE CCCCCCCCC[C@](C)(O)c1c(F)ccnc1Cl 2370965415 NQTSZEXTGHPCMC-INIZCTEOSA-N 301.833 5.222 30 10 DKEE N#CCc1sc(-c2c(Cl)cccc2Cl)nc1C1CC1 82436785 YAOVRYKJRSQFLU-UHFFFAOYSA-N 309.221 5.060 30 10 DKEE CCOc1ccc(C)cc1C(=O)/C=C/c1ccc(OC(C)C)cc1 83205221 SZLZVOKBHJQLFG-FMIVXFBMSA-N 324.420 5.077 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(F)cc(Br)c2)C1 94004415 VUTVYHCGLXXBSH-WBMJQRKESA-N 324.237 5.241 30 10 DKEE SCCCCCCCCCSc1ccc(Cl)cn1 97800151 WLXIYBBPSJFZOU-UHFFFAOYSA-N 303.924 5.488 30 10 DKEE CCCCCCC[C@H](N)c1ccccc1OCc1ccccc1 309998142 CLKAYHOLLXHQRO-FQEVSTJZSA-N 311.469 5.626 30 10 DKEE CCCCCCCCC(=O)c1ccc(OCc2ccccc2)cc1 310531874 ZJQYMHCROBUQPV-UHFFFAOYSA-N 324.464 6.199 30 10 DKEE CCCCCCCCOCc1ccc(C)c(Br)c1 313742008 SYYULIQZMWGWHC-UHFFFAOYSA-N 313.279 5.635 30 10 DKEE C#CCCC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 383314143 RGXSGGLKTNNPCJ-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1F)c1c(Cl)cccc1Cl 400904023 OMNQWENPEOWHSK-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC(C)C[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698385399 YMCMJZMRDZNVLX-RDJZCZTQSA-N 322.493 5.131 30 10 DKEE CC[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698913746 FOBZVSVMYJWOCH-DOMZBBRYSA-N 322.836 5.020 30 10 DKEE CCCCCCCCC[C@@H](N)C[C@@H](C)COCc1ccccc1 719137586 VDACTPCPABUBHY-TZIWHRDSSA-N 319.533 5.697 30 10 DKEE C=C1CCC(C[C@@H](N)c2ccc(OCc3ccccc3)cc2)CC1 724602341 JYNGSBDVUBKBJC-JOCHJYFZSA-N 321.464 5.402 30 10 DKEE CSc1cc(SC(F)(F)F)c(CC#N)c2ccsc12 725318634 STEWGLWIVSCGHI-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C=CC[C@H](O)[C@]12C=CC[C@@H]1[C@@H]1CC[C@@H]3CCCC[C@@H]3[C@@H]1CC2 1082166374 FTAJQPVAFOWCFP-WYLBFHJUSA-N 300.486 5.112 30 10 DKEE Cc1ccc(NN=Cc2ccc(-n3c(C)ccc3C)cc2)c(C)c1 1088739613 CTSHUWUTXFHZDI-UHFFFAOYSA-N 317.436 5.157 30 10 DKEE FC(F)(F)c1ccc(Cl)c(C#Cc2cccc(Cl)c2)c1 1614826999 YFVWEZLQBWAVSC-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 1874052701 LNJRJYWJDMCQIN-GOSISDBHSA-N 317.517 5.465 30 10 DKEE CC(C)C[C@H](CS)CN(Cc1ccccc1)[C@H](C)C(C)C 1893839711 QPUMIXAWDIPHKT-MJGOQNOKSA-N 307.547 5.125 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C[C@H](O)CC 1915113145 HMWFALPKGDFKFW-OAQYLSRUSA-N 319.533 5.400 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)C2CCC2)C1 1946842980 UFURHMQAEAKQFB-ZVDOUQERSA-N 324.512 5.396 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccsc2Br)C1 2002989769 BYUZCYATTGIBAT-CQSZACIVSA-N 312.276 5.163 30 10 DKEE C=CC[C@H]1CCCC[C@H]1NCc1cc(Cl)c(Cl)s1 2037455472 JBCKMPWDLLCIGH-GXFFZTMASA-N 304.286 5.279 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](C)c1cc(C)c(C)cc1C 2070161678 OVJWXUSANVDZIF-SFHVURJKSA-N 314.432 5.066 30 10 DKEE C=CCC[C@H](C)[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2164002124 GPJPMBVOKFAXPF-SJCJKPOMSA-N 305.874 5.671 30 10 DKEE C=CC1(C[C@H](NCCC)c2cc(Cl)ccc2Cl)CCC1 2168023411 LOUVWLOFDCNHAE-INIZCTEOSA-N 312.284 5.781 30 10 DKEE N#Cc1cc(F)c(Nc2cccc3ccsc23)cc1Cl 2177392536 GEIAMLHEIBBHSR-UHFFFAOYSA-N 302.761 5.309 30 10 DKEE CCCCCCCCCOc1cc(C)c(Br)cn1 2223241750 NYZKBBNOUYHWLI-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE CCCCCCCCCOCc1noc(C)c1Br 2223258308 KWIWNXZTTKSQKN-UHFFFAOYSA-N 318.255 5.013 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1 2227286020 LOAXMBBCFLGDFE-MRXNPFEDSA-N 300.273 5.910 30 10 DKEE CCCCCCCCCO[C@@H](CN)c1ccc(Cl)s1 2231008415 IPOCVUVAFUDTMU-ZDUSSCGKSA-N 303.899 5.169 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)cc(F)c1Cl 2231207413 OVHANVHRBVVQNC-UHFFFAOYSA-N 305.220 6.066 30 10 DKEE CCC[C@H](C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C(C)C 2234038118 WOVVKVQTSPCKHF-JSGCOSHPSA-N 312.240 5.242 30 10 DKEE C[C@@H](Nc1cc(C#N)ccc1Cl)c1cc(F)cc(Cl)c1 2238005324 ABOKYLFIOZMTCM-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=C(C)CCCCN(C)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2244628161 ZMYYAJJLWLMFLW-WOJBJXKFSA-N 315.501 5.049 30 10 DKEE C=C(CC)C[C@H](NCC)c1sc(Br)c(C)c1C 2247223070 IDAREXXVBJZFGH-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCCCCCCCNc1cc(Cl)c(Cl)cc1C 2266753386 ZFQIGHGXSXTQSR-UHFFFAOYSA-N 300.273 6.240 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(N)c1cccc(Cl)c1Cl 2284092248 XMICUNYYBCKDTQ-KRWDZBQOSA-N 310.268 5.163 30 10 DKEE CCCCCCC[C@H](O)[C@H](N)c1cc(Cl)c(Cl)cc1C 2284845851 RYKDCMCENCLISX-JKSUJKDBSA-N 318.288 5.023 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCC)c1ccc(Cl)cc1Cl 2335103194 IICKYYJEWZSPIR-XHDPSFHLSA-N 318.313 5.342 30 10 DKEE Fc1cc(COCC2(CS)CCCC2)c(Cl)cc1Cl 2349871350 TZBPBXNMRSLLCS-UHFFFAOYSA-N 323.260 5.139 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1 2363995776 FIIGRCPKFKMMEB-CQSZACIVSA-N 303.755 5.127 30 10 DKEE C[C@@H]1C[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)CCO1 2366900835 RGKHTHIHEVJDCW-WBMJQRKESA-N 312.240 5.025 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)c(C(F)F)s1 2371319350 ZHKABLYEOXODQY-LBPRGKRZSA-N 323.880 6.350 30 10 DKEE CC(C)c1ccc(/C=C\C(=O)c2nc3ccccc3s2)cc1 33789238 DAKVMFSKZCZQGA-XFXZXTDPSA-N 307.418 5.316 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154783 ZIOPNUPGIAUIAI-CKEIUWERSA-N 321.917 6.177 30 10 DKEE CCCCCCCC[C@H]1CCC[C@@H]1NCCCCCC(=O)O 43439804 LDSBMPQRBGVMMF-ROUUACIJSA-N 311.510 5.140 30 10 DKEE COc1cc(C)c(Cl)cc1-c1cc(C#N)c(C(C)(C)C)o1 77085502 YMRSMRGGRQHGMR-UHFFFAOYSA-N 303.789 5.086 30 10 DKEE CC[C@@H](C)C[C@](C)(O)C#Cc1ccc(Oc2ccccc2)cc1 95633809 PDOAYPHXJWQBQN-DYESRHJHSA-N 308.421 5.018 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(Cl)s1 103971370 XGQQBVWKKOJMLQ-LLVKDONJSA-N 309.887 5.853 30 10 DKEE CCCCCCC[C@H](C)NCc1ccc(Br)cc1 104622815 SKUYUDBFGZSNOD-AWEZNQCLSA-N 312.295 5.288 30 10 DKEE CCCCCCC[C@H](CSc1cccc(F)c1)NCCC 116702677 HXIYWYVNWPZSEY-QGZVFWFLSA-N 311.510 5.647 30 10 DKEE CCSc1cccc(Nc2cc(Cl)ccc2F)c1C#N 136623994 SPVUICOGUDOSMJ-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(F)c(Cl)cc1F 157880371 HYEIMGZGMJPTAO-QGZVFWFLSA-N 317.851 6.019 30 10 DKEE C(#Cc1ccc(-c2cccc3ccccc23)s1)c1ccccc1 197005782 ZJXJHVAECDLFEV-UHFFFAOYSA-N 310.421 5.968 30 10 DKEE CCCCCCCCCC[C@H](O)Cc1cccc(Cl)c1F 212332485 ZTQRELOVAXWAPB-INIZCTEOSA-N 314.872 5.913 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(OC)c(Cl)c1OC 224728041 MXNMNHGPPXQFBB-CQSZACIVSA-N 314.853 5.141 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Br)c(C)s1 227753622 JVHORSAFBJDUPJ-GFCCVEGCSA-N 305.281 5.213 30 10 DKEE CCCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@@H](C)S1 232938258 XUUGCORWNDCFKF-FMKPAKJESA-N 302.549 5.322 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Cl)ccc1Br 233160316 CQKMXMOXNCTUJD-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCC[C@H](O)c1cccc(OCc2ccccc2)c1 303759472 BHSKQXIIRIDAKS-NRFANRHFSA-N 312.453 5.660 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 686700820 HDDODIQZXRZSTI-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1ccc(Cl)c(C(F)(F)F)c1 695860897 YFPOOGSOQJHZSU-SECBINFHSA-N 304.743 5.099 30 10 DKEE C=CCCC(C)(C)CN[C@@H](CC)c1ccc(Cl)c(Cl)c1 704039424 KJTNQCFIAMTRLH-INIZCTEOSA-N 314.300 6.027 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(Cl)cn1 710100769 HRDKASYUCQIDPK-GFCCVEGCSA-N 304.846 5.186 30 10 DKEE CCCCCCCCCC(=O)CCCOCc1ccccc1 719560434 PAWWJPSQYUQCFA-UHFFFAOYSA-N 304.474 5.693 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1cc(Cl)c(Cl)s1 1888689335 PJEFJXSODZIRNZ-CQSZACIVSA-N 312.265 5.419 30 10 DKEE CCCCCCCCCOC(C)(C)CNCc1ccccc1 1915376330 XUXSQBUIIGDSMO-UHFFFAOYSA-N 305.506 5.322 30 10 DKEE CC(C)(C)OC(=O)Nc1ccc(CCCCCCS)cc1 1951390614 ZOJBYOYGLKVALF-UHFFFAOYSA-N 309.475 5.066 30 10 DKEE CC(C)(C)C1CCC([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CC1 1984463120 WTTICPUVFGLJJD-CKUJCDMFSA-N 306.299 5.321 30 10 DKEE CC[C@@H](C(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1988764426 LNCWHMZFUVFQHK-IRXDYDNUSA-N 316.445 5.002 30 10 DKEE CC[C@@](C#N)(Cc1ccc(Cl)cc1Br)C(C)C 2012408604 DMBLDKGIFPKUKQ-AWEZNQCLSA-N 314.654 5.221 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 2040746822 FRZGICYPYKQDNZ-UHFFFAOYSA-N 310.702 5.255 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2cccc(C)c2Br)C1 2087878764 BNTQTBAVSJLSFI-WMLDXEAASA-N 323.274 5.086 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc(Cl)sc1C 2098168375 CFPIGQYXLDSDPR-OAHLLOKOSA-N 302.867 5.063 30 10 DKEE CC(C)C(CCNc1ccc(Br)cc1C#N)C(C)C 2132737912 CGVZGMNOWOPMMR-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE CCCCCCCCC[C@H](NC)c1ncc(C(F)F)s1 2154771381 BCEAULKTTHBVTM-LBPRGKRZSA-N 304.450 5.482 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc(-c2ccccc2Cl)s1 2164068955 NDFNVHZTOKLVAP-GFCCVEGCSA-N 304.842 5.854 30 10 DKEE CCCCCCC[C@@H](NCCC)c1c(Cl)cncc1Cl 2164225114 CIIKDYYDWSGJFL-OAHLLOKOSA-N 317.304 5.790 30 10 DKEE CC1(C)CCC[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 2168548144 MQUQMPZHLPWPBJ-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 2173290829 RSOUIPAUICLGRK-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)CSc2ccccc2Cl)CC1 2181672771 ZSXSPUAZCLDQRZ-ZDUSSCGKSA-N 308.874 5.384 30 10 DKEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1ccccc1Cl 2184461156 WEWFBYODCXIBMF-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCCCCCCC[C@H](N)[C@@H]1SCCS[C@H]1C 2207430805 YMUQRSKBENVUSB-YESZJQIVSA-N 315.592 5.248 30 10 DKEE CCCCCCCCCCOCc1ccc(Cl)nc1Cl 2239486485 HMPOHPZRBCKQPB-UHFFFAOYSA-N 318.288 6.046 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1c(C)c(C)c(C)c(C)c1C 2252596427 AZYWUFRKHBLMCO-UHFFFAOYSA-N 321.508 5.807 30 10 DKEE CC(C)c1cc(Br)cc(C(=O)C2=CCCCC2)c1 2254720166 QBVQKIIVCGNRID-UHFFFAOYSA-N 307.231 5.256 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2259196610 MCVBKJQQKRFXFX-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967853 UQWFPYKTYIIGHR-CXAGYDPISA-N 324.306 5.435 30 10 DKEE CCCCCCCCC[C@@H](C)NCCC1SCCS1 2278240653 QHBBVRUIESXTAJ-OAHLLOKOSA-N 303.581 5.301 30 10 DKEE CCCCCCCCCOc1cc(Cl)sc1CNCC 2288324072 OSBUCTYAKIGIKL-UHFFFAOYSA-N 317.926 5.640 30 10 DKEE CCCCCCCCC[S@](=N)(=O)C[C@@H](CC)CCCC 2295795195 MNIRYNUTHIQOLY-PXNSSMCTSA-N 303.556 6.000 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(Cl)s1 2313641987 OACBOBATGBHTQN-NWDGAFQWSA-N 303.924 5.140 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2323602454 RHQJCGVZZUREJT-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE CCCCCCC[C@](C)(O)Cc1ccc(Cl)c(Cl)c1C 2364013657 GBFVZGMYEBJGKX-KRWDZBQOSA-N 317.300 5.956 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1cccc(Cl)c1Cl)NCC 2370520848 DWGCZZPFHLKZFG-DOTOQJQBSA-N 314.300 5.506 30 10 DKEE CN1C[C@H](c2ccccc2)/C(=N\c2ccccc2)c2ccccc21 5328884 UOTIOZGZEGQTAS-UXDFZSADSA-N 312.416 5.041 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154789 ZIOPNUPGIAUIAI-GRDNDAEWSA-N 321.917 6.177 30 10 DKEE CC(C)(C)[C@H]1CCC[C@@](C#N)(Nc2ccc(Cl)cc2)CC1 86959615 PDRTVIJOGSICMZ-KBXCAEBGSA-N 304.865 5.641 30 10 DKEE CCCCCCCCCC[C@@H](CSCCC)NCCC 115644538 YAJLTSCZWUIWJX-SFHVURJKSA-N 301.584 6.029 30 10 DKEE CCCCCCCCCCCC[C@H](NN)c1csc(C)n1 122722167 BQYJSNPZXMATHK-INIZCTEOSA-N 311.539 5.267 30 10 DKEE CCCCCCCCOc1ccc(Br)c(C=O)c1 128623416 CDRJLWPGTATYKH-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE C=CCSc1ccccc1NCc1ccc(C(F)F)cc1 131362202 TVRFQUXKAIWROK-UHFFFAOYSA-N 305.393 5.514 30 10 DKEE CC(C)(C)c1ccc(CNc2ccc(Cl)c(C#N)c2)s1 165912151 ISYFZNPTVGJMRD-UHFFFAOYSA-N 304.846 5.183 30 10 DKEE CCCCCCCCC[C@H](Cc1cccc(Cl)c1F)NC 212373572 ULMUPAKIWSOMTR-MRXNPFEDSA-N 313.888 5.750 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2 226892068 KYAZTHJCMMFORA-GUXCAODWSA-N 323.461 5.530 30 10 DKEE CCCCCCCC[C@H]1CNc2ccc(Br)cc21 232929496 BIWUHUJOAXUWCY-ZDUSSCGKSA-N 310.279 5.709 30 10 DKEE CCCCCCCCN[C@@H](C)c1cccc(Cl)c1Cl 232934539 ZFMPXUNGZCLHGZ-ZDUSSCGKSA-N 302.289 6.005 30 10 DKEE C[C@H](Nc1ccc(F)cc1C#N)c1cc(Cl)sc1Cl 235530448 XPWCENRMQVBZDX-ZETCQYMHSA-N 315.200 5.239 30 10 DKEE Fc1cccc(-c2cc(OC(F)F)ccc2C(F)(F)F)c1F 514256196 XCDCOFXRUXUZCM-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 710721762 XNWGLCFRYRZUTF-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)CC(C)(C)C 710781669 CQAJBFCSWZFECR-HNNXBMFYSA-N 316.445 5.065 30 10 DKEE Fc1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 1848368011 BPFKJSSDFFLMMG-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCCCCCCCNC(=O)Cc1ccc(-c2ccccc2)cc1 1859575211 NLSYZUZMMKNFSJ-UHFFFAOYSA-N 323.480 5.373 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@@H](CO)C1CC1 1915280714 HSVSTRLFTZEEIK-NRFANRHFSA-N 317.517 5.010 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCCC23CCC3)c1Br 1921636926 RODXPRKBTFFWQO-QGZVFWFLSA-N 318.258 5.164 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)c1c(C)cc(C)cc1C 1922090688 BOBNZYQZXZUXGN-JOCHJYFZSA-N 323.480 5.035 30 10 DKEE CCCCCCCCC(=O)c1scc(C)c1Br 1950856468 HXDWKKLHVGXBJL-UHFFFAOYSA-N 317.292 5.752 30 10 DKEE C=CCCCCn1ccc2cc(OCc3ccccc3)ccc21 1984509743 DMTKYHOMHMIHBI-UHFFFAOYSA-N 305.421 5.577 30 10 DKEE C=CCCCCCCCCC1(N)CC(OCc2ccccc2)C1 1995328175 PCOARJJQSRFNGP-UHFFFAOYSA-N 315.501 5.370 30 10 DKEE C=CCC[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2048233103 PIRBFOUJPNRAFS-UWVGGRQHSA-N 306.664 5.652 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1ccc(C2CCC2)cc1 2070172636 XYBFERXRJXPIJY-INIZCTEOSA-N 318.464 5.399 30 10 DKEE CCCCCCCCCc1nc(Cl)c(C2CC2)c(Cl)n1 2187982149 UJCLAENHAJKWMZ-UHFFFAOYSA-N 315.288 5.954 30 10 DKEE C#CC[C@H](C[C@H](NCCC)c1scc(C)c1Cl)C1CC1 2196860475 ZSGZMENWGCGQCA-CABCVRRESA-N 309.906 5.190 30 10 DKEE CCCCCCCC[C@H](C)N[C@H]1CC[C@H]1OCc1ccccc1 2212664491 OZVQDWYKBRGKTF-SESVDKBCSA-N 317.517 5.463 30 10 DKEE C=C1CC([C@@H](NCCC)c2cc(Cl)c(Cl)c(Cl)c2)C1 2224386887 XHHLRUUVCQXZJL-OAHLLOKOSA-N 318.675 5.654 30 10 DKEE CCC(CC)(CS)CSCC1(C(F)(F)F)CCC1 2261500411 XSGLEMFIRNKILA-UHFFFAOYSA-N 300.455 5.188 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cccc(SC(F)(F)F)c1 2287387339 FWBSLPKTDDSXHV-CQSZACIVSA-N 303.393 5.435 30 10 DKEE CCCCCCCC[S@@](=N)(=O)CC1(C(F)(F)F)CCC1 2290341085 PNEDTTZAZOAOIG-HXUWFJFHSA-N 313.429 5.126 30 10 DKEE CCCCCCCCC[C@](C)(O)c1csc(C(F)F)c1 2295583844 ULWKQYBGGKKVHJ-INIZCTEOSA-N 304.446 6.034 30 10 DKEE C=CC[C@@H](C)C(=O)c1c(C)c(C)c(Br)c(C)c1C 2324092969 PQOWKEDAGMRGSW-SECBINFHSA-N 309.247 5.078 30 10 DKEE CCc1ccc(C(=NOCCCc2ccccc2)C2CC2)cc1 2330297680 ZGBNCGZKCSGUIZ-UHFFFAOYSA-N 307.437 5.013 30 10 DKEE C=CCC(CC=C)NCc1cc(Br)cc(C(C)C)c1 2335099129 SCWSIHWHAHUSSP-UHFFFAOYSA-N 322.290 5.183 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1scc(Cl)c1Cl 2339559847 MHQYNBIPVYPTGB-CMPLNLGQSA-N 316.297 5.145 30 10 DKEE C=C1CCC(C[C@H](O)c2cc(F)c(Cl)cc2Cl)CC1 2349908212 JXNXDOINNIKZSM-HNNXBMFYSA-N 303.204 5.302 30 10 DKEE Cc1c(Cl)ccc(NC[C@H](C#N)C2CCCCC2)c1Cl 2365679359 IPQFZEFRQSETSQ-ZDUSSCGKSA-N 311.256 5.434 30 10 DKEE Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3ccc(F)cc3)o1)O2 39842524 RXKGDEYEFGYMPO-ODLFYWEKSA-N 320.319 5.010 30 10 DKEE N#CCc1oc2ccc(-c3ccccc3)cc2c1C(F)(F)F 77071905 KQJHAKYDMLHLDU-UHFFFAOYSA-N 301.267 5.185 30 10 DKEE Cc1ccc2cc(/C=C\C(=O)c3ccccc3)c(Cl)nc2c1 98053745 YYRXIGHIQWGQPD-KTKRTIGZSA-N 307.780 5.093 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1ccc(CC)s1 115856208 FOGFGYRUJROKCD-GOSISDBHSA-N 309.563 6.492 30 10 DKEE CCCCCCCCC[C@H](O)C1CCC(C(F)(F)F)CC1 135354653 ZHVXFRZRMFMBRD-GPANFISMSA-N 308.428 5.857 30 10 DKEE CCCCCCCC[C@@H](NC)c1c(Cl)cccc1Cl 159038534 NMJCFCJXOOQMHB-OAHLLOKOSA-N 302.289 6.005 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232992823 YCSOVRILMWFTNO-YVSFHVDLSA-N 317.608 5.341 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Cl)cc(Br)c1 233122853 ODGYGMPJFSNXJF-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=C([C@H](NCCC)c1cc2cscc2s1)C(F)(F)F 694324941 DRDJZZIKSJMTFF-LBPRGKRZSA-N 305.390 5.122 30 10 DKEE C=C(C)CCOC[C@@H](NCCC)c1cccc(Cl)c1Cl 708944946 CXPISYBQPHEFIA-OAHLLOKOSA-N 316.272 5.017 30 10 DKEE CCCCCCCC[C@@H](NC)c1oc(Br)cc1C 716231395 RZZPEMNUZYFFOY-CYBMUJFWSA-N 316.283 5.362 30 10 DKEE Cc1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1 1084489183 WWVQNCBTVXLNIA-UHFFFAOYSA-N 301.389 5.325 30 10 DKEE C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1C 1860024902 AFNJEJDRLKMWAF-QFBILLFUSA-N 313.485 5.191 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)sc2Cl)CCCCC12CCC2 1883075693 WZWQZGNPBZUZFJ-HNNXBMFYSA-N 314.281 5.852 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1scc(C)c1Br 1950857247 VEIDJEUTTNUREX-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Br)cs1 1996465974 FFEZPMGBAYKQFP-BXUZGUMPSA-N 316.308 5.154 30 10 DKEE C=CCCCCC[S@@](=N)(=O)c1ccc(Cl)cc1Cl 2073737645 CGNRNBHHMWJVBX-GOSISDBHSA-N 306.258 5.145 30 10 DKEE C=CCCCCCC[C@H](NC)c1scc(Cl)c1Cl 2085851380 GKATZLHJKYGBPE-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE C[C@@H](CC1=CCCCC1)Nc1cc(Br)ccc1C#N 2105126439 RATJFERDSZBHJG-LBPRGKRZSA-N 319.246 5.012 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2ccc(Cl)cc2Cl)C1 2168547342 GTDGPZYFQUIHNS-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE CC1(CC(=O)[C@H](C#N)c2c(Cl)cccc2Cl)CCCC1 2168893485 CBVUDEHQPMNQMM-NSHDSACASA-N 310.224 5.140 30 10 DKEE C=CCCC[C@@H](NCC)c1cccc(Cl)c1C(F)(F)F 2173116050 QRYABYQAIDMTHD-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE CCCCCCCCCCCCCC(=O)CCSCC 2182305695 HSDHIOWSIQRFMN-UHFFFAOYSA-N 300.552 6.400 30 10 DKEE C=CCCC[C@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2204239250 XDQRIFLAZQENCG-AWEZNQCLSA-N 316.272 5.399 30 10 DKEE CCC#CC[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205867843 XHFWQNKGSWETNN-CQSZACIVSA-N 303.496 5.321 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1ccc(Cl)c(F)c1F 2206893195 YBOPWURPZMAESK-MRXNPFEDSA-N 301.808 5.319 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1c(Cl)cccc1Cl 2206893549 BADQHTUJJIGHIC-MRXNPFEDSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1cc(C)c(Cl)s1 2207416549 XLWPOGUSLIYGMS-OAHLLOKOSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1ccc(Cl)s1 2207430826 YSIDOBXVKHBQKH-OAHLLOKOSA-N 313.938 6.359 30 10 DKEE CCCCCCCC[C@H](O)C(=O)c1cc(Cl)ccc1Cl 2207444306 IJNDPGZNCUGOMU-HNNXBMFYSA-N 317.256 5.288 30 10 DKEE CCCCCCC[C@H](N)c1sc(Br)c(C)c1C 2213631123 VIDIQSINYTYDSF-LBPRGKRZSA-N 318.324 5.488 30 10 DKEE C[C@@H](CC(=O)[C@H](C#N)c1cc(Cl)ccc1Cl)C(C)(C)C 2234053282 HRDVDOZZBFEEMT-GXFFZTMASA-N 312.240 5.242 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1)c1cc(Cl)ccc1Cl 2234060271 XXSFLGUDEATNMF-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE CSc1ccc(Oc2cc(Cl)c(C#N)cc2F)cc1C 2236024243 SVCHQXHSERFBNO-UHFFFAOYSA-N 307.777 5.173 30 10 DKEE CCCCCCC[C@H](N)c1ncc(C(F)(F)F)cc1Cl 2239901042 LWQBEQRYXOKJCY-LBPRGKRZSA-N 308.775 5.114 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1cccc(Cl)c1Cl 2240622909 ZGIACGKPTKMBIP-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE C=C([C@H](O)c1cc(Br)cc(C(C)C)c1)C(C)(C)C 2254768562 OKNJWQPFZNXFFS-HNNXBMFYSA-N 311.263 5.208 30 10 DKEE Cc1ccc(Nc2c(Br)cccc2C#N)c(Cl)c1 2257483001 ZPWNTNUXWIDDGT-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCSc1ccc(F)c(Cl)c1CN[C@@H](C)CC 2271496994 CUHQJEPBLRTOSA-NSHDSACASA-N 301.858 5.035 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1ccc(Cl)cc1Cl 2289871016 WZTRNTPHDOORLK-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE FC(F)(F)C1(CSC[C@H](CS)c2ccccc2)CCC1 2290388608 WQSIJVIKHDQPFD-ZDUSSCGKSA-N 320.445 5.166 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1c(Cl)cccc1Cl 2344346351 RUJKKLXWESCYPP-CVEARBPZSA-N 300.273 5.636 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2344378428 GFKBYRQUGAKGIU-BMIGLBTASA-N 320.691 5.900 30 10 DKEE C=CCCCCC[C@H](NC)c1c(Cl)cc(C)cc1Cl 2353050583 IRRSBUSPSNNCLS-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1cc2cscc2s1 2364084222 RYLRLGOCZVRYOR-KRWDZBQOSA-N 305.512 5.772 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cc2sccc2s1 2370483337 SQSBKAIIZLAUDT-IAGOWNOFSA-N 307.528 5.996 30 10 DKEE N#Cc1sc(-c2ccccc2Cl)c(-c2ccccc2)c1N 44273986 YNOBEYNGKWSAHQ-UHFFFAOYSA-N 310.809 5.189 30 10 DKEE Clc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 59302319 LBLHKETWGGNEFT-UDWIEESQSA-N 315.203 5.535 30 10 DKEE Cc1cc(C#N)cc(C)c1OCc1cc(Cl)ccc1Cl 88154891 MIWSVNRGNLVHQU-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE CCOc1ccccc1N/C=C\C(=O)c1ccc(C(C)C)cc1 103029847 RLJFKMLKYDDKSH-YPKPFQOOSA-N 309.409 5.017 30 10 DKEE Cc1cc(Br)ccc1Nc1cccc(Cl)c1C#N 104000052 FOHQJXMDZZSPHU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCNCc1cc2ccccc2nc1Cl 104469954 WVPMKBQZJQGZIY-UHFFFAOYSA-N 304.865 5.338 30 10 DKEE COc1ccc(/C=N\[C@H](c2ccc(C)cc2)c2cccs2)cc1 105255414 KYDQUONPKBCENH-PLDFPGSMSA-N 321.445 5.274 30 10 DKEE C#C[C@H](C)Cc1cc(C(C)(C)C)c(OCCC)c(C(C)(C)C)c1 107631174 ZHKPQQQAUVBVPM-INIZCTEOSA-N 314.513 5.882 30 10 DKEE CCCCCCCCCCOC(=O)c1ccc(Cl)cc1N 109895422 XEQIUIYBUNYGMI-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE CCCCCCCCSc1ccc(CNCC(C)C)cc1 130528662 APYLFSCIMADYBF-UHFFFAOYSA-N 307.547 5.885 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CC1CCSCC1 143493750 YGIZEUWYWIUDIH-LJQANCHMSA-N 313.595 6.158 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc2c(s1)CCC2 157963548 NBNSKSNQFZUAQT-QGZVFWFLSA-N 307.547 6.028 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(Br)ccc1Cl 229758062 IFMJNTVCTHJSTE-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE Cc1ccc(N=C/C=C2/N(C)c3ccccc3C2(C)C)c(C)c1 254771226 KUKILXNQQJEDDT-ULUZADDESA-N 304.437 5.317 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 308053564 JFOQZVYXJMMENJ-DGCLKSJQSA-N 312.240 5.242 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 308054819 LQAYRRYAXYBXGO-RISCZKNCSA-N 312.240 5.242 30 10 DKEE CCCCCCCCC[C@H](N)c1coc(Br)c1 383336102 QYVRMDZOVJTGTE-ZDUSSCGKSA-N 302.256 5.183 30 10 DKEE C=C(CC)C[C@@H](N)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 407822967 STAAJIATDRIXFI-CQSZACIVSA-N 324.852 5.043 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1 692240647 QFLYSXNRLCXGNE-OGHNNQOOSA-N 312.284 5.779 30 10 DKEE CC(C)(C)C1CCC(=NOC(=O)c2ccccc2Cl)CC1 1860466589 ADQXMTIBXKUQNP-UHFFFAOYSA-N 307.821 5.089 30 10 DKEE CC#CCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 1885239223 ZSWKBBGSUWCJIL-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@@H](C)CO 1914199838 MKKGJGUCLOTMGL-IBGZPJMESA-N 305.506 5.010 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCCCCCC)NCCC 1922081464 XNUZENRCBBUVAW-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE N#Cc1c(F)cccc1N(Cc1ccccc1)CC1CCCCC1 1946759737 FZMYIUSHOQKBGD-UHFFFAOYSA-N 322.427 5.284 30 10 DKEE N#Cc1ccc(CN(Cc2ccccc2)C2CCCCC2)cc1F 1946852308 UBNWSFXLTQRGLT-UHFFFAOYSA-N 322.427 5.032 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccccc1OCc1ccccc1 1996468393 CKONBJYIBGORJF-PGRDOPGGSA-N 323.480 5.519 30 10 DKEE C=C(C)CC[C@H](NCCC)c1sc(C)cc1Br 2000448154 OVISXFCWUMQKLU-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CCC[C@@H](C)Oc1ccc2cc(Br)ccc2c1 2040520197 XJDAJBVGYBTEIV-GFCCVEGCSA-N 305.215 5.336 30 10 DKEE CCCCCCCCCCCC[C@H](N)CCP(C)(C)=O 2177191879 VRFSMKSZJHOOCM-KRWDZBQOSA-N 303.471 5.638 30 10 DKEE C=CCCCCCCCNCC[C@H](C)N(C)Cc1ccccc1 2211145956 MNUSPWNWDXSDII-FQEVSTJZSA-N 316.533 5.013 30 10 DKEE Cc1c(Br)csc1C(=O)C1=CCC(C)(C)CC1 2213770925 YLANZGCCFTYFCJ-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CCCCCCCCC(=O)c1cc(C)c(Br)o1 2220097017 KHTMIHDZJYCHMP-UHFFFAOYSA-N 313.235 5.450 30 10 DKEE CCCCCCCCCOCc1ccc(Br)nc1 2223244489 ZSBJIRSPIXPDQM-UHFFFAOYSA-N 314.267 5.111 30 10 DKEE C=C[C@H](CCCCC)OCc1cccc(F)c1Br 2223286502 IFKBQGHFIBIWQP-CYBMUJFWSA-N 315.226 5.240 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc(Cl)cc(Cl)c1 2235519605 RPBXGSZMYGUJBY-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE CC1(C)CCCC[C@]1(C=O)CCCC(F)(F)C(F)(F)F 2240468262 FZVXPXRHZQGRMP-GFCCVEGCSA-N 300.311 5.140 30 10 DKEE N#Cc1cccc(Br)c1SCCCCCC1CC1 2257500844 VEYLHBWYZSLSCW-UHFFFAOYSA-N 324.287 5.383 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1C 2279042869 QOKJUFZRECRNRG-QGZVFWFLSA-N 317.300 6.476 30 10 DKEE C=CCCCCCCCSC[C@@H](N)c1sc(C)nc1C 2287196539 UGHRFTQANMFEGG-OAHLLOKOSA-N 312.548 5.020 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1 2297630840 MQLWVBSVJPJQAZ-UHFFFAOYSA-N 310.702 5.255 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1sc(C)c(Br)c1C 2304086150 MQCNUTYONCXBQU-CQSZACIVSA-N 315.276 5.303 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1ccc2c(c1)CCC2 2330481421 CTXCDMLVUBTSQZ-UHFFFAOYSA-N 315.416 5.269 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(Cl)cc1Cl 2344336013 FPQQOBDDOXBAKH-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE C=CC[C@@H](C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2344345829 OSMMEVDIKMNUGR-MLGOLLRUSA-N 324.306 5.219 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(C)cc(Br)c1 2344382138 DYSIYWZSXOYABR-IAGOWNOFSA-N 324.306 5.401 30 10 DKEE CCCC(CS)(CCC)CN(C)C[C@](C)(CC)C(F)F 2361881940 IDQLBIWBWSRWQE-HNNXBMFYSA-N 309.510 5.116 30 10 DKEE Cc1c([C@H](O)[C@@]2(C#N)CCCC2(C)C)ccc(Cl)c1Cl 2366024721 PTFVINLWMUZGDF-HOCLYGCPSA-N 312.240 5.055 30 10 DKEE CC1(C)CCC[C@@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366909862 NJIWWPKGWRUCJW-QGZVFWFLSA-N 310.268 6.036 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 14464848 NLYKBTGKQORCRM-BXWFABGCSA-N 306.796 5.038 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 14551483 SFZZHWBEQQVHKU-LQWHRVPQSA-N 303.405 5.078 30 10 DKEE C#C/C=C/CCCCCCCCCC/C=C\CCCCCC 42808069 JJKRBORDDAKFCT-TZXBVGHOSA-N 302.546 7.603 30 10 DKEE CCc1cccc(Nc2c(C#N)cnc3ccc(Cl)cc23)c1 64438679 LEHCZNLIEQFQCO-UHFFFAOYSA-N 307.784 5.066 30 10 DKEE Cc1ccsc1[C@@H](C)Nc1ccc(C#N)cc1C(F)(F)F 70090643 LDDWKWIVSWWDED-SNVBAGLBSA-N 310.344 5.120 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc1 83204699 VAVYGVPMHRRBQB-VGOFMYFVSA-N 324.420 5.159 30 10 DKEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1 105975362 NGVYETHCGJDQSP-RTBURBONSA-N 301.474 5.047 30 10 DKEE CC[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1Cl 126251976 FZAABWVNDKJFQY-HNNXBMFYSA-N 323.198 5.567 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc2sccc2s1 158950413 TZRADVRCGWNQHD-HNNXBMFYSA-N 323.571 6.754 30 10 DKEE CCCCCCCCCC[C@@H]1Oc2ccc(C)cc2C1=NO 254627728 VVRUMXVGPNEDPX-SFHVURJKSA-N 303.446 5.465 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@@H]1CCCSC1 380043126 NZJNCTWRNAXMCI-QZTJIDSGSA-N 300.552 5.802 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1NCC#CC(C)(C)C 691159990 FFRKCTVWLTWFRK-UHFFFAOYSA-N 307.437 5.035 30 10 DKEE N#Cc1ccc(Cl)c(NCc2cc3cscc3s2)c1 693975471 SKIJWONFAOGNQX-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE CSc1ccc2sc(SC(F)(F)F)cc2c1CC#N 725318243 ANPXUEDPNNHVHC-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CC(Cc1ccccc1)=NNc1nc(-c2ccc(C)cc2)cs1 1081086891 XGVVYXVSECJPGX-UHFFFAOYSA-N 321.449 5.149 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1cc(F)ccc1F 1857937436 CSAPUPMGOCNHRN-LPYMAVHISA-N 317.379 5.203 30 10 DKEE CCCCCCCCCCNC(=O)CCOc1ccccc1C 1859577835 QTNLQWGRFHNACI-UHFFFAOYSA-N 319.489 5.021 30 10 DKEE CC(=CB1OC(C)(C)C(C)(C)O1)c1ccc(C(C)(C)C)cc1 1911601934 UKODDXYVYOYUSW-UHFFFAOYSA-N 300.251 5.019 30 10 DKEE C=CCCCCC[C@@H](N)c1c(Cl)cccc1Br 1948981973 FVLSWBKQDMXUEG-CYBMUJFWSA-N 316.670 5.239 30 10 DKEE C=CCCCCCCCC[C@@H](NC)[C@H](C)OCc1ccccc1 1995325792 OWMNVMUJEVYIGN-PZJWPPBQSA-N 317.517 5.487 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)[C@H](C)C1CC1 1995331563 NQDVCMDOQYMZNH-HXUWFJFHSA-N 313.529 6.204 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 1996710604 UILIVGZENNOBOE-RBBKRZOGSA-N 321.464 5.273 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(C)cc(Br)c2)CC1 2061179525 QHABGIIZXVZUEH-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)(Cc2cc(Cl)sc2Cl)C1 2074818608 DXAUUFZRBXQKNO-YGRLFVJLSA-N 305.270 5.383 30 10 DKEE CCCCC[C@@H](CC)Oc1ccc(C#N)c(Br)c1 2086285418 NSOLJXRUFSWBOL-CYBMUJFWSA-N 310.235 5.058 30 10 DKEE N#C[C@H](c1cccc(Br)c1)[C@@H]1CCC2(CCCC2)C1 2098998532 MFVQIVZUOIXKOR-GDBMZVCRSA-N 318.258 5.417 30 10 DKEE C[C@@H](Nc1cc(Br)cc(C#N)c1)C1(C)CCCCC1 2101374468 DOBLRYLWLBIDSB-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCCC12CC2 2117000584 JLBGDBZFMZMFNL-GUYCJALGSA-N 318.258 5.417 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1ncc(Cl)s1 2142445285 DEVZQTHHSUXZOD-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE C#CCCCCC[C@H](NC)c1cc(-c2cccs2)cs1 2164064094 CJVKPKSYBMDTJG-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE N#Cc1sc(-c2ccsc2Cl)c(-c2ccccc2)c1N 2176406470 XKZWVOLYUUEZJI-UHFFFAOYSA-N 316.838 5.251 30 10 DKEE CC#CCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203968695 BNISTUGSKWKPHO-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1c(Cl)cncc1Cl 2235523232 CRVZBMYUODMKQE-OAHLLOKOSA-N 315.288 5.566 30 10 DKEE C=CCCCCCCC[S@@](=N)(=O)Cc1ccc(Cl)cc1 2235768736 KGETTWXNIHJSMN-HXUWFJFHSA-N 313.894 5.413 30 10 DKEE CCCCCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1 2237892471 HQBIKLHVLBCJOU-KRWDZBQOSA-N 316.316 6.308 30 10 DKEE O[C@H](CCCC(F)(F)C(F)(F)F)c1cc(C(F)F)cs1 2240427630 USZDSFGIOLIXTE-SSDOTTSWSA-N 324.261 5.087 30 10 DKEE C[C@@H](N(CC=CC#CC(C)(C)C)Cc1ccccc1)C(C)(C)C 2243730175 MPOVGMHAUWWXIG-LJQANCHMSA-N 311.513 5.529 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cccc(OCc2ccccc2)c1 2244624822 UWTUWQBWVNNGLI-OAQYLSRUSA-N 309.453 5.402 30 10 DKEE CCCCCCC[C@H](NCC)c1cnc(C(C)(F)F)s1 2289247083 QJWDGZPXMLKLEE-LBPRGKRZSA-N 304.450 5.266 30 10 DKEE O=C(CC#CC1CCCC1)c1cc(-c2cccs2)cs1 2289923864 DWUZUXCCVUKXLU-UHFFFAOYSA-N 300.448 5.243 30 10 DKEE C=CCCCCC[C@@H](OCCCN)c1cc(C)c(Cl)s1 2292900496 WACHESSFWOSPRQ-CQSZACIVSA-N 315.910 5.253 30 10 DKEE CCN[C@H](C#Cc1ccccc1Cl)c1cc(C)c(Cl)s1 2295227122 RNWKIBZBSWDEHJ-CQSZACIVSA-N 324.276 5.066 30 10 DKEE C=CCCCCCC[C@@H](O)c1c(F)cc(OC)cc1Cl 2364051450 PHWAMZKUMAEULB-OAHLLOKOSA-N 300.801 5.048 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1ccc(C(F)(F)F)cc1Cl 2364082182 ARJQNKIMICFXJU-CQSZACIVSA-N 303.755 5.127 30 10 DKEE C=CCC[C@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807667 LKJQJQWPDRVJSG-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2370502638 YYEHYFVYJRDTKT-OAHLLOKOSA-N 314.300 5.425 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1sccc1C)[C@@H]1CC=C[C@H]21 14456073 JSMRUJMQBUJTLD-OGWOLHLISA-N 323.461 5.448 30 10 DKEE COc1ccc2cc(/C(C)=N\Nc3ccccc3Cl)ccc2c1 38204153 VWQDYRRKBSDQDM-BKUYFWCQSA-N 324.811 5.338 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc2c(cc1Cl)OCCO2 59419440 QOMHFDZWFAIVPA-CYBMUJFWSA-N 311.853 5.272 30 10 DKEE C=CCc1cc(-c2ccccc2)cc(C=O)c1OCCCCC 66117716 LJYJMEGOWDWPMX-UHFFFAOYSA-N 308.421 5.464 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)C[C@@H](CS)c1ccccc1 94579705 SDDLGTUFUICZLF-ZBFHGGJFSA-N 319.901 5.046 30 10 DKEE Cc1ccc(OCC2(CS)CCCCC2)c(C(C)(C)C)c1 94583438 FKKGSOFIZXNTSW-UHFFFAOYSA-N 306.515 5.552 30 10 DKEE CCCCCCC[C@H](NCC)c1cccc(C(F)(F)F)c1 109717900 WSDLLLSHEHJLMU-INIZCTEOSA-N 301.396 5.717 30 10 DKEE CCCCCCCCCC(=O)c1c[nH]c2ccc(Cl)cc12 115855447 SIKBORQYUCGMDG-UHFFFAOYSA-N 305.849 6.145 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(Cl)ccc1Cl 115856473 CDBNVIUTDLFBLB-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE C#CCNC(=O)CCCCCCCCCCCCCCCCC 116458606 JKLFYHMSOBNGEE-UHFFFAOYSA-N 321.549 5.997 30 10 DKEE CCCCCCCCC[C@H](NN)c1ccc(Cl)cc1Cl 122200037 ZESSPLZSFOLLBO-INIZCTEOSA-N 317.304 5.639 30 10 DKEE CCCCCCCCCCNc1cc(C)ccc1C(N)=S 129345616 QGSLVZADMBOXRG-UHFFFAOYSA-N 306.519 5.182 30 10 DKEE CCCCCCCC[C@H](COc1cccc(Cl)c1)NCC 140281794 NNPPBNQFKAFAQD-QGZVFWFLSA-N 311.897 5.448 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1cc(C)c(C)s1 162525409 OOEMSZPYVYYPFG-GOSISDBHSA-N 309.563 6.676 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2cccc(Cl)c2)C1 222882070 KLTKTUPWOZJSSY-CPUCHLNUSA-N 321.917 6.177 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccsc1C(F)(F)F 704319761 WXXJCFHCEZZVHG-LLVKDONJSA-N 316.735 5.097 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 712563594 KHVDRYCADJOHDK-CQSZACIVSA-N 305.771 5.495 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1 1857935913 IUKDXCRZTMOMIK-OQKWZONESA-N 309.453 5.542 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(Cl)c(Cl)s1 2038535475 FFDUXMAWEJNOGA-NSHDSACASA-N 309.306 5.310 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(Br)cc1C 2085916566 LCQFKZLPOXSEEC-INIZCTEOSA-N 311.263 5.318 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2cccc(Br)c2C)C1 2087379703 DLSQXVBETBHIMW-YOEHRIQHSA-N 323.274 5.086 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Cl)ccc1Cl 2123081075 SMECGIFHXAELPE-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2ccsc2C(F)(F)F)C1 2157671802 RRYFHUHVNMHQLT-BXUZGUMPSA-N 304.377 5.095 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1cccc(SC(F)(F)F)c1 2164078218 MILIWQZXZWLWCF-BXUZGUMPSA-N 303.393 5.161 30 10 DKEE Cc1ccc(N[C@@H](C)c2c(Cl)cccc2Cl)cc1C#N 2199334354 HWCYIQCRJWXPDY-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=C[C@H](CCCCC)OCC(=O)c1ccc(Cl)cc1Cl 2239497690 GKKNJZLVPACSOC-CYBMUJFWSA-N 315.240 5.328 30 10 DKEE C=CCCC[C@@H](N)c1c(Cl)cc(Br)cc1Cl 2243537821 FQQZBXZCTQZYIT-LLVKDONJSA-N 323.061 5.112 30 10 DKEE Cc1ccc(C)c(Sc2c(Br)cccc2C#N)c1 2257491389 DOOYOSYOZKLZRR-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE N#Cc1cc(Cl)ccc1SC[C@@H]1CCCCC1(F)F 2267997734 ZAAKOKKYZGKJNP-NSHDSACASA-N 301.789 5.129 30 10 DKEE C=C(C)CCCCC[C@H](NCC)c1cccc(Br)c1 2271796307 DTXLTGOPEXWZKH-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE N#Cc1ccc(CSC[C@H]2CCCCC2(F)F)c(Cl)c1 2283106204 DTWZIIVKJUGPAT-CYBMUJFWSA-N 315.816 5.270 30 10 DKEE C=CCCCCCCCSCC(=O)c1ccccc1Cl 2287091074 KYEHKKQPLIGFRN-UHFFFAOYSA-N 310.890 5.783 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2287469958 LPVXWOOPBNZULJ-CQSZACIVSA-N 306.755 5.529 30 10 DKEE CCCN[C@@H](CC#CC1CCCC1)c1cc(Cl)sc1C 2289840377 PMSSLFZYUAPZSK-INIZCTEOSA-N 309.906 5.334 30 10 DKEE CC[C@@](O)(CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2289924340 JKSLGJORGHEVJK-QGZVFWFLSA-N 311.252 5.175 30 10 DKEE C=CCCCCCCNCc1csc(C)c1Br 2303756285 JDWOAUWJBUZNFV-UHFFFAOYSA-N 316.308 5.045 30 10 DKEE CCCCc1ccc(C(=O)C=Cc2ccccc2OCCC)cc1 2322391260 DCZVXMZEMFJROZ-UHFFFAOYSA-N 322.448 5.714 30 10 DKEE CCCCCCCC[C@@H](O)c1c(F)cc(OC)cc1Cl 2364056484 QYUFSZUDZJTZGG-OAHLLOKOSA-N 302.817 5.272 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2 14463753 GHRFCSRKFMQJFB-NOXFTYBFSA-N 322.411 5.538 30 10 DKEE CCN1/C(=C/C=N/c2ccccc2)Sc2c1sc(C)c2C 16101885 SSGHMYFVLSBEQG-ODXRKRKHSA-N 314.479 5.541 30 10 DKEE N#CCCc1c(C(F)(F)F)nc2ccc(Cl)cc2c1Cl 75894134 WXFSTVCGSJEYSR-UHFFFAOYSA-N 319.113 5.017 30 10 DKEE CCCSc1ccc(C(=O)/C=C/c2ccccc2OC)cc1 83192717 QQKJVIDDGUTPEX-JLHYYAGUSA-N 312.434 5.093 30 10 DKEE CC(C)c1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 83193413 YSQSGLDSWIVCSO-ONNFQVAWSA-N 319.231 6.013 30 10 DKEE SCCCCCCCCCSc1ncnc2ccccc12 97800115 HMDKUOBMWDIPGW-UHFFFAOYSA-N 320.527 5.382 30 10 DKEE CCCCCC[C@@](C)(C#N)Nc1ccc(Br)cc1 110028627 LDPSSSWOFCHDJD-HNNXBMFYSA-N 309.251 5.114 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cccc(Cl)c1Cl 122214547 PMKJFCZPHXQBBK-OAHLLOKOSA-N 317.304 5.639 30 10 DKEE CCCCCCCCCCCC[C@@H](Cc1ccsc1)NC 143484848 RFRYALNDYCHRHN-IBGZPJMESA-N 309.563 6.190 30 10 DKEE CCCCCCCCC[C@H](N)c1cnc(C(F)(F)F)s1 232990335 HZDPGNPUAAKIHE-NSHDSACASA-N 308.413 5.302 30 10 DKEE Cc1cc(C(=O)C2=CCCCCCC2)sc1Br 235837428 WWUFETMCMYYIKE-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE CCC(=NO)c1ccc(OCc2cc(Cl)ccc2Cl)cc1 252662712 OHDQEODUVDICRA-UHFFFAOYSA-N 324.207 5.161 30 10 DKEE Cc1cc(Sc2ccc(Cl)cc2Cl)c(C#N)c(C)n1 322828290 YJTBJZRHWDRBJY-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C=C)/C=C\CCCCCC 380918585 VRRLBKVBZSQYFR-NHRMXYMRSA-N 307.478 5.491 30 10 DKEE C=CC[C@H](CC)N[C@@H](C)c1cc2cc(Br)ccc2o1 393773768 VWJRSIZZCGFNFY-FZMZJTMJSA-N 322.246 5.201 30 10 DKEE CCc1ccc(N=C2N[C@H](C(C)(C)C)CCS2)cc1Cl 691289941 BNQQACFKRCZRMX-AWEZNQCLSA-N 310.894 5.031 30 10 DKEE C=CC[C@@H](C)Nc1c(Cl)cc(Br)cc1Cl 715036889 AMUBEDZGCBGPQE-SSDOTTSWSA-N 309.034 5.132 30 10 DKEE C=C1CCC(C[C@@H](NC)c2ccc(Br)cc2C)CC1 724549652 PAKFBCWLWGIVQR-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1N(Cc1ccccc1)Cc1cccs1 1915384624 GXSYQJKPXQXKBZ-ICSRJNTNSA-N 324.493 5.223 30 10 DKEE C=C([C@@H](NCC)c1cc(Cl)ccc1Cl)[Si](C)(C)C 1922967473 GAPRQJLXIAIXOO-CQSZACIVSA-N 302.321 5.078 30 10 DKEE C=CCCCCC[C@H](N)c1cscc1OCc1ccccc1 1934839437 ROMIGUNREPKVTN-SFHVURJKSA-N 315.482 5.463 30 10 DKEE C=CCCCC[C@H](NC)c1c(Br)sc(C)c1C 2009485628 XILYYNONEXRWQX-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Cl)sc1Cl 2085856253 KDIPUASGRJEWKW-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE C=C(C[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl)OC 2114552837 IFGJGLUUPFEGIB-LBPRGKRZSA-N 322.663 5.238 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2cc(F)c(Cl)cc2Cl)N1 2138950340 IWWXDIWZCBZVQF-ZDUSSCGKSA-N 321.248 5.015 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1scnc1Cl 2142445789 JRQUFTGDKDMGCJ-CYBMUJFWSA-N 301.883 5.527 30 10 DKEE C[C@@H]1C[C@@](C#N)(Nc2cccc(Cl)c2)c2ccsc2S1 2152751211 XCOBEJRMYIIHKM-BMIGLBTASA-N 320.870 5.117 30 10 DKEE CCCCCCCCC[C@@H](N)c1sc(N(C)C)nc1Cl 2164035988 JNTWBGOFCKBTBN-GFCCVEGCSA-N 317.930 5.003 30 10 DKEE C#CC[C@@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2164216901 DMOCGMMQHRCZKF-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CCCCCCCCCCCCC(=O)CCP(C)(C)=O 2177196016 VOZDLTUUFMNELV-UHFFFAOYSA-N 302.439 5.879 30 10 DKEE C#C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C1CCCCC1 2203799165 VSOWFNKCAZZSLV-SJKOYZFVSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1scnc1Cl 2207396906 PBGLHYYSTPNKHQ-CQSZACIVSA-N 314.926 5.754 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)[C@@H]1CSCCS1 2207428880 CPHDYVHHFNQAPS-SJORKVTESA-N 315.592 5.120 30 10 DKEE CCCCCCC[C@H](O)c1sc(C)c(C)c1Br 2215892958 FNJYNBDQENMVOS-LBPRGKRZSA-N 319.308 5.521 30 10 DKEE C=C[C@@H](CC)OC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2239489094 FUZHZOHVQASLPI-HOTGVXAUSA-N 316.272 5.015 30 10 DKEE CCCCCCCCCCOc1cc(Cl)c(N)cc1Cl 2239511115 RUQLMZMYYHMRQC-UHFFFAOYSA-N 318.288 6.095 30 10 DKEE C=CCC[C@@H](OCCCN)c1c(Cl)ccc(Cl)c1Cl 2276615902 BPPUBANZQHXSPK-GFCCVEGCSA-N 322.663 5.020 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)CC1(C)CC1 2281272819 PHQFVXKDKOAXMT-FQEVSTJZSA-N 301.540 5.754 30 10 DKEE CCC(F)(F)CCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 2283701847 KUUALUAYZZSKPE-HZSPNIEDSA-N 303.462 5.510 30 10 DKEE CCCCCCCCC(=O)c1c(F)ccc(OC)c1Cl 2286702499 NVZUBHWVVCIUTI-UHFFFAOYSA-N 300.801 5.421 30 10 DKEE FC(F)(F)C1CC(CSC[C@H](CS)c2ccccc2)C1 2287312467 IOVUBEBOSUSMSQ-QRMWWUJWSA-N 320.445 5.022 30 10 DKEE CCCCCCCCCCNC(=O)C=Cc1ccc(F)cc1 2327320742 XRWYIDDPEWYDSK-UHFFFAOYSA-N 305.437 5.096 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2353048359 RLEYOTGRMWWTCN-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1ccc(Cl)c(Cl)c1C 2364222222 DSRZNMHALZJDEC-YVEFUNNKSA-N 314.300 5.425 30 10 DKEE CCCCCC(C)(C)/N=C(\S)c1ccc2ccccc2n1 33696711 PHFDQZONGDEBDY-UHFFFAOYSA-N 300.471 5.270 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCCC[C@@H]1C(F)(F)F 69392493 AXPWNISBRPZRNT-STQMWFEESA-N 315.404 5.498 30 10 DKEE Cc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1C(C)(C)C 83193448 XQURXCQMWPKYBF-VAWYXSNFSA-N 317.432 5.670 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2ccc(OC)c(C(C)C)c2)c1 83201589 DFPGLTIKDYXUOA-PKNBQFBNSA-N 324.420 5.113 30 10 DKEE CCCOc1ccc(Cl)cc1C(=O)/C=C/c1sccc1C 83205085 KOKZGNIABLWPGW-FNORWQNLSA-N 320.841 5.395 30 10 DKEE CC(=O)/C=C(/C)Nc1cc2cc(-c3ccccc3)n(C)c2cc1C 102781575 UCWMUGJPCADSMT-PTNGSMBKSA-N 318.420 5.058 30 10 DKEE CCCCCCCCS[C@@H](CCCC)c1ccccc1O 103013704 ZGYIDBQTZLLUJQ-IBGZPJMESA-N 308.531 6.717 30 10 DKEE CCCCCCCn1cc(CNCCC)c2cc(C)ccc21 107021201 AAKAVGHQSLEULE-UHFFFAOYSA-N 300.490 5.420 30 10 DKEE CCCCCCC[C@](C)(NC1CC1)c1nc(CC)c(C)s1 109691052 YOMANGALRWNSMB-SFHVURJKSA-N 308.535 5.342 30 10 DKEE CCCCCCCCCCCC[C@H](CSC)NCCC 109742796 LQOBYSOYDBXPHV-GOSISDBHSA-N 301.584 6.029 30 10 DKEE Cc1ccc(Oc2cc(Cl)ccc2C#N)c(Br)c1 110449870 LMIYQYAVLHSWLD-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCCCCNc1ccc(F)c(Cl)c1 160649485 YZGWBGLBWXWELN-UHFFFAOYSA-N 313.888 6.812 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2cc(F)cc(Cl)c2)CC1 161408817 VNABGHRAUJHFIC-PDOTXMHQSA-N 309.812 5.013 30 10 DKEE Cc1cc(Oc2cccc(Br)c2C#N)ccc1Cl 168622394 KAKXAMCFTFFULA-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cccc(Br)c1 233164389 NZNGHXCDFMPTEM-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE FC(F)(F)c1ccccc1N=Cc1ccc(Cl)c(Cl)c1 254423279 LSSRKTSPSCNHKB-UHFFFAOYSA-N 318.125 5.763 30 10 DKEE CCCCCCCCCC(=O)c1cc(Br)oc1C 396731161 PUUMLZHWBLGJIB-UHFFFAOYSA-N 315.251 5.674 30 10 DKEE CN(CCCCCCCCCS)C1C[C@@H]2CC[C@H](C1)S2 403692881 PTUVMBOELLUYTQ-ALOPSCKCSA-N 315.592 5.005 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cccc(NC(=O)OC(C)(C)C)c1 406338553 GFVILPAUDUBBMV-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE Cc1cccc(Br)c1Nc1ccc(Cl)cc1C#N 690328469 KWXHCKSUMJBDQM-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@]1(N)CCN(Cc2ccccc2)[C@H]1C 705155580 OUHWJDQFJCDZKA-FPOVZHCZSA-N 316.533 5.119 30 10 DKEE N#Cc1sc(-c2cscc2Cl)c(-c2ccccc2)c1N 711563682 DWLAOKXDDNHYMI-UHFFFAOYSA-N 316.838 5.251 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712609939 RCWJLIBGMHCNKF-CQSZACIVSA-N 305.771 5.366 30 10 DKEE Clc1cc(Cl)cc(C#Cc2ccc(Cl)c(Cl)c2)c1 1614731151 OYJPNAJSGTVJSL-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE C=CCCC[C@@H](C)NCc1cccc(SC(F)(F)F)c1 1912926661 UBVPZLLGSZJHTA-GFCCVEGCSA-N 303.393 5.133 30 10 DKEE CCCCCCCC(=O)c1scc(Br)c1C 1922920631 JKAAIWPCROKEPK-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)[C@H](C)C(C)(C)C 1931999085 UMQBMTWGCBJCKB-QGZVFWFLSA-N 321.574 5.659 30 10 DKEE CC[C@](C#N)(C1CCCCC1)N(CC(C)C)C(=O)OC(C)(C)C 1975998834 RIWVHKKPUMUCCM-IBGZPJMESA-N 322.493 5.132 30 10 DKEE CCCCCCCCN[C@@H]1CCCC[C@@H]1OCc1ccccc1 1977470155 XVVVEZUERRIFLM-RTWAWAEBSA-N 317.517 5.465 30 10 DKEE C=CCCC[C@H](NC)c1cc(Cl)c(C)c(Br)c1 2002241632 DYXMPFMBLRKCSK-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE C=CCCCCC[C@@](O)(CC)c1ccc(Br)cc1 2075726207 YMUGVZYLSBBKOY-INIZCTEOSA-N 311.263 5.183 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1csc(Cl)c1 2098217020 BUACXNYOAAFRRO-OAHLLOKOSA-N 302.911 6.356 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1ncc(Cl)s1 2142430192 CAUOVGCQVLRVDT-ZDUSSCGKSA-N 300.899 5.493 30 10 DKEE C=C([C@H](NCCC)[C@H]1CCCCCC1(F)F)[Si](C)(C)C 2164908319 CIPYVGZYLXHTPF-CABCVRRESA-N 303.513 5.004 30 10 DKEE CCCC(CS)(CCC)CN(C)CC[C@@H](C)C(F)(F)F 2166587966 XAGHOCGQWUYPBK-CYBMUJFWSA-N 313.473 5.023 30 10 DKEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CCCCC1 2203797397 DEJJVUAEHWEJTL-YVEFUNNKSA-N 310.268 5.226 30 10 DKEE Cc1cc(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)sc1C 2203956589 LBFQRWRMEGZNQC-CYBMUJFWSA-N 324.232 5.162 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc3sccc3s2)C1 2205529416 MCIRPUYRSKXONL-HFBAOOFYSA-N 305.468 5.106 30 10 DKEE C=CCCCCCCCCC(=O)[C@H](O)c1ccsc1Cl 2207380857 CSSIEEXGMOWANF-OAHLLOKOSA-N 314.878 5.311 30 10 DKEE Cc1cc(Cl)cc([C@H](C)Nc2cc(C#N)ccc2Cl)c1 2237995636 MBOVKRBARHLHEO-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1ccc(F)c(Cl)c1 2240619492 HRFXHPRMKQXSDU-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE CCCCC#CC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2265957292 NLSGDGBWEXIYAX-QGZVFWFLSA-N 322.290 5.156 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2c(F)cccc2Br)C1 2273937636 PBLQSSHDADNXJW-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE N#Cc1cc(F)c(Nc2c(F)cc(Cl)cc2F)cc1Cl 2281566002 SHGOUCXSXVPLFS-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE N#Cc1cccc(Br)c1Nc1cccc2ccccc12 2285182592 LYBMSFSVMDFJAM-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE C=CCCCSC[C@@H](NCCC)c1ccc(F)cc1Cl 2287078063 GPNZVMFNJZSJMS-MRXNPFEDSA-N 315.885 5.219 30 10 DKEE Cc1c(C(=O)C=Cc2ccccc2)sc2ccc(Cl)cc12 2297630982 RWQIPLRKJKIJKD-UHFFFAOYSA-N 312.821 5.759 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1occc1Br 2321115886 HVUIUNZMOXITDL-HUUCEWRRSA-N 314.267 5.075 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(C(F)(F)F)s1 2370499691 ANZSVXUEHBIQQY-KGLIPLIRSA-N 305.409 5.410 30 10 DKEE CCN[C@H](CC#CC(C)(C)C)c1cc(F)c(Cl)cc1Cl 2377323434 FDFJSUDFICUXKC-OAHLLOKOSA-N 316.247 5.223 30 10 DKEE CCCCCCCCCCc1c(C)c(O)c(OC)c(OC)c1O 30729345 FZPHMACGWIAGFA-UHFFFAOYSA-N 324.461 5.107 30 10 DKEE in-vitro CCCCCCCC(=O)c1c[nH]c2ccc(Br)cc12 59211598 REMGNCJFTQDSKD-UHFFFAOYSA-N 322.246 5.474 30 10 DKEE Cc1cccc(Cn2c(Cl)c(C#N)c3cc(C)c(C)cc32)c1 71465773 TWWYKSRIHWZKDL-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1C(C)C 83192647 YWFVJAQYHJLKSX-ZRDIBKRKSA-N 322.448 5.803 30 10 DKEE SCC1(CSc2ccc(Cl)cn2)CCCCCC1 94589689 DBTPGKIDRONHDP-UHFFFAOYSA-N 301.908 5.098 30 10 DKEE CCCCCCCOc1ccc(NCc2ccc(C)cc2)cc1 100033539 LTKHIRPYVIGEEM-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE Cc1cccc(/N=C2\c3ccccc3C(=O)[C@@H]2c2ccccc2)c1 103659455 KLCBZSTZPSWBSB-VLMSHNLISA-N 311.384 5.096 30 10 DKEE CCCCCCCC[C@H](CNCC)Cc1ccccc1Cl 110521154 VVHIKQFPYHLXJB-KRWDZBQOSA-N 309.925 5.859 30 10 DKEE CCCCCCC[C@@H](NCC)c1cccc(Br)c1 112891389 CLMIFUYZTJOGIF-MRXNPFEDSA-N 312.295 5.460 30 10 DKEE CCCCCCCCCC[C@@H](N)Cc1c(F)cccc1Cl 112898941 JLUFYIUABXHKAE-OAHLLOKOSA-N 313.888 5.880 30 10 DKEE CCCCCCCCc1nc2cc(Br)ccc2[nH]1 115063986 DHVGFYICTYMJPG-UHFFFAOYSA-N 309.251 5.228 30 10 DKEE C[C@H](N[C@@H](C)c1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 134707078 WJSFNDJCHIQKQU-QWRGUYRKSA-N 324.371 5.050 30 10 DKEE CCSc1cccc(Nc2cccc(Cl)c2Cl)c1C#N 136617435 BLECDCXASOZYSW-UHFFFAOYSA-N 323.248 5.721 30 10 DKEE CC(C)(CCC#N)CNc1ccc(SC(F)(F)F)cc1 157532281 QLNAQNRXSGRVFH-UHFFFAOYSA-N 302.365 5.040 30 10 DKEE CCCCCCCCCCCCC(=O)[C@@](C)(N)C(F)(F)F 226701733 COPXOVGJIFHBIR-OAHLLOKOSA-N 309.416 5.146 30 10 DKEE N#Cc1c(N=Cc2cc3ccccc3s2)sc2c1CCCC2 254404031 QGKFLLCWYVSFHW-UHFFFAOYSA-N 322.458 5.464 30 10 DKEE CCCC[C@H](CC)C[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 304321645 CENSNXJWGKUFMR-QFBILLFUSA-N 322.493 5.134 30 10 DKEE C=CCCCCCCNc1nc(Cl)c(Cl)cc1Cl 310631624 NJWVEUNQBBQZEL-UHFFFAOYSA-N 307.652 5.590 30 10 DKEE C=CCCCCC[C@H](NC)c1c(C)cccc1Br 381201771 CFQCUOBLUQKAEP-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE CCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698872371 FJPDDIKLFBVBKC-MRXNPFEDSA-N 308.466 5.029 30 10 DKEE C[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC1 698911874 QUWXHICELGDMTE-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CCCCCCCCC(=O)c1ccsc1Br 699043318 QCTWVULJTRQSNL-UHFFFAOYSA-N 303.265 5.444 30 10 DKEE SCCCCCCCCCOc1cccc2sccc12 705009828 NLYXTIDHPDESBO-UHFFFAOYSA-N 308.512 5.941 30 10 DKEE C/C(=N\OCc1ccccc1Cl)c1ccc(C(C)C)cc1 1857936276 DZOAYKZHCNVTMA-XSFVSMFZSA-N 301.817 5.404 30 10 DKEE C/C(=N\OCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 1857936408 KSDWMWXYHVPSPU-XQNSMLJCSA-N 319.379 5.434 30 10 DKEE CC(C)=C(CSc1ccccc1C)B1OC(C)(C)C(C)(C)O1 1901709381 NPLFINTXYYWHNY-UHFFFAOYSA-N 318.291 5.055 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)Cc2ccco2)C1 1915085950 BLHNGIWPHBRLIG-QFUCXCTJSA-N 322.452 5.000 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C(C)(C)CO 1915612061 OYTCGJAIJPDOHA-UHFFFAOYSA-N 305.506 5.010 30 10 DKEE C=CC1(CC(=O)c2sc(CC)cc2Br)CCC1 2002613275 NUEMKTRHPJSMGI-UHFFFAOYSA-N 313.260 5.002 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2csc(Br)c2)C1 2024823297 GSXSTYPMBPZGCC-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE CCCC[C@@](C=O)(CC)[C@@H](C)c1ccc(Br)cc1 2045986363 GCIKWJSSGJRPGF-XJKSGUPXSA-N 311.263 5.338 30 10 DKEE C=CCCCCCCC(=O)c1ccc(Br)cc1C 2085849204 IVYNBUQZGAWOJG-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE Cc1ccnc(C#N)c1Oc1cc(Cl)c(Cl)cc1Cl 2097131066 SNDVGMDIGKNUQY-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(Cl)cc1CO 2142001739 JUDZPXKNYPDHMS-UHFFFAOYSA-N 303.229 5.001 30 10 DKEE C=CCCCCCCCCC(=O)c1cc(Cl)c(Cl)s1 2142391469 CHQWEXVPWVBCCX-UHFFFAOYSA-N 319.297 6.544 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1cc(Cl)ns1 2142448834 SRDBSONYOUHXRP-ZDUSSCGKSA-N 300.899 5.493 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1cc(Cl)cs1 2154630838 RLTIHMBDAKDHGA-INIZCTEOSA-N 315.954 6.712 30 10 DKEE C=CCC[C@@H](C)[C@@H](CSc1ccc(Cl)cc1)NCCC 2158319241 BAJDPCAETGXTRF-RHSMWYFYSA-N 311.922 5.403 30 10 DKEE C[C@@H](Nc1cc(Cl)c(C#N)cc1F)c1ccc(Cl)cc1 2177382221 XSCQNOHFROFJOH-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1c(Cl)cccc1Cl 2206901779 DYHDNRKNMLNYSI-MRXNPFEDSA-N 314.300 6.171 30 10 DKEE CCCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CC1 2212659909 JEBAIIHBQJIZRI-IBGZPJMESA-N 322.493 5.419 30 10 DKEE C[C@@H](CCS)CCSc1ccc(OC(F)(F)F)cc1 2227644159 WJZIBLBMUPYNMW-JTQLQIEISA-N 310.406 5.023 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ncc(Cl)cc1F 2234121209 MCCKFMZLGLEAME-OAHLLOKOSA-N 301.833 5.438 30 10 DKEE C=C(C)CCCC[C@](C)(N)c1ccc(C)c(Br)c1 2259213899 ZPTXVVMOFJEHKO-INIZCTEOSA-N 310.279 5.068 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccc(F)c(Cl)c1F 2280438642 FURWEWFRJKJXLO-INIZCTEOSA-N 303.824 5.543 30 10 DKEE CC(C)(C)C#CC=CCC(=O)Cc1cc(Cl)cc(Cl)c1 2284082326 UJBOFFOMCCLMCY-UHFFFAOYSA-N 309.236 5.101 30 10 DKEE C=CCCCCCCCSc1c(CO)ccc(F)c1F 2287180510 CMVKEIULRHLZIL-UHFFFAOYSA-N 300.414 5.076 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)cc1Br 2304078657 MRNDOZHDAINSSY-AWEZNQCLSA-N 315.638 5.278 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2323302899 KVIFSLHXQSYFJY-UHFFFAOYSA-N 320.432 5.463 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2349909877 RKLXTLRKOFNOSU-OAHLLOKOSA-N 307.236 5.917 30 10 DKEE CCCCCCCCCCCc1nc(-c2ccncc2)no1 3584751 JUXWJKTWKZKURO-UHFFFAOYSA-N 301.434 5.205 30 10 DKEE N#Cc1sc(-c2cccc(Cl)c2)c(-c2ccccc2)c1N 44273940 BFXTXUCVGKQSNF-UHFFFAOYSA-N 310.809 5.189 30 10 DKEE N#Cc1cc(N[C@@H](c2cccs2)C2CCCC2)ccc1F 51636105 XKPCKNQDCTZHPF-QGZVFWFLSA-N 300.402 5.102 30 10 DKEE Cc1cc2nc(-c3ccc(Cl)cc3)n(C[C@H](C)C#N)c2cc1C 57801991 AOMXDUKJVZIPAU-GFCCVEGCSA-N 323.827 5.133 30 10 DKEE CCCCCCCCNCCc1ccc(Cl)cc1Cl 59055371 OIMYBVDZPIORBY-UHFFFAOYSA-N 302.289 5.486 30 10 DKEE O=C(/C=C/c1cccs1)c1ccc(Cc2ccccc2)cc1 83193389 BKQFQGPMXKXHHF-OUKQBFOZSA-N 304.414 5.235 30 10 DKEE CC(C)N(Cc1cccs1)CC1(CS)CCCCCC1 94580890 XGFKICXLJXWLGR-UHFFFAOYSA-N 311.560 5.229 30 10 DKEE CCc1ccc(OCC(CC)(CC)CS)c(C(C)(C)C)c1 94582377 GEZWBVXEJWTETQ-UHFFFAOYSA-N 308.531 5.662 30 10 DKEE CCCCCCCCCCCCCCc1ccc([N+]#N)cc1 106491020 SEJZQDKXRXYZBQ-UHFFFAOYSA-N 301.498 7.415 30 10 DKEE CCCCCCCCCC[C@@H](O)c1snnc1C(C)(C)C 135559547 QNQDZLHSBVFZKF-CQSZACIVSA-N 312.523 5.400 30 10 DKEE CCSc1cccc(Nc2cc(Cl)ccc2Cl)c1C#N 136604871 GZVRDCVASFXXMF-UHFFFAOYSA-N 323.248 5.721 30 10 DKEE CCCC[C@H](CCC)Nc1ccc(C#N)cc1Br 226033252 QWLVDMMJDUGKPI-ZDUSSCGKSA-N 309.251 5.092 30 10 DKEE C=CCC[C@H](C)Nc1c(Cl)cc(Cl)c2c1N=S=N2 228823312 LTVCRCGLALMKCO-ZETCQYMHSA-N 302.230 5.486 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccoc1Br 232923284 AFYVODRQTDKMDU-CYBMUJFWSA-N 302.256 5.183 30 10 DKEE Fc1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1 254790070 BZXCVGLWCINPCC-UHFFFAOYSA-N 305.352 5.155 30 10 DKEE CCCCCCOc1ccc(C=Nc2ccc(CC)cc2)cc1 256961117 YOHYLRXYXRBXOP-UHFFFAOYSA-N 309.453 5.959 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 310376900 ZVWATQPPEKSFBQ-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1csc(Cl)c1 378999312 XLONTRJASUADQG-INIZCTEOSA-N 315.954 6.583 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1csc(Cl)c1 380944161 YTMRDDXVRNCUGM-INIZCTEOSA-N 315.954 6.583 30 10 DKEE CCCCCCC[C@H](O)c1c(F)ccc(F)c1Br 403130781 AGXZBTVYBPRMBH-LBPRGKRZSA-N 321.205 5.121 30 10 DKEE Cc1ccc(Br)c(Oc2cccc(Cl)c2C#N)c1 699829314 QBRVSOQRTHPVCZ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC/C(=N\OCc1ccccc1Cl)c1ccc(CC)cc1 821218497 UOUDKZKECRUSCQ-CZIZESTLSA-N 301.817 5.233 30 10 DKEE C/C(=C\C(=O)c1cc2ccccc2o1)c1cc2ccccc2o1 1088718327 GHKAVZBXUQWZOZ-JLHYYAGUSA-N 302.329 5.465 30 10 DKEE C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@H]1C 1860024905 AFNJEJDRLKMWAF-VQIMIIECSA-N 313.485 5.191 30 10 DKEE CCCCCCCCC(=O)Nc1ncc(-c2ccccc2)s1 1866090528 VDXQCPDIBGCWJZ-UHFFFAOYSA-N 316.470 5.499 30 10 DKEE C=CCCCCC[C@H](NCC)C1CC(OCc2ccccc2)C1 1976703637 IMTQMIUWOCMFSX-CBNMVNINSA-N 315.501 5.096 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1csc(Br)c1 1996468903 FSHAUJVAYRUCQF-FZMZJTMJSA-N 316.308 5.154 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccsc1Br 1996479362 WHZWRSBHCUYRGB-AAEUAGOBSA-N 316.308 5.154 30 10 DKEE C=C([C@H](N)c1cc(Cl)c(C)c(Br)c1)C(C)(C)C 2002243268 YGJJGYWJWYEYOC-ZDUSSCGKSA-N 316.670 5.013 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2csc(Br)c2)C1 2024823300 GSXSTYPMBPZGCC-CQSZACIVSA-N 312.276 5.163 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(C)c(Br)c1C 2045806931 RUGIGFSCJAUZLD-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1nc(Cl)cs1 2142430790 HMTWNLLYIIHDSG-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE C=CCCCCCCNCc1csc(-c2cccs2)n1 2144694588 KWLDGLOVQMYGOW-UHFFFAOYSA-N 306.500 5.098 30 10 DKEE C=CCCC[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 2173116051 QRYABYQAIDMTHD-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE CCCCCCCCCCN(CC(F)F)CC(F)(F)F 2195683243 XTZXFHMSJPFXQN-UHFFFAOYSA-N 303.359 5.257 30 10 DKEE CCCCCCCC[C@@](C)(N)c1sccc1Br 2217292987 NNRANNIULSREAI-CQSZACIVSA-N 318.324 5.435 30 10 DKEE C=CCCCCCCC[C@H](N)c1cccc(C)c1Br 2227291028 NBCVMXDEVFSQPZ-INIZCTEOSA-N 324.306 5.674 30 10 DKEE N#Cc1sc(SCCCCCCCC2CC2)nc1Cl 2230871357 RMUVHGGNTVNVJY-UHFFFAOYSA-N 314.907 5.511 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1cccc(Cl)c1Cl 2235523503 GNYUTRJBJYFYTP-KRWDZBQOSA-N 314.300 6.084 30 10 DKEE C=CCCCCCCC[C@@H](O)Cc1cc(Cl)ccc1Cl 2235539018 MSMJAOMAOQMYPH-MRXNPFEDSA-N 315.284 5.814 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cc2sccc2s1 2235540156 UHVWCSQAXLVWOP-ZDUSSCGKSA-N 308.516 5.384 30 10 DKEE FC(F)(F)C1CC(CSCC2(CS)CCCCC2)C1 2271691571 GOJCLYCNDGMUHE-UHFFFAOYSA-N 312.466 5.188 30 10 DKEE CCCCCCCCC[C@](C)(N)c1sc(Cl)nc1Cl 2278180162 HWZYKSLLCIROHU-AWEZNQCLSA-N 323.333 5.765 30 10 DKEE C=CCCCCCCCSc1nc2cc(N)ccc2s1 2287180102 AEAJBQKUWSJDNG-UHFFFAOYSA-N 306.500 5.497 30 10 DKEE CCCCCCCC[C@@](C)(OCCN)c1ccsc1Cl 2293709133 PWIPXSCZJCBPBS-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE CCOc1ccc(C(=O)C=CNc2ccc(C(C)C)cc2)cc1 2296875780 FNBQUHUUHSRNEV-UHFFFAOYSA-N 309.409 5.017 30 10 DKEE C=CCC(CC=C)Nc1cc(Cl)c(Br)cc1F 2301019560 NIDROEQIJHKAOF-UHFFFAOYSA-N 318.617 5.174 30 10 DKEE CCOc1ccc(C=CC(=O)c2cccc(Cl)c2)cc1Cl 2323766219 NWNUTFJYQDTOJI-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=CCC(CC=C)[C@H](N)c1cc(Br)cc(C(C)C)c1 2338679172 XFUDHEXPLGRGKW-KRWDZBQOSA-N 322.290 5.341 30 10 DKEE Cc1c([C@H](N)CC=CC#CC(C)(C)C)ccc(Cl)c1Cl 2364409738 WVHZFMYPDXKGIY-OAHLLOKOSA-N 310.268 5.297 30 10 DKEE Clc1ccc(/N=C2/NC3(CCCCC3)CS2)cc1Cl 53097640 HZUKSUHHDIRODQ-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE CCC1CCC(C#N)(Cc2sccc2Br)CC1 87933705 CLRDIABALJUPGZ-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE C[C@@H](c1ccc(Cl)cc1)N(C)CC1(CS)CCCCC1 94579672 PRTRFUBHVGRBQV-AWEZNQCLSA-N 311.922 5.213 30 10 DKEE CCCCCCCOc1ccc(CNCc2cccs2)cc1 100032511 RDGLPJPUCFEJMG-UHFFFAOYSA-N 317.498 5.387 30 10 DKEE CCCCCCCCCCNC(=O)/C=C/c1ccc(F)cc1 108833125 XRWYIDDPEWYDSK-NTCAYCPXSA-N 305.437 5.096 30 10 DKEE CCCCCCCCC[C@@H](Cc1cccc(Cl)c1)C(=O)O 109672949 FMCHZCZKQMOUHG-INIZCTEOSA-N 310.865 5.724 30 10 DKEE CCCCCCCCC(=O)[C@@H](C#N)c1c(F)cccc1Cl 115858028 AAYZDPIOPKKGHP-CYBMUJFWSA-N 309.812 5.406 30 10 DKEE CCCCCCCCCCCC(=O)c1ccc(N)c(Cl)c1 115862791 FEWUHABVXSOMTD-UHFFFAOYSA-N 309.881 6.026 30 10 DKEE CCCCCCCC[C@@H](Cc1ccncc1Cl)NCCC 123608650 BJPISVWWDADUIZ-KRWDZBQOSA-N 310.913 5.396 30 10 DKEE CCCCCCCCCC[C@@H](O)COc1cccc(Cl)c1 135556951 GPQXEMVRGSPCGX-QGZVFWFLSA-N 312.881 5.611 30 10 DKEE CCCCCCCCCC[C@H](N)COc1cccc(Cl)c1 143405188 AJRIVWISVIXBQS-KRWDZBQOSA-N 311.897 5.577 30 10 DKEE CCCCCCCCCC[C@H](O)[C@H]1SCCS[C@H]1CC 162141451 AWNRFSGRGGEGPO-YESZJQIVSA-N 318.592 5.505 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ccc(Cl)cc1OC 162352576 WJLSXEAWTDXJER-QGZVFWFLSA-N 311.897 5.879 30 10 DKEE CCCCCCCCNc1cc(C)nc(-c2ccc(C)cc2)n1 202459941 FUOUTRRDQSGARY-UHFFFAOYSA-N 311.473 5.533 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C=C)[Si](C)(C)C(C)(C)C 238127276 YITXYSRBIYBDIE-AWEZNQCLSA-N 311.542 5.012 30 10 DKEE O=[N+]([O-])c1ccc(/C=N\[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 254483263 AGNSXOBSVWJNTP-GGLWMIRMSA-N 324.424 5.073 30 10 DKEE CCCCCCCCN[C@H]1CCCCCCCCCCC1=NO 254758193 GNHSYOMPXQABJU-IBGZPJMESA-N 324.553 6.050 30 10 DKEE Cc1cc(Oc2ccc(C#N)cc2)c(C)c(C)c1Br 312092867 CSYXVTOGEBAKNU-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CC(C)C1CCC(C=O)(Cc2ccc(Cl)c(Cl)c2)CC1 316822215 KMKDQBHEHRCFBH-UHFFFAOYSA-N 313.268 5.567 30 10 DKEE CCCCCCCCOC(=O)c1cc(Cl)c(Cl)nc1C 381373031 JFBDNBKVQIBWTB-UHFFFAOYSA-N 318.244 5.214 30 10 DKEE CCCC(CS)(CCC)CN1CCC[C@@H](SC(C)C)C1 383090831 VTFOGNUPRRVGJS-MRXNPFEDSA-N 317.608 5.109 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)C[C@H](CS)c1ccccc1 395707818 OREMMRFNJKZNPJ-YLJYHZDGSA-N 313.510 5.001 30 10 DKEE Fc1cccc(-c2cccc(C(F)F)c2C(F)(F)F)c1F 514253759 NDYJIAYEOQORDS-UHFFFAOYSA-N 308.196 5.588 30 10 DKEE N#C[C@H](C(=O)c1cc2cscc2s1)c1ccccc1Cl 694330969 KGBZUKGOXBOFJG-NSHDSACASA-N 317.822 5.106 30 10 DKEE C=C1C[C@H]2CC(Nc3cccc(C)c3Br)C[C@@H](C1)C2 697305530 YMHIJXUMUYNUSA-YIONKMFJSA-N 320.274 5.304 30 10 DKEE C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1)C(C)(C)C 698442099 DCBIDMNCKJKVEE-ZBFHGGJFSA-N 316.445 5.002 30 10 DKEE CCCCCCCC[C@H](O)c1ccsc1Br 698572478 ALSWJGPHSXQNKU-LBPRGKRZSA-N 305.281 5.295 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](CC(C)C)C1 698964150 KUQAGOQNZXFBQJ-VQIMIIECSA-N 322.493 5.132 30 10 DKEE CCCCCCCCCC[C@](C)(N)COCc1ccccc1 707760986 FGLDZVVJLUHFCE-FQEVSTJZSA-N 305.506 5.451 30 10 DKEE C=C1CCC(CC(=O)c2ccc(Br)c(C)c2)CC1 724582817 JKOANVABOVRUSR-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C[C@H]1CCCC/C1=N\OCC(=O)c1ccc(-c2ccccc2)cc1 1860467984 RSHGCPRPGZHSKA-JDAKFOBDSA-N 321.420 5.119 30 10 DKEE C=CCC[C@@H](O)c1ccc(-c2cccc(Br)c2)s1 1919670700 ZCJZIJGRNNSYOP-CYBMUJFWSA-N 323.255 5.177 30 10 DKEE C=C([C@H](NCC)c1ccc(Cl)c(Cl)c1)[Si](C)(C)C 1922967228 CZTSHNFFNNGJRV-AWEZNQCLSA-N 302.321 5.078 30 10 DKEE C=C(C)CCCN[C@H]1CCC(C)(C)C[C@H]1OCc1ccccc1 1977490736 VWOFSWWABIFQNY-VQTJNVASSA-N 315.501 5.096 30 10 DKEE CCCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 1995348847 DTJBOZYUNTWSFF-IRXDYDNUSA-N 324.509 5.665 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)cc2Br)CCCC12CC2 2053369755 BDIMDASEYIQBDX-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE Cc1cc(C)cc([C@@H](C)n2nc(C3CCCCC3)cc2C#N)c1 2070112875 UYZXDMFXGDWJOI-MRXNPFEDSA-N 307.441 5.029 30 10 DKEE N#C[C@]1(Cc2cc(Cl)sc2Cl)CCCC(F)(F)C1 2074835282 NYEGVGZRJZNXCC-NSHDSACASA-N 310.196 5.317 30 10 DKEE C=C([C@@H](NCCC)c1ccc(C)c(Br)c1)C(C)(C)C 2096621275 MKZUDDMYHLMGSX-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1cc(Cl)c(Cl)s1 2098757281 HXSZLBNZHPFFLQ-DGCLKSJQSA-N 324.317 5.166 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Cl)cc(Cl)c1 2141915005 XGOHDPPJWOGAHG-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](Cc1cccs1)c1cccs1 2152863590 FDEVETTWKBBUDU-GOEBONIOSA-N 305.512 5.428 30 10 DKEE CCCCCCCCCCCCOC[C@@H](SC)[C@H](C)N 2176253861 DMZBBYARKVLOPT-DLBZAZTESA-N 303.556 5.003 30 10 DKEE C=C[C@@H](N[C@@H](Cc1cccs1)c1cccs1)C1CCC1 2197829242 IKCPUMOFBNJMCV-CVEARBPZSA-N 303.496 5.038 30 10 DKEE C=CCCCCCC[C@H](NCCC)[C@H]1SCCS[C@H]1C 2206897339 AYGXVJUUQILXAA-ULQDDVLXSA-N 315.592 5.118 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1nc(Cl)cc2ccccc12 2212547282 YMGYHPWXWFWZTC-UHFFFAOYSA-N 322.839 5.471 30 10 DKEE C=CCCCCCCCN[C@H](C)c1ccc(Br)cc1 2227269817 BZHLUOFSENTBTB-OAHLLOKOSA-N 324.306 5.626 30 10 DKEE OC1(C#Cc2cc(Cl)cc(Cl)c2Cl)CCCCCC1 2227314816 XMZNQIJKIXISHZ-UHFFFAOYSA-N 317.643 5.084 30 10 DKEE CCCCCCCCCCCCNCCC#CBr 2258949007 FZYQTXBSSOMDGY-UHFFFAOYSA-N 316.327 5.243 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](SCC2CC(C(F)(F)F)C2)C1 2287328164 HFDNJOKVMHJPOU-NXHHDGQJSA-N 305.409 5.027 30 10 DKEE C=C([C@@H](OCCCN)c1c(Cl)cccc1Cl)C(C)(C)C 2294250837 DVVKVSPHSXFXQD-OAHLLOKOSA-N 316.272 5.002 30 10 DKEE C=CCCCCCCC[S@](=N)(=O)C[C@@H](CC)CCCC 2295699459 KIGKSFLOZNATBV-PXNSSMCTSA-N 301.540 5.776 30 10 DKEE C=CC[C@H](C)SCc1cc2ccc(OC)cc2nc1Cl 2360349113 DRTGYRPWYNUWSX-NSHDSACASA-N 307.846 5.095 30 10 DKEE CCc1cscc1N=C1NC2(CCCCCCC2)CS1 2367688627 FZBWVKYQRRFLFB-UHFFFAOYSA-N 308.516 5.118 30 10 DKEE C/C(=N\Nc1ccc(F)c(Cl)c1)c1ccc2ccccc2c1 4587140 RDWNJLHSALRSSP-CIAFOILYSA-N 312.775 5.468 30 10 DKEE Cc1ccn2c([C@@H](C)C#N)c(-c3ccc(C(C)C)cc3)nc2c1 31915878 RJYPJCWKMVNXCO-HNNXBMFYSA-N 303.409 5.060 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CSCc2ccccc21 37766668 VICRXSMVGHWHGD-QGZVFWFLSA-N 313.491 5.365 30 10 DKEE CCCCCCCCS[C@H](c1ccccc1)N1CCCC1 103013688 CNDZWGVJOLZIAA-LJQANCHMSA-N 305.531 5.875 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccc(Br)cc1 109712426 UHNWUFYUTZRAKD-MRXNPFEDSA-N 313.279 5.103 30 10 DKEE CCCCCCCCNc1cc(OC)ccc1Br 115123554 BVEHDEHOIQMLNI-UHFFFAOYSA-N 314.267 5.230 30 10 DKEE CCCCCCCCC[C@@H](CSc1cccc(C)c1)NN 126953234 BGHYSRKITCUCLA-KRWDZBQOSA-N 308.535 5.060 30 10 DKEE CCCCCCCCCC[C@H](O)c1ncc(Cl)cc1Cl 128419495 CRFWQABPYZYGME-HNNXBMFYSA-N 318.288 5.953 30 10 DKEE N#Cc1ccc(Cl)c(N[C@H]2CCCc3sc(Cl)cc32)c1 128583267 USYOHWKJKBEELN-LBPRGKRZSA-N 323.248 5.416 30 10 DKEE CCCCCCCCOc1cc(C)c(Br)c(C)c1 137538587 ZCRMBFUWIQGCNW-UHFFFAOYSA-N 313.279 5.805 30 10 DKEE CCCCCCCC[C@H](NC)[C@@H](C)Oc1cccc(Cl)c1 140313738 AGOKIMKLAVUNSY-QAPCUYQASA-N 311.897 5.446 30 10 DKEE N#CC1([C@@H](O)c2cccc(Cl)c2Cl)CCCCCCC1 156803521 XAOLTWVEJOQMBJ-HNNXBMFYSA-N 312.240 5.281 30 10 DKEE CCc1ccccc1C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 161931835 NDQATJPCARLRSZ-CYBMUJFWSA-N 318.203 5.046 30 10 DKEE CCCCCCCCNc1ccccc1NC(=O)OC(C)(C)C 227592677 HCTWHQUGGMLUIS-UHFFFAOYSA-N 320.477 5.806 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H]1SCCS[C@@H]1CC 228160731 JWOGSPSSWUTRKZ-GVDBMIGSSA-N 317.608 5.342 30 10 DKEE Cc1ccc(Nc2cc(Br)ccc2Cl)c(C#N)c1 235903753 OXXOZMYTZXMCON-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE COc1cccc(N=Cc2c3ccccc3cc3ccccc23)c1 254813956 PIZCGTWWUXHKQT-UHFFFAOYSA-N 311.384 5.752 30 10 DKEE CCc1c(/C(C)=C/B2OC(C)(C)C(C)(C)O2)oc2ccccc12 307209195 AUKKRCITSLYMQQ-OUKQBFOZSA-N 312.218 5.030 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(Cl)cc(Cl)c2)C1 381016528 VFAYERVKOOBVQL-ISTVAULSSA-N 300.254 5.414 30 10 DKEE CC[C@H](C)CC(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405909475 FOBQQYNFGMMLMF-TZIYXEQSSA-N 317.429 5.052 30 10 DKEE CCCCCCCCC[C@H](Cc1scnc1Cl)NCC 722009646 FEOZCCWDKUNPSB-CQSZACIVSA-N 316.942 5.458 30 10 DKEE C=C1CCC(C[C@H](O)c2ccc(OCc3ccccc3)cc2)CC1 724571528 RPKDVGSJTZOSRG-QFIPXVFZSA-N 322.448 5.436 30 10 DKEE Clc1cc(Cl)c(N=Cc2c[nH]c3ccccc23)cc1Cl 1084210841 UPRIDHFNTWUOJQ-UHFFFAOYSA-N 323.610 5.879 30 10 DKEE CCCCCCCCCCNC(=O)c1cccc2ncsc12 1866042711 OFNOUCUIAITAGA-UHFFFAOYSA-N 318.486 5.167 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCCCCCC)NCC 1922054622 LGUFLJQMKXRHGR-FQEVSTJZSA-N 303.490 5.098 30 10 DKEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C1CCCC1 1932027613 PPJINRPMMPWYCT-UHFFFAOYSA-N 310.828 5.161 30 10 DKEE C=C(CC)C[C@@H](NCC)c1c(Br)sc(C)c1C 1951107063 DUOQXTRWRUVOOH-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCCC[C@@H](N)C1CC(OCc2ccccc2)C1 1958677932 CGZYRUYQUVNNFY-SOAGJPPSSA-N 303.490 5.060 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1cc(Br)c(Cl)s1 1978520484 UJZIBMBVYIFRAM-GZMMTYOYSA-N 322.699 5.027 30 10 DKEE C=CCCCCOc1ccc(Br)c(C(F)(F)F)c1 2059123025 GPOZNWQEBITTLG-UHFFFAOYSA-N 323.152 5.203 30 10 DKEE CC1([C@@](C)(C#N)Nc2cccc(Br)c2)CCCCC1 2101389785 MBJJJHBPBPAHMM-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE N#CC1(Cc2c(Cl)cccc2Cl)CCC(F)(F)CC1 2128466425 DIBJSGYRCUHIEP-UHFFFAOYSA-N 304.167 5.255 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1sccc1Cl 2142404626 OFDBHOBEGYCEFF-AWEZNQCLSA-N 300.899 5.213 30 10 DKEE C[C@H](NCC#CC1CCCCC1)c1ccc(Cl)cc1Cl 2149859083 VBAUJUNISRCBRY-ZDUSSCGKSA-N 310.268 5.228 30 10 DKEE Cc1sc(Cl)cc1[C@H](O)[C@@]1(C#N)CCCC(C)(C)CC1 2157110876 BFAXHRSKNWDZRL-HOCLYGCPSA-N 311.878 5.244 30 10 DKEE O=C(C1=CCC(F)(F)CC1)c1cc(-c2cccs2)cs1 2163963687 KWBVFAXGFKCPOO-UHFFFAOYSA-N 310.390 5.405 30 10 DKEE C=C([C@@H](NCCC)c1c(F)ccc(Cl)c1F)C(C)(C)C 2164207145 RDVKJDJAKKAMNQ-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE CCCCCCCCCCCCCc1o[nH]c(=N)c1Cl 2177834383 BKXWZODRBQNBSJ-UHFFFAOYSA-N 300.874 5.594 30 10 DKEE N#C[C@@]1(Cc2cc(C(F)(F)F)cs2)CCCC(F)(F)C1 2184848596 KLVHXKUGBPXQMA-LLVKDONJSA-N 309.303 5.029 30 10 DKEE CCCC#CC[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2203779163 QNTSYADHJCEKNU-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(C)c(Br)c1 2227286234 HMMXOXFEGRPVNS-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Cl)c(F)cc1OC 2234372190 FDSTVDUAECRAJD-INIZCTEOSA-N 302.817 5.056 30 10 DKEE Cc1ccc(C#N)c(Sc2ccc(Br)cc2C)c1 2256882540 LOAJONHIITWXFI-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCC[C@@](C)(O)c1c(F)ccc(OC)c1Cl 2286708192 LMIBJDJHLYVKAN-MRXNPFEDSA-N 302.817 5.056 30 10 DKEE C=CCCCCCCCSc1ccsc1CNC(C)C 2287078866 QZLMPWQTVHYTQX-UHFFFAOYSA-N 311.560 5.865 30 10 DKEE C=CCCCSc1c([C@@H](C)NCCC)ccc(Cl)c1F 2287189849 RMIXPADAIMZEPQ-GFCCVEGCSA-N 315.885 5.598 30 10 DKEE CC[C@](N)(C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2289705969 OFYIBFUQJVFKRX-KRWDZBQOSA-N 310.268 5.141 30 10 DKEE C=CC[C@H](C)Oc1c(Cl)cc(CN[C@@H](C)CC)cc1Cl 2296254030 SBHIUAYRCMUJFM-RYUDHWBXSA-N 316.272 5.225 30 10 DKEE C=CC(C)=CC[C@H]1C(=C)CC[C@H]2[C@](C)(C(=O)O)CCC[C@]12C 2296604003 YGBZFOQXPOGACY-ONCXSQPRSA-N 302.458 5.372 30 10 DKEE CCC(=NOCc1cccc2ccccc12)c1ccc(C)c(C)c1 2330246359 VGLLHCSXYYFHJW-UHFFFAOYSA-N 317.432 5.788 30 10 DKEE N#C[C@@H](NC1CCCCC1)c1c(Cl)ccc(Cl)c1Cl 2339179469 NHKKZRRWHLXXFU-GFCCVEGCSA-N 317.647 5.134 30 10 DKEE CCCC[C@](C)(C#N)CCc1ccc(OC)cc1Br 2339422856 XNTAQWOUVBZBFJ-INIZCTEOSA-N 324.262 5.110 30 10 DKEE C=CCCCCCN(C)Cc1cc(F)c(Cl)cc1Cl 2349889559 XYZOKEDCXOKFPH-UHFFFAOYSA-N 304.236 5.311 30 10 DKEE Cc1cc(C(=O)/C=C/c2cccs2)c(C)cc1OC(C)C 83193676 PTJNQHRBHISFKI-BQYQJAHWSA-N 300.423 5.048 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)c2ccccc12 83204517 SLIONLGAPKXZFC-UKTHLTGXSA-N 320.363 5.274 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)ccc2Cl)CCc2ccccc2C1 87998324 PKEMOZGKHAHRRB-SFHVURJKSA-N 316.231 5.235 30 10 DKEE CCCCCCCCCn1c(C(C)(C)O)nc2ccccc21 101904456 ONPORXZCYGRYSQ-UHFFFAOYSA-N 302.462 5.014 30 10 DKEE Cc1ccc(N/C=C2\CCC/C(=C/c3ccccc3)C2=O)c(C)c1 102939820 IDDDKDIIOSEAKA-FANOUHKGSA-N 317.432 5.436 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccc(F)cc1Cl 109744686 WUYRAMZZWBSUQX-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1cccc(Cl)c1 127362967 DEEVPMSDQMHWAA-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H]1Cc2ccccc2S1 143406233 ICBIUQLEJASHFF-IEBWSBKVSA-N 305.531 5.562 30 10 DKEE CCCCCCCCNc1ccc([N+](=O)[O-])cc1C(F)F 159386751 VSDLTJZLUOXCCN-UHFFFAOYSA-N 300.349 5.305 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Br)c(C)s1 227753564 XZQVCNVEIKIPDJ-CYBMUJFWSA-N 319.308 5.603 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1nc(C)c(C)s1 228885578 WGDBALBWKLVBOT-KRWDZBQOSA-N 310.551 5.551 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)cc1Cl 235567187 OPBLYZOGHOSFTB-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250824728 MWUFUOPEYKSIEN-MUGJNUQGSA-N 321.549 5.848 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Cl)c(C)c1F 383961394 CEIRRWHRLDWCHI-INIZCTEOSA-N 300.845 5.962 30 10 DKEE Clc1ccc(N=C2NC3(CCCC3)CCS2)cc1Cl 687318295 GSWUQPRFYDDZLU-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE CC[C@H](C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698858292 MQKNJMJKOSTUNR-YOEHRIQHSA-N 316.445 5.065 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)CCC1CCCCC1 712366901 PZQKDAPYCAEFPX-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE CC#CCCCCNc1ccc2cc(Br)ccc2c1 1885245419 TXCQIMKGZKKCNG-UHFFFAOYSA-N 316.242 5.208 30 10 DKEE C=C([C@@H](NC)c1c(Cl)cccc1C(F)(F)F)[Si](C)(C)C 1923044097 GFWGAQXXIFGXPC-CYBMUJFWSA-N 321.846 5.053 30 10 DKEE C=CCCCCCCC(=O)c1cc(C)sc1Br 2026012952 RZFAEABEOCETTP-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1cccc(Cl)c1Cl 2148590784 VSZZLUPMUMPPBR-ZBFHGGJFSA-N 318.288 5.105 30 10 DKEE C#Cc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)cc1 2177232764 WKLOQDBDIHCSSG-SNVBAGLBSA-N 324.638 5.801 30 10 DKEE C=CCCCC[C@H](NCCC)c1cscc1C(F)(F)F 2179681780 NBNDWXMTBMCKRO-AWEZNQCLSA-N 305.409 5.554 30 10 DKEE C=CCCCCCC[C@@H](CSc1cccc(Cl)c1)NC 2206899122 KKQASJBLHOIUTA-INIZCTEOSA-N 311.922 5.547 30 10 DKEE C=CCCCCCCCNc1ccc(Br)c(F)c1 2220094588 WNKCFDGJIJYGOX-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE C=CCCCCCCCNCc1c(Cl)cccc1Cl 2227278801 CVHGFFWGXKDBFU-UHFFFAOYSA-N 300.273 5.610 30 10 DKEE CCCc1ccc(C#CC(=O)c2scc(Cl)c2Cl)cc1 2239725095 JXAGJLGRDSMREN-UHFFFAOYSA-N 323.244 5.242 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1cccc(Cl)c1F 2240621431 HXAKTVHXODHWIN-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE CCCCCCCCC[C@@H](C)N(CC(=O)O)Cc1ccccc1 2246057625 YENQEDQOUHQVCB-GOSISDBHSA-N 319.489 5.102 30 10 DKEE C=C(C)CCCCC[C@@H](NC)c1ccc(Br)cc1 2259231302 HYMBLMMJWQATOL-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=C(C)CCCC[C@](C)(OCCCN)c1csc(Cl)c1 2293894571 BHAAMRVLWQZTIK-INIZCTEOSA-N 315.910 5.119 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1ccsc1Cl 2295677751 DNUPAOLGJKDTFD-GDBMZVCRSA-N 317.926 5.293 30 10 DKEE O=C(C=Cc1ccc(F)cc1)c1ccc(Cl)c2ccccc12 2295967973 QBUJCCUMONJOOP-UHFFFAOYSA-N 310.755 5.528 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccc(C(F)(F)F)cc2)c(C)c1 2297534946 JZQQDMYFLGTZCJ-UHFFFAOYSA-N 319.326 5.131 30 10 DKEE C=CCC(CC=C)S[C@H](c1ccc(Cl)s1)[C@H](N)CC 2335196312 DTRXLJVPOIRUTH-DOMZBBRYSA-N 315.935 5.434 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2344338575 ANXQDPUDVJJNNZ-BONVTDFDSA-N 320.691 5.900 30 10 DKEE Clc1cc(Cl)cc(/N=C/c2c(Cl)cccc2Cl)c1 59456899 CQIQTKOVHNQVAU-CNHKJKLMSA-N 319.018 6.051 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1C(C)C 83192660 SFGXHCWACIZLAQ-PKNBQFBNSA-N 324.420 5.113 30 10 DKEE CCCC1(CCC)CC(C#N)(c2ccc(Cl)cc2Cl)C1 86541429 JHJLCJAKJPXDKY-UHFFFAOYSA-N 310.268 6.135 30 10 DKEE CCCCCCCCS[C@H](CCCC)c1ccccc1O 103013707 ZGYIDBQTZLLUJQ-LJQANCHMSA-N 308.531 6.717 30 10 DKEE C[C@@H](CC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C(C)(C)C 111650478 NHKRKVNEVIMUJC-GWCFXTLKSA-N 312.240 5.242 30 10 DKEE CCCCCCCC[C@H](N)c1sc(C)cc1Br 115063137 VKKRYLKCJCVMQH-ZDUSSCGKSA-N 318.324 5.569 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccccc1C(F)(F)F 115652216 OOXSTMWPDPCQJC-MRXNPFEDSA-N 302.380 5.880 30 10 DKEE CCCCCCCC[C@@H](CSc1ccccc1C)NCC 117437050 MNXSZFDFRVYWOO-SFHVURJKSA-N 307.547 5.816 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1nc(C(C)(C)C)cs1 132235468 HFPAXYDFUPAOCK-OAHLLOKOSA-N 311.535 5.485 30 10 DKEE C[C@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(C#N)s1 134836241 ZCNMNHSGJONFGY-YVEFUNNKSA-N 316.445 5.197 30 10 DKEE CC(C)c1ccccc1Nc1ccc(Br)cc1C#N 229165159 QPGHABAEFOCDJH-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1F)c1cc(Cl)sc1Cl 235515989 ONYXRARXJWIYGH-ZETCQYMHSA-N 315.200 5.239 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1CS[C@H](C)[C@@H](C)S1 300421317 COTWNNLQWCOFOE-NCOADZHNSA-N 317.608 5.341 30 10 DKEE Cc1cc(Nc2cccc(OCc3ccccc3)c2)ccc1C#N 310421168 LAYWLIQRVRFHQT-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CC[C@H](C)[C@@H](C)[C@H](C#N)Sc1ccccc1Br 319871546 VXXVWRVDRWXAEC-WDMOLILDSA-N 312.276 5.116 30 10 DKEE CC[C@H]1NC(=Nc2cc(Cl)c(C)c(Cl)c2)S[C@@H]1CC 690282726 PMRCBFQXRDAXHN-CHWSQXEVSA-N 317.285 5.183 30 10 DKEE CC[C@@](C#N)(C(C)C)N(C(=O)OC(C)(C)C)c1ccccc1C 698419589 ODBNCBCJZDMPPN-LJQANCHMSA-N 316.445 5.065 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C#N)CCCCCCCCC 698966805 HMWACVUXSMSUMC-QGZVFWFLSA-N 322.493 5.442 30 10 DKEE CC(C)C(C)(C)CSc1ccc(C#N)c(C(F)(F)F)c1 718784501 VROWHLXPDMZCNB-UHFFFAOYSA-N 301.377 5.351 30 10 DKEE C=C1CCC(COc2ccc(Br)c(Cl)c2)CC1 724570224 PKFFAWYSUFGLQL-UHFFFAOYSA-N 315.638 5.228 30 10 DKEE CSc1c(SC(F)(F)F)cc2sccc2c1CC#N 725318712 WNWQCYORFFIKJL-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CC(C)(C)c1ccc(C#Cc2cc(Br)cs2)cc1 1614730682 HWDFFYWLHZEIPH-UHFFFAOYSA-N 319.267 5.208 30 10 DKEE CCc1ccccc1C#Cc1cc(C(F)(F)F)ccc1Cl 1614826550 AMNNFORHFAOCNT-UHFFFAOYSA-N 308.730 5.321 30 10 DKEE Fc1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1C(F)F 1848359046 TYZDZFQSVYVSSH-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CCCCCCCCCCn1cc(OCCC)c(=O)cc1C 1870083271 MRPCQBVBJJPVGU-UHFFFAOYSA-N 307.478 5.086 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1874623873 ACUQZEMITVSJLV-VGOFMYFVSA-N 320.432 5.661 30 10 DKEE CC(=O)C(C)=Cc1ccc(-c2ccc(Br)cc2)s1 1882224968 DONBSIKFOXTXSC-UHFFFAOYSA-N 321.239 5.170 30 10 DKEE CC(C)C1CCC(C=O)(Cc2cc(Cl)sc2Cl)CC1 1883038738 KHDZQCSASKKYJZ-UHFFFAOYSA-N 319.297 5.629 30 10 DKEE SCCCCCCN(Cc1ccccc1)CC1CCCC1 1931881700 KUYSVMUZQHWURK-UHFFFAOYSA-N 305.531 5.169 30 10 DKEE SCCCCCCCCCN(Cc1ccccc1)CC1CC1 1932002693 YQFHVWXYSRWPEB-UHFFFAOYSA-N 319.558 5.559 30 10 DKEE C=CCCCCCCCCC[C@@H](COCc1ccccc1)NC 1995325270 IGUDIAXWCCNSLQ-NRFANRHFSA-N 317.517 5.488 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Cl)sc1Cl 2040534819 VHYPPKKJYWQBBC-GXFFZTMASA-N 306.302 5.698 30 10 DKEE CCCC[C@](C#N)(CC)Cc1ccc(C)c(Br)c1 2045991778 CFJJQCFMXSCRTF-MRXNPFEDSA-N 308.263 5.410 30 10 DKEE FC(F)c1cc(OC(F)(F)F)cc(C(F)(F)F)c1Cl 2054960825 MUNSZCZRJYQLQJ-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CCCCCCCCCC[C@H](O)c1snc(Cl)c1Cl 2110901431 JWBIPMMVYFJAKU-NSHDSACASA-N 324.317 6.014 30 10 DKEE CCCCCCCCCCCC[C@@](C)(N)CSC(C)C 2144746396 ULRCZGMSZQHFGV-GOSISDBHSA-N 301.584 6.156 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H](O)c1cscc1Cl 2148604690 YYPAEIXNXWXUBR-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ncc(SC)s1 2164274977 WHUMFBJGURTZFC-CQSZACIVSA-N 314.564 5.656 30 10 DKEE CCCCCCCCN(Cc1cccs1)CC(F)(F)F 2195496804 XWXWBAGSKKBNLT-UHFFFAOYSA-N 307.425 5.473 30 10 DKEE Cc1cc(Cl)cc(Cl)c1NC[C@@H](C#N)C1CCCCC1 2201068998 UGVKWNACISLYNY-CYBMUJFWSA-N 311.256 5.434 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1cscc1Cl 2207416784 YTMFAQWCMNPMIA-KRWDZBQOSA-N 313.938 6.359 30 10 DKEE C=CCCCCOC[C@H](NCC)c1cccc(Cl)c1Cl 2234042711 NSYJJZAEPJKPAE-HNNXBMFYSA-N 316.272 5.017 30 10 DKEE CC(C)(C)C#CC=CCN(Cc1ccccc1)CC1CCCCC1 2248508706 NRQCKBYMHZCBTL-UHFFFAOYSA-N 323.524 5.675 30 10 DKEE C=C[C@H](C)CCNc1cc(Br)ccc1C(F)(F)F 2260237904 ICMXCLLISMTCCS-VIFPVBQESA-N 322.168 5.092 30 10 DKEE CC1(CSC[C@@H](CS)C(C)(C)C)CC(C(F)(F)F)C1 2271691765 IJFADKVWHDEDFD-QWKFWESOSA-N 314.482 5.290 30 10 DKEE CCCCCCCC[C@H](O)[C@H](NCC)c1cc(Cl)cs1 2290435971 MDMKAIMSZOGUSY-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccc3ccccc3c2)cc1 2323395716 YIIZHPBSBMLMHK-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE C=C(C)CCCCNCc1cc(Br)cc(C(C)C)c1 2335129788 CZRZDYIXWXEECU-UHFFFAOYSA-N 324.306 5.409 30 10 DKEE CCCCCCCCNCc1ccc(Cl)c(Cl)c1C 2338668495 XBTSCWHFTXBLIF-UHFFFAOYSA-N 302.289 5.752 30 10 DKEE C=C([C@H](NCCC)c1c(F)ccc(C)c1Cl)[Si](C)(C)C 2360720394 SBXAVQJESHUJSN-INIZCTEOSA-N 313.920 5.262 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(Cl)c(C(F)F)s1 2371321337 XYJOVZMNONYOAN-ZFWWWQNUSA-N 321.864 5.982 30 10 DKEE Cc1ccc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)c(C)c1 37346251 IBBIKOLJVXXWAX-OAHLLOKOSA-N 318.203 5.100 30 10 DKEE CCCCCCCCC[C@H](NN)[C@H]1CCCc2sccc21 122224547 QXIFYWKRSBXISK-RDJZCZTQSA-N 308.535 5.141 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(Br)c(C)c1 125658911 IZWSQMADGYJNJT-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCC[C@H](NCCC)[C@]1(C)CCCS1 143466578 SQWNZUQAUGGYMQ-OALUTQOASA-N 313.595 6.171 30 10 DKEE C[C@H](CCCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1F 163423040 HWEKPNPLDWCYLO-MRVPVSSYSA-N 317.248 5.378 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(F)cc2)C1 222249524 DDQATALTRMYZEV-VBQJREDUSA-N 305.462 5.662 30 10 DKEE CC(C)(C#N)CCCCSc1ccc(Cl)c(Cl)c1 232524082 DRYYQSLAACSFEQ-UHFFFAOYSA-N 302.270 5.806 30 10 DKEE COc1ccccc1C=Nc1ccc(Nc2ccccc2)cc1 257352817 NPERIDQRPKCPNB-UHFFFAOYSA-N 302.377 5.189 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1CS[C@H](C)[C@H](C)S1 300421794 IQEVVOXYIUKCMR-QZWWFDLISA-N 317.608 5.341 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(Cl)c(Cl)c1 404272520 LUURKWAWRNSVPS-LLVKDONJSA-N 322.707 6.808 30 10 DKEE CCCCCCCCCCCCNCC1SCCS1 692825071 WOZKPJHSEQRHKO-UHFFFAOYSA-N 303.581 5.303 30 10 DKEE CCCCCCCCCOc1cc(Br)ccc1N 703832373 TWYSTMNQDKWSOH-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE N#Cc1c(C(F)F)cc(SC(F)(F)F)c2sccc12 725291154 BRZCYAVZNJOMEM-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1cc(Cl)ccc1Cl 1919520517 BSUJFKULFZQABH-MRXNPFEDSA-N 302.289 5.614 30 10 DKEE CCCCCCCCCCNc1csnc1Br 1926864971 JKBKUKKEFBKRJB-UHFFFAOYSA-N 319.312 5.458 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)C1CCCC1 1932028272 ALRQIGYBKOGIJH-UHFFFAOYSA-N 305.531 5.167 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(Br)sc1C 1946701052 PCRIGSFUYJDDKJ-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE Cc1cc(C(=O)C2=CCCCCCC2)c(Br)s1 1951093978 SUFFCGIZJGGFBR-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE CCCCCCC[C@H](N)c1c(Br)sc(C)c1C 1951103770 VNCYOHQQSIZSTH-LBPRGKRZSA-N 318.324 5.488 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 1975935082 JBRCOPHDGYJYBM-CYBMUJFWSA-N 317.429 5.127 30 10 DKEE C[C@H]1CC=C(C(=O)c2cccc(OCc3ccccc3)c2)CC1 1985234255 FEYDREODHVGLQP-INIZCTEOSA-N 306.405 5.195 30 10 DKEE CCCCCCC[C@@]1(C)Nc2cccc(Br)c2O1 2027920746 QLQTXNNYXLKGCI-HNNXBMFYSA-N 312.251 5.330 30 10 DKEE Cc1ccc(Br)cc1C(=O)C1=CCC(C)(C)CC1 2061189598 PAVFTOXZRKTOFZ-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](C)c1ccc(C2CC2)cc1 2070160688 YDXDTTKZJJEBOI-INIZCTEOSA-N 312.416 5.018 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1ccc(C2CC2)cc1 2070164448 CWCOVJHWBKMECH-HNNXBMFYSA-N 304.437 5.009 30 10 DKEE C=CCCCCC[C@@](O)(CC)c1cccc(Br)c1 2075705666 IJWXSONWUPTXRS-INIZCTEOSA-N 311.263 5.183 30 10 DKEE C/N=C1\CC[C@H](c2cccc(Cl)c2Cl)c2ccccc21 2080528014 DWRSHTXEMAZHOE-WREBDXAUSA-N 304.220 5.338 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1c(Cl)cncc1Cl 2107969815 UHPLZKKIHXBGMP-ABAIWWIYSA-N 301.261 5.031 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2c(Cl)cncc2Cl)CC1 2157108656 XTCPICASSLBZPH-INIZCTEOSA-N 314.256 5.107 30 10 DKEE N#Cc1cc(Cl)ccc1N1CCCC[C@H]1c1cccs1 2171824642 SWPWBFSWAQFCHG-HNNXBMFYSA-N 302.830 5.005 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1cccc(Cl)c1Cl 2173630155 SPRYMNYCKTVBPY-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE C=CCCCC[C@H](NC)c1cccc(SC(F)(F)F)c1 2179675916 BBRCABOFXBXUKW-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE CCCN[C@@H](C)c1cscc1-c1ccc(Cl)c(C#N)c1 2197930714 JQEYLIDZJXOBRU-NSHDSACASA-N 304.846 5.001 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203957101 OKEVYCFGNBWHRQ-ABAIWWIYSA-N 312.240 5.386 30 10 DKEE CCCCCCCCCCCOC/C(C)=C/Br 2216929743 XRRONYOVNREMGZ-FYWRMAATSA-N 305.300 5.833 30 10 DKEE CCc1cc(Br)ccc1C(=O)C=C1CCCCC1 2221754937 VXSRAYXWVPUIIH-UHFFFAOYSA-N 307.231 5.085 30 10 DKEE CCCCCCC[C@@H](O)C(=O)c1cc(Cl)cc(F)c1Cl 2239688982 QPLHGYNJQNVLBD-CYBMUJFWSA-N 321.219 5.037 30 10 DKEE CCCCCCCCCCNc1cc(Cl)c(Cl)cc1C 2281508916 RJPRUDJUFUHWKE-UHFFFAOYSA-N 316.316 6.854 30 10 DKEE C=CC[C@H](C)Oc1c(Cl)cc(CNCC(C)C)cc1Cl 2296257785 NKBJBBQYIWQTBT-LBPRGKRZSA-N 316.272 5.082 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339015038 WYNODNCEMNXCFT-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1scc(Cl)c1Cl 2339559850 MHQYNBIPVYPTGB-ZYHUDNBSSA-N 316.297 5.145 30 10 DKEE C[C@H]1CCCC[C@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2349905853 GYSAKKCPDRKHIL-ZUZCIYMTSA-N 303.204 5.070 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 2364082839 GTNVWGPJDZQKLP-CQSZACIVSA-N 304.739 5.161 30 10 DKEE C=CCN(CCCc1cc(Cl)cc(Cl)c1)C1CCCC1 2366830707 BPPPUYFSSQXITR-UHFFFAOYSA-N 312.284 5.357 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)c(C(F)F)s1 2371200823 GGZWWNUMZNBHNW-GFCCVEGCSA-N 323.880 6.480 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2377267565 DVRYQNOWWLVOAV-MRXNPFEDSA-N 321.263 6.307 30 10 DKEE CSc1ccccc1/N=C/C=C1\N(C)c2ccccc2C1(C)C 6179477 KIAYAIXWJXVMCA-GRDMYJHDSA-N 322.477 5.422 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2)s1)/C=C/c1ccccc1 34688880 RBQUVPCPWWHCTJ-WCYNZMGESA-N 316.425 5.711 30 10 DKEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2cc(F)ccc2F)C1 35676261 JCNYMJJWVNPISS-TYNCELHUSA-N 309.425 5.411 30 10 DKEE Cc1csc(S[C@H]2C[C@@H](c3ccccc3)CC[C@@H]2C#N)n1 37155790 IAOZYIWKYLRCNL-XHSDSOJGSA-N 314.479 5.020 30 10 DKEE CCOc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1cccs1 83192702 XPHJEYIJZCSHLE-MDZDMXLPSA-N 314.450 5.340 30 10 DKEE CCc1ccsc1C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 94531336 XVKKOORZEYYTIE-JTQLQIEISA-N 324.232 5.107 30 10 DKEE CCCCCCCNC[C@@H](CC)Oc1ccccc1[C@@H](C)CC 100027428 RKMIXIPPNOVGCJ-RBUKOAKNSA-N 319.533 5.918 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(Br)o1 124978229 XCVPLJWRAWSMOZ-ZDUSSCGKSA-N 316.283 5.443 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1CCCc2sccc21 140461519 ACEZOFKUOJMZFU-AEFFLSMTSA-N 307.547 5.897 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(Br)cc1Cl 167764391 QPEGETOVNFECQO-CQSZACIVSA-N 316.670 5.109 30 10 DKEE Cc1cc(C(=O)C2=CCCCCCC2)ccc1Br 235837150 WLEFVUDQCHVBSR-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE N#C[C@H](c1ccc([N+](=O)[O-])cc1Cl)c1cccc2ccccc12 256090967 CJDWJRUDBMXCEW-KRWDZBQOSA-N 322.751 5.057 30 10 DKEE CSc1cc([C@@H](CC#N)C2CC2)cc(SC)c1SC 260657554 QKIJNISLCYRBHW-LBPRGKRZSA-N 309.525 5.260 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(C)c(Br)c2)C1 313989872 LFRQROIZPGIMJS-YOEHRIQHSA-N 320.274 5.410 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(C)c(Br)c2)C1 317349398 SUXJLBWLDGOVTN-WMLDXEAASA-N 323.274 5.086 30 10 DKEE C=C([C@@H](NCCC)c1c(Cl)cccc1Cl)C(F)(F)F 388556434 YQKYOPXEZRQQLL-GFCCVEGCSA-N 312.162 5.153 30 10 DKEE CC[C@@H]1CCCCC[C@H]1Nc1cc(Br)ccc1C#N 691078610 ULHDFOCUYDOXBR-IUODEOHRSA-N 321.262 5.092 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 709120161 XBSVZVBYSCHZHL-GHMZBOCLSA-N 312.240 5.242 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C)cc1Br 715815841 VUWOFEQJEAMLHC-CZUORRHYSA-N 310.279 5.010 30 10 DKEE CC1(C)CCCCC[C@H]1Nc1cc(Br)ccc1C#N 719203376 DTERVDJOUIOSPP-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE Fc1cc2cc(C(F)(F)F)c(SC(F)(F)F)cc2s1 725305309 XXODLWOZBMARSA-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1c(Cl)cccc1Cl 821989393 XQZDRJMXZREOOJ-XJKCOSOUSA-N 312.284 5.779 30 10 DKEE CC(C)(C)C1CCC(=NOC(=O)Cc2ccc(Cl)cc2)CC1 1860464842 YLRSCZGDCFSGRI-UHFFFAOYSA-N 321.848 5.018 30 10 DKEE CCCCCCCCCCN(C)Cc1cc(Cl)cs1 1883861198 DLEHORCPUPGMKG-UHFFFAOYSA-N 301.927 5.974 30 10 DKEE CCCCCCCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 1961649096 SWBAATVFXOPEFM-LJQANCHMSA-N 303.490 5.027 30 10 DKEE C#CCCCCC[C@H](NCC)c1scc(Cl)c1Cl 2035093007 COLNHGSXZKFSIG-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2snc(Cl)c2Cl)C1 2048350912 FBQRQDKFXMAASX-NOZJJQNGSA-N 303.258 5.103 30 10 DKEE Cc1c(Cl)cc(C[C@@]2(C#N)CC=CCC2)cc1Br 2048639911 JTPWTXLJVTUZIJ-OAHLLOKOSA-N 324.649 5.204 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(Br)ccc2C)CC1 2061195963 OYDZIYDCSXVBKE-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE N#C[C@H](c1cccc(Br)c1)[C@H]1CCC2(CCCC2)C1 2098998533 MFVQIVZUOIXKOR-GOEBONIOSA-N 318.258 5.417 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cc(Br)ccc1F 2117013590 KGRAZHQDPIGVQS-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE CCCCCCCC[C@@H](NCC)c1sc(Cl)nc1Cl 2142452472 HYQLQFGZKTWKGT-LLVKDONJSA-N 323.333 5.851 30 10 DKEE c1cc(N=C2N[C@H](c3ccsc3)CS2)c2sccc2c1 2175634896 VULWNANZETWQAA-ZDUSSCGKSA-N 316.476 5.028 30 10 DKEE N#CC1(c2cc(Cl)cc(Cl)c2)CC2(CCCCCC2)C1 2203962730 RVFMBKRANAIOJZ-UHFFFAOYSA-N 308.252 5.889 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1c(Cl)cccc1Cl 2206893548 BADQHTUJJIGHIC-INIZCTEOSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCCCCC(=O)C(F)(F)C(F)(F)F 2207405518 SJRDORVNTJXUNR-UHFFFAOYSA-N 300.311 5.450 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Cl)cc(F)c1Cl 2231172561 QLCWQTFNFKSDDX-HNNXBMFYSA-N 307.236 5.701 30 10 DKEE C=CCCCCCCn1c(S)nc2ccc(F)c(Cl)c21 2235693786 ADWGBVLDYCVQHG-UHFFFAOYSA-N 312.841 5.254 30 10 DKEE CCCCCCCCC[C@@H](C)NCCC=CBr 2252957778 RCSAQLVKSKXESQ-OAHLLOKOSA-N 304.316 5.404 30 10 DKEE CCCCCCCCCOc1cccc(C)c1Br 2263764455 RJXRSYCBLJSZOA-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE C=C1[C@H](O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=Cc1ccoc1 2333301285 RHCBUXSXDFNUAG-JRBPQWBISA-N 300.442 5.062 30 10 DKEE N#Cc1cc(Br)ccc1NCCCC1=CCCCC1 2340968855 GNISXPFPDRGFQQ-UHFFFAOYSA-N 319.246 5.013 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)c(Cl)cc1Cl 2344338997 FLLRLAKWXSMIBJ-LSDHHAIUSA-N 320.691 5.900 30 10 DKEE O=C1/C(=C\c2ccc(Cl)cc2)CCC/C1=C\c1ccccc1 1512643 JVNRKLUOBQCOLV-XINBEAJESA-N 308.808 5.560 30 10 DKEE N#Cc1ccc(Oc2ccc3ccccc3c2Br)cc1 110262816 PYPVXNKXQOGOES-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1C[C@H](N)CC 112904583 NDYZJMVUDISGDN-QGZVFWFLSA-N 311.897 5.359 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)sc1Cl 115062253 IJWNUTNPEOIHTO-UHFFFAOYSA-N 307.286 6.378 30 10 DKEE CCCCCCCCCC[C@H](Cc1cccc(Cl)c1)NN 125378535 CBZKDNAOITVOML-GOSISDBHSA-N 310.913 5.245 30 10 DKEE CCCCCCCC[C@H](NC)[C@H]1CCC[C@H](C(F)(F)F)C1 140391780 LQGPAHAZJWFCLN-JYJNAYRXSA-N 307.444 5.694 30 10 DKEE CCCCCCC[C@]1(C)C[C@@H](NC)c2cc(Cl)ccc2O1 229189531 WFKSLBRHCBPZGH-SJLPKXTDSA-N 309.881 5.502 30 10 DKEE Cc1cc(Cl)c(Nc2ccc(C#N)c(F)c2F)cc1Cl 235834295 ZUCDGKVMCRPJJA-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE O=[N+]([O-])c1ccc(C=Nc2ccccc2-c2ccccc2)cc1 254397091 AEEOLNJUVLDLLV-UHFFFAOYSA-N 302.333 5.012 30 10 DKEE CCCCCCCCC[C@]1(O)CCN(Cc2ccccc2)[C@@H]1C 309689625 CMPJNFPKXUXOJN-CTNGQTDRSA-N 317.517 5.153 30 10 DKEE C=CCC(C)(C)CN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692322996 VBINNJXQCYAAOD-JTQLQIEISA-N 304.236 5.385 30 10 DKEE CC1(C)CCCCC[C@H]1Nc1ccc(C#N)cc1Br 719207129 NTNNERJUUCQDJN-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE Fc1csc2ccc(SC(F)(F)F)c(C(F)(F)F)c12 725305301 XOPJDQNYJOXNJJ-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE Fc1cccc(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F 1848363710 LMEYIPVIXIIMSY-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE Fc1c(-c2ccccc2OC(F)(F)F)cccc1C(F)(F)F 1848363737 NHVXAVOUWAORLJ-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C=CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 1874603880 JNQHSXGXGJJUEO-NTEUORMPSA-N 318.416 5.026 30 10 DKEE C=C([C@H](NC)c1c(Cl)cccc1C(F)(F)F)[Si](C)(C)C 1923044285 GFWGAQXXIFGXPC-ZDUSSCGKSA-N 321.846 5.053 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@@H](CS)C1CCC1)C(C)(C)C 1931998747 PGPIUDXBBHKMGV-APWZRJJASA-N 319.558 5.269 30 10 DKEE CCCC[C@@](C)(C#N)[C@@H](O)c1ccc(OCc2ccccc2)cc1 2000513534 KVVOJZBTZINVSM-SFTDATJTSA-N 323.436 5.019 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(C)cc(Br)c1 2070444130 FWPGPSAYRQQPLF-WBMJQRKESA-N 310.279 5.010 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(Br)ccc2F)C1 2112240353 RRUPTBBHJYLUPB-INIZCTEOSA-N 324.237 5.241 30 10 DKEE N#C[C@@H](Sc1ccc(Cl)cc1)[C@H]1CCC2(CCCC2)C1 2155224881 QSQYKQLASWHVTF-XJKSGUPXSA-N 305.874 5.685 30 10 DKEE CC1(C)CCCC[C@]1(C=O)CCc1cc(Cl)cc(Cl)c1 2173662693 OOQHQCUQQOTEMD-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE CCSc1cccc(Nc2cc(Cl)c(F)cc2C#N)c1 2184423883 WVWUGLXLOZSWMK-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE C=C1CCC(C[C@](O)(CC)c2ccc(Cl)c(Cl)c2)CC1 2196507037 YWAKYAFGXCGNQX-QGZVFWFLSA-N 313.268 5.728 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(C(F)F)cs1 2207403820 PSWBCDAISBPHNS-CQSZACIVSA-N 301.446 5.992 30 10 DKEE CCc1cscc1C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235758838 YHAGYVAILZLXLD-LLVKDONJSA-N 324.232 5.107 30 10 DKEE N#Cc1ccc(CSCCCCCCC2CC2)c(Cl)c1 2239359415 OQVZGXFBAHMPCV-UHFFFAOYSA-N 307.890 5.805 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1C(=N)N 2287067986 GEZQXPCKUREIQE-UHFFFAOYSA-N 310.894 5.243 30 10 DKEE C=CCCCCCCCSc1ncc(CNC(C)C)s1 2287077691 XGWOQUVXODRUGL-UHFFFAOYSA-N 312.548 5.260 30 10 DKEE CC(C=Cc1ccccc1)=NNc1nc(-c2ccccc2)cs1 2294728314 IMFXLYJNUOEQPW-UHFFFAOYSA-N 319.433 5.311 30 10 DKEE C=CCCCC[C@@H](NCC)c1sc(C(F)(F)F)cc1C 2295259535 XQBVESLYVIVQOB-GFCCVEGCSA-N 305.409 5.472 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(Cl)cc1Cl 2344373672 BWKIBVYRWJOJJI-CVEARBPZSA-N 300.273 5.636 30 10 DKEE CCCC[C@@](C)(C=O)[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353214537 UGPQICGTQOGBJY-LRDDRELGSA-N 301.257 5.801 30 10 DKEE CC1(C)OCC[C@@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366901424 YXASAAPRHMGHKE-MRXNPFEDSA-N 312.240 5.025 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccsc1C(F)(F)F 2370522199 OOCIKGCSCRNFAC-JSGCOSHPSA-N 305.409 5.410 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(F)c(Cl)cc1Cl 2377323970 KFBAHMGPCGRBAX-INIZCTEOSA-N 320.279 6.273 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 33406227 ZJGHZYSPLLZMBK-LUAWRHEFSA-N 322.791 5.805 30 10 DKEE Fc1ccc(OCC2(CS)CCCCCC2)cc1Cl 94585382 DBGPKZHHPUVDTC-UHFFFAOYSA-N 302.842 5.128 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(C)c(F)c1 94837475 HFHMNZKKGMGWQC-CQSZACIVSA-N 301.430 5.585 30 10 DKEE Cc1ccsc1/C=C1/CCC/C(=C/c2sccc2C)C1=O 96577926 CTZDSUQWKVOBMC-HYQBVQLESA-N 314.475 5.646 30 10 DKEE CC1(C)[C@H]2CC[C@@]1(C)/C(=N/C(=O)c1cccc3ccccc13)C2 100845665 NJAUAVBOKXJGQK-YHCPVJMSSA-N 305.421 5.267 30 10 DKEE CC(C)c1ccc(C(=O)/C=C\Nc2ccc(Cl)cc2F)cc1 103029957 FKWQOIHNPLUGSU-KTKRTIGZSA-N 317.791 5.411 30 10 DKEE Cc1ccc(C(=O)/C=C(/Nc2ccccc2)c2ccccc2)cc1 103841434 SQVBMSBLPYNBJM-LTGZKZEYSA-N 313.400 5.331 30 10 DKEE Cc1ccc(N/C=C/C(=O)c2cccc3ccccc23)cc1Cl 108800384 LKJBIKBIGSQZKW-VAWYXSNFSA-N 321.807 5.610 30 10 DKEE CCCCCCCCCCCC(=O)c1cc(F)ccc1Cl 127616284 AFBJXZBDQVOVIG-UHFFFAOYSA-N 312.856 6.583 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(Cl)cc1OC 157820957 JEHPMGLUVJELHH-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(Cl)cc1Cl 158895162 BROYRIDUMJOVHI-INIZCTEOSA-N 300.273 5.116 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@@H]1CS[C@H](C)[C@@H](C)S1 300278462 XEKJAIAYAFJTJF-NCOADZHNSA-N 315.592 5.117 30 10 DKEE CC(C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698913128 CBCKPZJKKBWUGA-ZDUSSCGKSA-N 322.836 5.020 30 10 DKEE CCCCCCCCCC(=O)c1oc(C)cc1Br 706411606 AAWHKZCMIXCLKE-UHFFFAOYSA-N 315.251 5.674 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(N(CC(C)C)C(=O)OC(C)(C)C)CC1 710764689 JIMOBCLQIRXMRG-APWZRJJASA-N 322.493 5.132 30 10 DKEE C=C1CCC(C[C@H](N)c2ccc(OCc3ccccc3)cc2)CC1 724602343 JYNGSBDVUBKBJC-QFIPXVFZSA-N 321.464 5.402 30 10 DKEE C#Cc1ccc(C2SCC(C(C)(C)C)CS2)c(C)c1C 1614348657 PRDLGQBVEZACNO-UHFFFAOYSA-N 304.524 5.426 30 10 DKEE CCCCCCCCCCN=c1[nH]c2cc(Cl)ccc2o1 1859792831 PXHQLWSAPDTTDF-UHFFFAOYSA-N 308.853 5.456 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 1874595494 OCDLXMOMPTUDSJ-MDZDMXLPSA-N 312.796 5.191 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cscc1OCc1ccccc1 1934840175 XIMUKHYPKLJPBW-HNAYVOBHSA-N 315.482 5.190 30 10 DKEE C=CCCCCCN(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 1990822656 HXHKBDWZKKIFIJ-PMACEKPBSA-N 315.501 5.049 30 10 DKEE C=CCCCCCC[C@@H](NCCC)[C@H](C)OCc1ccccc1 1995175299 DHBXNNNHNYUKJU-PZJWPPBQSA-N 317.517 5.487 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(Br)cc2Cl)CC1 2010604743 HXWUCHZSVNHEOK-VIFPVBQESA-N 313.622 5.032 30 10 DKEE C=C1CCC(CNc2cc(C)cc(Br)c2F)CC1 2028924887 UKWARIBTMIUBDN-UHFFFAOYSA-N 312.226 5.055 30 10 DKEE CCC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 2060405906 QGFRMJPVWUZMCM-RMKNXTFCSA-N 318.775 5.050 30 10 DKEE N#CC1(CNc2c(Cl)cc(Cl)cc2Cl)CCCCC1 2109988207 DLEHWRIVOVBVAI-UHFFFAOYSA-N 317.647 5.533 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cccc(F)c1Br 2117012885 DLUWUKATYIWZMN-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 2146989181 HMAVGSMQMFIIIO-MRXNPFEDSA-N 317.256 5.347 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccc(SC)s1 2149705860 XRLNCRPLVUVWQW-OAHLLOKOSA-N 313.576 6.261 30 10 DKEE CCC[C@@H](Nc1cc(Cl)c(C#N)cc1F)c1cccs1 2177382247 YDSMJFZSIRXEOV-CYBMUJFWSA-N 308.809 5.366 30 10 DKEE CC[C@@H]1CC=C(C(=O)COc2ccc(Cl)cc2Cl)CC1 2181646182 WHWFVMAXWWAZKC-LLVKDONJSA-N 313.224 5.078 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200836558 QYTVVCLFGQUCHD-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)c(F)cc1Cl 2204309465 XOIXNWLHVKGMDZ-UHFFFAOYSA-N 319.247 6.456 30 10 DKEE C=C[C@H](CCCCC)OCc1cc(Br)cs1 2212482851 NRMTYUXGXNQIOD-GFCCVEGCSA-N 303.265 5.162 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2234033187 CBDBUYSAXFQEOS-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1ccc(Cl)cc1Cl 2235525442 ZUUBMPNLXIJZOE-KRWDZBQOSA-N 314.300 6.084 30 10 DKEE C=CCCCCCCC[C@H](CCP(C)(C)=O)NCCC 2235525649 CGUIJJATYLBGHJ-QGZVFWFLSA-N 301.455 5.284 30 10 DKEE C=C(C)CCCCOc1cc(Br)ccc1Cl 2244628571 KFENXGNGQDCPAL-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE C=C(C)CCCCc1ccc(Cl)c(Br)c1F 2244654781 OQHPZQKRBMECNH-UHFFFAOYSA-N 305.618 5.531 30 10 DKEE C=C(C)CCCC[C@H](N)c1sc(CC)cc1Br 2250131178 GXAHVXQPQKXTQN-ZDUSSCGKSA-N 316.308 5.209 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(Cl)nc(Cl)c2)CC1 2286806002 PLSHJQCFQAQFBH-INIZCTEOSA-N 311.256 5.431 30 10 DKEE CCCCCCC[C@@H](NCC)c1cnc(C(C)(F)F)s1 2289247082 QJWDGZPXMLKLEE-GFCCVEGCSA-N 304.450 5.266 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1ccc(C)cc1C 2330459046 DMGYQOUKJLRRRP-UHFFFAOYSA-N 303.405 5.397 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cccc(C)c1Br 2338744339 NCQGOFPKIPQNNQ-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE CC[C@@H](C)[C@@H]1CSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340145684 JAMVEDZWKQAJIG-PELKAZGASA-N 317.285 5.040 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cccc(Cl)c1Cl 2344341762 DZELPRWKASZDSQ-CVEARBPZSA-N 300.273 5.636 30 10 DKEE CSc1cc(SCc2ccccc2Cl)ccc1C#N 2353842507 FACJWGUEHKMWBI-UHFFFAOYSA-N 305.855 5.226 30 10 DKEE CN(/N=C/c1ccc2cc3ccccc3cc2c1)c1ccccc1 59166254 XFTOXYPQQVLXTA-XQNSMLJCSA-N 310.400 5.463 30 10 DKEE Cc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)c2ccccc12 83204455 YAERUYOQOBCGNH-ACCUITESSA-N 311.384 5.526 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Br)cc1C 109752436 YFUFUOOVZXQCIA-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE CCCCCCCCNc1ccc(Cl)cc1C(F)(F)F 109754217 JRDKCRWKVQXKBH-UHFFFAOYSA-N 307.787 6.131 30 10 DKEE CCCCCCCCCNc1cc(C(F)(F)F)ccc1Cl 110153833 SCCDNGBZLOUYSD-UHFFFAOYSA-N 321.814 6.521 30 10 DKEE CCCCCCCCCCCCN1CCCC[C@H]1C(N)=S 112900994 ZLVHHHSMGGZKPF-KRWDZBQOSA-N 312.567 5.048 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1ccc(Cl)s1 115062579 BDRDDDAXIZBEEN-CQSZACIVSA-N 301.927 6.322 30 10 DKEE CCCCCCCCC[C@H](NN)c1ccc(F)c(Cl)c1 126216457 JJPDDMYASJONFW-INIZCTEOSA-N 300.849 5.124 30 10 DKEE CCCCCCCCCCNC1CCC(C(F)(F)F)CC1 129247505 RRZMWIGLENZGNS-UHFFFAOYSA-N 307.444 5.838 30 10 DKEE Cc1cc(Nc2ccc(Br)cc2Cl)ccc1C#N 133358575 DMKGDKLAQUDWIH-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CSc1cccc(Nc2c(Cl)cccc2Cl)c1C#N 136674172 IDLYHLUVQNLHSL-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccc(C)c(Cl)c1 158907019 VCRHTWXDOANSNH-IBGZPJMESA-N 309.925 6.440 30 10 DKEE CCCCCCCC[C@@H](NCC)c1c(Cl)cccc1Cl 158939224 CGBHTJDOMZVOBT-MRXNPFEDSA-N 316.316 6.395 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc2ccc(F)cc2s1 159110263 GDFBLAIMTPUMJD-MRXNPFEDSA-N 307.478 6.052 30 10 DKEE N#C[C@H](C(=O)CC1CCCCCC1)c1c(Cl)cccc1Cl 162024910 UYTHKSIXJLPKQF-CYBMUJFWSA-N 324.251 5.530 30 10 DKEE Cc1ccc(-c2csc(N/N=C\c3ccccc3C)n2)cc1C 169964012 YXZOXCSITJMLHU-JAIQZWGSSA-N 321.449 5.181 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(Cl)cc(Br)c1 233548296 IMRKZDMIDHFBPK-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc(Cl)ccc2Cl)C1 233923629 LPPXJIZTEPJTFZ-RLCCDNCMSA-N 312.240 5.137 30 10 DKEE N#Cc1ccc(Nc2c(Cl)cc(F)cc2Cl)c(F)c1F 236207301 DLWIUFYFJXKNRO-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE CCCCCCCCC[C@H](Cc1sccc1Cl)NCC 312886619 VQWUJWQYGDYRMZ-OAHLLOKOSA-N 315.954 6.063 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCC[C@H](C)C2)cc1Br 314292127 XYCPVRSMFJZTJZ-LRDDRELGSA-N 306.247 5.020 30 10 DKEE CC(C)C1CCC(C#N)(Cc2cnc(Cl)cc2Cl)CC1 380028082 VLWYCLAHIFQJEO-UHFFFAOYSA-N 311.256 5.287 30 10 DKEE C=C(c1cc(F)c(NC(=O)OC(C)(C)C)cc1F)C(C)(C)C 693038769 VDBXZKPRIIMUJN-UHFFFAOYSA-N 311.372 5.371 30 10 DKEE C=CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 710715611 DHMHXUGXURQHBP-LJQANCHMSA-N 320.477 5.195 30 10 DKEE CCCCCCCCCC[C@H](O)c1cscc1C(F)F 717186814 QNEMOQVKMUSOCU-HNNXBMFYSA-N 304.446 6.250 30 10 DKEE C=C1CCC(CNc2ccc(OCc3ccccc3)cc2C)CC1 724544408 KNNHULHTZBTPQV-UHFFFAOYSA-N 321.464 5.732 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cc(Cl)ccc2Cl)CC1 724550931 ZOUXPRSMQCWJCK-QGZVFWFLSA-N 312.284 5.781 30 10 DKEE Cc1ccc(/N=C2/S[CH][C@H](c3ccc(F)cc3)N2C)cc1C 1616088078 BOPHZLKHZKARQC-QTIQAUKSSA-N 313.421 5.012 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(Cl)sc1Cl 1919526066 POWKZJSUCGTCRM-CQSZACIVSA-N 308.318 5.979 30 10 DKEE C=C(COCc1ccccc1)[C@@H](C[C@H](C)CC(C)(C)C)NCC 1922080831 RHALUBSAHFJKIK-FXAWDEMLSA-N 317.517 5.200 30 10 DKEE C(#CC1CCCCC1)CNc1ccc(OCc2ccccc2)cc1 1944812223 WIKQCZNPWIEEAW-UHFFFAOYSA-N 319.448 5.261 30 10 DKEE C=CC1(CNc2ccc(Br)c(Cl)c2C)CCC1 2023970309 JEQUPEYEHRLKPY-UHFFFAOYSA-N 314.654 5.179 30 10 DKEE C=CCCCCCCNc1ccc(Br)cc1CC 2085849323 KCUFTUMZORMZMP-UHFFFAOYSA-N 310.279 5.560 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1OC 2138638612 CEUBLYAUOXMUMO-ZDUSSCGKSA-N 305.245 5.396 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1F 2151940046 JQVSUJMCMMMZBK-SECBINFHSA-N 309.171 5.177 30 10 DKEE C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)c2)c2ccsc2S1 2152744122 LIFFLAMILOUHPJ-YMTOWFKASA-N 320.870 5.311 30 10 DKEE C=CCC[C@@H](C)[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2158316991 VVUCRNJEKHYNPT-PXAZEXFGSA-N 306.858 5.704 30 10 DKEE O=C[C@]1(CCc2cc(Cl)cc(Cl)c2)CCCCC12CC2 2173674951 BQCSIHURLXMPSI-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE CC#CCCCC[C@H](NCCC)c1c(Cl)cccc1Cl 2196169476 FKZABXVVLSQDIX-INIZCTEOSA-N 312.284 5.618 30 10 DKEE COc1cc(NCCCCC(C)(C)C#N)c(Cl)cc1Cl 2203257650 IAKHKQACVKKZIH-UHFFFAOYSA-N 315.244 5.134 30 10 DKEE CCCCCC#CC[C@H](NC)c1csc(C(F)(F)F)c1 2203791881 NMTXLCKZBXBBEB-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCC(=O)c1cccc(C)c1Br 2227272854 OYSBNJGOAPNFSB-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE CCCCCCCCCCCOC[C@@H](CS)C1CCC1 2239503499 WJJSRKNEKZSHST-SFHVURJKSA-N 300.552 5.880 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OCCCCCCCS 2263148388 LGVNAUCJLRIXJZ-UHFFFAOYSA-N 307.286 5.561 30 10 DKEE C=CC1(CC(=O)c2cc(Br)cc(C(C)C)c2)CCC1 2266013772 AXGKURFWUJFBIX-UHFFFAOYSA-N 321.258 5.502 30 10 DKEE C=C1CC(C[C@@H](NCC)c2sc(C(F)(F)F)cc2C)C1 2295258261 HTZRQZCATLQKCZ-GFCCVEGCSA-N 303.393 5.082 30 10 DKEE C=CCC(CC=C)CCc1ccc(OC)cc1Br 2317235851 IQMDTERUAGWGBD-UHFFFAOYSA-N 309.247 5.159 30 10 DKEE C=CCC(CC=C)SC[C@H](N)c1cccc(Cl)c1Cl 2335095822 GHSKRPWVIXFBGR-AWEZNQCLSA-N 316.297 5.247 30 10 DKEE C#CC[C@H](C[C@H](NC)c1ccc(Cl)c(Cl)c1C)C1CC1 2364403876 AKABXAAGYGSAKS-CJNGLKHVSA-N 310.268 5.002 30 10 DKEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1C 2365085501 USWOEDVKRWZUNQ-DOMZBBRYSA-N 310.268 5.002 30 10 DKEE C=C(C)C[C@@H](CCCCC(F)(F)C(F)(F)F)NCCC 2368097129 CPINDQCUYOAJEJ-GFCCVEGCSA-N 301.343 5.079 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2 14475039 YZHDEBJQFFZIAQ-MZKRTTBSSA-N 322.411 5.538 30 10 DKEE Cc1cccn2c([C@H](C)C#N)c(-c3ccc(C(C)C)cc3)nc12 31915976 OVYNOIOVTWKDCS-OAHLLOKOSA-N 303.409 5.060 30 10 DKEE Cc1ccc(Cl)cc1Nc1ccc(C#N)c(C(F)(F)F)c1 37306423 GUPHUZIGLJSTDM-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCn1c2ccccc2c2cc(/C=N/Nc3ccccc3)ccc21 59518350 OJOHIPJLAFSLKT-PXLXIMEGSA-N 313.404 5.260 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)cc2Cl)CCCc2ccccc21 87930039 BQXVFEZBRNKSRO-SFHVURJKSA-N 316.231 5.334 30 10 DKEE Cc1ccc2c(c1)CCCN2CCCCCCCCCS 97799193 SFEOAVRZKUOBOV-UHFFFAOYSA-N 305.531 5.408 30 10 DKEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Oc1cccc3ccccc13)C2 100937310 ACDKSFHKOWXHQI-HRAATJIYSA-N 306.405 5.128 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(C#N)cc1 105508952 CXDIODUNQPFJPQ-UHFFFAOYSA-N 300.446 5.418 30 10 DKEE CCC#CCCc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1 107630596 RRXUCJVGTZELJZ-UHFFFAOYSA-N 300.486 5.636 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 109770740 FIMFLRRVQJSRSV-GFCCVEGCSA-N 321.814 6.520 30 10 DKEE CCCCCCC[C@H](C)NCc1cc(Br)cs1 112722333 RBFNOGOUEBXBAT-LBPRGKRZSA-N 318.324 5.349 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(F)cc(Br)c1 117662530 JXDREWAPMHNSQX-OAHLLOKOSA-N 316.258 5.339 30 10 DKEE CCCCCCCCC[C@@H](NN)c1ccc(F)c(Cl)c1 126216677 JJPDDMYASJONFW-MRXNPFEDSA-N 300.849 5.124 30 10 DKEE CCCCCCC[C@H](N)c1cc(C)c(Br)s1 126754393 RREUHAQXZCWYBH-NSHDSACASA-N 304.297 5.179 30 10 DKEE Cc1ccc(C#N)c(Nc2cc(Cl)ccc2Br)c1 131738173 IHWFFQQTTDSNNM-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCSc1cccc(O[C@H]2C[C@H](C)CC(C)(C)C2)c1C#N 136709117 OGVCVJKVUZFNMN-KBPBESRZSA-N 303.471 5.264 30 10 DKEE CC(C)(C#N)CCCCOc1c(Cl)cc(Cl)cc1Cl 232518242 BEFMEBXTYJXIER-UHFFFAOYSA-N 320.647 5.746 30 10 DKEE C=CCCCCC[C@@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 704402798 HVDXKMDJAOLNIO-QGZVFWFLSA-N 319.445 5.204 30 10 DKEE N#Cc1cc(C(F)F)c2sc(SC(F)(F)F)cc2c1 725291167 BTKXXNMEYJJCBN-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE Clc1cccc(C#Cc2c(Cl)cccc2Cl)c1Cl 1614825926 BJRNHNFJPGTWMK-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE C[C@H](N(Cc1ccccc1)[C@H](C)CC(C)(C)C#N)C(C)(C)C 1931998613 NCWOSAGPFPLZOZ-SJORKVTESA-N 300.490 5.252 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@](C)(C#N)CCC1CC1 1975842321 LWGPMDPJGGBGLN-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=CCCCCCC[C@@]1(N)CC(C)(C)[C@H]1OCc1ccccc1 1995173196 KOMHVBKAKLKHDL-TZIWHRDSSA-N 315.501 5.226 30 10 DKEE CCCCCCCC[C@H](CN)N(Cc1ccccc1)CC(C)C 1995334956 RMRKFHCCRDLWTI-OAQYLSRUSA-N 318.549 5.223 30 10 DKEE CCCCCCCCC[C@@H](NCC)C(F)(F)Br 2000354587 CEGLHVXFQOPXQH-GFCCVEGCSA-N 314.258 5.093 30 10 DKEE CC#CCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2075366815 FGKVOIXSNRQZSB-GFCCVEGCSA-N 305.632 5.264 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2081451885 KESJOLNVJQUMAA-AWEZNQCLSA-N 306.664 5.654 30 10 DKEE C=C(C)CC[C@@H](C)Nc1nccc2c(Br)cccc12 2096541731 FQTVYDBNEUHBCP-GFCCVEGCSA-N 319.246 5.154 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc(C)cc(Br)c2)C1 2125736687 XQWYXLQXCFRSKN-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE CCCCCCCC[C@H](NCC)c1sc(OC)nc1Cl 2164111661 XBXJXBORXGGREP-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1scc(C)c1Cl 2207433308 YIMKHWNNWFGACC-OAHLLOKOSA-N 314.922 6.440 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)cc(F)c1Cl 2231174237 IIXLYGNFFKAVRE-AWEZNQCLSA-N 306.252 5.754 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235753512 KXGMBDFDEQRLCL-CMPLNLGQSA-N 312.240 5.242 30 10 DKEE O[C@H](CCCC(F)(F)C(F)(F)F)c1cscc1C(F)F 2240402705 CGQSGJBNOKFIDB-MRVPVSSYSA-N 324.261 5.087 30 10 DKEE Cc1sc(CC=CC#CC(C)(C)C)c(Br)c1C 2248468847 SAMLOWYEWONCHW-UHFFFAOYSA-N 311.288 5.276 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(Br)c(F)c1C 2259185495 XRWBCDPADRRUBZ-CQSZACIVSA-N 315.226 5.067 30 10 DKEE C=CCCCS[C@H]1CCCCCC(F)(F)[C@H]1NCCC 2287062802 KBMCKBNHHXEUPC-GJZGRUSLSA-N 305.478 5.022 30 10 DKEE CCCCCCCCC[C@H](C)NCCCCCCSC 2295670710 IMJQEUGSPFYOCX-SFHVURJKSA-N 301.584 6.029 30 10 DKEE CC[C@H](C)c1ccc(O)c(N=Cc2cc(Cl)ccc2O)c1 2297708076 CANIIBAMLMDVPZ-NSHDSACASA-N 303.789 5.015 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)c1cccc(C(C)C)c1 2303663605 WPFKZVFFPOXBIZ-QFIPXVFZSA-N 323.480 5.234 30 10 DKEE SCCCCCCCOCc1cccc(Cl)c1Cl 2317167055 CPHBFYQWDSJUOW-UHFFFAOYSA-N 307.286 5.390 30 10 DKEE CCCCCCCC[C@](C)(SCCCSC)C(=O)O 2351910098 LUXDEWATOFEIOZ-HNNXBMFYSA-N 306.537 5.067 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 14551513 ZJWPSJXKQLJCAT-KNKQGSTJSA-N 317.432 5.468 30 10 DKEE Cc1ccn2c([C@H](C)C#N)c(-c3ccc(C(C)C)cc3)nc2c1 31915881 RJYPJCWKMVNXCO-OAHLLOKOSA-N 303.409 5.060 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)c(Cl)c1 36954192 WGGCSOPZSNKNFM-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1ccc(C)c([C@H](C#N)Cc2ccc(Cl)cc2Cl)c1 57737091 SNYDQHONYXSJGQ-AWEZNQCLSA-N 304.220 5.460 30 10 DKEE COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1C(C)C 83201575 QBYLNPGNQLAJEM-UXBLZVDNSA-N 314.812 5.368 30 10 DKEE CCCC(CS)(CCC)CO[C@@H]1C[C@H](C)CC(C)(C)C1 94583965 FEHNMNCIXIWDOF-JKSUJKDBSA-N 300.552 5.734 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OC[C@H](CS)C(C)C 94584409 FGZCVYCEHYULOF-CYBMUJFWSA-N 300.895 5.353 30 10 DKEE C[C@@H](Cc1cccs1)N(C)CCCCCCCCCS 97799515 WPJCYIYKQAYCBQ-INIZCTEOSA-N 313.576 5.271 30 10 DKEE CCCCCCCCCC[C@H](CN)Cc1ccccc1Cl 110181716 JFKHOQKFYNPCPH-KRWDZBQOSA-N 309.925 5.988 30 10 DKEE CCCCCCC[C@H](Nc1ccccc1Cl)C(=O)OCC 110319041 FANHJNPILFGWIB-INIZCTEOSA-N 311.853 5.044 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cc(C)cc(Cl)c1 122635072 OFEDKWNLPWBISC-SFHVURJKSA-N 310.913 5.684 30 10 DKEE CCCCCCCCCCNc1cccc(Cl)c1C(=O)O 129476187 JTZAUWVQPNITKF-UHFFFAOYSA-N 311.853 5.591 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(C)c(F)cc1Cl 156344203 BXBJEVRLLJJNPV-GOSISDBHSA-N 313.888 6.189 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(C)ccc1Br 229755260 JSIWAKBLKGFEQF-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=CCOC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 243262712 KTZXRNWQSNVFSB-UHFFFAOYSA-N 324.405 5.006 30 10 DKEE Cc1c(Cl)cc(N=C2N[C@H](C(C)C)CCS2)cc1Cl 690274058 BQMWUFULRIWIMO-ZDUSSCGKSA-N 317.285 5.040 30 10 DKEE CC[C@H]1CCCCC[C@]1(C#N)Nc1ccccc1Br 691072758 DCIXGQATXGPFTG-XJKSGUPXSA-N 321.262 5.114 30 10 DKEE CC(C)[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 698359766 QIODEMYOASEFEM-QFBILLFUSA-N 322.493 5.131 30 10 DKEE CCCCCCCCC[C@H](CCCOCc1ccccc1)NC 719126859 ACAFPLSNLPJLDX-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE CC[C@@H](C#N)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 725426112 LFBSIXBJDAEXMH-LBPRGKRZSA-N 305.299 5.515 30 10 DKEE Cc1ccc(/C(=N/OCc2cccc(Cl)c2)C2CC2)c(C)c1 821229516 RDPFZNSMYUOOLL-XUTLUUPISA-N 313.828 5.288 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ccc(Cl)cc1Cl 1920025631 KYASIJIRGPGVHL-QGZVFWFLSA-N 317.300 6.342 30 10 DKEE CCCCCCCCCCNc1cscc1Br 1926864875 HXPSKYGHIRMSAB-UHFFFAOYSA-N 318.324 6.063 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 1996470714 OIICUZJROQVMJU-XMSQKQJNSA-N 323.480 5.519 30 10 DKEE Cc1cccc(C[C@@]2(C#N)CCCC[C@@H]2C)c1Br 2027611311 PWQPUHSMOOVQBW-XJKSGUPXSA-N 306.247 5.020 30 10 DKEE C=C(C)C[C@H](O)c1ccc(-c2ccccc2Br)s1 2051372705 SATCGVBHGMSTIY-ZDUSSCGKSA-N 323.255 5.177 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc(Br)ccc2C)C1 2125729869 XLAUCTLMCAGOIH-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE C#CC[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CC1 2132064246 QNBPYDKCRMEXPY-ZANVPECISA-N 316.659 5.099 30 10 DKEE C=CC1(CN[C@H](C)c2ccc(C)c(Br)c2)CCCC1 2132981066 KNBDNWPBXJTNKQ-CQSZACIVSA-N 322.290 5.155 30 10 DKEE CCCC1CCC(C#N)(Cc2c(Cl)cncc2Cl)CC1 2149738072 KQWXHRBNELLSHU-UHFFFAOYSA-N 311.256 5.431 30 10 DKEE C=CCC[C@H](C)[C@H](CSc1ccccc1Cl)NCCC 2158320900 PEDQBTIDFAGPFL-HOCLYGCPSA-N 311.922 5.403 30 10 DKEE C=CCCCCCCNc1c([N+](=O)[O-])ccc(Cl)c1Cl 2159732290 POTZBTXSCQCCLI-UHFFFAOYSA-N 317.216 5.450 30 10 DKEE CC1(C)CCCC[C@]1(C=O)Cc1ccsc1C(F)(F)F 2173656661 UYCUDEJKAQSGDU-CQSZACIVSA-N 304.377 5.095 30 10 DKEE CCC(CC)(CC)CN(C)CCCCCCCCCS 2182324978 SKCCCCIPZQPSMZ-UHFFFAOYSA-N 301.584 5.795 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1ccc(SC)s1 2207442388 QNWQWXQTCGKBJO-HNNXBMFYSA-N 311.560 6.167 30 10 DKEE C=CCCCCCCCN(C)Cc1snc(Cl)c1Cl 2227278594 ANOQNNPMQMNSMN-UHFFFAOYSA-N 321.317 5.408 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(C(F)(F)F)ns1 2235541114 DWGITCMCXLCMSA-NSHDSACASA-N 307.381 5.112 30 10 DKEE CCCC1(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)CCC1 2235753715 MCRCDCGVIFEVEQ-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1ccc(Cl)c(F)c1 2240622430 SWOLXJINRPFJMY-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(C)c(Br)o1 2259196920 QYIBGOZNKPXADN-CYBMUJFWSA-N 314.267 5.138 30 10 DKEE C=C(C)CCCC[C@@H](Cc1ccc(Cl)cc1Cl)NC 2271781322 NKXHMKAOKRGMNC-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE C=C(C)CCCC[C@@H](Cc1cc(Cl)ccc1Cl)NC 2271840925 HMUUXSVHBPTVLH-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE COc1ccccc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2293108874 XUENGMINNLNGRC-UHFFFAOYSA-N 314.384 5.258 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1sccc1Br 2304025707 VIYPCEUYLPTMQK-KBPBESRZSA-N 316.308 5.154 30 10 DKEE CCC(=NOCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 2330246245 YFVYWXQGXIRGBY-UHFFFAOYSA-N 322.235 5.633 30 10 DKEE Cc1c(C)c(C2=CCCCCC2=O)c(C)c(C)c1Br 2348279691 AOAVKDPSWRSIEM-UHFFFAOYSA-N 321.258 5.209 30 10 DKEE CCCN[C@H](C#Cc1cccs1)c1cccc(Cl)c1Cl 2363537168 OMGOPYVAULPEJK-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE N#CC1(COCCCc2cc(Cl)cc(Cl)c2)CCCC1 2366932434 ODTZDSXQVFEWRY-UHFFFAOYSA-N 312.240 5.027 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1cccs1)[C@@H]1CC=C[C@H]21 14548840 WLVSSHGKUXNWSB-ZXYWRSMDSA-N 309.434 5.139 30 10 DKEE CC(C)(C)c1ccc(-c2nc(C3CC3)c(CS)s2)cc1 82436741 OHKOIOIHQKBZCP-UHFFFAOYSA-N 303.496 5.415 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2cccs2)cc1C(C)C 83192669 XFBNZZUZAGDGHX-CMDGGOBGSA-N 300.423 5.166 30 10 DKEE CCCCCCC[C@@H](C)N[C@@H](c1ccc(Cl)cc1)C(C)C 109810440 MZBOULCBEGJSMC-VQIMIIECSA-N 309.925 6.376 30 10 DKEE CCCCCCCCNc1ccc(SC(F)(F)F)cc1 109875461 KMFQOVLCSOQFGZ-UHFFFAOYSA-N 305.409 6.071 30 10 DKEE CCCCCCCC[C@H](CSc1ccccc1C)NCC 117437054 MNXSZFDFRVYWOO-GOSISDBHSA-N 307.547 5.816 30 10 DKEE CCCCCCCCCCNC[C@H]1Cc2ccccc2S1 129373943 MWGXBOXMVKDBNL-GOSISDBHSA-N 305.531 5.434 30 10 DKEE Cc1cc(Oc2ccc(C#N)c(Cl)c2)ccc1Br 157076641 WCEWXYZTLDHGGM-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC1(C)CCC(C#N)(Cc2cccc(F)c2Br)CC1 157842657 ITEVDMZXBJZYOL-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE C=CCc1cccc(Oc2cccc(CC=C)c2Cl)c1Cl 221265551 MVFQNQIMZSZINY-UHFFFAOYSA-N 319.231 6.243 30 10 DKEE CCCCCCCCCCCCCCCc1n[nH]c(=S)o1 221367751 WTYIOAUWDUVYPD-UHFFFAOYSA-N 312.523 6.366 30 10 DKEE COc1ccc(C=Nc2ccc(Oc3ccccc3)cc2)cc1 254704382 IVDHWKNCERDYOE-UHFFFAOYSA-N 303.361 5.238 30 10 DKEE Cc1scc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1C 399780362 UBXMXJHWCHUWHD-NSHDSACASA-N 324.232 5.162 30 10 DKEE CCCCCCC[C@H](N)c1ccccc1NC(=O)OC(C)(C)C 406713164 RRDMTLHOOXGZDK-INIZCTEOSA-N 320.477 5.394 30 10 DKEE C=C(C)CC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 407515850 KWVYOEZUHFONRF-CQSZACIVSA-N 324.852 5.043 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccccc1OCc1ccccc1 710602131 JJYLATZFDZXYMO-GOSISDBHSA-N 315.844 5.059 30 10 DKEE C=CCCCCCCOc1cc(Cl)ccc1Br 2026022849 YZMXRPZGUPJZMM-UHFFFAOYSA-N 317.654 5.618 30 10 DKEE CCCCCCCCNc1cccc(OC)c1Br 2046648871 NNACSSKAGFKHHF-UHFFFAOYSA-N 314.267 5.230 30 10 DKEE CCc1cc(OC(F)(F)F)cc(C(F)(F)F)c1C(F)F 2060351567 RFLHHHYGBZBNIH-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CCc1nc(Sc2ccc(Cl)cc2Cl)c(C#N)cc1C 2155473731 HJGJCJUBNPVDHY-UHFFFAOYSA-N 323.248 5.282 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(-c2cccs2)cs1 2164070987 VURQFWUTUFRBPI-OAHLLOKOSA-N 305.512 5.874 30 10 DKEE C=C(Cl)C[C@@H](CCCCCCCCCCCCC)NN 2177837040 ZWONTBUAARNNDM-QGZVFWFLSA-N 302.934 5.662 30 10 DKEE CCCCCCCCCCCCCCCC(=O)C=CCl 2203887240 SXYNZDWSNCYXQQ-UHFFFAOYSA-N 300.914 6.789 30 10 DKEE C=CCCCCCCCCC[C@@H](O)C(F)(F)C(F)(F)F 2207431543 GLRKVDWWAVXBIF-GFCCVEGCSA-N 302.327 5.242 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2220131606 RNJTZMNLLVMMTJ-CYBMUJFWSA-N 306.664 5.654 30 10 DKEE C=C[C@@](N)(c1ccccc1)c1cc(Cl)cc(Cl)c1Cl 2227332310 APJJVZKHIYQQFL-OAHLLOKOSA-N 312.627 5.035 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)s1 2234058222 QSNSVIBTRJDFDQ-GFCCVEGCSA-N 324.232 5.107 30 10 DKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)c1csc(Cl)c1 2239460417 AXGFBKRIIXCCLJ-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cnc(C(F)(F)F)s1 2240619214 COZJCLWHNDJXQZ-CYBMUJFWSA-N 309.397 5.120 30 10 DKEE CCCCCCCCOc1c(Br)cccc1C#N 2257493932 VRRMGEYSPDTNPP-UHFFFAOYSA-N 310.235 5.060 30 10 DKEE C#CCCCCCC(=O)c1cc(Br)cc(C(C)C)c1 2266011398 CSRUPHUTOLQDLB-UHFFFAOYSA-N 321.258 5.339 30 10 DKEE C=CCSc1ccccc1NC1CC(C[Si](C)(C)C)C1 2286289042 KZSQNCGXFYEOLB-UHFFFAOYSA-N 305.563 5.493 30 10 DKEE CC(C)C[C@@H](CS)CSc1cc(Cl)cc(Cl)c1 2308062462 POKURNPTUOAERD-JTQLQIEISA-N 309.327 5.678 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(F)c(Cl)c(Cl)c1 2352523117 DWNWZAHNPFYUIY-OAHLLOKOSA-N 306.252 5.667 30 10 DKEE N#Cc1ccccc1COc1cc(Cl)c(Cl)cc1Cl 5167908 UGJQCWWZGMQZAZ-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE N#CCCN(CCCCCCCCCS)c1ccccc1 97799192 VCQKHLJNCCXYMN-UHFFFAOYSA-N 304.503 5.067 30 10 DKEE CC(C)c1ccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)cc1 103029822 IUWIJSGKYGCPTP-YPKPFQOOSA-N 307.437 5.742 30 10 DKEE CCCCCCC[C@H](C#N)Nc1ccccc1Br 110029018 VSOXORONDIOIMI-CYBMUJFWSA-N 309.251 5.114 30 10 DKEE Cc1ccc(Nc2cc(Cl)ccc2C#N)cc1Br 110259370 REFHAMDIBSPWHA-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCC[C@H]1CC[C@@H](C#N)[C@H](N(Cc2cccs2)C(C)C)C1 110264258 SUGACOSGUKFIRI-XYJFISCASA-N 304.503 5.067 30 10 DKEE CCCCCCC[C@@H](CSc1cccc(Cl)c1)NCC 117527635 HVTBCZNFUNMISI-INIZCTEOSA-N 313.938 5.771 30 10 DKEE CCCCCCCCC[C@@H](NCCC)[C@H]1CSCCS1 124426633 LETXNAMHNTWSKB-IAGOWNOFSA-N 317.608 5.344 30 10 DKEE CCCCCCCCNCc1cc(Cl)c(N)c(Cl)c1 126997201 MDLOASATFPAWJB-UHFFFAOYSA-N 303.277 5.026 30 10 DKEE CCCCCCCCC[C@@H](O)c1csc(Br)c1 135349749 WUCLLFSHLFDNLK-CYBMUJFWSA-N 319.308 5.685 30 10 DKEE CC(C)N[C@@](C)(C#N)CCCCSCc1ccc(Cl)cc1 166192612 CYNHACDJVFUTQB-QGZVFWFLSA-N 324.921 5.024 30 10 DKEE O=C(C1=CCCCCCC1)c1ccc(F)cc1Br 236228336 VQSREMFJBNTFMT-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE CCCCCCCCOc1ccc(C=Nc2ccc(C)cc2)cc1 254349892 MGCXMLKZHSEMFY-UHFFFAOYSA-N 323.480 6.485 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)sc1Cl)C(F)(F)F 394118843 MJENPBRLBJHLDH-VIFPVBQESA-N 318.191 5.214 30 10 DKEE C=C(C)CCC(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 405904072 SHVVWWFVLIXXHC-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(NC(=O)OC(C)(C)C)cc1 407691639 OMUBYBQRFBYKAU-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698466525 VZJYJLRKKPPYFQ-MRXNPFEDSA-N 308.466 5.029 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccc(Br)s1 2005585502 GEFBXFGRJLZYHI-CQSZACIVSA-N 312.276 5.163 30 10 DKEE CCCCCCCN1CCCc2ccc(Br)cc21 2028509613 OLDIFTKWZLKFPQ-UHFFFAOYSA-N 310.279 5.172 30 10 DKEE C=CC[C@@H](C)C[C@@H](NCCC)c1ccccc1Br 2050513205 MXWQFCSLWXTCKP-CZUORRHYSA-N 310.279 5.092 30 10 DKEE CCCCCCCCC[C@H](NC)c1nn(C)c(Cl)c1Cl 2150717781 WJFXCFAYUPSCOX-LBPRGKRZSA-N 320.308 5.128 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc2sc(C)cc2s1 2156565107 PBUNQOBPKWSIJQ-CQSZACIVSA-N 310.528 6.445 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cscc2C(F)(F)F)C1 2157159035 CNWQSWCZPOIIRY-SMDDNHRTSA-N 301.377 5.420 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1ccc(SC(F)(F)F)cc1 2164258502 VJJNZXDLSPVNEM-SMDDNHRTSA-N 303.393 5.161 30 10 DKEE O=C[C@@]1(Cc2ccc(Cl)cc2Cl)CCCCC12CCC2 2173672098 DGECBEGVUPATDB-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE CCCCCCCCCN1CC[C@H](P(C)(C)=O)C1(C)C 2195535641 RFCVGMUCNSVJBU-INIZCTEOSA-N 301.455 5.213 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2236298332 CYACYLGKPGSCSQ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE N#C[C@@]1(CCCC(F)(F)C(F)(F)F)CCCC(F)(F)C1 2240429721 PXSIQBWHWNOFTL-SECBINFHSA-N 305.237 5.074 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1c(F)cccc1Cl 2240621081 CMZQVECXDBUSGR-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE CCCCCC[C@H](C)Oc1c(Br)cccc1C#N 2257504519 QJURWJLZMFQSKE-LBPRGKRZSA-N 310.235 5.058 30 10 DKEE CC(C)c1cc(Br)cc([C@@H]2CCC[C@H](CC#N)O2)c1 2266017129 FXJWBICJBWLNCK-CVEARBPZSA-N 322.246 5.096 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)C[C@@H]1CC[C@@H](C)C1 2284000356 QKILHOPNBMWHKA-HLIPFELVSA-N 301.540 5.610 30 10 DKEE C=CCCCCCCCSc1ncc(CNCCC)s1 2287063663 SNUMXHNZTYQQPS-UHFFFAOYSA-N 312.548 5.261 30 10 DKEE C=CCCCCCCCSc1c(Cl)cccc1CCN 2287083331 JGQLZOQIJDTKOA-UHFFFAOYSA-N 311.922 5.460 30 10 DKEE C=CCCCCCCCS[C@H](c1sccc1C)[C@H](C)N 2287096097 HHIPYJKJBGVXOY-RDJZCZTQSA-N 311.560 5.705 30 10 DKEE COc1ccc(C=CC(=O)c2ccc(C)c3ccccc23)cc1 2295967961 PCQKFDAVXWSHRQ-UHFFFAOYSA-N 302.373 5.053 30 10 DKEE O=C(C=Cc1ccccc1)C=Cc1ccc(-c2ccccc2)cc1 2296887263 GOFPAMAIGLQTMP-UHFFFAOYSA-N 310.396 5.649 30 10 DKEE CCCCCCCCCOc1ccc(C=NN(C)C)cc1Cl 2322999703 XKKWHKOSCDPJHX-UHFFFAOYSA-N 324.896 5.365 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1c(C)cccc1Br 2338739714 YJYQNXJXBHHKFH-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE C=CCCC[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2338896741 ZLAUNGVYQKJOKD-AWEZNQCLSA-N 300.273 5.179 30 10 DKEE CCCCCCC[C@H](N)Cc1cc(F)c(Cl)cc1Cl 2349876355 QXXBEPKQDSEXIG-LBPRGKRZSA-N 306.252 5.363 30 10 DKEE C=CCCCCCC[C@@H](O)c1c(Cl)cc(C)cc1Cl 2353087194 ZMGQKNJTUQUKFB-OAHLLOKOSA-N 301.257 5.862 30 10 DKEE C=CC[C@@H](C)SC[C@H](NC)c1ccc(Cl)c(C)c1Cl 2353130564 YKPAAHIVWDILTN-YGRLFVJLSA-N 318.313 5.260 30 10 DKEE C#Cc1ccccc1N[C@@H](CC)c1ccc(Cl)cc1Cl 2365449745 FRQSKJOMNIWKSQ-INIZCTEOSA-N 304.220 5.538 30 10 DKEE N#CC1(Cc2cc(F)c(Cl)cc2Cl)CCC(F)(F)CC1 2377279312 ZJCXOJQUYQTIDZ-UHFFFAOYSA-N 322.157 5.394 30 10 DKEE Cc1cc(SCc2ccccc2C#N)nc2c(C)cccc12 5230869 RPJUJOFEWGRBSS-UHFFFAOYSA-N 304.418 5.016 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1c(Cl)cccc1Cl 36954367 QMGOXABNWJOOLN-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=CCc1cc(C(C)(C)CC)cc(C=O)c1OCc1ccccc1 66117881 NZJGLANSZDOKNO-UHFFFAOYSA-N 322.448 5.494 30 10 DKEE CCCCCOc1ccc(CCCNc2cccc(C#N)c2)cc1 76317736 MRMFAHLBSHKZHE-UHFFFAOYSA-N 322.452 5.172 30 10 DKEE CCCCCCCC(=O)c1ccc(OC)cc1Br 102940921 OECXASKJBZSKME-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CCCCCCCCCC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 115654547 VVLNNSSZBUGUEV-CVEARBPZSA-N 308.428 6.001 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Cl)c(Br)c1 125464858 GHLSOFWWMJFKCX-CQSZACIVSA-N 319.670 5.496 30 10 DKEE CCSc1cccc(Nc2cccc(Cl)c2C)c1C#N 136606808 RIBGECDROWHFOS-UHFFFAOYSA-N 302.830 5.376 30 10 DKEE CCSc1cccc(Oc2ccc(Cl)c(F)c2)c1C#N 136723581 CHSWXEDLULOHHO-UHFFFAOYSA-N 307.777 5.255 30 10 DKEE CCCCCCCCCC[C@H](NCCC)[C@@H]1CCCCS1 157790617 KTVRGZRTRXOVMR-OALUTQOASA-N 313.595 6.171 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)cc1Cl 160497368 RMGYOIWRLXGQOQ-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccccc1C(C)=O 203543385 NFVPIKRTPUTEND-UHFFFAOYSA-N 317.473 5.749 30 10 DKEE Cc1cc([C@@H](CC#N)C2CC2)cc(C)c1OCc1ccccc1 260429983 GVSZJHRMQCPQKH-FQEVSTJZSA-N 305.421 5.290 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H]1CCCSC1 380043130 NZJNCTWRNAXMCI-ZWKOTPCHSA-N 300.552 5.802 30 10 DKEE CCCCCCC[C@@H](N)c1cccc(Cl)c1C(F)(F)F 382367057 YEFOMEHXSONSAE-CYBMUJFWSA-N 307.787 5.719 30 10 DKEE CCCCCCCCCCCC[C@H](O)C1(SC)CCC1 383369052 MWZGPQUPPADLND-KRWDZBQOSA-N 300.552 5.944 30 10 DKEE CCCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 384393980 BZYIRKLPBUYFRD-XUVXKRRUSA-N 312.501 5.253 30 10 DKEE N#C[C@@H](C(=O)c1cc2cscc2s1)c1ccccc1Cl 694330965 KGBZUKGOXBOFJG-LLVKDONJSA-N 317.822 5.106 30 10 DKEE C=CCCSCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 696058221 HVIWVIQVOUWLQL-JTQLQIEISA-N 322.276 5.092 30 10 DKEE CCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698379871 IHMOUFBAFQJBPF-QGZVFWFLSA-N 322.493 5.419 30 10 DKEE CCC[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698918060 BXKYNDYZEQCVSA-RDJZCZTQSA-N 316.445 5.065 30 10 DKEE CC(C)C[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 710782865 KTSFFVXISGPZTB-NVXWUHKLSA-N 316.445 5.002 30 10 DKEE C=C1CCC(CNCc2cc(-c3cccs3)cs2)CC1 724447256 SMHDQZDEZQKWTK-UHFFFAOYSA-N 303.496 5.313 30 10 DKEE CC[C@H](C)c1ccc(N=Cc2c(C)n(C)c3ccccc23)cc1 1084359238 ZKDLPQWKZKRDLR-HNNXBMFYSA-N 304.437 5.751 30 10 DKEE CC(C)(C)C1=CC(=CN=Nc2ccccc2)C=C(C(C)(C)C)C1=O 1772719594 CFYJFPMTCPPAJI-UHFFFAOYSA-N 322.452 6.182 30 10 DKEE O=C(CCCc1ccc(Cl)cc1)ON=C1CCCCCCC1 1860820279 HHDPCINXFFAQEY-UHFFFAOYSA-N 321.848 5.306 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(C)cc1CNCCC 1914938310 BHVXJDZIUNVXNH-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC)CCCC 1922079918 JPWWJLJDAUKEHB-RTWAWAEBSA-N 317.517 5.344 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccccc2F)s1)[Si](C)(C)C 1922989283 OFUCOPMWLQZXLX-MRXNPFEDSA-N 306.478 5.021 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1scc(C)c1Br 1950857246 VEIDJEUTTNUREX-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=C(C)CCCN[C@@H]1CCC(C)(C)C[C@@H]1OCc1ccccc1 1977490735 VWOFSWWABIFQNY-UXHICEINSA-N 315.501 5.096 30 10 DKEE CC#CCCCCC(=O)c1cccc(OCc2ccccc2)c1 1990985151 BXXBQWDKYNQPFC-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Br)sc1C 2026021198 GLXLLFQDNCJGSD-CYBMUJFWSA-N 316.308 5.345 30 10 DKEE C=C([C@@H](NCC)c1cc(C)ccc1Br)C(C)(C)C 2035417699 IPBBIKUINFVBPZ-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE N#C[C@]1(Cc2cc(Cl)ccc2Br)CCC12CCC2 2047956565 PRDGIDQBJGFZTP-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2snc(Cl)c2Cl)C1 2048350915 FBQRQDKFXMAASX-ZANVPECISA-N 303.258 5.103 30 10 DKEE CCCC#CC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2083434949 WXOYANXVLDHWCC-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE Cc1cc(C#N)c(Sc2cc(Cl)ccc2Cl)nc1C 2099252575 GMEFFJYNIRBQRY-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE CCC1(C)CCC(C#N)(Nc2ccc(Br)cc2)CC1 2114874770 PNNPBAHGFSSRRA-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2116655158 BCNUTQSAMMXFGP-WFASDCNBSA-N 300.273 5.116 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1cc(Cl)ccc1Cl 2127974785 XSRJGEBLGRMKBB-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE CC[C@@](C#N)(C(C)C)[C@@H](O)c1cc(-c2cccs2)cs1 2184377332 HJUYWKBVICIMOE-JKSUJKDBSA-N 305.468 5.086 30 10 DKEE C#C[C@H](N[C@@H](CC)c1ccc(Cl)cc1Cl)C1CCCC1 2204043281 GHWFBZFHKUSZEV-IRXDYDNUSA-N 310.268 5.226 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc2sccc2s1 2205535019 VOYZWNKCHAVTTF-MRXNPFEDSA-N 310.484 5.316 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(-c2cccs2)s1 2205863652 FZEFIGJKHSFYHI-GUYCJALGSA-N 305.512 5.730 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1 2227287444 LOAXMBBCFLGDFE-MRXNPFEDSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCC[C@H](NCC)[C@@H]1SCCS[C@@H]1C 2235518747 JKNMQPVXJNCIJB-IXDOHACOSA-N 315.592 5.118 30 10 DKEE N#Cc1cc(F)c(Cl)cc1SCCCCCCC1CC1 2239340639 RNGGSFZWDCEMCD-UHFFFAOYSA-N 311.853 5.803 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(Cl)c(Br)c1 2250181676 PYZCTMZUNCEYED-CQSZACIVSA-N 317.654 5.272 30 10 DKEE C=C(C)CCCCNCCc1cccc(OCc2ccccc2)c1 2250191053 UIHSTOCMUYYROB-UHFFFAOYSA-N 323.480 5.144 30 10 DKEE C=CCCS[C@H]1CCCCCCC(F)(F)[C@@H]1NCCC 2287197589 CCXKRJBGJXVZFX-LSDHHAIUSA-N 305.478 5.022 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2ccc(C(F)(F)F)s2)CC1 2295001564 NTUDSKZTLRVRJC-SNVBAGLBSA-N 302.361 5.332 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(Cl)cc1C(F)(F)F 2297630831 OUNKRLXOYXZMEO-UHFFFAOYSA-N 310.702 5.255 30 10 DKEE C=CCN(C)CCC=C1c2ccccc2CSc2ccccc21 2297730468 MPGPLWGAOFVVRH-UHFFFAOYSA-N 321.489 5.232 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(Br)c1Cl 2304122937 QKCLZBHWJDWSHE-UONOGXRCSA-N 317.654 5.128 30 10 DKEE Cc1ccc(C(=NOCCCc2ccccc2)C2CC2)c(C)c1 2330317012 KRERBXAMPVGHLD-UHFFFAOYSA-N 307.437 5.067 30 10 DKEE C=CC1(CNCc2ccc(Cl)c(Cl)c2C)CCCCC1 2364217562 APENFWGNNXVUSY-UHFFFAOYSA-N 312.284 5.528 30 10 DKEE CC1(C)CCC[C@]1(C=O)CCCc1cc(Cl)cc(Cl)c1 2366848989 SXYPYHLJWWZRQC-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Sc1ccc(F)c(F)c1 36962155 BABZSDGFZBSGAL-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE Cc1ccc(C)c(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)c1 37344145 SOEQZHILPUBUKS-CYBMUJFWSA-N 318.203 5.100 30 10 DKEE Cc1ccccc1[C@@H](C#N)CCOc1ccc2ccccc2c1 57687068 GFXSUUPLOBCKLX-LJQANCHMSA-N 301.389 5.225 30 10 DKEE COc1ccccc1/C=C/C(=O)c1ccc(C)c2ccccc12 83204438 UDPPJQQPXQQWRP-WYMLVPIESA-N 302.373 5.053 30 10 DKEE CC(C)(C)[C@H]1CCC[C@](C#N)(Nc2ccccc2Cl)CC1 86959675 RRZYCZRFDICIOT-KSSFIOAISA-N 304.865 5.641 30 10 DKEE CC(C)(C)[C@H](CS)COc1ccc(-c2ccccc2)cc1 94582722 XPVVXRCJSCQGMF-KRWDZBQOSA-N 300.467 5.325 30 10 DKEE CCCCCCCCO[C@@H](c1ccc(Cl)cc1)[C@@H](N)CC 109988896 GKCOFRXIASJPTG-ROUUACIJSA-N 311.897 5.496 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(Br)s1 160805560 VHCPDGPGTAGTSN-LBPRGKRZSA-N 318.324 5.522 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccc(Cl)cc2)C1 165995576 BDWAOVGOBGMGHU-ZMSDIMECSA-N 321.917 5.928 30 10 DKEE CC(C)(C)c1ccc([C@H](C#N)Nc2cccc(Cl)c2)s1 166124101 JCVDYHXMYIKMHE-ZDUSSCGKSA-N 304.846 5.376 30 10 DKEE Cc1cc(C)c(C)c(Oc2ccc(C#N)cc2Br)c1 213209111 NWTJFZZEMJPZRL-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(C)c(Br)c(C)c1 228393405 LDODWXKZJJRTBL-INIZCTEOSA-N 324.306 5.463 30 10 DKEE Cc1ccc(Oc2ccc(Br)cc2C#N)c(Cl)c1 229180769 LFRSTFGNEONUAF-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC(=O)c1cccc(N=Cc2c3ccccc3cc3ccccc23)c1 252640389 YSWOOYSTRIYHND-UHFFFAOYSA-N 323.395 5.946 30 10 DKEE CCOc1ccccc1N=Cc1c(OCC)ccc2ccccc12 254417081 PXXPULUJWNFQTA-UHFFFAOYSA-N 319.404 5.388 30 10 DKEE C=CCCCC(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 405867077 GNGNCGZTLRYCDH-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE N#Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 514261072 KXQAIRWXGZUIRN-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(Br)c(C#N)c1 691102372 ORMREVIXCJVDPD-LRDDRELGSA-N 321.262 5.092 30 10 DKEE CCCCCCCOCc1ccc(Br)c(F)c1F 701334961 CPBHMMPKFFJOAJ-UHFFFAOYSA-N 321.205 5.214 30 10 DKEE C[C@@H](CCC#N)n1ccc2cc(OCc3ccccc3)ccc21 720872040 YIAZFDCTBJSBET-INIZCTEOSA-N 304.393 5.085 30 10 DKEE CCCCCCCCCCNC(=O)C(C)(C)c1ccccc1F 1866207059 ZQGISNOBECNFEF-UHFFFAOYSA-N 321.480 5.360 30 10 DKEE C=C[C@@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C1CCC1 1892931673 ARESUZNIIYDPQL-BJOHPYRUSA-N 302.220 5.138 30 10 DKEE CCCCCCCCCCC(=O)CCCNCc1ccccc1 1915244238 HMDWGHRQDOZCRT-UHFFFAOYSA-N 317.517 5.656 30 10 DKEE C=C(Br)CCNc1cc(Cl)c(C)c(Cl)c1 1959680336 DRNBRIMUAHIEGA-UHFFFAOYSA-N 309.034 5.012 30 10 DKEE CCCC(CCC)[C@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 1961604052 JAIWTGLJNCVTLY-HOCLYGCPSA-N 310.482 5.131 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2scc(Cl)c2Cl)CC1 2061178365 KYUVLGIOGZXWEN-SECBINFHSA-N 303.254 5.620 30 10 DKEE CCCCCC#CCOc1cc(C)c(Br)c(C)c1 2083488941 CUZKWQOPXAQVPN-UHFFFAOYSA-N 309.247 5.028 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Br)cc1 2085842501 RLFUKNSXZMUCIV-INIZCTEOSA-N 310.279 5.366 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(Cl)c(F)c1F 2176954509 RMKHLIMWUTXVOO-LBPRGKRZSA-N 303.824 5.629 30 10 DKEE CCCC#CC[C@@H](NCCC)c1csc(C(F)(F)F)c1 2203793382 UOUHMXOGIWVNIK-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccccc1CN[C@H](C)CC 2217116877 PXDKLYZVIPVSSO-LJQANCHMSA-N 322.496 5.157 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc(Cl)c(Cl)c1 2231509676 GTRPVJRHWBWTPZ-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CCC(=CC(=O)c1sc(Br)c(C)c1C)CC 2243084976 QXPJTELDGWDPHG-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE CCCCCCSc1cc(Br)cc(F)c1C#N 2253000556 GJYDRGDRMAASEQ-UHFFFAOYSA-N 316.239 5.132 30 10 DKEE C=CCC[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2254738848 KWDDJHTYAGQGRH-MRXNPFEDSA-N 310.279 5.189 30 10 DKEE CC(C)(C)C(Nc1cccc(Br)c1C#N)C(C)(C)C 2266824107 MXAJUJVRVQYOKV-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE C=CCCCSC[C@H](NC)c1cc(Cl)cc(Cl)c1F 2271493190 UMZQUNKGWWIEPF-ZDUSSCGKSA-N 322.276 5.092 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Cl)ccc1OC(F)F 2287380791 WMXWQTOBDOUAEK-UHFFFAOYSA-N 302.748 5.261 30 10 DKEE COc1ccccc1C=CC(=O)c1c(C)ccc2ccccc12 2295967965 PNQDLEJUSRDGOX-UHFFFAOYSA-N 302.373 5.053 30 10 DKEE O=C(/C=C\c1ccc(Cl)cc1Cl)c1cc2ccccc2o1 33771074 RZQRXGYIUWQGOD-VURMDHGXSA-N 317.171 5.636 30 10 DKEE Cc1cccc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)c1C 36931108 YVAPLIYAKBAFRQ-OAHLLOKOSA-N 318.203 5.100 30 10 DKEE CCCCCCCCCCCCOCn1cnc2ccccc21 103005521 NJPQTYUAYCCQOQ-UHFFFAOYSA-N 316.489 5.931 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)ccc1C(=O)OC 109785774 VUPFQDRQXMRVEQ-CYBMUJFWSA-N 311.853 5.288 30 10 DKEE CCCCCCCCCCCCOc1cc(Cl)ccc1C 116069127 ZOWBKNZLDPADJQ-UHFFFAOYSA-N 310.909 6.948 30 10 DKEE CC(C)=C1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118919508 NWHGLVFSMBKWMI-QCKZIWOPSA-N 314.513 5.935 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(Br)o1 124967080 KWSXANSPGJDIKD-LBPRGKRZSA-N 302.256 5.183 30 10 DKEE CCCCCCCCCCCCCCCCn1nc(C)cc1C 143868252 CXLQVJKUUGHVAQ-UHFFFAOYSA-N 320.565 6.981 30 10 DKEE C=CCCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccccc1 220248773 GZYQJVICGNRQEL-INIZCTEOSA-N 303.446 5.341 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(C(F)(F)F)cc1Cl 642882726 BEFXHNJVUZYPSB-TWGQIWQCSA-N 310.702 5.255 30 10 DKEE Fc1c(SC(F)(F)F)ccc2scc(C(F)(F)F)c12 725305172 QOOGZBFKRFQQEE-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CCc1ccccc1C#Cc1cc(Br)ccc1Cl 725426542 YDOIJLBQDOLOBJ-UHFFFAOYSA-N 319.629 5.065 30 10 DKEE CCCCCCCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 1866089972 SBYBVLZFSNOCFN-QGZVFWFLSA-N 315.501 5.493 30 10 DKEE CC[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871421484 PHGQTRZQURCXQK-VUQQOUJSSA-N 322.404 5.097 30 10 DKEE C=C1CCCN(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 1889224009 RBHUNZWDJZASHM-UHFFFAOYSA-N 313.485 5.074 30 10 DKEE CCCCCCC[C@@H](N)c1sc(Br)cc1C 1939450787 LBGXKWZURZYTTG-LLVKDONJSA-N 304.297 5.179 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 1947381023 IMLHDOQKWYJDAM-MOPGFXCFSA-N 323.480 5.661 30 10 DKEE C=CCCCCC[C@H](N)c1cccc(Cl)c1Br 1948979277 JWNOVDWEIOAZMM-ZDUSSCGKSA-N 316.670 5.239 30 10 DKEE O=C(C=Cc1ccccc1C(F)(F)F)c1cc2ccccc2o1 2040458507 XOGRLURMIBNFLC-UHFFFAOYSA-N 316.278 5.348 30 10 DKEE Cc1ccc([C@@H](C)n2nc(C3CCCCC3)cc2C#N)cc1C 2070091956 PCTVHWOTNWHBCR-MRXNPFEDSA-N 307.441 5.029 30 10 DKEE C[C@H](CC1=CCCCC1)Nc1ccc(Br)cc1C#N 2105125423 MWXWMCCFVJRXIH-GFCCVEGCSA-N 319.246 5.012 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1cc(Cl)ns1 2142448833 SRDBSONYOUHXRP-CYBMUJFWSA-N 300.899 5.493 30 10 DKEE N#C[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCC2(CCCC2)C1 2155222762 JZWLGRKOTUCUOH-UONOGXRCSA-N 308.252 5.961 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cccc(SC(F)(F)F)c2)CC1 2181246108 FBKZVTUZFDOULW-SNVBAGLBSA-N 300.345 5.228 30 10 DKEE N#C[C@]1(CCc2cc(Cl)cc(Cl)c2)CCCC(F)(F)C1 2184862149 SFOPOEAISOKATC-AWEZNQCLSA-N 318.194 5.645 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cnc(C(F)(F)F)s1 2235512856 GNHKTHUUKDTWBT-LLVKDONJSA-N 306.397 5.078 30 10 DKEE C=CCCCCCCC[C@H](O)c1cscc1C(F)(F)F 2235533783 CRMWIYVNVUOLOV-AWEZNQCLSA-N 306.393 5.717 30 10 DKEE CCCCCCCCCCNc1c(N)ccc(F)c1Cl 2235767087 ODAKFROZGDNDNJ-UHFFFAOYSA-N 300.849 5.614 30 10 DKEE C=CCCCCCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 2236307132 OUPIDTDCUPIEOQ-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE CCCCCCCCCCCCOC(=O)[C@@H](C)[C@H](C)S 2239493589 UNZMXGBNTFBKKH-HOTGVXAUSA-N 302.524 5.405 30 10 DKEE C=C(C)CCOc1c(Cl)cc(Cl)cc1CN[C@H](C)CC 2240230681 QLTLPLMVSLNYLR-GFCCVEGCSA-N 316.272 5.227 30 10 DKEE C=C(C)CN(CCCCCCCCCCO)Cc1ccccc1 2244425471 ULXRTUKWLBKHRX-UHFFFAOYSA-N 317.517 5.178 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1C 2264375368 REGJAPHJOASDIT-MRXNPFEDSA-N 302.289 6.052 30 10 DKEE CC(C)C(C)(CNc1c(Br)cccc1C#N)C(C)C 2269691706 XZOLAWVQRBOSOQ-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE Cc1ccc(C(=NOCCCc2ccccc2)C2CC2)cc1C 2330297053 CIFHROQCZDEMEE-UHFFFAOYSA-N 307.437 5.067 30 10 DKEE C#Cc1ccccc1NCc1c(Cl)ccc(Cl)c1Cl 2339966893 YIKXEGKYMQGUDI-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE C=CCC(C)(C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2344359212 XQLDJWYAHVLJLY-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Cl)ccc1Cl 2365093942 RINIUZGALABPHR-BLLLJJGKSA-N 310.268 5.084 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)ccc1Cl 2365093945 RINIUZGALABPHR-WBMJQRKESA-N 310.268 5.084 30 10 DKEE N#Cc1ccccc1N[C@H](Cc1cccs1)c1cccs1 37203117 XAOYLMANMAJJJM-MRXNPFEDSA-N 310.447 5.077 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(C(=O)OC)ccc1Cl 59451557 VPYRHYSXRSBYCQ-ZDUSSCGKSA-N 311.853 5.288 30 10 DKEE C=C(C)COc1ccc2ccccc2c1CNCc1cccs1 66116064 FQMDKBNWZFGPNV-UHFFFAOYSA-N 323.461 5.146 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Cl)c2cccnc12 109901442 URMALQBBHHDKPI-CQSZACIVSA-N 304.865 6.049 30 10 DKEE Cc1ccc(Br)cc1Nc1ccc(C#N)cc1Cl 110254514 SYSYLIQVRHBEOB-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCSc1cccc(CNCC(C)C)c1 117892603 AVXZXDIYIQXFIT-UHFFFAOYSA-N 307.547 5.885 30 10 DKEE C/C(=N\O)c1ccc(C)cc1OCc1c(Cl)cccc1Cl 215506505 VIMHEKQJOUQSNO-YBFXNURJSA-N 324.207 5.079 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc3ccccc3s2)C1 222236006 QMBSJXPXPRBNOB-IOASZLSFSA-N 316.495 5.497 30 10 DKEE C=CCC[C@H](C)N[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 227761330 STFJJKDJCULCQP-GJZGRUSLSA-N 318.461 5.039 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)cc2c1OCC2 228476420 VPLNZQRTBDZYDI-KRWDZBQOSA-N 309.881 5.286 30 10 DKEE CCCCCCCCCC[C@H](NN)c1scc(C)c1Cl 232916894 OCEKNPRPRIZPAE-AWEZNQCLSA-N 316.942 5.745 30 10 DKEE CCCCCCCC[C@@H](N)c1cccc(C)c1Br 232955719 AIMQLJKPVQMLHR-OAHLLOKOSA-N 312.295 5.508 30 10 DKEE N#CC1(COc2c(Cl)cc(Cl)cc2Cl)CCCC1 405127519 LTFVQUXCVQDTEW-UHFFFAOYSA-N 304.604 5.110 30 10 DKEE CC(C)[C@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C(C)C 698401167 SLZXXOLZDQECLU-APWZRJJASA-N 322.493 5.131 30 10 DKEE CC[C@@H](C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698422324 BSYXOWLKPKJACF-ZBFHGGJFSA-N 316.445 5.065 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](C(C)(C)C)CC1 698971051 XXKAWSZLUKMRBG-DNVCBOLYSA-N 322.493 5.132 30 10 DKEE Clc1cccc(NN=Cc2cccc(Oc3ccccc3)c2)c1 1084125934 IBHFBAJBXWNLBX-UHFFFAOYSA-N 322.795 5.578 30 10 DKEE CCCCCCCCCCCC[N@@+](C)(N)Cc1ccccc1 1614678424 SWJAQHXVMGDDJZ-JOCHJYFZSA-N 305.530 5.428 30 10 DKEE CCCCCCCCNC(=O)C1(c2ccccc2)CCCCC1 1866221849 MFIZARSQMLZNBS-UHFFFAOYSA-N 315.501 5.365 30 10 DKEE CCCCCCCCCOC[C@@H](NCc1ccccc1)C(C)C 1915167355 NVHKSTIKQSAHMC-OAQYLSRUSA-N 319.533 5.568 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cc(Br)cs1 2026017382 NLTPMTTWWMJUSF-AWEZNQCLSA-N 316.308 5.211 30 10 DKEE C[C@@H]1C[C@@](C=O)(CCc2cc(Cl)cc(Cl)c2)CCS1 2103460113 SUCCBWAEOYBYOY-IAQYHMDHSA-N 317.281 5.027 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C=O)CCCCC1(C)C 2117030006 NQUVVLXJJRGWQJ-KRWDZBQOSA-N 323.274 5.086 30 10 DKEE C#CC1(CN[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)CCC1 2125912612 SYESRIDGRLAQON-JTQLQIEISA-N 316.659 5.101 30 10 DKEE C=C([C@H](N)c1ccc(-c2cccc(Cl)c2)s1)C(F)(F)F 2163999075 MZPQQCKPVLMCOC-ZDUSSCGKSA-N 317.763 5.187 30 10 DKEE Cc1cc(Cl)cc(Cl)c1N[C@H](C)c1cccc(C#N)c1 2201072351 ITSXYLLIJCTYMF-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)c(F)cc1Cl 2204265293 PZWCJDRZLBZUQJ-MRXNPFEDSA-N 320.279 6.144 30 10 DKEE C=CCCCCCCCCC(=O)[C@H]1SCCS[C@H]1CC 2207410665 AKGYQKUWHWCITC-DLBZAZTESA-N 314.560 5.490 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@H](O)c1cscc1Cl 2207433754 AMCZFSFREUPPKV-HZPDHXFCSA-N 315.910 5.069 30 10 DKEE C=CCCCCCCCCC[C@@H](CCCCSC)NN 2207441767 KQSJDQNKUPDGHK-KRWDZBQOSA-N 300.556 5.049 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(C)ccnc1Br 2219980167 DRHGILZCQUJFMQ-CYBMUJFWSA-N 313.283 5.313 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(C)c(Br)c1 2227286232 HMMXOXFEGRPVNS-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE N#CC1(c2cccc(Cl)c2Cl)CC(c2ccccc2)C1 2235756205 INGSLEVNFBKWQH-UHFFFAOYSA-N 302.204 5.332 30 10 DKEE C=C(C)CCCCNc1cc(Br)ccc1Cl 2244652537 KJKHCCQBKXYEQX-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(C)c(Br)c1C 2259182484 INFMSQJQANPGAG-HNNXBMFYSA-N 311.263 5.236 30 10 DKEE CCCCCCC[C@H](NCCC)c1csc(Cl)c1OC 2284285833 NFURZLGVSUNVJP-AWEZNQCLSA-N 317.926 5.811 30 10 DKEE CC1(CSc2ccc(C#N)cc2Cl)CC(C(F)(F)F)C1 2287313279 JTWFYTXVKHDYIF-UHFFFAOYSA-N 319.779 5.282 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cccc(Cl)c1Br 2304026076 YDASINWRZACIOV-UONOGXRCSA-N 316.670 5.095 30 10 DKEE CCCOc1c(Cl)cc(C=NNc2ccccc2)cc1Cl 2322922417 IQXANTOHIAGVST-UHFFFAOYSA-N 323.223 5.228 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(C(C)C)cc1 2330453994 KNINRPWBJJTRKN-UHFFFAOYSA-N 323.480 6.048 30 10 DKEE CCCC(CS)(CCC)CSC[C@@]1(C)CCCOC1 2344967349 DISYJOZKEABFBU-HNNXBMFYSA-N 304.565 5.053 30 10 DKEE CC(C)(C)c1ccc(OCc2ccc(C#N)cc2)c(C(C)(C)C)c1 11834270 HYUNERZTRMNRCM-UHFFFAOYSA-N 321.464 5.732 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(F)cc2Br)C1 87972675 RTDZYKKOTASVNC-WBMJQRKESA-N 324.237 5.241 30 10 DKEE CCCC(CS)(CCC)COc1c(C)cc(Cl)cc1C 94583455 XKYIJGKXWAVXIQ-UHFFFAOYSA-N 314.922 5.852 30 10 DKEE CCCOc1ccccc1OCCCCCCCCCS 97799687 CHAPPJGSKKDVIG-UHFFFAOYSA-N 310.503 5.515 30 10 DKEE Cc1ccc(Cl)cc1N/C=C\C(=O)c1ccc(C(C)C)cc1 103030000 OMIGWEJMKATLQI-KHPPLWFESA-N 313.828 5.580 30 10 DKEE CCCCCCCC[C@@H](Cc1cccc(Cl)c1)NCCC 109721308 MWBZDMJUHFNZDI-IBGZPJMESA-N 309.925 6.001 30 10 DKEE CCCCCCCCCCCC[C@@H](N)Cc1nc(C)cs1 109742807 SIRXWMILQSDWLG-QGZVFWFLSA-N 310.551 5.632 30 10 DKEE CCCCCCCCCCOC(=O)c1ccc(N)cc1Cl 109895297 HHRJIQDDECFZIC-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1cc(Cl)c(Cl)cc1Cl 110155383 NRKMGKKHIMBAHG-RNCFNFMXSA-N 317.647 5.531 30 10 DKEE CCCCCCC[C@H](Cc1cccc(C(F)(F)F)c1)NC 116722872 MMRFLKDEUBDVPL-MRXNPFEDSA-N 301.396 5.196 30 10 DKEE CCCCCCCCCCNc1ccncc1Br 132514500 BROJAXGXEAPHQZ-UHFFFAOYSA-N 313.283 5.397 30 10 DKEE C=C(C)CCOc1c(Cl)cc(Cl)cc1CNCC(C)C 164387490 LIWRAYZQQDCHGS-UHFFFAOYSA-N 316.272 5.084 30 10 DKEE C=CCCCCC[C@H](Cc1c(Cl)cccc1Cl)NC 234449911 QJKVYGWOEHZEHG-CYBMUJFWSA-N 300.273 5.260 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 236064103 RCGHBNOSADLHQH-CQSZACIVSA-N 311.599 5.324 30 10 DKEE CCCCCCC[C@@H](C)NCc1c(Cl)cccc1Cl 696879777 XCLAAUIFIJYUQG-CYBMUJFWSA-N 302.289 5.832 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1cccc(OCc2ccccc2)c1 710600980 GJXIZAODRZTLFJ-LJQANCHMSA-N 315.844 5.059 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(C[C@H](C)COCc2ccccc2)C1 719590152 BBKWNAWRJHLQGC-NSHGMRRFSA-N 302.458 5.015 30 10 DKEE C(=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccnc1 886014635 ASKZFCKVVSXGBI-UHFFFAOYSA-N 316.448 5.300 30 10 DKEE CN(C)c1ccc(N=Cc2cccc(-c3cccs3)c2)cc1 1772722072 LOYGOCWCPPWQTO-UHFFFAOYSA-N 306.434 5.232 30 10 DKEE Cc1cccc(/C=C2\Oc3cc(OCCC(C)C)ccc3C2=O)c1 1871409990 PRJUINMDMLHNSR-NDENLUEZSA-N 322.404 5.036 30 10 DKEE CCOc1c(/C=C/C(=O)c2ccc(C(C)C)cc2)cccc1OC 1874583999 QZEFYZAYIJEENI-BUHFOSPRSA-N 324.420 5.113 30 10 DKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 1951316601 JLLXJCDCPUJETB-UHFFFAOYSA-N 317.624 5.604 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(Br)cs1 1978659023 JBFHPZYRXATPAP-ZDUSSCGKSA-N 300.265 5.163 30 10 DKEE CCCCC#CCC(=O)c1ccc(OCc2ccccc2)cc1 1994217455 VMSSWMWIJPKSEO-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CC[C@@H](C)CCCC)NCC 1995260967 ZZRQBFCIBUGZGY-GHTZIAJQSA-N 317.517 5.344 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1scc(C)c1Br 1996469200 HGOZCGVJTBINJS-GXFFZTMASA-N 316.308 5.072 30 10 DKEE O[C@H](CC#CC1CCCCC1)c1cc(Cl)sc1Cl 2032501604 RTPKMJXSZWQNMV-GFCCVEGCSA-N 303.254 5.062 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cc(Cl)sc1Cl 2046001963 HQCCPEMAKQCMHP-WCQYABFASA-N 306.258 5.198 30 10 DKEE CCCCCCC[C@H](O)c1c(F)cc(C)cc1Br 2053211826 IHFDNWBNFFXHIF-AWEZNQCLSA-N 317.242 5.291 30 10 DKEE CC(C)C(C(C)C)[C@@](C)(C#N)Nc1cccc(Br)c1 2087312841 MAKFNOWAMULEQQ-MRXNPFEDSA-N 323.278 5.071 30 10 DKEE CCCC(CS)(CCC)CSC1CCC(F)(F)CC1 2088612987 OIWDGVODUYWJJL-UHFFFAOYSA-N 310.519 5.814 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(Br)ccc2F)C1 2112240354 RRUPTBBHJYLUPB-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C=C(C)CC[C@H](C)NCc1ccc(SC(F)(F)F)cc1 2152867172 YJHFXGYNXNHIED-LBPRGKRZSA-N 303.393 5.133 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179258967 JQTNTIJSTGVGHU-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1c(Cl)cccc1Cl 2196169477 FKZABXVVLSQDIX-MRXNPFEDSA-N 312.284 5.618 30 10 DKEE C#C[C@H](N[C@@H](CC)c1ccc(Cl)c(Cl)c1)C1CCCC1 2204038339 HCIMCLPYLNNZNW-IRXDYDNUSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1cc(Cl)ns1 2207414478 OORJCSHOUUVOOR-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE C=CCCCCCCCCC[C@H](NC)[C@@H]1CSCCS1 2207428879 CPHDYVHHFNQAPS-IRXDYDNUSA-N 315.592 5.120 30 10 DKEE C=CCCCCCCCCOc1ccc(Cl)c(F)c1F 2207436877 KWOVITYYASTMPH-UHFFFAOYSA-N 302.792 5.914 30 10 DKEE CCCCCCCC[C@H](C)N(CCC(=O)O)Cc1ccccc1 2212666927 HWZKODWWPZCTET-SFHVURJKSA-N 319.489 5.102 30 10 DKEE C=CCCCCCCCOCc1cccc(Br)c1 2220085737 CPLKWUCABZOQOO-UHFFFAOYSA-N 311.263 5.492 30 10 DKEE CCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)c(Cl)c1 2224305453 SFOOOUFVMCDYMB-CYBMUJFWSA-N 323.695 5.512 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1ccc(Cl)cc1Cl 2235525443 ZUUBMPNLXIJZOE-QGZVFWFLSA-N 314.300 6.084 30 10 DKEE CN(CCCCCCCCCS)C[C@H](F)C1CCCC1 2238361741 GJFDTIROQDAMII-KRWDZBQOSA-N 303.531 5.107 30 10 DKEE CCCCCCCCCCCOCCC(C)(C)C(N)=S 2239548517 KNXMFUYEIUAJRE-UHFFFAOYSA-N 301.540 5.236 30 10 DKEE C[C@@H](C1CC1)N(CCCCCCCS)Cc1ccccc1 2242388499 HLKNKDBCPFWMBH-KRWDZBQOSA-N 305.531 5.167 30 10 DKEE C=C(C)CCCC[C@@H](N)c1c(Br)sc(C)c1C 2250186054 VPHGMSZOMWYZQB-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE CCCCCCCC[C@H](C)NCc1cnc(SC)s1 2269281940 ZVNQTSXQFMXULB-ZDUSSCGKSA-N 300.537 5.094 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(C)cc(Br)c1 2271836784 KPYCNMZPVBPPLU-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](SC[C@@H]2CCCCC2(F)F)C1 2283105924 CDNFSECKSHVAPG-APIJFGDWSA-N 301.446 5.264 30 10 DKEE CCCCCCC[C@@](C)(OCC(=O)O)c1ccc(Cl)s1 2291902893 HJNVJAAVKSKEFO-OAHLLOKOSA-N 318.866 5.078 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(Br)cc1 2321102252 PLYRYPYMNYGIIR-HOTGVXAUSA-N 310.279 5.092 30 10 DKEE CC(=NOCc1ccc(Cl)cc1F)c1ccc(Cl)cc1 2330456816 JIZLADCSLNBGDQ-UHFFFAOYSA-N 312.171 5.073 30 10 DKEE C=CCC(CC=C)n1c(S)nc2ccc(Cl)c(Cl)c21 2335098390 JJKSKPQEJKEPCK-UHFFFAOYSA-N 313.253 5.325 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352815483 PTJYTTZOGVTVBC-BLLLJJGKSA-N 300.273 5.555 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)[C@@H](C)SC 2361031742 UNLNENHADKTBJX-MSOLQXFVSA-N 301.584 6.027 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1ccc(F)c(C)c1Cl 2364609116 GDODMMWUWZJIBX-QGZVFWFLSA-N 300.845 5.442 30 10 DKEE [N-]=[N+]=Nc1ccc(/C=C/C(=O)/C=C/c2ccc(N=[N+]=[N-])cc2)cc1 8453743 YQPDFPOALLAYGO-YDWXAUTNSA-N 316.324 5.866 30 10 DKEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(C(C)C)cc2)C1 37154761 PPODESDLAOGLOD-KVSKMBFKSA-N 301.499 6.011 30 10 DKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cn(C)c3ccccc23)c1C 83193776 LXXJYOMXXILYLK-ZHACJKMWSA-N 317.432 5.308 30 10 DKEE CCCCCCCCCCC/C=C\c1ccc(C(=O)O)cc1 100166774 HMPHXVJGYWELBM-SEYXRHQNSA-N 302.458 6.319 30 10 DKEE Cc1cccc(/N=C2\c3ccccc3C(=O)[C@H]2c2ccccc2)c1 103659459 KLCBZSTZPSWBSB-SSRRSSPNSA-N 311.384 5.096 30 10 DKEE CCCCCCCCCOc1ccc(CCC(C)=O)cc1OC 104739629 VLYCWMPQSUXJHG-UHFFFAOYSA-N 320.473 5.346 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cccc(Cl)c1F 114995048 ATGJSJVDPDYWDS-MRXNPFEDSA-N 300.845 6.043 30 10 DKEE Cc1cc(Cl)ccc1Oc1cc(Br)ccc1C#N 123464481 VJZVQNXXNZWQIW-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(Br)ccc1C 125647625 GVLVXIDPDVSPLH-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCC/C=C/c1ccc2cccnc2c1O 136947648 DINPBTCLBJIABS-ACCUITESSA-N 311.469 6.484 30 10 DKEE CCCCCCCCNc1ccc(F)c(Br)c1 163802735 IWUHBWVLCXQIMA-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE CCCCCCCCN[C@H]1c2cc(Cl)ccc2CC1(C)C 214662751 XHHFKAXEUIUSDS-SFHVURJKSA-N 307.909 5.914 30 10 DKEE C(#Cc1cc2ccccc2s1)c1ccc(-c2cccs2)s1 221656870 UGXOCGMYAOIWCA-UHFFFAOYSA-N 322.479 6.091 30 10 DKEE CCCCCCCCCCC(=O)[C@@H](C)OCc1ccccc1 404542101 KHEQQYGGDKTFKI-GOSISDBHSA-N 304.474 5.692 30 10 DKEE Cc1ccc(N=C2NC3(CCCCC3)CCS2)cc1Cl 687321972 VAGQFUVYMACYFD-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE CCCCCCCCCC(=O)c1sncc1Br 712187631 AWDMGFXOAHVMRH-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE CCCCCCCCN1CCc2cc(Br)ccc21 713348442 VJHCBINOSSDDPC-UHFFFAOYSA-N 310.279 5.172 30 10 DKEE CC1(C)CCCCC[C@@H]1Nc1ccc(C#N)cc1Br 719207128 NTNNERJUUCQDJN-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE CSc1csc2ccc(CC#N)c(SC(F)(F)F)c12 725318431 JMLBYRUBFQXGBQ-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCCCCCCCCCCC(=O)NC[C@H](C)c1cccnc1 1865984739 DSOJTFFILUHWSR-SFHVURJKSA-N 318.505 5.222 30 10 DKEE CCCCCCCCCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 1871275714 GTEIEEANWYFBNT-QZTJIDSGSA-N 307.522 5.482 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(C)sc1Br 1951015938 GSNFTBKFPLASIY-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE N#CC1(CN(Cc2ccccc2)Cc2ccccc2)CCCCC1 1953153575 IKWBGIWZKJFUMS-UHFFFAOYSA-N 318.464 5.163 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C#N)(CC)C1CCCCC1 1975997219 HYFGKZVVVNHQAN-KXBFYZLASA-N 322.493 5.275 30 10 DKEE C=CCCCC[C@H](NC)c1cccc(OCc2ccccc2)c1 1984521991 PEKQIYCEQOUGRG-NRFANRHFSA-N 309.453 5.273 30 10 DKEE CCCCCCCC(=O)c1ncc(Br)cc1Cl 2007993183 VFEASDUBHFRXOE-UHFFFAOYSA-N 318.642 5.041 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCCC2(C)C)c1Br 2032103616 LQYHSDKULNBXEW-INIZCTEOSA-N 306.247 5.020 30 10 DKEE CCCCCCCCCCCC=Cc1ccc(C(=O)O)cc1 2038962132 HMPHXVJGYWELBM-UHFFFAOYSA-N 302.458 6.319 30 10 DKEE C=CC1(CC(=O)c2c(Cl)ccc(Cl)c2Cl)CCC1 2049020293 KDOJMWZIJWJMEJ-UHFFFAOYSA-N 303.616 5.576 30 10 DKEE O=C1C(=Cc2ccc(Cl)cc2)CCc2c1[nH]c1ccccc21 2053528134 DSCZYJKJXQTIBY-UHFFFAOYSA-N 307.780 5.034 30 10 DKEE C[C@@H](c1ccc(C2CC2)cc1)n1nc(C2CCCCC2)cc1C#N 2070085496 NIQLNQHPAAIFPI-HNNXBMFYSA-N 319.452 5.289 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccsc1Cl 2107876271 SLKXHUKVLAXUGL-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE C=CC1(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)CCC1 2111696919 DGRRRJNPGIXBEK-SNVBAGLBSA-N 302.220 5.139 30 10 DKEE CC[C@H]1CC=C(C(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 2125217795 SGWSKYMOJIZULM-VIFPVBQESA-N 317.643 5.966 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1c(Cl)cccc1Cl 2148591360 XIQIPOGYPUVPND-ZBFHGGJFSA-N 318.288 5.105 30 10 DKEE C=C([C@@H](NCCC)c1cc(C(F)(F)F)cs1)C(C)(C)C 2164263548 MCKXDEBIKQJZAB-CYBMUJFWSA-N 305.409 5.410 30 10 DKEE CCCCCC(C)(C)CN=C1N[C@@H](c2cccs2)CS1 2175635307 ADDSJNDQCUTBIM-CYBMUJFWSA-N 310.532 5.088 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234052783 BXYYOZAWNYEJNB-RISCZKNCSA-N 312.240 5.386 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(C(F)(F)F)ns1 2240610159 LKBDNWLVIGZQNJ-ZDUSSCGKSA-N 308.413 5.086 30 10 DKEE C=CCCCCCNc1cc(F)cc(Br)c1C 2250473491 SPHDGALEOLNSFR-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE C=CCCCCC[C@](C)(OCCCN)c1csc(Cl)c1 2292902986 NKPSJLAUEMNVHX-INIZCTEOSA-N 315.910 5.119 30 10 DKEE O=C(C=Cc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 2294300108 SKCBOPNZFPCHRQ-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE C=CCC[C@@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2341114279 ZOFNHJOBTGOMKF-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CC(C)(C)[C@@](C)(CS)COCc1ccc(Cl)cc1Cl 2352110546 OEPKSFDDFHPIKJ-OAHLLOKOSA-N 321.313 5.492 30 10 DKEE CCCCCCC[C@H](N)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2365972200 YNTFWBOVESPTHV-HOCLYGCPSA-N 318.288 5.023 30 10 DKEE C=C[C@H](C)C[C@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2366841934 JLLYWHPYTLYZLL-GUYCJALGSA-N 314.300 5.506 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1ncc(C(F)F)s1 2369609594 ASEKCMVUXSLQRP-GFCCVEGCSA-N 302.434 5.258 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1ccc(-c2cccs2)s1 2370490007 HAQZRGHQVJLJTI-MRXNPFEDSA-N 305.512 5.730 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)c(F)c1 36886495 GICFKDIKDAOVHX-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE C[C@@H](Nc1cccc(OCC#N)c1)c1cc(Cl)ccc1Cl 37069560 JBHCVEBJSILTNS-LLVKDONJSA-N 321.207 5.069 30 10 DKEE Cc1ccc(S[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c(C)c1 37154840 IJZDNPBMXPFVMT-NUJGCVRESA-N 301.499 5.750 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccc(Cl)cc1)C(=O)O 111761992 VWQLLRGTDZBXGO-INIZCTEOSA-N 310.865 5.724 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Cl)cc1Cl 114873822 NEOGCFPUMZNLPT-MRXNPFEDSA-N 303.273 6.168 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccncc1Cl)NCC 123542335 KWTMFQAWXRMUGT-KRWDZBQOSA-N 310.913 5.396 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1snnc1CC 143484664 RDZHKLVUMDMFAT-OAHLLOKOSA-N 311.539 5.411 30 10 DKEE CCCCCCCCC(=O)c1ccc(C)cc1Br 164751411 AUWLRZBATXXVMK-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CCCCCCCCOc1ccc(C#N)c(Br)c1 228200922 GCGJSQSEIAPECK-UHFFFAOYSA-N 310.235 5.060 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=NOCc1cccc3ccccc13)C2 252625083 QCPDHEXLIZMSSN-LAUBAEHRSA-N 307.437 5.559 30 10 DKEE Cc1noc(/C=C\c2ccccc2)c1N=C/C=C/c1ccccc1 254615184 YNQDRYLGPJQGDJ-FVFSURHQSA-N 314.388 5.569 30 10 DKEE C#C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 394519072 SPJCLNKCPBFBSY-PXAZEXFGSA-N 304.220 5.019 30 10 DKEE C=CCCCCCNc1ccc(OC(F)(F)F)c(Cl)c1 401438138 YRSQMBNNFOCKKM-UHFFFAOYSA-N 307.743 5.397 30 10 DKEE CCCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCCC1 698381503 METYALWTUCLICS-IBGZPJMESA-N 322.493 5.419 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1cc(Cl)cc(Cl)c1 1893169471 IMFPKCSVMNVXOI-MRXNPFEDSA-N 302.289 5.614 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(C(C)=O)c(C)c1C 1901885193 RVUWSPXRJBIDJZ-UHFFFAOYSA-N 307.437 5.089 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)CC(C)(C)C 1918029103 HDFANFPRMODLBB-FQEVSTJZSA-N 303.556 6.000 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(Br)cc1F 1920462373 WZYISRHXBGBMOB-HNNXBMFYSA-N 316.258 5.123 30 10 DKEE CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C1(C#N)CCC1 1951520879 YJNZHKVPQISCEI-UHFFFAOYSA-N 322.408 5.132 30 10 DKEE C=CCCCCC(=O)c1ccc(Cl)cc1Br 1984509732 DHIMIWRQILYFCP-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cccc(Br)c1 2053381968 GRFSGUBLQZRAJP-INIZCTEOSA-N 306.247 5.102 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C#N)CCCCC1(C)C 2117016455 ZAEHDXNDPVDUEN-CXAGYDPISA-N 320.274 5.663 30 10 DKEE CCCCCCC[C@@](C)(N)c1c(Cl)ccc(Cl)c1F 2139410486 FKGIOWDUDOFJSU-OAHLLOKOSA-N 306.252 5.667 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(Cc2csc(-c3cccs3)n2)C1 2144694557 KMLWCMXUEBKSSS-WBMJQRKESA-N 302.468 5.134 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](NCC)c1sccc1Cl 2207443924 FJGKHINYZBXQQJ-CABCVRRESA-N 317.926 5.164 30 10 DKEE C=C(Br)CCSCCCCCCCC1CC1 2212449669 CTVBUTIIAOWSHO-UHFFFAOYSA-N 305.325 5.769 30 10 DKEE CCCCCCCC[C@](C)(O)C[C@H](C)COCc1ccccc1 2212659919 JIEMNLADQBQJAF-FPOVZHCZSA-N 320.517 5.731 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cccnc1Br 2223867637 IPMTTYMELCUTOC-CYBMUJFWSA-N 313.283 5.395 30 10 DKEE CCCCCCCCCCCCOC(=O)[C@H](C)[C@H](C)S 2239493588 UNZMXGBNTFBKKH-CVEARBPZSA-N 302.524 5.405 30 10 DKEE CCCCCCCCCCOc1c(N)ccc(Cl)c1Cl 2239509539 FGUFQIIVHBSJNL-UHFFFAOYSA-N 318.288 6.095 30 10 DKEE C=C(C)CCCCCc1cc(Cl)c(C)c(Br)c1 2250190902 QWFVUJOXJRJGJK-UHFFFAOYSA-N 315.682 6.090 30 10 DKEE CCCCC#CC[C@H](N)c1cc(Br)cc(C(C)C)c1 2265957291 NLSGDGBWEXIYAX-KRWDZBQOSA-N 322.290 5.156 30 10 DKEE C=CCCCCCCCSc1sccc1CNCCC 2287062881 KSDNDLBCGHAURD-UHFFFAOYSA-N 311.560 5.866 30 10 DKEE C=CCCCCCCCSCc1[nH]c(=NCC)sc1C 2287189193 KMSOPKZOUHHUPI-UHFFFAOYSA-N 312.548 5.065 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1ccc(Cl)cc1Cl 2292885151 MGXLYTWFSWMCPL-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE Cc1cc(C(=O)C=Cc2cccs2)c(C)cc1OCC(C)C 2295967832 AIWYQGDHHOAOEQ-UHFFFAOYSA-N 314.450 5.296 30 10 DKEE C[C@H]1CC[C@H](CSCC2(CS)CCCCCC2)CC1 2335257366 VFWPMAMVIZIEFQ-WKILWMFISA-N 300.577 5.816 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(Cl)cc1Cl 2364090380 VKRBINOPALGZMV-QGZVFWFLSA-N 312.284 5.803 30 10 DKEE Cc1c(Cl)ccc(Nc2c(F)cc(C#N)cc2F)c1Cl 2365665636 VUCAKOYTEBLRGM-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(OC)c(Cl)s1 2365834433 VATINQTWEJKIED-CYBMUJFWSA-N 318.910 5.974 30 10 DKEE C=CCC[C@@H](CCCCC(F)(F)C(F)(F)F)NCCC 2368156076 DNHYIYHCZBRKHR-LBPRGKRZSA-N 301.343 5.079 30 10 DKEE C=CCCCCCCCCC(=O)c1ncc(C(F)F)s1 2369610004 GMHFAQZFQLJTPZ-UHFFFAOYSA-N 301.402 5.570 30 10 DKEE CCCCCCCCCCCCn1c(CC)nc2ccccc21 50861276 JLDFRWWGHCVBIL-UHFFFAOYSA-N 314.517 6.520 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(Nc2cccc(Cl)c2)CC1 86959644 HKVBCRQYOGOQSC-RDTXWAMCSA-N 304.865 5.641 30 10 DKEE CCCCCCC[C@H](C)NCCc1ccc(Cl)cc1Cl 109755437 LXGIVUNMFAAOQT-AWEZNQCLSA-N 316.316 5.875 30 10 DKEE CCCCCCCCCCCC[C@@H](N)C(OCC)OCC 123546810 PLMYRTDJJUFIFZ-QGZVFWFLSA-N 301.515 5.024 30 10 DKEE CCCCCCCCCC(=O)c1ccc(C(F)(F)F)cn1 135409700 XPXAZUBOJAAYMN-UHFFFAOYSA-N 301.352 5.424 30 10 DKEE CCCCCCCC[C@H](NCCC)C1CCC(F)(F)CC1 140376822 VVRZMIOVDCZIEO-KRWDZBQOSA-N 303.481 5.931 30 10 DKEE C=C(CNc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 148012501 YISQPYRINYOKFZ-UHFFFAOYSA-N 311.734 5.484 30 10 DKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C#N)CCC1CCCCC1 309873391 HIDAMNYYGZYHDG-IBGZPJMESA-N 320.477 5.030 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@](C)(C#N)C1CCCCC1 698891309 MQTYCCVNWNRHRC-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CC(C)(C)CC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698912991 YFJPFCBOLOFAQY-IBGZPJMESA-N 322.493 5.275 30 10 DKEE C=CC(C)(C)CCN[C@H](C)c1cc(Cl)cc(Cl)c1F 701921599 YEEPIBHTCOPIGQ-SNVBAGLBSA-N 304.236 5.385 30 10 DKEE CCCCCCCCOC[C@@H](N)c1c(Cl)cccc1Cl 708914284 LRERAINBSZYQHT-OAHLLOKOSA-N 318.288 5.370 30 10 DKEE N#Cc1cc(Cl)cc(-c2c(Cl)ccc(Cl)c2Cl)c1 1848374817 OYEUSIZYUQWRMP-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC(C)c1ccc([C@@H](C(=O)Nc2ccc(C#N)cc2)C(C)C)cc1 1868179594 UJFGPULRBDEYKY-FQEVSTJZSA-N 320.436 5.060 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1Cl 1874615269 OWIAFVUTRLCOEP-RMKNXTFCSA-N 314.812 5.252 30 10 DKEE C=CCCC[C@@H](O)c1ccc(-c2ccc(Br)cc2)o1 1919681907 OHVGXHAXZWTALG-CQSZACIVSA-N 321.214 5.099 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)CC2CCC2)C1 1946844745 HVMLMHOJFQGCTF-COPCDDAFSA-N 324.512 5.397 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1scc(Br)c1C 2005345140 NWXZAWUWLNQUOX-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE C=CCCCCC[S@@](=N)(=O)c1c(Cl)cccc1Cl 2073738785 POYXYFZAYUBZHB-GOSISDBHSA-N 306.258 5.145 30 10 DKEE C=CCCCCCCCCCN1CCC(=CBr)C1 2086280217 CMGCPNKVIUUXSN-UHFFFAOYSA-N 314.311 5.278 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ncc(Cl)s1 2107840876 BSQYVJIQPLKAEX-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(C)c(Br)c1C 2108002264 CMPLISDCAHNMCZ-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE Cc1cc(C(=O)C2=CCC(C)(C)CC2)cc(C)c1Br 2125215466 CVCPVFWWYRUAFQ-UHFFFAOYSA-N 321.258 5.385 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2149856241 VYOLAGPRBWMLED-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE O=C(COc1ccc(Cl)cc1Cl)C1=CCCCCCC1 2152444660 HZZDLAOBCWFHDP-UHFFFAOYSA-N 313.224 5.222 30 10 DKEE CCCCCCCC[C@@H](NC)c1ncc(C(F)(F)F)s1 2156077233 WISGIRJXSPYYPI-LLVKDONJSA-N 308.413 5.173 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cscc1C(F)(F)F 2173633669 JICGNSQKDYVUID-AWEZNQCLSA-N 301.377 5.420 30 10 DKEE C=C[C@H](N[C@H](c1cccs1)c1ccc(Cl)s1)C1CCC1 2197830776 PBLFDSBIDWGKKY-BLLLJJGKSA-N 323.914 5.497 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc2sc(C)cc2s1 2206898823 UMEMOQLHOKKPMV-AWEZNQCLSA-N 307.528 6.058 30 10 DKEE C=CCCCCC(=O)c1sc(C)c(C)c1Br 2211907668 GCRXZMDDFQFGRQ-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE CCCCCC#CC[C@@H](Cc1cccc(Cl)c1Cl)NC 2235754083 PKTQOQCFVAPALM-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cc(F)cc(Cl)c1 2238005417 ARSAOZXDLCRTNM-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cccc(NC(=O)OC(C)(C)C)c1 2244624362 TVYIBZIVIUCGFO-QGZVFWFLSA-N 318.461 5.170 30 10 DKEE CC(C)CC[C@@H](C)[C@@H](C#N)c1ccc(Br)c(F)c1 2259001212 OBLBCBXFWAOGFA-DGCLKSJQSA-N 312.226 5.268 30 10 DKEE C[C@H]1CC(=O)C=C(c2cc(Br)cc(C(C)(C)C)c2)C1 2272983669 GNCBEUHNCUQSDJ-LLVKDONJSA-N 321.258 5.129 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Cl)cc1Br 2304058262 GULGWNRKKWKNOS-KGLIPLIRSA-N 316.670 5.095 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Br)c(Cl)c1 2304126457 XKGBFOXJPDWVJQ-KGLIPLIRSA-N 317.654 5.128 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1 2318633370 ABWXRJOMVBCSGO-UHFFFAOYSA-N 317.379 5.203 30 10 DKEE COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1Cl 2324161694 JCGVRIKUIGPKBL-UHFFFAOYSA-N 314.812 5.368 30 10 DKEE CC1(C)CC(CS)(CSCC2(C(F)(F)F)CCC2)C1 2345011899 WXHYILMOBZDFCY-UHFFFAOYSA-N 312.466 5.188 30 10 DKEE CCCCCC#CCN(C)Cc1cc(F)c(Cl)cc1Cl 2377628596 NZMKHPBFLNTMEK-UHFFFAOYSA-N 316.247 5.148 30 10 DKEE C=CCOc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 20015725 PWLBXNZEWQASBJ-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE CC[C@H](Nc1cccc(C#N)c1)c1ccc(Cl)cc1Cl 35624997 FGFXIIJSRHNOEE-INIZCTEOSA-N 305.208 5.428 30 10 DKEE CCSc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 83192754 TWJFGBFZHPRLCN-FMIVXFBMSA-N 307.418 5.176 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(OCCC)cc2)cc1 83204695 VZUAFCYUUFLGPL-VGOFMYFVSA-N 324.420 5.160 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)c(Cl)c2)CCc2ccccc2C1 87998244 GARSRDRLOZDXJP-GOSISDBHSA-N 316.231 5.235 30 10 DKEE CCCC(CS)(CCC)COc1ccc(Cl)c(CC)c1 94584432 JEUWWAASGDHWKF-UHFFFAOYSA-N 314.922 5.798 30 10 DKEE Fc1ccc(F)c(SCCCCCCCCCS)c1 97800110 PKBUPHVIVJJPTI-UHFFFAOYSA-N 304.471 5.717 30 10 DKEE CCCCCCCNCc1cccc(OCCCCCC)c1 100126119 FMJAVCCNBZUFSW-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE CCCCCCCOc1ccc(CNCC(C)C)cc1Cl 110464468 DLYKJLWSBFUKAL-UHFFFAOYSA-N 311.897 5.435 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cccc(Cl)c1F 113940804 SUSIDJBNSZKRRV-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE C=C(CNc1c(C)cc(Br)cc1C)c1ccccc1 134357739 WSKAJWXWYJKQRM-UHFFFAOYSA-N 316.242 5.191 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc3ccccc3o2)C1 222258842 YKRQANRUHQFEEC-IOASZLSFSA-N 300.427 5.028 30 10 DKEE CCCCCC[C@H](C)Nc1ccc(C#N)c(Br)c1 228181100 OAGHRAZWFLUOII-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE CCCCCCCCC(=O)Cc1cccc(Cl)c1Cl 228972042 SOYHPYGBGPXNGQ-UHFFFAOYSA-N 301.257 5.856 30 10 DKEE O=C(/C=C/c1ccccc1)c1ccc(N=Cc2ccccc2)cc1 257350909 AWZUBXVXZYOHJJ-NBDIUVDISA-N 311.384 5.333 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCC[C@@H](C)C1 310805224 ZJIKWJRJMSQMGS-DVOMOZLQSA-N 306.247 5.273 30 10 DKEE CCCCCCCC[C@@H](O)c1c(C)cccc1Br 311101271 PVFZLZALECCZGM-OAHLLOKOSA-N 313.279 5.542 30 10 DKEE CCCCCCCCC[S@](=O)CCCOc1ccc(C)cc1 526882806 XFFUUZBJYTUSOK-QFIPXVFZSA-N 324.530 5.263 30 10 DKEE CCCCCCCCCC[C@H](N)c1occc1Br 696524066 NQCLMPAPGSTCOK-AWEZNQCLSA-N 316.283 5.573 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CC(C)C)c1 698468587 IVMJLKXKUDXGHT-LJQANCHMSA-N 316.445 5.065 30 10 DKEE CCC[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698918064 BXKYNDYZEQCVSA-WBVHZDCISA-N 316.445 5.065 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 715716600 ARDHYIMGODBENZ-GCJKJVERSA-N 323.480 5.519 30 10 DKEE Cc1ccccc1CO/N=C(/c1ccc(C(C)C)cc1)C1CC1 821228777 BOZSMAAZVNTKJO-DQRAZIAOSA-N 307.437 5.449 30 10 DKEE CCCCCCCCCCN=c1[nH]c2cc(C)c(Cl)cc2o1 1859792745 NPMWPWZKRMREKX-UHFFFAOYSA-N 322.880 5.764 30 10 DKEE C=CCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 1893138983 KBOLXRCIXBLEQI-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@H](C#N)c1ccccc1)C(C)(C)C 1946838684 CRFOPZYAZWGFAG-RXVVDRJESA-N 320.480 5.231 30 10 DKEE C=CCCCCNc1c(Cl)cc(F)cc1Br 1984512867 YDGZTDOCNLQAIC-UHFFFAOYSA-N 306.606 5.010 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Br)co1 2003091144 XVGNZIFVXNVGSH-ZDUSSCGKSA-N 302.256 5.183 30 10 DKEE CC#CCCCCNc1cc(Cl)c(Br)cc1C 2019498249 NTSJJCOSZSHTOM-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE N#C[C@]1(Cc2cc(Br)cs2)CCCCC12CCC2 2053364676 DIKVDIKONRJRNM-OAHLLOKOSA-N 324.287 5.307 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1occc1Br 2086279229 QREHQQDHEFTQME-CQSZACIVSA-N 314.267 5.349 30 10 DKEE C=C([C@@H](Cc1cc(Cl)cc(Cl)c1)NCC)C(C)(C)C 2139114692 GOYQZLFGBVMLQB-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE C=C(C)CC[C@H](C)Nc1nc(Cl)nc2sc(CC)cc12 2152865303 OFCKBDFEUXYOTE-JTQLQIEISA-N 309.866 5.064 30 10 DKEE C[C@@H](C[C@H](C)N(C)CCCCCCCCCS)C(F)F 2177892467 HUAXGJWGTPHVLU-GJZGRUSLSA-N 309.510 5.259 30 10 DKEE CC(C)(C)N(CCC#N)Cc1sc2ccccc2c1Cl 2195817457 MXSMSHBYZBSKDW-UHFFFAOYSA-N 306.862 5.069 30 10 DKEE C=CCCCCCCC[C@H](O)C1CC(OCc2ccccc2)C1 2211146739 QYIOQTNVHSPDSH-CBNMVNINSA-N 316.485 5.259 30 10 DKEE CCCCCCCCn1c(S)nc2ccc(F)c(Cl)c21 2235687824 SFVUARDPFPYMMP-UHFFFAOYSA-N 314.857 5.478 30 10 DKEE CCCCCCCC[C@@](C)(O)c1c(C)ccc(Cl)c1F 2240616869 XAMLZWUWHLLQLJ-QGZVFWFLSA-N 300.845 5.746 30 10 DKEE C=C(C)C[C@H](NCCC)c1sc(Cl)cc1Br 2244968857 JVHFMSCJHBEATN-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=C([C@H](N)c1cc(Br)cc(C(C)C)c1)C(C)(C)C 2254716202 GKBZTMMDAKVIIH-HNNXBMFYSA-N 310.279 5.175 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265946712 UIEFOCFUCCFBGJ-KRWDZBQOSA-N 324.306 5.579 30 10 DKEE CC1(C)CCCCC[C@H]1Nc1c(Br)cccc1C#N 2269685714 YXARRBPYJCFHLG-CQSZACIVSA-N 321.262 5.092 30 10 DKEE C[C@H]1CC([C@@H](C#N)c2ccc(Br)c(F)c2)C[C@H](C)C1 2271530944 XBTIUGZAMWUEMY-GYSYKLTISA-N 324.237 5.268 30 10 DKEE C=C(C)CCCC[C@](N)(CC)c1ccc(Cl)c(Cl)c1 2271776525 IPVDXJXTJDOGSR-MRXNPFEDSA-N 300.273 5.694 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cccc(Br)c1C 2271796364 FHOYFWXKITZBQL-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CO[C@@H](CSCCCCCCCS)C1CCCCC1 2277506727 MCFWXOUZZGEAAQ-INIZCTEOSA-N 304.565 5.195 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(Cl)cc1C 2279042868 QOKJUFZRECRNRG-KRWDZBQOSA-N 317.300 6.476 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1csc(Cl)c1OC 2284184781 JANXHSSAMKTYAZ-CQSZACIVSA-N 316.894 5.750 30 10 DKEE C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C=Cc1ccoc1 2333257321 UTIGHTZWXIGRIJ-RMJJICAUSA-N 300.442 5.062 30 10 DKEE CC(C)CC(CC(C)C)Oc1ccc(C#N)cc1Br 2335227768 CQUKHQKJEXQRAY-UHFFFAOYSA-N 324.262 5.160 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)Cc1ccc(Cl)c(Cl)c1C 2344347568 CLZYYEJCRIXJMX-GDBMZVCRSA-N 300.273 5.164 30 10 DKEE C[C@H]1CCC[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2349797239 ORSKIEXRGSHYDW-ZUZCIYMTSA-N 300.204 5.395 30 10 DKEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2ccc(F)c(Cl)c21 2362301643 APGYKECSOTYAJQ-CABZTGNLSA-N 310.825 5.035 30 10 DKEE CC#CCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366806279 ROTVTVFSPALGIT-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE CC1(C)CC(CS)(CSCCCCCCCC2CC2)C1 2371134968 ZDJDCYRQMJJXMP-UHFFFAOYSA-N 314.604 6.206 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)/C(=N\OCc1cccc3ccccc13)C2 17111636 QCPDHEXLIZMSSN-XUEYDJBISA-N 307.437 5.559 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Sc1cc(Cl)ccc1Cl 37154545 TVQOVUXYQUOEOI-GXFFZTMASA-N 300.254 5.558 30 10 DKEE C=CC[C@H](Sc1nc2cc(C)c(C)cc2[nH]1)c1ccccc1 72262892 LRNJGYVMSGZNKC-SFHVURJKSA-N 308.450 5.589 30 10 DKEE CCCCCCCCOc1c(CNCCCC)cccc1OC 100047671 WAMSSDLAEVOJLQ-UHFFFAOYSA-N 321.505 5.324 30 10 DKEE CCCCCCC[C@](C)(NC1CC1)c1nc(C(C)C)cs1 109691115 OREAOXABNJVLKG-SFHVURJKSA-N 308.535 5.594 30 10 DKEE CCCCCCC[C@H](CNCCC)Cc1ccccc1Cl 110917518 LZNKHMLQWWWGIV-KRWDZBQOSA-N 309.925 5.859 30 10 DKEE CCCCCCCCC(=O)c1cc2c(cc1Cl)OCCO2 115855285 DVEOIIIVPJYTTM-UHFFFAOYSA-N 310.821 5.045 30 10 DKEE CCCCCCCC[C@H](NN)c1cccc(Cl)c1Cl 122382321 BSFQSZSKCYJTAG-AWEZNQCLSA-N 303.277 5.248 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1CCCc2sccc21 139606933 IJBVIAKLYOWLOM-AEFFLSMTSA-N 307.547 5.897 30 10 DKEE CCCCCCCCCCOC(=O)c1cccc(Cl)c1N 156823720 BVBAJXNILVIUKR-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE CCCCCCCCCC(=O)c1cc(F)c(Cl)cc1F 164703039 WWKBVKPCXQEXPM-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE Cc1ccc(Oc2cccc(Br)c2C#N)c(Cl)c1 168634413 SQFHFOUASPGEMD-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232933735 PBHNWZLWVJPHQA-FZKCQIBNSA-N 304.565 5.114 30 10 DKEE CCCCCCCCCCCCS[C@H]1CCCCC1=NO 254823856 RVWHHVNHRGDTHX-SFHVURJKSA-N 313.551 6.413 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1cc(Cl)ccc1Cl 387468501 STNXWCRUKYOIQN-GFCCVEGCSA-N 300.273 5.116 30 10 DKEE C=CC[C@H]1CCCC[C@H]1NCc1cc(Cl)sc1Cl 692278555 DGKXCANEUNVKBL-CMPLNLGQSA-N 304.286 5.279 30 10 DKEE CCCc1c(-c2cc3cscc3s2)sc(C#N)c1N 694336214 XFBULPLWVUFDSI-UHFFFAOYSA-N 304.465 5.098 30 10 DKEE CCCCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CC1 698876466 JNCMNXQVOSTFEG-QGZVFWFLSA-N 322.493 5.419 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1ccccc1Br 1879648822 ZDNXIVAKVMMHNB-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CC(C)=C(CS[C@@H]1CCC[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 1901708217 ISTVAYJUPYLSJK-HUUCEWRRSA-N 324.339 5.266 30 10 DKEE CCCCCCCC(=O)[C@@](C)(O)c1cc(Cl)sc1Cl 1919408446 MMJJIWJLMMXFOM-AWEZNQCLSA-N 323.285 5.192 30 10 DKEE CCCCCCCC[C@H](O)c1cc(C)sc1Br 1951008239 NRCQYZQFFHKEMI-ZDUSSCGKSA-N 319.308 5.603 30 10 DKEE CC[C@@H](C(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1988764424 LNCWHMZFUVFQHK-DLBZAZTESA-N 316.445 5.002 30 10 DKEE C#C[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1cccs1 1990754680 GEGJOFUAPOIBGP-NRFANRHFSA-N 317.457 5.125 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(Cl)ccc2Br)CC1 2010607478 AJRZVDWUYLDFEB-VIFPVBQESA-N 313.622 5.032 30 10 DKEE C=CCC12CC(N(Cc3ccccc3)Cc3ccccc3)(C1)C2 2060406385 YJGCRKANNWIXJW-UHFFFAOYSA-N 303.449 5.188 30 10 DKEE C=CC1(C[C@@](C)(O)c2cc(F)c(Cl)cc2Cl)CCC1 2111722823 QDRCLYNJJFOOHF-CQSZACIVSA-N 303.204 5.086 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cc(F)ccc1Br 2117015848 WZWQKCNWJUAHRL-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C[C@@H](CCN(C)CCCCCCCCCS)C(F)(F)F 2166580394 MMLRBSWIXLJBHE-AWEZNQCLSA-N 313.473 5.167 30 10 DKEE C=C1CCC(C[C@@H](N)c2ccc(-c3cccs3)s2)CC1 2205885064 DRLBMFABJQTZJJ-CQSZACIVSA-N 303.496 5.613 30 10 DKEE C=CCCCCCCCCC[C@H](NC)[C@H]1CSCCS1 2207428877 CPHDYVHHFNQAPS-DLBZAZTESA-N 315.592 5.120 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1cccc(Br)c1 2227274188 JOGITPIDFLXCMH-KRWDZBQOSA-N 324.306 5.540 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 2235513379 JZRZGOXJBWBOLM-HNNXBMFYSA-N 316.272 5.526 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ncc(C(F)(F)F)s1 2235535336 OBJBOLGLAOPIEI-LLVKDONJSA-N 307.381 5.112 30 10 DKEE C=CCCCCCCCN(C)Cc1cc2sccc2s1 2235785756 WEGGJORHBLYQMO-UHFFFAOYSA-N 307.528 5.921 30 10 DKEE C#C[C@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1)C1CCCCC1 2238003197 HRAKWVOECGRESP-SJCJKPOMSA-N 310.268 5.226 30 10 DKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)c1ccsc1Cl 2239461697 GAICKJNMXWXCQH-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE FC(F)(F)C1CCC(OCC2(CS)CCCCC2)CC1 2239952020 SRXJSUBMOGEWLQ-UHFFFAOYSA-N 310.425 5.004 30 10 DKEE C=C(C)CCCC[C@@H](CSc1ccccc1Cl)NCC 2287413276 IRMWTWDWNWSZND-HNNXBMFYSA-N 311.922 5.547 30 10 DKEE Cc1ccsc1C=C1CCCC(=Cc2sccc2C)C1=O 2296824102 CTZDSUQWKVOBMC-UHFFFAOYSA-N 314.475 5.646 30 10 DKEE CCCCCCCCC[C@H](O)c1cnsc1Br 2300341995 OGKICOKDSPAUOW-LBPRGKRZSA-N 320.296 5.080 30 10 DKEE CC(C)(C)C#CCOc1ccc(Br)cc1C(C)(C)C 2341068668 DCRPCZMNDAIVOR-UHFFFAOYSA-N 323.274 5.175 30 10 DKEE C=CCC(CC=C)OC(=O)C=Cc1ccc(Cl)cc1Cl 2360325015 URDFLCSLWSIIHB-UHFFFAOYSA-N 311.208 5.071 30 10 DKEE C#CCCCCCCN[C@@H](CC)c1ccc(Cl)c(Cl)c1 2364159786 HQUFPDRPPAFUPC-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CCC1CCC(C=O)(Cc2ccc(Cl)c(Cl)c2C)CC1 2364265874 PYTLBSNRCXAUNA-UHFFFAOYSA-N 313.268 5.630 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cccc(Cl)c1Cl 2365092366 CVZWDQFFRKDZPR-IUODEOHRSA-N 310.268 5.084 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 20754663 IKBBIMDKUDFHDE-MBOZVWFJSA-N 321.395 5.217 30 10 DKEE Cc1cccc(OCC[C@@H](C#N)c2cccc3ccccc23)c1 57686180 NFHODSIKMPBVRP-SFHVURJKSA-N 301.389 5.225 30 10 DKEE CC(C)(C)c1csc(NC(=O)CCC2CCCCC2)c1C#N 75297146 NZWSTPQYPBNPPD-UHFFFAOYSA-N 318.486 5.216 30 10 DKEE C=CCC[C@@H](NCCC)c1cc2cccc(Br)c2o1 97221113 OBKPCDAVGSAXIU-CQSZACIVSA-N 322.246 5.202 30 10 DKEE SCCCCCCCCCOc1ccc(Cl)cc1Cl 97799669 HBHLWMMNKTVTRA-UHFFFAOYSA-N 321.313 6.033 30 10 DKEE CCCCCCCCS[C@@H](c1ccccc1)N1CCCC1 103013686 CNDZWGVJOLZIAA-IBGZPJMESA-N 305.531 5.875 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)cc2cccnc12 109775463 DCYNNFVDPYRVDI-CQSZACIVSA-N 304.865 6.049 30 10 DKEE CCCCCCCCCCCCNc1cc(Cl)ccc1C 110153538 DQMCGARTEBBAIO-UHFFFAOYSA-N 309.925 6.981 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(C(F)(F)F)ccc1F 125032286 SDBHUPOAAGZSID-OAHLLOKOSA-N 305.359 5.466 30 10 DKEE Cc1cccc(Nc2ccc(C#N)cc2Cl)c1Br 131520355 KDAXTVJTZSRENH-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCC[C@@H](CC=O)OCc1ccccc1 137462487 XEVZLJCXXPDLCG-NRFANRHFSA-N 318.501 6.082 30 10 DKEE in-vitro Cc1ccc(Cl)c(Oc2ccc(C#N)cc2Br)c1 213245963 WRRRIKZGVXRIOT-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(F)cc2)C1 222249629 DDQATALTRMYZEV-CPUCHLNUSA-N 305.462 5.662 30 10 DKEE SC[C@@H](CSCc1ccccc1Cl)c1ccccc1 236583598 DOBBLPYVDTWSNS-HNNXBMFYSA-N 308.899 5.287 30 10 DKEE N#C[C@@H](CSc1ccc(Br)cc1)C1CCCCC1 397296064 KDMUBYPFZRFIFM-ZDUSSCGKSA-N 324.287 5.261 30 10 DKEE CCCCCCC[C@H](Cc1ccsc1Cl)NCCC 687926997 QUKREKXGSPISNG-OAHLLOKOSA-N 301.927 5.673 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Br)c(F)c1F 689646616 FMNWKFICNXJOLT-GFCCVEGCSA-N 320.221 5.088 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2ccc(Cl)c(Cl)c2)CC1 724590243 WHCVYHHIGMOPGL-QGZVFWFLSA-N 312.284 5.781 30 10 DKEE CCCCCCCCCn1c(CS)nc2cc(F)ccc21 1857801806 ZMQGTVNJSBYQOT-UHFFFAOYSA-N 308.466 5.356 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(Br)cc1F 1920462374 WZYISRHXBGBMOB-OAHLLOKOSA-N 316.258 5.123 30 10 DKEE O=C[C@@]1(CCc2cc(Cl)cc(Cl)c2)CCCC12CCC2 1921611122 CBWKJVWXUXPAAR-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE C=C(COCc1ccccc1)C(=O)[C@@H](c1ccccc1)[C@H](C)CC 1922076783 ICZWWDLJPRWSFT-DYESRHJHSA-N 322.448 5.158 30 10 DKEE C=C(COCc1ccccc1)[C@H](CC1CCCCC1)NCCC 1922110301 KNXPFCKCYOSGOV-NRFANRHFSA-N 315.501 5.098 30 10 DKEE C=CCC[C@@H](C)[C@](C)(N)c1ccc(OCc2ccccc2)cc1 1975929013 RPUAKPHSKHAANG-UTKZUKDTSA-N 309.453 5.042 30 10 DKEE C=CCCCCCC[C@@H](O)c1cccc(Br)c1C 2085848939 GIYBGDZTJFVNCL-MRXNPFEDSA-N 311.263 5.318 30 10 DKEE C=CCCCCCC[S@](=N)(=O)c1cc(Cl)ccc1Cl 2141922891 JYFJDVLMSGXRRS-IBGZPJMESA-N 320.285 5.536 30 10 DKEE C=CCCCCCCCCC(=O)c1ccccc1Br 2142435505 PNRZVBXVYBOKGY-UHFFFAOYSA-N 323.274 5.939 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(SC(F)(F)F)cc1 2164259855 IIBQMZSGUAWGOT-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE CCCC[C@](C#N)(CC)[C@](C)(O)c1ccc(Cl)cc1Cl 2164479362 GHIFPTYJOWMRTM-CVEARBPZSA-N 314.256 5.311 30 10 DKEE C=CCCCCCCCC(=O)c1c(C)cccc1Br 2227271041 IOURDRFKPQTLOK-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE CCCCCCCCC[C@]1(C)[C@@H](N)CCN1Cc1ccccc1 2246060362 ASVZIFXAFXLHSR-LEWJYISDSA-N 316.533 5.119 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cccc(Cl)c1Br 2250131332 JOMYYSBHNDARDL-CYBMUJFWSA-N 316.670 5.239 30 10 DKEE C=CCCCCC[C@H](O)c1cc(Cl)c(OC)cc1Cl 2266788765 GVHXWDDXRZORTC-AWEZNQCLSA-N 303.229 5.172 30 10 DKEE CCCCCCCCCOCc1cc(Cl)nc(Cl)c1 2271200917 QQGKKZXCJFSVOT-UHFFFAOYSA-N 304.261 5.656 30 10 DKEE CCCCCCCCC[C@](C)(N)c1nccc(Cl)c1F 2295597399 VDLTWDAGDIUGLA-INIZCTEOSA-N 300.849 5.189 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2353050563 JMWDPFGQUXGWKX-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE C=CCCCCC[C@](C)(O)c1ccc(Cl)c(C)c1Cl 2353209159 ZEHBAYRFDWFZJE-INIZCTEOSA-N 301.257 5.646 30 10 DKEE C=C1CCC(C[C@@H](NC)c2ccc(Cl)c(Cl)c2C)CC1 2364532826 GVENYYFUJLTNIT-MRXNPFEDSA-N 312.284 5.699 30 10 DKEE N[C@H](CC#CC1CCCCC1)c1c(Cl)cc(F)cc1Cl 2366402607 CZUHTUHZGRUZPV-OAHLLOKOSA-N 314.231 5.106 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1c(Cl)cccc1Cl)NCC 2370482264 LCBVDVYUQZXRLL-IAGOWNOFSA-N 314.300 5.506 30 10 DKEE Clc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 5519151 CTPJUZMODBHJDQ-RCCKNPSSSA-N 306.796 5.512 30 10 DKEE Cc1cc(C)c2nc(SCc3ccc(C#N)cc3)cc(C)c2c1 40167267 BBMKJMUSGKIRLR-UHFFFAOYSA-N 318.445 5.324 30 10 DKEE Cc1cc(OC[C@H](CS)c2ccccc2)cc(C)c1Cl 94584460 ADCZFOOAOCZJQT-OAHLLOKOSA-N 306.858 5.049 30 10 DKEE C=C[C@]1(C)CC[C@H]2C(=CC[C@H]3[C@@](C)(C(=O)O)CCC[C@@]23C)C1 104878228 MXYATHGRPJZBNA-NXHKRRBXSA-N 302.458 5.206 30 10 DKEE CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)[O-] 111385074 QCTZUSWOKFCWNB-VAWYXSNFSA-N 311.554 6.598 30 10 DKEE Cc1ccc(-n2nc(C3CCCC3)c(C#N)c2Cl)cc1Cl 134263450 OWFUGCPDIGPOLZ-UHFFFAOYSA-N 320.223 5.017 30 10 DKEE CSc1cccc(Oc2cccc(Cl)c2Cl)c1C#N 136706940 DUYGJXBMCBQZRA-UHFFFAOYSA-N 310.205 5.379 30 10 DKEE CCCCCCCCC[C@H](CCCc1cccs1)NCC 139534624 KAICGAVHOFLKGL-GOSISDBHSA-N 309.563 6.190 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(C)c(Br)s1 167679568 CZFKTCWAZUXCLH-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccoc1Cl 232915592 SOLIANBDQUPBDI-INIZCTEOSA-N 300.870 6.277 30 10 DKEE C[C@@H](O)c1ccc(C#N)cc1Sc1ccc(Cl)cc1Cl 322680440 PEQHNJSCAKBYKE-SECBINFHSA-N 324.232 5.070 30 10 DKEE C[C@@H](CCC#N)n1ccc2c(OCc3ccccc3)cccc21 720855930 KCQHCEXBQMPFQL-INIZCTEOSA-N 304.393 5.085 30 10 DKEE N#CCc1ccc(SC(F)(F)F)c2sc(C(F)F)cc12 725297035 FTAACHAHAHKBLE-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE FC(F)(F)c1ccc(C#Cc2ccc(Cl)cc2Cl)cc1 1614730806 MKIVDMPRXIKLJU-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE C=C1CCC(C[C@@](O)(CC)c2ccc(Br)cc2)CC1 1886400239 ATRDEKRKIQKOGJ-KRWDZBQOSA-N 323.274 5.183 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Cl)c(Cl)c1F 1893153673 XOLRSMKQBPLYFB-NSHDSACASA-N 306.252 6.293 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@H](CO)C(C)C 1915267385 DADOWTAJRLMCOR-OAQYLSRUSA-N 319.533 5.256 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](NCC)c1ccsc1Cl 1921139525 KKDVLWQXZIMVPM-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CC1(C[C@@]2(C#N)CCCCN2C(=O)OC(C)(C)C)CCCCC1 1935605070 CCEFQYZOXCLJOW-LJQANCHMSA-N 320.477 5.030 30 10 DKEE CCC#CC[C@H](NCCC)c1ccccc1OCc1ccccc1 2005837878 JGQIFRPLMBGORI-NRFANRHFSA-N 321.464 5.110 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(Cl)cc1Br 2011350569 CBGXCFSEQXVVMJ-CYBMUJFWSA-N 320.633 5.017 30 10 DKEE CC1(C)CC[C@H]([C@@H](C#N)Sc2ccccc2Br)C1 2037683978 WTQAJCDHHYRIKM-SMDDNHRTSA-N 324.287 5.260 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(C)c(Br)c1 2043843509 JKSBZXJIHPVSRX-MRXNPFEDSA-N 313.279 5.326 30 10 DKEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(Cl)sc1Cl 2076089691 WSPYGPHHFCJKLK-PWSUYJOCSA-N 304.286 5.145 30 10 DKEE C=CCCCCCCCC[C@H](O)c1coc(Br)c1 2086260421 ZEPNWHAXBVQKEX-AWEZNQCLSA-N 315.251 5.382 30 10 DKEE CCCCC[C@@H](CC)Oc1ccc(C#N)cc1Br 2086285432 NUEIWCHHOSUZTP-CYBMUJFWSA-N 310.235 5.058 30 10 DKEE SCC1(CN2CCC[C@H]2c2ccsc2)CCCCCC1 2170013264 HUMPKYKWLKWNGO-INIZCTEOSA-N 309.544 5.155 30 10 DKEE CCCCCCCCN(C)Cc1cc(Cl)cc(Cl)c1N 2196736438 ILIJNWJZLJBTJP-UHFFFAOYSA-N 317.304 5.368 30 10 DKEE C=C(c1ccccc1)[C@@H](NCCC)c1cc(C)c(Cl)s1 2197140913 YKBWOFNKBXSQDQ-MRXNPFEDSA-N 305.874 5.464 30 10 DKEE CC(C)(C)CNCCC#Cc1cc(Cl)cc(Cl)c1Cl 2227321254 ZGUOUBQECFVROE-UHFFFAOYSA-N 318.675 5.024 30 10 DKEE Cc1nc(SCCCCCCC2CC2)c(Cl)cc1C#N 2239342324 WZLHVLFPVWLHJH-UHFFFAOYSA-N 308.878 5.368 30 10 DKEE C=C[C@H](CC)OC[C@H](NCCC)c1ccc(Cl)cc1Cl 2239480482 DEOILYRQAFXGPQ-CJNGLKHVSA-N 316.272 5.015 30 10 DKEE C=CCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243557376 FJVYISCQNRGYSZ-KRWDZBQOSA-N 319.445 5.040 30 10 DKEE CC(C)c1cc(Br)cc(CC=CC#CC(C)(C)C)c1 2268742075 LOROSEAWCYYJGY-UHFFFAOYSA-N 319.286 5.721 30 10 DKEE Cc1ccsc1C=CC(=O)c1c(C)cc(OC(C)C)cc1C 2295968060 YLCVHIIUPCVVMO-UHFFFAOYSA-N 314.450 5.357 30 10 DKEE O=C1C(=Cc2cccc(C(F)(F)F)c2)Sc2ccccc21 2297531764 MJQRIUFZXSKWDW-UHFFFAOYSA-N 306.308 5.035 30 10 DKEE CCCCCCC=CCCCCCCCCCCOC(C)=O 2297748767 QSZKEDWVAOAFQY-UHFFFAOYSA-N 310.522 6.587 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1sc(C)c(C)c1Br 2304021478 IFZNCPHZPFTBPL-KGLIPLIRSA-N 316.308 5.120 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccc(Br)cc2)C1 2318738808 ZTBAIWACZVAPRA-OSAQELSMSA-N 324.287 5.011 30 10 DKEE C=CCN(CC=C)N=Nc1ccc(Cl)c(C(F)(F)F)c1 2330181647 OBFZGAAXRUPCPY-UHFFFAOYSA-N 303.715 5.032 30 10 DKEE C=C1[C@@H](C=Cc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O 2333301287 RHCBUXSXDFNUAG-SOAMZJECSA-N 300.442 5.062 30 10 DKEE Cc1ccc(NCc2ccc(Cl)c(Cl)c2C)c(C#N)c1 2364507159 ZVLFRQAYHBJHDG-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE Clc1ccc(/N=C2\NC[C@@H](c3ccccc3)S2)cc1Cl 35082551 WVDUMTZFKGNTSC-AWEZNQCLSA-N 323.248 5.059 30 10 DKEE CCCCCCCn1cc(CNCCC)c2c(C)cccc21 107022581 KUIXJVNTXDTKJR-UHFFFAOYSA-N 300.490 5.420 30 10 DKEE CCCCCCCCCC(=O)c1ccc(Br)s1 114419387 ITRLHXNBHCGMNR-UHFFFAOYSA-N 317.292 5.834 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H](CCC)OCC 122505542 VXCVLMFTUMHQBG-OALUTQOASA-N 300.527 5.864 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ncc(Cl)cc1Cl 123461502 YMPHJQJMVIHDNE-OAHLLOKOSA-N 317.304 5.790 30 10 DKEE CCCCCCCCCCNC(=O)c1ccccc1SC 140686441 YEXMAJUFMXCEJU-UHFFFAOYSA-N 307.503 5.279 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Br)ccc1Cl 158038273 CQTCVFVARGEKSJ-CQSZACIVSA-N 318.686 5.463 30 10 DKEE CSc1cccc(N[C@@H](C)c2cccc(Cl)c2)c1C#N 167582388 ATNAQWKMZUFZPT-NSHDSACASA-N 302.830 5.107 30 10 DKEE Cc1cccc(N=Cc2c3ccccc3cc3ccccc23)c1C 254483912 QLVLYMXVCOLLFW-UHFFFAOYSA-N 309.412 6.360 30 10 DKEE Cc1noc(/C=C/c2ccccc2)c1N=C/C=C/c1ccccc1 254615187 YNQDRYLGPJQGDJ-QOCROZFYSA-N 314.388 5.569 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(OCc2ccccc2)cc1 309949302 FHSDQVPPCUVRHA-NRFANRHFSA-N 309.453 5.273 30 10 DKEE CCCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 384393976 BZYIRKLPBUYFRD-VAMGGRTRSA-N 312.501 5.253 30 10 DKEE CCCCCCCCC[C@@H](Cc1sccc1Cl)NC 387985887 INCYXWCWASLTSA-AWEZNQCLSA-N 301.927 5.673 30 10 DKEE CCCCCCCC[C@H](CCOCc1ccccc1)NCC 395557049 ILDSODKUVZMZDY-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccccc1NC(=O)OC(C)(C)C 407508456 YPYJZRLSXRXDLN-MRXNPFEDSA-N 318.461 5.041 30 10 DKEE C[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698869123 RNUGIRLRJODGBD-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1F 701406321 NUBVNYCJCHGNQQ-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2ccccc2Br)CC1 724550259 UVUCOPKREOYKFT-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE C/C(=N\OCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 1857936312 GLFWGNAKECKYOT-VXLYETTFSA-N 312.171 5.073 30 10 DKEE C[C@H](CCS)CCSCc1cccc(Br)c1 1902050053 AICAMUVJJQSIIN-LLVKDONJSA-N 319.333 5.028 30 10 DKEE C[C@H](CCS)CCN(Cc1ccccc1)C1CCCCC1 1932028464 DYGXERJWUHYTTI-KRWDZBQOSA-N 305.531 5.167 30 10 DKEE CC[C@@](C#N)(CC1CC1)N(C(=O)OC(C)(C)C)C1CCCCC1 1939402720 HMBMESQJBSHGSE-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCCCCCCCN[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 1939562952 JHJQFOZTEWGRNJ-VQTJNVASSA-N 317.517 5.320 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 1988320682 FHPXEOLHOZDBCW-UHFFFAOYSA-N 319.370 5.284 30 10 DKEE CCCCCCCCCC(=O)c1cc(Br)co1 2003089966 PHJAZYGTORKGPB-UHFFFAOYSA-N 301.224 5.366 30 10 DKEE FC(F)c1cc(OC(F)(F)F)c(Cl)cc1C(F)(F)F 2054949072 GLTPVULQITUGFE-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=C(C)CC[C@@H](C)n1c(S)nc2ccc(Cl)c(Cl)c21 2103438845 OBRMVAAWFAPLCA-SECBINFHSA-N 315.269 5.549 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)s1 2142448823 SNLHYRBCJRPRFR-CYBMUJFWSA-N 321.313 6.395 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc(Cl)sc1C 2154493203 OLMMOBFRZGTXES-MRXNPFEDSA-N 315.954 6.501 30 10 DKEE C=CCC[C@@H](C)[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2158316228 LBVLCLGEQSPTTO-SJKOYZFVSA-N 306.858 5.704 30 10 DKEE CC#CC[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2164105164 PLGGSIFOGKGGFK-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2cc(Cl)ccc2Cl)C1 2168548283 NSVZWYIOAJGTBG-GOEBONIOSA-N 312.240 5.137 30 10 DKEE CC(C)(F)[C@@H]1CCCN(CCCCCCCCCS)C1 2178834934 QGWBWTLWEJLAQP-MRXNPFEDSA-N 303.531 5.107 30 10 DKEE CCCCCCCCCCN1CCS[C@@H](C(F)(F)F)C1 2195682615 RJWGGBYLLLLBMH-CQSZACIVSA-N 311.457 5.107 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cscc1C(F)F 2207426677 FFUMESASYHUYHA-OAHLLOKOSA-N 301.446 5.992 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)C[C@@](C)(O)CC 2211145922 NFHFTVWHPPFLTM-NRFANRHFSA-N 317.517 5.176 30 10 DKEE C=CCCCCCCC[C@H](N)c1sccc1Br 2214613272 LXOBGJWSUFDRMQ-ZDUSSCGKSA-N 316.308 5.427 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Br)cc1CC 2221732814 RGYJIHNMDGEUDZ-INIZCTEOSA-N 312.295 5.372 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cccc(Br)c1 2223848819 STZSJDAXZJZNJP-CQSZACIVSA-N 312.295 6.000 30 10 DKEE C=CCCCCCCCC(=O)c1ncc(Cl)cc1Cl 2227282845 XHKBKMXYTLKFTC-UHFFFAOYSA-N 300.229 5.488 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1ccc(Br)cc1 2227290067 YHXIDAJAJPQNIT-KRWDZBQOSA-N 324.306 5.236 30 10 DKEE C=C(C)CCCCCc1cc(Br)ccc1Cl 2244634746 UKBIOVZBYIDQAE-UHFFFAOYSA-N 301.655 5.782 30 10 DKEE C=CCCCCC[C@@H](OCCC(=O)O)c1cc(Cl)cs1 2292727892 PGJCCGSOBXNIKV-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE Cc1cc(NCc2ccc(C)c(C#N)c2)c(Cl)cc1Cl 2294763216 DAJQNRDOKLDOJO-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(Cl)cc1Br 2304078658 MRNDOZHDAINSSY-CQSZACIVSA-N 315.638 5.278 30 10 DKEE C=CCC(CC=C)[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2316744535 PBTDWQMGZWECSM-AWEZNQCLSA-N 304.648 5.415 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(OC)c(Cl)s1 2340335416 WZKVXTVQKNHFIO-LBPRGKRZSA-N 301.883 5.197 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2344338759 CJLALIYHOGJKHG-HZPDHXFCSA-N 300.273 5.116 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)c(Cl)c(Cl)c1 2344339828 MKSKKGNCUHXZPH-GJZGRUSLSA-N 320.691 5.900 30 10 DKEE Cc1ccc([C@@H](C#N)CCOc2ccc3ccccc3c2)cc1 57685010 DJTBDXRENJCPQF-HXUWFJFHSA-N 301.389 5.225 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(Cl)cc1Cl 59055470 BFYFVHMFRCTFFE-ZDUSSCGKSA-N 302.289 6.005 30 10 DKEE CC(C)Oc1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 83201452 ZJCSNKQXYFDWAC-FMIVXFBMSA-N 306.361 5.116 30 10 DKEE Cc1cc(Cl)c(C(=O)/C=C/c2c[nH]c3ccccc23)cc1C 83204338 MIVBKCAOWPXVPF-BQYQJAHWSA-N 309.796 5.334 30 10 DKEE Fc1c(Cl)cccc1OCCCCCCCCCS 97799884 ZUDLEKUVXNUOIZ-UHFFFAOYSA-N 304.858 5.518 30 10 DKEE CCCCCCCOc1ccc(CN[C@H]2CCC[C@H](C)C2)cc1 100131401 IUHRFQSCOITEIH-ICSRJNTNSA-N 317.517 5.704 30 10 DKEE CCCCCC/C=C/CCCCCCCCCC(=O)OCC 100173970 XZMSLYSQJNCDQH-MDZDMXLPSA-N 310.522 6.587 30 10 DKEE CC(C)(C)c1c(C#N)oc2c(Cl)cc(Br)cc12 110162064 YECLUVTVMUPGBJ-UHFFFAOYSA-N 312.594 5.018 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(F)c(Cl)cc1F 158993032 VOWUZGUDWLOFMG-INIZCTEOSA-N 303.824 5.629 30 10 DKEE C=C(C)[C@@H](NCCC)c1ccc2cc(Br)ccc2c1 229751018 GKTNNRDPLSYNRF-QGZVFWFLSA-N 318.258 5.219 30 10 DKEE CCC(C)(C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698857421 SQGRNIBAQDAYHH-INIZCTEOSA-N 322.493 5.275 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(C)cc1Br 715815838 VUWOFEQJEAMLHC-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE C=C1CCC(C[C@H](NC)c2cccc(Br)c2C)CC1 724601904 HPOHQELGYSLYHW-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CCCCCCCCCC(=O)/C=C\c1ccc(O)c(OC)c1 725409750 ZTGNNEHJBFCTFH-QBFSEMIESA-N 304.430 5.124 30 10 DKEE N#Cc1cc(Cl)c(Sc2ccccc2)c(C(F)(F)F)c1 725411865 KIANHXBGVKJRNK-UHFFFAOYSA-N 313.731 5.382 30 10 DKEE CCCCCCCn1c([C@@H](C)N)nc2cc(C(C)C)ccc21 1857801823 WJYATIUVPTYRKC-OAHLLOKOSA-N 301.478 5.150 30 10 DKEE C=C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CCC1 1892935105 VCPZSFNLEIFBNU-NOZJJQNGSA-N 318.675 5.652 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccc(Cl)cc1Cl 1920488871 ITLFUBGSWZCIFX-INIZCTEOSA-N 302.289 5.918 30 10 DKEE CC[C@](C)(C#N)[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921047701 DMJNBGODQUVLLD-HZPDHXFCSA-N 305.830 5.042 30 10 DKEE CCCCCCCCC[C@H](N)c1ncc(Br)s1 1948936378 CTTMSZPOGYREHB-NSHDSACASA-N 319.312 5.046 30 10 DKEE C=C(COCc1ccccc1)C[C@@H](NCCC)c1ccc(C)cc1 2003626392 JKLNFWOWIZXXGO-JOCHJYFZSA-N 323.480 5.199 30 10 DKEE O=C(C=Cc1ncc(-c2ccccc2)[nH]1)c1ccc2ccccc2c1 2053631354 HWHQXVBGBDJSHT-UHFFFAOYSA-N 324.383 5.126 30 10 DKEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C2CCCCC2)cc1C#N 2070086781 JTPIXUHUVMPXNV-OAQYLSRUSA-N 321.468 5.419 30 10 DKEE CC#CCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2073669535 JBNAXTDZBHOLBK-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE CCCCCCCOc1c([N+](=O)[O-])ccc(Cl)c1Cl 2103438563 MARNMMZVRVNYPD-UHFFFAOYSA-N 306.189 5.251 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1c(Cl)cncc1Cl 2107969817 UHPLZKKIHXBGMP-NHYWBVRUSA-N 301.261 5.031 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cccc(Cl)c1Cl 2123086716 VOSNQBVFQKCUOC-OAHLLOKOSA-N 300.273 5.781 30 10 DKEE CCCCCCCC[C@@H](C#N)Nc1ccc(Br)cc1 2142470814 QHKYTFAHSVPYLH-INIZCTEOSA-N 323.278 5.504 30 10 DKEE C=CC1(C[C@H](O)c2cccc(SC(F)(F)F)c2)CCC1 2168028397 MDPHJFPXUAAWOP-ZDUSSCGKSA-N 302.361 5.078 30 10 DKEE N#CC1(CCc2cc(Cl)cc(Cl)c2)CCC(F)(F)CC1 2184894388 RPLQIDDJESDSAO-UHFFFAOYSA-N 318.194 5.645 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(Cl)c1F)c1ccc(C#N)cc1 2197899151 ZDTWMWVVUCBBEZ-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1 2207430779 YECJJKMMTCJALT-KRWDZBQOSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@@H](O)c1ccsc1Cl 2207437302 NRDVDFDAWVOLSA-CABCVRRESA-N 315.910 5.069 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234059327 INRKSRIQQFCGJU-GXFFZTMASA-N 312.240 5.242 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(Br)sc1C 2250156215 JBYMGPFCUUQXRU-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CCCCCCCCSc1cc(Cl)sc1CN 2259962226 CUCZIUDCIJYPFG-UHFFFAOYSA-N 303.924 5.479 30 10 DKEE CCCCCCC[C@@H](NCC)c1sc(Cl)cc1OC 2278266534 IDSRTSZVOMUKKP-GFCCVEGCSA-N 303.899 5.421 30 10 DKEE CCCCCCCC[C@@H](O)C(=O)c1cc2sccc2s1 2295407270 UZEZUKCNGOYKEE-GFCCVEGCSA-N 310.484 5.257 30 10 DKEE CCCCCOc1ccc(C=C2Oc3ccc(C)cc3C2=O)cc1 2314519179 CJQXCNMWCVHTKM-UHFFFAOYSA-N 322.404 5.180 30 10 DKEE CC(=NOCc1cc(Cl)ccc1F)c1ccc(C)c(C)c1 2318633972 WAEHQIYJZYIUMY-UHFFFAOYSA-N 305.780 5.037 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccc(Br)cc2)C1 2318738807 ZTBAIWACZVAPRA-KYOSRNDESA-N 324.287 5.011 30 10 DKEE CCCCCCCCCOc1ccc(C=NN(C)C)c(Cl)c1 2322999706 YGQKLMOIPAPJEM-UHFFFAOYSA-N 324.896 5.365 30 10 DKEE CC(C)(C)[C@](C)(CS)CSCc1ccccc1Cl 2327087384 CTVOLVDWIFJQFR-OAHLLOKOSA-N 302.936 5.555 30 10 DKEE C[C@H](Nc1cccc(F)c1C#N)c1ccc(Cl)cc1Cl 35134956 BFMYEBQOXSNQLS-VIFPVBQESA-N 309.171 5.177 30 10 DKEE N#Cc1cc(N[C@@H](c2cccs2)C2CCCC2)ccc1Cl 37282162 JMPDAOSKJVTBKN-QGZVFWFLSA-N 316.857 5.617 30 10 DKEE CCCCCCCNCc1ccc(OCCCCCCC)cc1 100027326 CFAKTYUAGSMPOH-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE N#Cc1ccc(Nc2ccc(F)c(C(F)(F)F)c2)cc1Cl 110254717 XURTWRGEZOFINF-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCCCC[C@@](C)(O)c1ccc(C)s1 126946062 IBTXSUQIAOAIPT-LJQANCHMSA-N 310.547 6.575 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc2ccccc2s1 162314403 MPVPNLNYVQBKHT-QGZVFWFLSA-N 303.515 6.432 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(F)ccc1C(F)(F)F 164158433 LAXXHTLIJWTTOB-HNNXBMFYSA-N 303.343 5.242 30 10 DKEE Cc1cccc(CSc2ccc(C(F)(F)F)c(C#N)c2)c1 164518727 METWPEWLBYVVLC-UHFFFAOYSA-N 307.340 5.178 30 10 DKEE CCCCCCCCC(=O)c1cccc(Br)c1C 164752000 RSIQLCQWQQEDKX-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CC[C@H](Nc1cccc(Br)c1C#N)C1CCCCC1 168528564 FXTPTLOCFDGJFO-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE O=C(/C=C\c1cccc(Cl)c1)c1cc(Cl)ccc1Cl 212577155 PDPJVDLQBSWWCP-DAXSKMNVSA-N 311.595 5.543 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1F 233607562 CIDGDOFVXBGCNZ-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE ON=C1CCC=CCCC=CCC[C@@H]1SC1CCCCC1 254393447 KLONIKNSYIBQKF-SFHVURJKSA-N 307.503 5.718 30 10 DKEE Cc1ccc(O)c(C=Nc2ccc(NC3CCCCC3)cc2)c1 254557579 HWPQYQHYMCAPET-UHFFFAOYSA-N 308.425 5.196 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1cc2sccc2s1 312216959 WNOJRJDXWOFUEF-ZDUSSCGKSA-N 305.512 5.443 30 10 DKEE C[C@@H](C1CC1)N(Cc1ccccc1)C[C@@H](C#N)C1CCCCC1 397456228 NBJIWBXQDKDLRO-LAUBAEHRSA-N 310.485 5.007 30 10 DKEE C=CCCC[C@@H](C)N[C@H](C)c1cc(Cl)cc(Cl)c1F 692298422 LWEPBAVLZMBPNJ-GHMZBOCLSA-N 304.236 5.528 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695034388 GKARBKOFPREKMJ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)cc(Br)c1 715772836 KFEGHKWJRGGCEN-CZUORRHYSA-N 310.279 5.010 30 10 DKEE CCCC1CCC(C=O)(C[C@H](C)COCc2ccccc2)CC1 719590809 FLYCPAADPFCRIH-JSOIOWGOSA-N 316.485 5.405 30 10 DKEE N#CCc1ccc2sc(C(F)F)c(SC(F)(F)F)c2c1 725297321 OGLIDQROKWUDNA-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE CCCCCCCCC(=O)N1[C@@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 1866357305 YKTHKLGELCPFLK-UAFMIMERSA-N 319.533 5.697 30 10 DKEE CCCCC[C@H](CC)N(C)c1cc(Br)cc(C#N)c1 1879294062 CYFBBZJYJCSRRV-HNNXBMFYSA-N 323.278 5.116 30 10 DKEE SCCCCCCCCCOCCCOCc1ccccc1 1910811656 QIYNTESZLYHGNN-UHFFFAOYSA-N 324.530 5.270 30 10 DKEE C=CCC[C@@H](C)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1975903401 UYZAJALIGVWODD-DYESRHJHSA-N 310.437 5.075 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)C(CC)(CC)CC 1978586364 IGNKAMXPTKDXBU-HXUWFJFHSA-N 317.517 5.344 30 10 DKEE C=CCCCCCCCCNCCCCOCc1ccccc1 1995325305 IUITWNUESKEJKR-UHFFFAOYSA-N 317.517 5.490 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1sccc1Br 1996478641 STGXAPFNWCAQQR-WCQYABFASA-N 316.308 5.154 30 10 DKEE C=CC1(Cn2ccc3c(OCc4ccccc4)cccc32)CCC1 2002632431 HAQZGGBRABYPAH-UHFFFAOYSA-N 317.432 5.577 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cc2ccccc2cc1N 2013167607 DOFBQXIVMNNUHF-UHFFFAOYSA-N 316.448 5.000 30 10 DKEE CCCCCCCC/C=C/Cc1ccc2c(c1)c(=O)ccn2C 2085148157 CRXLURGORKZSES-ZHACJKMWSA-N 311.469 5.388 30 10 DKEE CCCCCCCC[C@@H](NC)c1sc(Cl)nc1Cl 2086286249 RVCWOHDCKDVEHG-SNVBAGLBSA-N 309.306 5.461 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107948585 JJLHFXBRWWIRDU-MEBBXXQBSA-N 320.691 5.900 30 10 DKEE CCCCCCCC[C@@H](NC)[C@H](O)c1cc(Cl)sc1C 2154430640 BAOKTNIMXSWYDA-GDBMZVCRSA-N 317.926 5.082 30 10 DKEE CCCCCCCCCC[C@@H](CCP(C)(C)=O)NCC 2177192291 AQCDZVWPCIEURQ-KRWDZBQOSA-N 303.471 5.508 30 10 DKEE CCCCCCCCN1CCO[C@H](c2ccc(Cl)s2)C1 2195486855 IEKMDOULAGNFQH-AWEZNQCLSA-N 315.910 5.135 30 10 DKEE C=C(c1ccccc1)[C@](N)(CC)c1ccc(Cl)c(Cl)c1 2197148060 DHNJJUCZWONEFD-QGZVFWFLSA-N 306.236 5.271 30 10 DKEE CCCC1(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)CCC1 2203953996 KXNGKOYUJNQCBL-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc(C(F)F)cs1 2206885243 KYLLYFCNLOSXPI-CQSZACIVSA-N 301.446 5.863 30 10 DKEE C=CCCCCCCCCC[C@@H](NN)c1sccc1Cl 2207442873 UYKAVJFZGZZHON-OAHLLOKOSA-N 314.926 5.603 30 10 DKEE CCCCCCCCCCCCOCC#CBr 2216932362 JFMDJJBPOXJXRV-UHFFFAOYSA-N 303.284 5.280 30 10 DKEE C=CCCCCC[C@H](Cc1cccc(Cl)c1Cl)NCC 2235757630 SMRIFSUCBCDJIP-OAHLLOKOSA-N 314.300 5.651 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)ccc1F 2239549502 KVXZJBYHLDBNRO-UHFFFAOYSA-N 301.833 5.784 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(C(F)(F)F)ccc1Cl 2287409142 QMIIGPFBNCFTLN-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1cc2sccc2s1 2292800393 TYNHCWLSFOJFQM-CYBMUJFWSA-N 309.500 5.116 30 10 DKEE C=CCCCCCCCCCc1[nH]c2ccccc2c(=O)c1C 2295064076 KBHLXIZWOSWBJV-UHFFFAOYSA-N 311.469 5.686 30 10 DKEE CCCCCCCCCOc1ccc(C=NNC)cc1Cl 2322999272 UGIMJXDYOKAGLV-UHFFFAOYSA-N 310.869 5.023 30 10 DKEE C=CCC(CC=C)[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2364095629 OKLXJCTUWAZKBF-QGZVFWFLSA-N 312.284 5.282 30 10 DKEE CCCCCCC[C@H](N)[C@H](O)c1ccc(Cl)c(Cl)c1C 2365972199 YNTFWBOVESPTHV-GOEBONIOSA-N 318.288 5.023 30 10 DKEE CCCCCn1c(/C=C/C(=O)c2ccccc2)nc2ccccc21 26462648 GVKIOJBRVCOHLT-CCEZHUSRSA-N 318.420 5.123 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1)c1cc(F)c(Cl)cc1Cl 35047975 YHHIISDXOCYZOX-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=Cc1ccc(COc2ccc3c(c2C)OC(=C(C)C)C3=O)cc1 41504321 IPAQZZNHEUPXLO-UHFFFAOYSA-N 320.388 5.086 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(F)c(F)c(F)c1 109730233 YNNYNHMYHGILQK-INIZCTEOSA-N 301.396 5.505 30 10 DKEE CCCC1CCC(C#N)(Nc2ccc(Br)cc2)CC1 110028624 LRJSLXYTXKEFOD-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE CCCCCCC[C@@]1(C)CCNC[C@@H]1c1ccccc1Cl 118868798 IHCIXKPZPOIWNR-MJGOQNOKSA-N 307.909 5.784 30 10 DKEE N#Cc1ccc(Nc2ccc(Br)c3ccccc23)cc1 123249818 PRBMKLKOIQRFKS-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cccc(C)c1Cl 157908486 KUGWERSRTBPABM-GOSISDBHSA-N 309.925 6.440 30 10 DKEE CCCCCCC[C@H](NC)c1cc(F)ccc1Br 158050180 RDNHSWRTZHMEBF-HNNXBMFYSA-N 316.258 5.209 30 10 DKEE C=CCC[C@H](NCCC)c1ccccc1OCc1ccccc1 390763754 CJZPYTGFKRUZBE-FQEVSTJZSA-N 309.453 5.273 30 10 DKEE CCCCCCCCCCSC1CCC(C(=O)O)CC1 720483946 OPBHOBWQRZNTCI-UHFFFAOYSA-N 300.508 5.504 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1c(Cl)cccc1Cl 821989361 XQZDRJMXZREOOJ-IOASZLSFSA-N 312.284 5.779 30 10 DKEE Fc1c(-c2ccccc2C(F)(F)F)cccc1C(F)(F)F 1848368116 NVESYULCKXISTR-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE C=C(C)Cn1c(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 1873522435 WYWYESJECXBZQY-UHFFFAOYSA-N 317.219 5.586 30 10 DKEE C#CC[C@@H](C[C@@H](N)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887462553 AFJSNBBKGQLTTP-GXFFZTMASA-N 316.659 5.086 30 10 DKEE CCCCCCCNc1cc(Br)c(Cl)cc1N 2003247243 MEAGYBXMMPKCKR-UHFFFAOYSA-N 319.674 5.067 30 10 DKEE CCCCCC#CC[C@@H](O)c1cccc(OCc2ccccc2)c1 2024338954 RPVPRZUSJCJOMC-JOCHJYFZSA-N 322.448 5.273 30 10 DKEE C#CCCCCCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 2025722538 LKOCJZGDALBUDX-IBGZPJMESA-N 321.464 5.110 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1ccc(F)c(Br)c1 2045998463 SORPXMVNTYCMHA-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(Br)ccc1C 2085849179 IMXHAHXQJXXMMA-INIZCTEOSA-N 311.263 5.318 30 10 DKEE CC1(CCNc2cccc(Br)c2C#N)CCCCC1 2094204502 GQJYIHQIFBJDES-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCc1cscc1-c1sc(C#N)c(N)c1-c1cccs1 2153583649 FQZZMUINTYQRKA-UHFFFAOYSA-N 316.476 5.221 30 10 DKEE CC#CCC[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164165962 OVCBGZXCBZDJDV-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=C(C)[C@H](NCCC)c1ccc(-c2ccc(Cl)cc2)s1 2164219308 ZSHNJRPIPJTIFN-KRWDZBQOSA-N 305.874 5.685 30 10 DKEE C=CC1(C[C@H](NCCC)c2cccc(Cl)c2Cl)CCC1 2168032028 WBCYTCPGNWFIHV-HNNXBMFYSA-N 312.284 5.781 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1c(Cl)cncc1Cl 2207427411 MIUPRKVHXQIWOX-OAHLLOKOSA-N 315.288 5.695 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2224370770 MICZGMDLCADYEQ-CQSZACIVSA-N 320.691 6.044 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1ccc(F)c(Cl)c1 2240619491 HRFXHPRMKQXSDU-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE N#CC1(c2ccc(Br)cc2F)CCCCCCC1 2263167430 TYAAPLNFPYOULN-UHFFFAOYSA-N 310.210 5.094 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(Cl)c(OC)cc1Cl 2266787879 OIQABUQTWGBTCA-AWEZNQCLSA-N 302.245 5.009 30 10 DKEE SCCCCCCCCCSCC1CC2(CCC2)C1 2268468652 QHRKQJGGHJGWQA-UHFFFAOYSA-N 300.577 5.960 30 10 DKEE C=CCCCCCCCSCc1nccc(Cl)c1F 2271589266 FNHCUAOLADNNIO-UHFFFAOYSA-N 301.858 5.634 30 10 DKEE C=CCC(CC=C)C(=O)c1sc(C)c(Br)c1C 2301069031 RODAOTZHBLIESL-UHFFFAOYSA-N 313.260 5.079 30 10 DKEE Cc1c(C[C@]2(C#N)CCS[C@@H](C)C2)ccc(Cl)c1Cl 2338664001 BUMXFNMSWGXCDX-BONVTDFDSA-N 314.281 5.270 30 10 DKEE CCCCCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1C 2338889199 MMLWELYXVQTXLL-CQSZACIVSA-N 302.289 5.532 30 10 DKEE CC[C@@](C=O)(C(C)C)[C@H](C)c1ccc(Cl)c(C)c1Cl 2353222175 KKHOQIIXFBTZNW-MLGOLLRUSA-N 301.257 5.657 30 10 DKEE C=CC[C@H](O)[C@@](CC=C)(c1ccccc1)c1ccc(Cl)cc1 6317508 PYLWLXGQIJJCNM-PMACEKPBSA-N 312.840 5.139 30 10 DKEE C[C@@H](Nc1ccccc1SC(F)F)c1ccc(C#N)cc1 21008946 JYACCWDLDSZPMQ-LLVKDONJSA-N 304.365 5.046 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 37936098 MPKYZORFJQFNSK-CQSZACIVSA-N 311.599 5.324 30 10 DKEE CCCCCCC[C@H](C)Nc1ccccc1SC(F)F 59089774 JDTROPGUMJGFCH-ZDUSSCGKSA-N 301.446 6.162 30 10 DKEE C[C@H](Nc1c(Cl)cccc1Cl)c1ccc(OCC#N)cc1 88168362 NLAAMKMJVHJVSY-NSHDSACASA-N 321.207 5.069 30 10 DKEE CCCCCCCCCCCCCCCCN[C@@H](C)CCN 100152807 YRUMNJWXYGPHQI-FQEVSTJZSA-N 312.586 5.795 30 10 DKEE CCCCCCCn1c(-c2cccc(C)c2)nc2ccccc21 102195295 AUZTZWPAUWEKCB-UHFFFAOYSA-N 306.453 5.982 30 10 DKEE CCCCCCCCCOc1ccc(CC[C@H](C)N)cc1OC 104739895 VYTBMLQMXZRLIF-KRWDZBQOSA-N 321.505 5.104 30 10 DKEE CCCCCCCC[C@@H](O)Cc1cc(Cl)ccc1Cl 123055655 QNFZDKYKQSCUJU-OAHLLOKOSA-N 303.273 5.647 30 10 DKEE CCCCCCCCCCCC[C@H](CS[C@@H](C)CC)NN 126619356 RDLRZPIKMKALAV-ZWKOTPCHSA-N 316.599 5.661 30 10 DKEE CCCCCCCCCCNc1ncccc1C(F)(F)F 129405362 IIANHENZYFRLMI-UHFFFAOYSA-N 302.384 5.653 30 10 DKEE CCCCCCCCCCSc1cc(C(=O)O)ccc1F 131496977 PASFHILYCCYKAT-UHFFFAOYSA-N 312.450 5.757 30 10 DKEE CCC[C@@H](N[C@@H](C)c1ccc(C#N)s1)c1ccc(F)cc1F 135084345 CFVQNQXDTRJLQE-MEDUHNTESA-N 320.408 5.090 30 10 DKEE CCCCCCCCCC(=NO)c1cc(OCC)ccc1O 254742982 FGHGCOQXRPKTCB-UHFFFAOYSA-N 307.434 5.110 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@@H]1CS[C@H](C)[C@H](C)S1 300278464 XEKJAIAYAFJTJF-QZWWFDLISA-N 315.592 5.117 30 10 DKEE CC(=O)/C(C)=C\c1ccc(-c2ccc(Br)cc2)s1 385346238 DONBSIKFOXTXSC-KTKRTIGZSA-N 321.239 5.170 30 10 DKEE Fc1cccc(CO/N=C(/c2ccc3c(c2)CCCC3)C2CC2)c1 821229884 SVWLLNQTHIERAO-XTQSDGFTSA-N 323.411 5.035 30 10 DKEE CC(C)(C)C1CCC(=NOC(=O)c2ccc(Cl)s2)CC1 1860466965 UYKGDVMAUMRIHD-UHFFFAOYSA-N 313.850 5.151 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C2CCCC2)C1 1946859075 PWGFYENAGHALTP-UZKOGDIHSA-N 324.512 5.540 30 10 DKEE C=CC[C@H](C)C[C@@H](NCCC)c1ccccc1Br 2050513206 MXWQFCSLWXTCKP-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE C=CCCCCNc1ccc2ccccc2c1Br 2059123393 KBVCGPAUOZHUPP-UHFFFAOYSA-N 304.231 5.371 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1c(Cl)cncc1Cl 2107969816 UHPLZKKIHXBGMP-IAQYHMDHSA-N 301.261 5.031 30 10 DKEE C=C(C[C@H](NCCC)c1ccc(Br)cc1)C(C)(C)C 2113418344 SFKNSIGOYRUJPW-INIZCTEOSA-N 324.306 5.482 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1cscc1Cl 2142451388 WHXQLKCBOJVNQX-OAHLLOKOSA-N 300.899 5.213 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](Cc1cccs1)c1cccs1 2152863589 FDEVETTWKBBUDU-GDBMZVCRSA-N 305.512 5.428 30 10 DKEE C[C@@H]1C[C@](C#N)(C[C@H]2CCC[C@H](C(F)(F)F)C2)CCS1 2159721852 WKUDCCSZXVZHOU-RFGFWPKPSA-N 305.409 5.171 30 10 DKEE CCCCCCCCCC[C@H](O)c1nccc(Cl)c1F 2164486327 FPRQYKTVHWIXPJ-AWEZNQCLSA-N 301.833 5.438 30 10 DKEE CCCCCCCCCCC(=O)c1snc(OC)c1Cl 2164487593 NVYNHVXUROQWTD-UHFFFAOYSA-N 317.882 5.519 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(C(F)(F)F)cc1Cl 2179258350 CQLFTQFGQAFIAW-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCCCC[C@H](N)[C@H]1SCCS[C@@H]1C 2207430802 YMUQRSKBENVUSB-IKGGRYGDSA-N 315.592 5.248 30 10 DKEE CCCCCCCCC[C@@](C)(O)CCCOCc1ccccc1 2246063898 ZSPPKZMXDDVJJG-OAQYLSRUSA-N 320.517 5.875 30 10 DKEE C=C(C)[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2254726369 IPXXOERAOBOGRN-MRXNPFEDSA-N 310.279 5.189 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265989214 FNBYLIKTEZBCJT-SUMWQHHRSA-N 324.306 5.435 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Cl)c(OC)cc1Cl 2266783463 UFNLKDWROHZGTD-CQSZACIVSA-N 302.245 5.009 30 10 DKEE COc1ccc2c(c1)CCC(=Cc1ccc(C(C)C)cc1)C2=O 2297563149 ZJBPUADNTWPCMA-UHFFFAOYSA-N 306.405 5.031 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc([C@H](C)NCC)c(C)c1C 2302230664 JTVHRVXKVKAXND-IBGZPJMESA-N 322.496 5.167 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Br)cc1Cl 2304115236 MDBTYZXUWHIVSP-UONOGXRCSA-N 317.654 5.128 30 10 DKEE CCCCCCC[C@@](C)(N)c1c(Cl)cc(F)cc1Cl 2335285774 OBVZOTWBQYHHPZ-OAHLLOKOSA-N 306.252 5.667 30 10 DKEE CCCCCC#CC[C@H](O)c1c(Cl)cc(F)cc1Cl 2340804981 OBNWVYBBKOUCIZ-AWEZNQCLSA-N 303.204 5.140 30 10 DKEE C=CC[C@@H](C)Sc1ccc(F)c(Cl)c1CNC(C)(C)C 2360374557 JXCKHKSKVPUCOQ-LLVKDONJSA-N 315.885 5.424 30 10 DKEE CC[C@@](C)(CN(C)CCCCCCCCCS)C(F)F 2361804513 MXANIJKGKQWVAT-INIZCTEOSA-N 309.510 5.260 30 10 DKEE CCN(CC)c1ccc(/C=C/C(=O)c2cc3ccccc3o2)cc1 6341487 KUAVDBXVKNBMRJ-SDNWHVSQSA-N 319.404 5.175 30 10 DKEE CCCCCCCC/C=C/CCCCCCCCOCCO 72186741 KWVPFECTOKLOBL-MDZDMXLPSA-N 312.538 6.033 30 10 DKEE CC(C)[C@H](CS)COc1ccc(Oc2ccccc2)cc1 94583077 HMXLITVUNSRMPV-HNNXBMFYSA-N 302.439 5.060 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2cc(Cl)cc(Cl)c2)cc1C 103030720 HKXIVSXAKYEGNO-WAYWQWQTSA-N 320.219 5.419 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(F)c(C(F)(F)F)c1 109924486 OHBACVQXBZGVHG-LBPRGKRZSA-N 305.359 6.005 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1cc(C(F)(F)F)ccc1F 110258714 OFDQWZIABFISTG-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(Br)cc1 114871790 VFAZMWBRCXLKAK-MRXNPFEDSA-N 313.279 5.407 30 10 DKEE CCCCCCC[C@@H](CSc1ccc(Cl)cc1)NCC 117536108 ZJTIOIIXJPTTBL-INIZCTEOSA-N 313.938 5.771 30 10 DKEE Cc1ccc(Cl)c(Nc2c(F)cc(C#N)cc2F)c1Cl 127418161 OBTBJVLKFMAJFB-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CCCCCCC[C@H](NCC)c1sccc1Br 128420044 VAFARFPAWOLXFB-ZDUSSCGKSA-N 318.324 5.522 30 10 DKEE C=CCSc1ccccc1N[C@@H](CC)c1ccc(F)cn1 161866371 QVIFIJFXYUKEKX-AWEZNQCLSA-N 302.418 5.062 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)cc2c1OCC2 228461688 BRUSULKXTPMRRB-UHFFFAOYSA-N 308.849 5.598 30 10 DKEE N#CCC1(c2cc(F)c(OCc3ccccc3)c(Cl)c2)CC1 260453318 HDPIWNNNMQTARC-UHFFFAOYSA-N 315.775 5.003 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1ccc(Cl)cc1Cl 387413039 DBRMWHQHJIQNMC-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CCCCCCCCCCC(=O)CCOCc1ccccc1 395566209 MMOXRHMWLGTPHP-UHFFFAOYSA-N 304.474 5.693 30 10 DKEE CCCCCCCC[C@@](C)(O)c1c(Cl)cccc1Cl 400953086 QCSIHJXPAVAXHW-MRXNPFEDSA-N 303.273 5.952 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)C1(C#N)CCCCCCC1 698889896 HBEZSEUJYVRINH-UHFFFAOYSA-N 320.477 5.173 30 10 DKEE C=CCSC[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 708650286 LUWLTKDLVXAXIQ-CQSZACIVSA-N 322.276 5.092 30 10 DKEE CCCCCCCCNC(=O)c1cc2ccc(Cl)cc2s1 1866263677 BGVCUFVDVIAEQK-UHFFFAOYSA-N 323.889 5.645 30 10 DKEE C[C@H](CCS)CCN(Cc1ccccc1)Cc1cccs1 1915087313 UCZQPRJEWFWOIC-INIZCTEOSA-N 319.539 5.096 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1cc(C)ccc1C 1922093006 YMSYTUBGBSTIJD-JOCHJYFZSA-N 323.480 5.117 30 10 DKEE C[C@H](N(CC[C@@H](C)CCS)Cc1ccccc1)C(C)(C)C 1931999217 WFJHURKQNYBWLL-SJORKVTESA-N 307.547 5.269 30 10 DKEE C=CC1(C[C@@H](O)c2cccc(OCc3ccccc3)c2)CCC1 1980027068 LSHPHOXSFRUYLP-HXUWFJFHSA-N 308.421 5.045 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Cl)sc1Cl 2040534820 VHYPPKKJYWQBBC-MFKMUULPSA-N 306.302 5.698 30 10 DKEE CCCC[C@](C)(C#N)c1ncc(Br)c2ccsc12 2045987848 DIBNCOAPEHRTCY-CQSZACIVSA-N 323.259 5.030 30 10 DKEE CCCCCCCCOCc1cc(Br)ccc1F 2085357094 YIJPKTNYFLANIA-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE CC(C)C(C(C)C)[C@H](C)Nc1ccc(Br)c(C#N)c1 2087328864 ABIDBQVSHCKQBT-LBPRGKRZSA-N 323.278 5.049 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc(Cl)sc1C 2098168374 CFPIGQYXLDSDPR-HNNXBMFYSA-N 302.867 5.063 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(F)cc1Cl 2139408739 MFOGVJPIVNXQBN-HNNXBMFYSA-N 307.236 5.917 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2cc(Cl)ccc2Cl)C1 2168548285 NSVZWYIOAJGTBG-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCCN[C@@H]1CS[C@@H](C(F)(F)F)C1 2189226334 ZNXIJGJKTUONBS-UONOGXRCSA-N 311.457 5.153 30 10 DKEE C=CC1(Cn2c(S)nc3cc(Cl)ccc32)CCCCC1 2189598453 PPOSHWUVKCIRKB-UHFFFAOYSA-N 306.862 5.115 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1OC 2203438028 ROXKPQAVBXNRIN-CQSZACIVSA-N 318.288 5.752 30 10 DKEE CCCCCCCC[C@@](C)(O)C[C@H](C)COCc1ccccc1 2212659920 JIEMNLADQBQJAF-PZJWPPBQSA-N 320.517 5.731 30 10 DKEE CCC(C#N)(CC)Cc1c(Br)sc2ccccc12 2217956230 WUNNUKPNGDYOCS-UHFFFAOYSA-N 322.271 5.536 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1ccc(Cl)cc1F 2240615252 AVXMKVCRQAWHOQ-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE FC(F)(F)C1CC(CSCCCCCCCS)C1 2263203748 PXXUNWIHYLNGDK-UHFFFAOYSA-N 300.455 5.188 30 10 DKEE C=C(C)CC[C@@H](OCCN)c1c(Cl)ccc(Cl)c1Cl 2276857799 LGQHNBHMCUJSPX-GFCCVEGCSA-N 322.663 5.020 30 10 DKEE CCCN[C@H](CC#CC1CC1)c1cc(Cl)c(Cl)cc1C 2286476685 ZHIIFTQKFDMJCP-QGZVFWFLSA-N 310.268 5.146 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@@H](C(F)F)CC[C@H]1N 2287194668 VAFAJICMRJXNIN-RRFJBIMHSA-N 305.478 5.007 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)s1 2294984976 VJNKCQJQXJZHJV-SNVBAGLBSA-N 316.735 5.097 30 10 DKEE C=C([C@H](NCCC)c1ccc(C(F)(F)F)s1)[Si](C)(C)C 2295259452 WVYMZHNZERNNJX-ZDUSSCGKSA-N 321.484 5.241 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Br)ccc1C 2321144230 GQLAIRGDLDNATL-HZPDHXFCSA-N 310.279 5.010 30 10 DKEE CC(=NOCc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 2330462432 RGZVZVIOQHFRAN-UHFFFAOYSA-N 315.844 5.578 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352815490 PTJYTTZOGVTVBC-WBMJQRKESA-N 300.273 5.555 30 10 DKEE Cc1ccsc1/C=C1/C(=O)c2ccccc2[C@@H]1c1ccccc1 1383502 RBZTXSSTTRDXMK-ZPBCLNFZSA-N 316.425 5.468 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(C)c1)N2 14480186 SBMMVGUQILDFKD-JQVVWYNYSA-N 317.432 5.386 30 10 DKEE Cc1ccc(C)c(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 50039181 YZVZRBWGMPYFGJ-AWEZNQCLSA-N 318.203 5.100 30 10 DKEE Cc1cc(Nc2cccc(Cl)c2C#N)ccc1Br 70138304 ZZMOMCLDUXKUJQ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccc(/C=C/C(=O)c2cc(C)cc(C)c2OC(C)C)cc1 83193846 ZBIZJRXZNMUEKO-ZHACJKMWSA-N 308.421 5.295 30 10 DKEE CCc1ccc(OCC2(CS)CCCC2)c(C(C)(C)C)c1 94582385 JNJHTQTWESKTPV-UHFFFAOYSA-N 306.515 5.416 30 10 DKEE SCC1(CSc2ccc3ccccc3c2)CCCCC1 94589280 TYIYQVKULDLGIO-UHFFFAOYSA-N 302.508 5.812 30 10 DKEE CCCCCCCCCCCCCCCNC(=O)c1ccco1 105021197 UIDZBLWCDGTEJE-UHFFFAOYSA-N 321.505 6.101 30 10 DKEE CCCCCCCCNc1c(C)cc(Br)cc1C 109903810 SJYMMOGLILHPQS-UHFFFAOYSA-N 312.295 5.838 30 10 DKEE CCCCCCC[C@H](O)c1cc(F)c(Br)cc1F 112340244 NRVVYXQHFKIZKC-AWEZNQCLSA-N 321.205 5.121 30 10 DKEE CCCCCCCCNCc1ccc(F)cc1C(F)(F)F 159155600 HBQGSNVBFJRLJL-UHFFFAOYSA-N 305.359 5.295 30 10 DKEE C=CCCCNc1ccc(Br)c(Cl)c1Cl 236030767 HSGFYVMPZUNJKG-UHFFFAOYSA-N 309.034 5.134 30 10 DKEE CCCCCCSCCS[C@H]1CCCCCCC1=NO 263627781 YWBVMKNCEXJOLB-INIZCTEOSA-N 317.564 5.586 30 10 DKEE CC(C)(C#N)CCCCNc1cc(Cl)c(Cl)c(Cl)c1 404227833 DOAWDCOYKVAHSX-UHFFFAOYSA-N 319.663 5.779 30 10 DKEE CCCCCCCCNc1ccc(Br)c(C#N)c1 690185252 HQTFOZIEQQSWAL-UHFFFAOYSA-N 309.251 5.093 30 10 DKEE N#Cc1c(Br)cccc1NCCCC1CCCCC1 694033530 JYTZTKIIDULTLW-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@]1(C#N)CCCC1(C)C 698382354 YCLZDDHIIVQGCK-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CCCCCCCNC1CC(c2ccccc2Br)C1 703709569 XAIQYOREVLSKBX-UHFFFAOYSA-N 324.306 5.255 30 10 DKEE FC(F)c1cc2c(C(F)(F)F)csc2cc1C(F)(F)F 725324847 VBPRURZUXIBOPE-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE Cc1ccccc1C=Nc1ccc(Br)c(Cl)c1 1083889735 RKZBGSVZHANNGH-UHFFFAOYSA-N 308.606 5.162 30 10 DKEE Cc1cc(C)c(N=Cc2ccc(Br)s2)c(C)c1 1084563344 DNOMDVREABPBIA-UHFFFAOYSA-N 308.244 5.186 30 10 DKEE CCCCCCCCNC(=O)C[C@H](C)c1cccc(Cl)c1 1868191499 AJKUWEOTTUKMNE-HNNXBMFYSA-N 309.881 5.310 30 10 DKEE CCCCCCCCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 1868191820 AXCTWNMDBWFNPQ-OALUTQOASA-N 319.464 5.186 30 10 DKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1C 1874719715 YHAWNGRQWRTJHF-SOFGYWHQSA-N 314.812 5.175 30 10 DKEE C=C(C)CN(Cc1ccccc1)CC(C)(C)Cc1ccccc1 1901236767 ZVWFNKZGEAVCAA-UHFFFAOYSA-N 307.481 5.334 30 10 DKEE SCCCCCN(Cc1ccccc1)CC1CCCCC1 1931884022 NZBPQKUPKQIEPG-UHFFFAOYSA-N 305.531 5.169 30 10 DKEE Cc1cc(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c(C#N)c(C)n1 1946842172 LKBHFRNBDAXREY-KRWDZBQOSA-N 321.468 5.011 30 10 DKEE C=CCCCCCCOc1cc(F)c(Br)c(F)c1 2085849122 HVYVYSYVYSIALJ-UHFFFAOYSA-N 319.189 5.243 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(C(F)(F)F)c(Cl)c1 2146762774 JTSZWQKWHFBVPC-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H](O)c1cscc1Cl 2148578582 LYBZXPUKILSXMO-HZPDHXFCSA-N 317.926 5.293 30 10 DKEE CCCCCCCN(C)Cc1sc2ccccc2c1Cl 2196715511 ZBWOYHYMNUBMQD-UHFFFAOYSA-N 309.906 5.957 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2cc3sccc3s2)C1 2205528566 BAJVRVWCNZLHAB-ZBFHGGJFSA-N 305.468 5.106 30 10 DKEE C=CCCCCCCCCCNc1cccc(Cl)c1Cl 2207414004 MDDYDWNQZOMOSY-UHFFFAOYSA-N 314.300 6.712 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Br)cc1CC 2221732952 DDNRSYIQCIZAGL-MRXNPFEDSA-N 313.279 5.405 30 10 DKEE CCCCCCCCC[S@](=N)(=O)CCCCCC1CC1 2235466302 UJDFIJUETSRSOJ-FQEVSTJZSA-N 301.540 5.754 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1ccsc1Cl 2235519025 MFTULNXFJVAULS-INIZCTEOSA-N 313.938 6.359 30 10 DKEE C=C(C)CCCCC(=O)c1ccccc1OCc1ccccc1 2244650092 CMQCZIPBFPDEHE-UHFFFAOYSA-N 308.421 5.585 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(C)c(Br)c(C)c1 2271780243 BMTBGFDTLIGCMP-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](NCC)c1cc(Cl)cs1 2290435975 MDMKAIMSZOGUSY-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@H](OCCN)c1c(Cl)cccc1Cl 2293991420 JQZUPQGAOFWYAO-HNNXBMFYSA-N 318.288 5.370 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1Nc1nc(Cl)c(Cl)cc1Cl 2315465995 REQRDPDFXNVIHC-KCJUWKMLSA-N 305.636 5.199 30 10 DKEE CCSc1cccc(SCC[C@H](C)C(F)F)c1C#N 2338580389 JVXREKUDMHNILR-JTQLQIEISA-N 301.427 5.054 30 10 DKEE CCCCCCC[C@H](O)CCCc1cc(Cl)cc(Cl)c1 2366817057 NBYUNQSMDFOUFM-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE N#C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCCOCC1 2366911395 YCIKTTNOEOBAGC-MRXNPFEDSA-N 312.240 5.027 30 10 DKEE C[C@H](c1ccc(Cl)cc1)N(C)CC1(CS)CC(C)(C)C1 2371146649 KQFRTOPBWASWSW-CYBMUJFWSA-N 311.922 5.069 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCC1)c1ccc(Cl)c(Cl)c1 53714887 NDQNPXUSFCOFLX-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2cc(C)ccc2C)cc1 103029146 VSDADKFRVLRBTE-SEYXRHQNSA-N 323.436 5.291 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(F)cc1F 109901035 XSRXBYFFDOWTGK-LBPRGKRZSA-N 305.393 5.416 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(F)cc1Br 168349493 KHNOWYXXEMWPQK-HNNXBMFYSA-N 317.242 5.372 30 10 DKEE CCCCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C 169622399 ICAWXCQTUNYABR-KNTRCKAVSA-N 308.506 6.363 30 10 DKEE CCCCCCCNc1cccc2cc(Br)cnc12 227851423 METVWCWFUIEOTB-UHFFFAOYSA-N 321.262 5.380 30 10 DKEE CCCCCCCCC[C@@H](NN)c1ccc(Cl)c(F)c1 232938367 FDPWBPHRHBRHHD-MRXNPFEDSA-N 300.849 5.124 30 10 DKEE O=C(c1ccccc1)c1ccc(N=Cc2c[nH]c3ccccc23)cc1 254834635 NJSCDNPKCCBASJ-UHFFFAOYSA-N 324.383 5.150 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccsc1Cl 308356941 NOLSMFFEZOXOAR-MRXNPFEDSA-N 316.938 6.746 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 709117948 LNOCIGNNXGRUPT-ZWNOBZJWSA-N 312.240 5.242 30 10 DKEE Cc1c(C)c(C)c(CNN=C/C=C/c2ccccc2)c(C)c1C 1088693517 GNYPEKOXVGEHQA-GQJKPHSHSA-N 306.453 5.018 30 10 DKEE CCCCCCCCNC(=O)Cc1ccc(Cl)c(Cl)c1 1859575124 IEDXWYHUYBMRDF-UHFFFAOYSA-N 316.272 5.013 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(-c2cccc(C)c2)cc1 1866090161 JRXOIRMZBQHZPH-UHFFFAOYSA-N 323.480 6.351 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(F)c(Br)c1 1920430205 JEIWYHAVDGQXAG-OAHLLOKOSA-N 316.258 5.123 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](CC)CC(C)C 1922072755 XPVBZOBNASESKR-NHCUHLMSSA-N 317.517 5.200 30 10 DKEE C=C([C@H](NCC)c1ccccc1OCc1ccccc1)C(C)(C)C 1947451193 HGIDAIKVXKWZJL-NRFANRHFSA-N 323.480 5.519 30 10 DKEE CCCCCCCC[C@H](CN)N(Cc1ccccc1)[C@H](C)CC 1995333697 CNWACXSPUOREEW-TZIWHRDSSA-N 318.549 5.365 30 10 DKEE C=C(F)C[C@H](NCCC)c1c(Cl)cccc1Br 2011362526 BYLGAZGWJMXGKC-LBPRGKRZSA-N 320.633 5.017 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccc(Br)c(C)c1 2059113852 DNXLOYJNYSOMDA-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE N#Cc1sc(-c2cc(F)ccc2C(F)(F)F)cc1Cl 2080381700 YDDCXAKPTIBEGI-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE CCCCCCC[C@H](N)COc1ccc(Cl)cc1Cl 2096133983 KWFUUQOMZHPMCJ-ZDUSSCGKSA-N 304.261 5.060 30 10 DKEE C=CC1(C[C@H](NCC)c2c(C)cccc2Br)CCC1 2111711350 MWUTXDKNXKEQKW-HNNXBMFYSA-N 322.290 5.155 30 10 DKEE C=CCCC[C@H](Cc1cccc(C)c1Br)NCCC 2116494023 BVZXMWAODFNJHT-MRXNPFEDSA-N 324.306 5.025 30 10 DKEE C=CCCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1OC 2139373334 MIIKFFHEXCOJJE-CYBMUJFWSA-N 302.245 5.009 30 10 DKEE CCCCCCCCC[C@H](O)[C@H](NC)c1ccc(Cl)s1 2147654530 NRWLQNBEESASAV-BBRMVZONSA-N 317.926 5.164 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2158320223 JVYFKAYZFOGJMA-CXAGYDPISA-N 314.300 5.506 30 10 DKEE C=CCC[C@H](NCCC)c1cccc(Cl)c1C(F)(F)F 2161403163 QRGZGDKMINYBQR-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE C=C[C@@](N)(c1ccccc1)c1cc(Cl)c(Cl)c(Cl)c1 2224302730 OIYBGMXTDOIECI-OAHLLOKOSA-N 312.627 5.035 30 10 DKEE C=CCCCCCCCCOc1cc(Cl)nnc1Cl 2225692330 WJZGBKJOQVSRMS-UHFFFAOYSA-N 303.233 5.079 30 10 DKEE C=CCCCCOC[C@H](NCC)c1ccc(Cl)cc1Cl 2234040001 DACUJHSFCLYRKE-INIZCTEOSA-N 316.272 5.017 30 10 DKEE C=C(CS)COCCCCCCCCCCCCCC 2239497965 HWXRTCKOAAYTMB-UHFFFAOYSA-N 300.552 6.190 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cocc1Br 2259236728 GAQYYRARUZJWAF-HNNXBMFYSA-N 314.267 5.219 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1ccc(C(F)(F)F)s1 2294983301 DWAPLPPYMFGWJU-JTQLQIEISA-N 316.735 5.097 30 10 DKEE CCCCc1ccc(N=CC=C(O)c2ccc(Cl)cc2)cc1 2297322122 UHSAQRHXGJGMGU-UHFFFAOYSA-N 313.828 5.984 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)c(Br)cc1C 2344339882 MSCPWFZMMQJXBL-SJORKVTESA-N 324.306 5.319 30 10 DKEE C=CCC(CC=C)[C@H](O)c1ccc(C(F)(F)F)c(Cl)c1 2364036428 XMNLUCGCIFKDBB-AWEZNQCLSA-N 304.739 5.161 30 10 DKEE CCCCCCCCNc1cc(Cl)c(C(=O)O)c(Cl)c1 2366418824 AVRUFIRPVWNVJX-UHFFFAOYSA-N 318.244 5.464 30 10 DKEE CCCCCCCC[C@H](NC)c1csc(C(C)(C)F)n1 2367796855 KJAFLXSOYRAWEH-ZDUSSCGKSA-N 300.487 5.359 30 10 DKEE N#C[C@]1(Cc2cc(F)c(Cl)cc2Cl)CCCCC12CC2 2377395310 UCJNBGPBMSZXCQ-MRXNPFEDSA-N 312.215 5.539 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1cccc(Cl)c1Cl 37937168 MBPIIGWDLOVICM-ZDUSSCGKSA-N 311.599 5.324 30 10 DKEE C[C@@H](N[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1Cl 55015436 ZZTWZZANYRZLNS-SJKOYZFVSA-N 319.235 5.299 30 10 DKEE CCCCCCCCCNc1ccccc1SC(F)F 59088762 RBHXMXLZJPLLNM-UHFFFAOYSA-N 301.446 6.164 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 83194187 DXYFNHITFNSSRJ-MDZDMXLPSA-N 308.421 5.297 30 10 DKEE CSC(SC)=C1CC/C(=C\c2ccc(Cl)cc2)C1=O 103042661 LIJWOQDHJSKXNM-PKNBQFBNSA-N 310.871 5.024 30 10 DKEE CCCCCCCCOc1ccc(/C=N/Nc2ccccc2)cc1 103739927 QDGZKIDDYXGINP-RELWKKBWSA-N 324.468 5.872 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Cl)c2ncccc12 109886971 ZZHLLOUGFBHFPS-AWEZNQCLSA-N 304.865 6.049 30 10 DKEE CN(Cc1ccc(Cl)s1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110264023 HVHNPVWPUAAHKH-UMVBOHGHSA-N 324.921 5.188 30 10 DKEE CCCCCCC[C@@H](Nc1cccc(Cl)c1)C(=O)OCC 110319274 SZNNVKVZTSEHHZ-MRXNPFEDSA-N 311.853 5.044 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(C)cc1Br 125675845 PIYRKWLMUMGBPO-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cccc(F)c1Cl 158975917 QXTHAGSFNYZMEN-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(Cl)c(Br)c1 160920983 HSZFEKTYTDINNY-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ccc(CC)s1 162527016 FKHKZUQPMAUYRB-SFHVURJKSA-N 309.563 6.621 30 10 DKEE CCSc1cccc(N[C@H](C)c2ccccc2Cl)c1C#N 167582255 SVHICFUCUGHXSD-GFCCVEGCSA-N 316.857 5.497 30 10 DKEE CCCCCCCCCC1=NN2C(C)=CC(C)(C)N=C2S1 196703410 DVAIJDCYJTXWGL-UHFFFAOYSA-N 307.507 5.541 30 10 DKEE CCCc1ccccc1Nc1ccc(C#N)cc1Br 213324421 POPGKILKDYONSH-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE C=CCCCCC[C@H](NCC)c1ncc(Cl)cc1Cl 233547522 GTNPSONZLFBUSV-AWEZNQCLSA-N 301.261 5.176 30 10 DKEE N#C[C@H]1CCCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 306553358 BFAGPDSYSXGBQW-FGZHOGPDSA-N 318.464 5.161 30 10 DKEE Cc1cccc(Br)c1Nc1cccc(Cl)c1C#N 690330042 VAUXIXIKAKEHRQ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Cl)cc1C(F)(F)F 712550993 WBGGNWSMEVYOBN-AWEZNQCLSA-N 308.771 5.753 30 10 DKEE CCCCOc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871399104 AITZMLQPUXDPKS-UYRXBGFRSA-N 322.404 5.099 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCC1CCCC1)NCCC 1922071676 MPUSCKUNLSQNES-NRFANRHFSA-N 315.501 5.098 30 10 DKEE N#CC1(CSc2ccc(Br)cc2)CCCCC1 2001549659 BBYKCJLGPANBAN-UHFFFAOYSA-N 310.260 5.015 30 10 DKEE CC#CCCCCNc1cc(Br)c(Cl)cc1C 2023942697 ZVFCBOHDHFZDIG-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](CC)c1cccc(Br)c1 2035362757 DOUDUEHBUKXXOE-CZUORRHYSA-N 310.279 5.235 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(Br)c(C)c1 2040532528 FPSRBWDRQTVMMC-WBMJQRKESA-N 310.279 5.010 30 10 DKEE N#CC1(Cc2cccc(Cl)c2Cl)C[C@@H]2CC[C@H](C1)S2 2089751860 XGILTNFZZQCLOE-ODOQXGPZSA-N 312.265 5.104 30 10 DKEE C=C(C)CC[C@@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 2096541706 FKUZJHRSDGDLAG-SECBINFHSA-N 303.189 5.058 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(C)c(Br)c1C 2141905630 NBBKCSOJPWEPFL-INIZCTEOSA-N 324.306 5.592 30 10 DKEE C=CCC[C@@H](C)[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2163999154 NIOXCBNNVIPONN-SJKOYZFVSA-N 305.874 5.671 30 10 DKEE CCCC(CS)(CCC)CN(C)CC1(F)CCCCC1 2165893919 JSRARCYYDIWPKH-UHFFFAOYSA-N 303.531 5.107 30 10 DKEE C=C1CC(C[C@@H](O)c2ccc(-c3ccc(Cl)cc3)s2)C1 2182129944 XLABGIXPIFABPT-OAHLLOKOSA-N 304.842 5.458 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccc(Br)s1 2214613285 MAPNWGLQYSBSOV-LBPRGKRZSA-N 317.292 5.461 30 10 DKEE C=C[C@@H](CCCCC)Oc1ncc(Cl)cc1Br 2216924819 NWGABRKUCQAYFU-NSHDSACASA-N 318.642 5.011 30 10 DKEE C=C[C@@H](CCCCC)O[C@@H](C)C(=O)c1ccc(Cl)s1 2231095608 QNLIYJHCQSLUKY-RYUDHWBXSA-N 300.851 5.124 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1ncc(Cl)cc1Cl 2235519380 PIDTYLHFTQWREA-OAHLLOKOSA-N 315.288 5.566 30 10 DKEE CC(C)C(C(=O)[C@H](C#N)c1cccc(Cl)c1Cl)C(C)C 2235757713 NGVPARFSNJGWCK-GFCCVEGCSA-N 312.240 5.098 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1cc(Cl)ccc1F 2240620816 YWGFGJYBLZAEIA-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE C=C(C)CCCCC(=O)c1cc(C)sc1Br 2244617325 ZTPZRNABZWTXPA-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Br)c(Cl)s1 2244632086 XTNKYJDKAGCDNG-SNVBAGLBSA-N 322.699 5.300 30 10 DKEE C=C(C)CCCCc1c(Cl)ccc(Br)c1F 2244652885 PFOVLPUUYSFFFK-UHFFFAOYSA-N 305.618 5.531 30 10 DKEE CCCCCCC[C@H](OCCCN)c1cc(Cl)cs1 2276141047 LPHTWPAQAFTSNV-AWEZNQCLSA-N 303.899 5.169 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(O)c1cccc(Cl)c1Cl 2284080100 GBXNYRLOLIVTKE-KRWDZBQOSA-N 311.252 5.197 30 10 DKEE CCCCCCC[C@@H](NC)c1nc(C(F)(F)F)c(C)s1 2295508598 GIQISVJIJKBDDL-LLVKDONJSA-N 308.413 5.091 30 10 DKEE O=C(C=Cc1c[nH]c2ccccc12)c1cc(Cl)ccc1Cl 2295967974 QCIOIOBCTXQIGN-UHFFFAOYSA-N 316.187 5.371 30 10 DKEE C#CCCCCCCN[C@H](C)c1ccc(C(F)(F)F)s1 2364156670 LCMMMAJLTRXJIT-GFCCVEGCSA-N 303.393 5.001 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(C(F)(F)F)ccc1Cl 2370567713 JXJWEDAQQXBJCM-CQSZACIVSA-N 304.739 5.534 30 10 DKEE Cc1cc(C)c(/C=N/c2ccc(OC(F)(F)F)cc2)c(C)c1 4750758 PZJSCYHWXNVHIM-UFFVCSGVSA-N 307.315 5.261 30 10 DKEE CCCCCCCO[C@H](c1ccc(Cl)s1)[C@H](N)CC 103992832 XLKINVOMRQCCED-DOMZBBRYSA-N 303.899 5.167 30 10 DKEE CCCCCCCN(CCC(=O)O)c1ccc(C(C)C)cc1 105478884 IVCQENRTLSYTJE-UHFFFAOYSA-N 305.462 5.062 30 10 DKEE CCCCCCCCCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 105975365 NGVYETHCGJDQSP-MOPGFXCFSA-N 301.474 5.047 30 10 DKEE CCCCCCCCCOc1ccc(CCCN)cc1Cl 106560309 YDBWUMZSNLORAY-UHFFFAOYSA-N 311.897 5.361 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1c(Cl)cccc1Cl 109713688 AIUYZWSWJACTOR-CQSZACIVSA-N 317.300 6.038 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)c1ccc(Cl)cc1C#N 110258485 CLTPVGPRPZMNIT-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(Cl)s1)NCC 160957495 SZFDLTZRVWDZBK-CQSZACIVSA-N 301.927 5.673 30 10 DKEE CCCCCCCCCCCC[C@H](NC)c1ccc(C)s1 162511486 INDSGHAQJJGNLB-SFHVURJKSA-N 309.563 6.628 30 10 DKEE Cc1ccc(/N=C(\c2ccccc2)c2cc(C)ccc2N)cc1 195991360 BKPNFCVWMLLMSK-XTQSDGFTSA-N 300.405 5.055 30 10 DKEE CCCCCCCCOc1cc(C)c(N)cc1Br 232934505 GXBBDVNBJPSMAI-UHFFFAOYSA-N 314.267 5.079 30 10 DKEE N#Cc1ccc(Nc2nc3cc(Cl)ccc3s2)c(Cl)c1 236056704 AIJXRZJYWXLYFV-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE N#Cc1c(Cl)cccc1-c1cc(Cl)c(Cl)c(Cl)c1 1848372817 IUYLBRPBBOMNFU-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCC(=O)NC1(c2ccccc2)CCCC1 1866090160 JNYYFZHBCIEILB-UHFFFAOYSA-N 301.474 5.323 30 10 DKEE COc1ccc2ccccc2c1/C=C/C(=O)c1cc(C)ccc1C 1874580638 YJTBWDYWWCVCJH-VAWYXSNFSA-N 316.400 5.361 30 10 DKEE C=CC1CC(Nc2ccc(Cl)c(Br)c2Cl)C1 1900330787 NIWKKLZGDMQSDO-UHFFFAOYSA-N 321.045 5.132 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)CC(C)(C)O 1915421976 QSPGHGLDPXWGEN-UHFFFAOYSA-N 305.506 5.010 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)CC(C)(C)C(C)C 1918053319 NKFALJBEFOEOTC-HXUWFJFHSA-N 303.556 5.856 30 10 DKEE N#Cc1cccc(-c2csc(-c3csc(Cl)c3)n2)c1 1924603757 RKTXERFKGBFMCV-UHFFFAOYSA-N 302.811 5.064 30 10 DKEE CCc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C(C)=C(C)C)c1 1989660625 DKSVABMDKFTTJZ-UHFFFAOYSA-N 317.429 5.135 30 10 DKEE N#C[C@]1(Cc2ccc(Br)s2)CCCCC12CCC2 2053369518 ZQMHUCGWBXGHLN-OAHLLOKOSA-N 324.287 5.307 30 10 DKEE CSc1cc(C(F)F)cc(C(F)(F)F)c1C(F)(F)F 2060210066 WCNMWNZZXDNUEB-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1ccc(F)cc1Br 2065479562 JJCUSCKJWRZVOA-QKCSRTOESA-N 310.210 5.022 30 10 DKEE CCCCC[C@H](CC)Oc1cc(Br)cc(C#N)c1 2086287483 WXVBXOPAHZILEB-AWEZNQCLSA-N 310.235 5.058 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cccc(C)c1Br 2102111408 MJZQUYUYGPDMNN-YOEHRIQHSA-N 324.306 5.401 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)cc1Cl 2102112977 WMOMJOGOKQSPHV-MLGOLLRUSA-N 300.273 5.636 30 10 DKEE O=C(C=Cc1ccccc1)c1c(Cl)ccc(Cl)c1Cl 2107727596 TZLXIUJQWCXEDD-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE CCCCCCC[C@@H](C)NCc1csc(C(F)(F)F)n1 2188735909 MMOGJYSWCKNAQC-LLVKDONJSA-N 308.413 5.001 30 10 DKEE C[C@@H](N(C)CCCCCCCCCS)C(C)(C)C(F)F 2193157756 LCAGYSGYKPLXRN-CQSZACIVSA-N 309.510 5.259 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(OC)c(Cl)c1Cl 2203430705 NDIXIXANMYMCFW-ZDUSSCGKSA-N 319.272 5.786 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1ncc(SC)s1 2206887284 XKVZCMAISDVICZ-AWEZNQCLSA-N 312.548 5.432 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc2sccc2s1 2207404144 MMTMZZMYAQQHQD-AWEZNQCLSA-N 307.528 6.269 30 10 DKEE C=CCCCCCCCOc1cnc(C)c(Br)c1 2220089830 UPWIIWVSZCOYEP-UHFFFAOYSA-N 312.251 5.058 30 10 DKEE CCCCCCCc1nc2ccc(Br)c(C)c2[nH]1 2260760170 YHWFJNYIFYWERW-UHFFFAOYSA-N 309.251 5.147 30 10 DKEE CCCCCCC[C@@H](NCCC)c1csc(Cl)c1OC 2284285834 NFURZLGVSUNVJP-CQSZACIVSA-N 317.926 5.811 30 10 DKEE O=C(C=Cc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 2294299929 CLZINPYYQFUCKS-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE Cc1c(COCCCC(C)(C)C#N)ccc(Cl)c1Cl 2339520896 PBDFBEHSIUCIBG-UHFFFAOYSA-N 300.229 5.148 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352394258 OSRTVGVTKHUBNO-YGRLFVJLSA-N 304.236 5.385 30 10 DKEE C=CCCCSc1cc(Cl)c(F)cc1CN[C@H](C)CC 2362430501 JDQLPUKEAHLCSC-GFCCVEGCSA-N 315.885 5.426 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2377277121 BKYOHTGLNUBOCY-BDJLRTHQSA-N 314.231 5.785 30 10 DKEE C#Cc1cccc(N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)c1 37185177 RJDQYEBFCLQEON-SNVBAGLBSA-N 324.638 5.801 30 10 DKEE CCCC(C#N)(CCC)C(=O)Nc1c(Cl)cccc1Cl 44822655 NROAITTVBUQBDO-UHFFFAOYSA-N 313.228 5.042 30 10 DKEE CCCCCCCCCC[C@](C)(Cc1ccccc1)NC(C)=O 100300999 DTVWGXSGJKXXKM-OAQYLSRUSA-N 317.517 5.655 30 10 DKEE CCC#C[C@@H](C)[C@H](C)c1cc(C(C)(C)C)ccc1OCCC 107602262 GDZULVNDYVSIOH-SJORKVTESA-N 300.486 5.926 30 10 DKEE CCCCCCC[C@@H](NC1CC1)c1nc(C(C)(C)C)cs1 109691230 CSDYAOKPCWDNLF-OAHLLOKOSA-N 308.535 5.594 30 10 DKEE CCCCCCC[C@H](C)Nc1cccc(-c2nccs2)c1 109910124 FAHLEYFIMKTVQG-HNNXBMFYSA-N 302.487 5.971 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CS[C@@H](C)CC 115645863 VJVBPTFFQKKZQO-ZWKOTPCHSA-N 301.584 6.156 30 10 DKEE CCSc1cccc(N[C@H]2CCCc3sccc32)c1C#N 130546071 LKUMPMQCPGXBBF-AWEZNQCLSA-N 314.479 5.221 30 10 DKEE C=C(CNc1ccc(Br)cc1Cl)c1ccccc1 134358247 WRDGBDWQPCFORP-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE Cc1ccc(Br)c(Nc2cccc(Cl)c2C#N)c1 164005954 SGWJFYOZBVKJBU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE N#Cc1cc(NCc2c(Cl)oc3ccccc23)ccc1Cl 164451966 OZTFVHFYDIAXKV-UHFFFAOYSA-N 317.175 5.223 30 10 DKEE CCCCCCCOc1ccccc1/C=N/Nc1ccccc1 169876599 JIHNFIOOWYIEQI-HEHNFIMWSA-N 310.441 5.482 30 10 DKEE CCCCCCCCCCCCSc1ccc(OC)cc1 196288618 DIQLSOPNNSLWMI-UHFFFAOYSA-N 308.531 6.708 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccoc1Br 232957513 DYMGKQPGUYBGGC-CQSZACIVSA-N 316.283 5.443 30 10 DKEE CC[C@@H]1CCC[C@H](Nc2cc(Br)ccc2C#N)CC1 233921039 VRXAEYOETHENLF-DOMZBBRYSA-N 321.262 5.092 30 10 DKEE Cc1ccc(N=Cc2ccccc2OCc2ccccc2)c(C)c1 254303724 QBKVOAGXSFRFNA-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE CCCCCCC[C@@H](NCC)c1c(Cl)ccc(F)c1F 312355278 NKSXNLUJAHHLNJ-CQSZACIVSA-N 303.824 5.629 30 10 DKEE CCCCCCCCCC[C@@H](NC)C(F)(F)C(F)(F)F 692649513 PTLWFPCVXBADNV-GFCCVEGCSA-N 303.359 5.303 30 10 DKEE N#CC1([C@H](O)c2cc3cscc3s2)CCCCCCC1 693994594 MRLAVWPTJHRKBU-OAHLLOKOSA-N 305.468 5.250 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CC(C)(C)CC[C@@H]1C 713094971 SJVAKVCKJSYFEL-DOXZYTNZSA-N 322.493 5.131 30 10 DKEE CCc1cc(CC#N)c2cc(SC(F)(F)F)sc2c1 725303878 ZZMGLIGPQWYIEM-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE Cc1ccc(CO/N=C(/c2ccc(OC(C)C)cc2)C2CC2)cc1 821228260 IHCXZYOKBOSILG-QURGRASLSA-N 323.436 5.113 30 10 DKEE CCCCCCCCCCNC(=O)c1c(F)cccc1Cl 1859456392 QJZIMKNGNXZYCY-UHFFFAOYSA-N 313.844 5.350 30 10 DKEE CC[C@H](C)c1ccccc1Nc1ncc2c(c1C#N)CCCC2 1859847095 LYPJHORWPFROMH-AWEZNQCLSA-N 305.425 5.089 30 10 DKEE C=CCC(CC=C)[C@H](CCCOCc1ccccc1)NCCC 1901004618 FIRBUDZNGMSIDO-NRFANRHFSA-N 315.501 5.120 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(Br)o1 1919984116 PBFCOECAICPZKK-CQSZACIVSA-N 303.240 5.000 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Br)cs1 1920136967 FBUNGHGEBSNSON-ZDUSSCGKSA-N 304.297 5.045 30 10 DKEE O=C(C=C1CCCCC1)c1ccccc1OCc1ccccc1 1983530590 OTPYFQDAINTIAO-UHFFFAOYSA-N 306.405 5.339 30 10 DKEE C=CCCCC[C@H](NCCC)c1csc(Br)c1 2009493598 KMOSTOVVTIBNBY-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE C=CCCCCCCOc1cc(Br)ccc1Cl 2026017347 NIJKCLPSRYVZBT-UHFFFAOYSA-N 317.654 5.618 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](C)c1ccc(C2CC2)cc1 2070160689 YDXDTTKZJJEBOI-MRXNPFEDSA-N 312.416 5.018 30 10 DKEE C=CCCCCCC[C@H](N)c1cccc(Br)c1C 2085850683 YBQZYYLUJRTEKT-INIZCTEOSA-N 310.279 5.284 30 10 DKEE C=C[C@@H](C)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2116658761 RZNAQEUAKIQLJN-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=CCCCC[C@@](C)(O)c1cc2cc(Br)ccc2o1 2123112744 WDBPUCVXMGRDSP-MRXNPFEDSA-N 323.230 5.149 30 10 DKEE CCCCCCCCCc1nc(Cl)c2cc(C)sc2n1 2187977759 BLAYLZLUMRRSKG-UHFFFAOYSA-N 310.894 5.946 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1ncc(SC)s1 2207403949 LIUSJRZDLYKOOS-CQSZACIVSA-N 312.548 5.562 30 10 DKEE C=CCCCCCCC[C@@]1(O)C[C@@H](C)Sc2sccc21 2235532698 NCBXIJACRGNLCJ-RHSMWYFYSA-N 310.528 5.737 30 10 DKEE C=C[C@@H](CC)OC[C@H](NCCC)c1cc(Cl)ccc1Cl 2239489476 IYMCUZMRFOCXSQ-BBRMVZONSA-N 316.272 5.015 30 10 DKEE C=CCC(CC=C)N[C@H](CC)c1cccc(Br)c1 2313545294 UPVXVHUMHPAKCI-MRXNPFEDSA-N 308.263 5.011 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2344358765 WLAIGJNGCPVBSC-YVEFUNNKSA-N 324.306 5.319 30 10 DKEE C=CCC(CC=C)[C@H](N)c1ccc(Cl)cc1C(F)(F)F 2364086871 PEQGXJPMKSDGMK-AWEZNQCLSA-N 303.755 5.127 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1cc(F)c(Cl)cc1Cl 2377365830 NBQCQVNODNPSNT-MRXNPFEDSA-N 318.263 5.255 30 10 DKEE C=CCCC/C=C\CN(C/C=C\CCCC=C)CCCCC 33643325 QYIDRZVYKUGYIF-UBTQEXSZSA-N 303.534 6.304 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 37937256 VZLBOXRBHMFJDC-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE Cc1ccc(C)c(-c2sc(C#N)c(N)c2-c2cccs2)c1 52902298 PRSGDRJKOJPFJI-UHFFFAOYSA-N 310.447 5.214 30 10 DKEE N#C[C@@H](CCOc1ccc2ccccc2c1)c1ccc(F)cc1 57685811 JPHYQBVUGGSLPG-GOSISDBHSA-N 305.352 5.055 30 10 DKEE CC(C)c1ccc(C[C@H](C#N)c2c(F)cccc2Cl)cc1 57743980 HLFSTXKFVJCLGF-OAHLLOKOSA-N 301.792 5.452 30 10 DKEE CC[C@@H](C)Oc1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1 77086266 ILMZTKJHMIKPHG-SNVBAGLBSA-N 309.287 5.014 30 10 DKEE Cc1ccc(/C=C/C(=O)c2cc(C)c(OC(C)C)cc2C)cc1 83193664 MTQNQVBFGRGSSK-ZHACJKMWSA-N 308.421 5.295 30 10 DKEE N#Cc1ccc(CSc2ccc(Cl)c(Cl)c2)c(F)c1 88304065 SAOHJWKQPRYETO-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CC1(C)[C@@H]2CC[C@]1(C)/C(=N/C(=O)c1ccc(Cl)cc1Cl)C2 100845660 ULBSAGUHLPYFKF-TYLXLEQLSA-N 324.251 5.421 30 10 DKEE CCCCCCCCO[C@@H](CNCC)c1ccccc1Cl 110070458 KNZOVXQYXOFJGS-SFHVURJKSA-N 311.897 5.368 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Br)cc1Cl 126911901 PNOVVSLCDDXLCF-CQSZACIVSA-N 319.670 5.496 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H](C)Oc1cccc(Cl)c1 135350730 YKXAVXQFPUUEBA-MAUKXSAKSA-N 312.881 5.609 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(F)c(F)c1F 158959604 UNOABRCMLFCUMM-OAHLLOKOSA-N 301.396 5.505 30 10 DKEE C[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)c2)c2ccsc2S1 216992704 LIFFLAMILOUHPJ-XPTSAGLGSA-N 320.870 5.311 30 10 DKEE CCCCCCCCOc1nc(Cl)c(Cl)cc1Cl 226482615 DOPPGXZJBFXTPP-UHFFFAOYSA-N 310.652 5.781 30 10 DKEE CCCCCCCC[C@@H](NN)c1cscc1C(F)(F)F 383537901 CRFCMLWACOOMET-CYBMUJFWSA-N 308.413 5.022 30 10 DKEE CCCCCCC[C@@H](Cc1ccsc1Br)NC 388986188 VCGRJWJYCKDTJQ-ZDUSSCGKSA-N 318.324 5.002 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Br)oc1C 396590983 LYDMLTMLNZHJJR-CYBMUJFWSA-N 302.256 5.101 30 10 DKEE Cc1cc(O[C@@H](C)CC(C)(C)C#N)c(C)c(C)c1Br 695787417 MYODDHNZPLBONJ-NSHDSACASA-N 324.262 5.082 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@H](C#N)CC1CCCC1 698461192 XWQFGZGPNJNSAC-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cscc1Cl 711578088 OEHONCSRBGCOAT-HNNXBMFYSA-N 302.915 5.437 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CC(C)(C)CC[C@H]1C 713094972 SJVAKVCKJSYFEL-VCBZYWHSSA-N 322.493 5.131 30 10 DKEE CC(C)(C)c1ccc(C=NNc2cc(Cl)ccc2Cl)cc1 1084317191 TZSYXCPKLLBSRO-UHFFFAOYSA-N 321.251 5.737 30 10 DKEE COC1=C2CC[C@@H]3[C@H]4CC[C@@H](C)[C@]4(C)CC[C@H]3[C@@]2(C)CCC1=O 1088689512 KRJUBAZVBVUWFT-VETUKNIESA-N 316.485 5.129 30 10 DKEE CCCCCCCCCCCCNC(=O)/C(Cl)=C/Cl 1615949564 YTVAYVRKFDWEAJ-YPKPFQOOSA-N 308.293 5.343 30 10 DKEE CCCCCCCCCOc1ccc(NC(=O)CCCC)cc1 1860136264 GVZGBFJXBVZTBV-UHFFFAOYSA-N 319.489 5.945 30 10 DKEE Cc1ccccc1/C=C1\Oc2cc(OCCC(C)C)ccc2C1=O 1871409662 CTSNSAHBYQOUBN-NDENLUEZSA-N 322.404 5.036 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cccc(Cl)c1F 1892438690 BZBXCBRNWDAYEG-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C1CCC1 1892935023 UMANMHDXFHYHQK-TVQRCGJNSA-N 302.220 5.138 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(Cl)cc1Cl 1920028467 ZJMLZQMJZBBZEA-MRXNPFEDSA-N 303.273 5.952 30 10 DKEE CC(C)CN(Cc1ccccc1)CC1(CS)CCCCCC1 1931881408 HGILEAGKIHPHBH-UHFFFAOYSA-N 319.558 5.415 30 10 DKEE CCCCCCCNCc1cc(Cl)cc(Br)c1 1940929917 OYJWIMFICNSUIR-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE CCCCCCC[C@H](NC)c1cc(C)sc1Br 1951108328 QEHWBUIOWSKNTI-ZDUSSCGKSA-N 318.324 5.440 30 10 DKEE C=C(CC)CCc1c(Br)cccc1Br 1956841676 ZWKCCVLJNYRGPW-UHFFFAOYSA-N 318.052 5.110 30 10 DKEE C=CCCCC[C@H](O)c1ccc(Cl)c(Br)c1F 2009530240 YABUAQALWGSNIZ-NSHDSACASA-N 321.617 5.021 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(C)c(Br)c1C 2037106797 OQBWUPJFBQYBTM-HNNXBMFYSA-N 310.279 5.202 30 10 DKEE Cc1ccc(N=CC=C2N(C)c3ccccc3C2(C)C)c(C)c1 2040464893 KUKILXNQQJEDDT-UHFFFAOYSA-N 304.437 5.317 30 10 DKEE CCCCCCCCCCCC=Cc1ccc(C(=O)OC)cc1 2040746883 NXOVKLHEIIDXDW-UHFFFAOYSA-N 316.485 6.407 30 10 DKEE C=CC(C)(C)CCN[C@@H](C)c1ccc(C)c(Br)c1 2043811873 QJLDUGQAUNRZJV-ZDUSSCGKSA-N 310.279 5.010 30 10 DKEE CCc1cc(C(F)(F)F)c(C(F)F)cc1OC(F)(F)F 2060359257 DMXFWRUEQPAJOK-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H](C(=O)O)CCC/C(C)=C\C[C@@H]12 2069568547 FVDVQQJLECWRKH-UGVHCWCPSA-N 304.474 5.596 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1cccc(C(C)C)c1 2070170380 KPZNZYHCZVHDQV-MRXNPFEDSA-N 306.453 5.255 30 10 DKEE CCCCC[C@](C#N)(CC)Nc1cccc(Br)c1 2073343599 XKBUJDCVWOJZRE-HNNXBMFYSA-N 309.251 5.114 30 10 DKEE C#CC[C@@H](CNc1cc(Cl)c(Cl)cc1Cl)C1CC1 2076091080 GUCKPRKKRXSBJN-JTQLQIEISA-N 302.632 5.108 30 10 DKEE CCCCCCCCCC[C@@H](O)c1scc(Cl)c1Cl 2096212122 DRZZQTRVOYRLFM-CYBMUJFWSA-N 323.329 6.619 30 10 DKEE C[C@H](CC1=CCCCC1)Nc1ccc(C#N)cc1Br 2105123083 DMKQBUIWBTYVGF-GFCCVEGCSA-N 319.246 5.012 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc(Cl)ns1 2110890124 XUWVTGNQDROVRQ-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE Cc1ccc(Br)c(C(=O)C2=CC[C@H](C(C)C)CC2)c1 2125179389 ATCKOBMIFMXQCS-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCCc2ccsc21 2151712685 LLIYTWJTPONTHC-OAHLLOKOSA-N 301.480 5.516 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1ccc(Cl)c(F)c1F 2206893073 WWVFVSMPTDGQAK-MRXNPFEDSA-N 302.792 5.352 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(C)c(Br)c1 2227281734 HMMXOXFEGRPVNS-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1scnc1Cl 2235523971 LEEWHJJJMATQNV-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE C=CCCCSc1ccc(F)c(Cl)c1CNC(C)(C)C 2287179204 SURPHOKRDUYMLF-UHFFFAOYSA-N 315.885 5.426 30 10 DKEE CCCCCCCCN(C)Cc1cc(Cl)c(O)c(Cl)c1 2296269164 MKZUNIAAEUZYLQ-UHFFFAOYSA-N 318.288 5.491 30 10 DKEE CC(=NOCC(=O)c1ccc(C)c(C)c1)c1ccc(C(C)C)cc1 2318634021 XRIPOXIVNXDXLG-UHFFFAOYSA-N 323.436 5.050 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349845662 QXGMOIUCTGRULO-BMIGLBTASA-N 302.220 5.139 30 10 DKEE CCCCCCCCCCNCc1ncc(C(F)F)s1 2369569863 BQQWKUBPTXWYAR-UHFFFAOYSA-N 304.450 5.311 30 10 DKEE CSc1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)cc1 14551802 PGFLWAVTLJFTGD-SCTDSRPQSA-N 318.445 5.107 30 10 DKEE Cc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc1Cl 37306353 IHGYKIJBPJENOW-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCn1c(Cl)c(C#N)c2ccc(Cl)c(Cl)c21 71466205 YEARALXTSYBLSX-UHFFFAOYSA-N 301.604 5.273 30 10 DKEE O=C(/C=C\c1ccccc1)/C=C\c1ccc(-c2ccccc2)cc1 103044066 GOFPAMAIGLQTMP-JTFWXBGUSA-N 310.396 5.649 30 10 DKEE CCCCCCC[C@](C)(CN)N(Cc1cccs1)C(C)C 110020785 YJNNQYCPJWUXPE-GOSISDBHSA-N 310.551 5.036 30 10 DKEE Cc1ccc(Nc2cccc(Cl)c2C#N)cc1Br 110259354 GJXANMAIRJFVMC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccccc1CS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 110354959 AGRBXWFLOHQFTD-KBAYOESNSA-N 301.499 5.583 30 10 DKEE CCCCCCCCCCCC[C@H](CS[C@H](C)CC)NC 115645915 OQXYDCWTICDCDI-RTBURBONSA-N 315.611 6.417 30 10 DKEE CCCC(CS)(CCC)COc1c(F)cccc1Cl 213013785 FJAJWCNAJHQFDT-UHFFFAOYSA-N 304.858 5.374 30 10 DKEE CCCC1CCC(Nc2cc(Br)cc(C#N)c2)CC1 227611715 YYBHLMKLAVGHLQ-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CC(C)(C#N)CCCCSc1ccc(Br)cc1 232523929 YAFPYXOUYAPEMD-UHFFFAOYSA-N 312.276 5.261 30 10 DKEE CCCCCCC[C@@H](NC)c1cccc(Br)c1F 232950575 PRRHQVALRPAXJC-CQSZACIVSA-N 316.258 5.209 30 10 DKEE Cc1cc(OCCCC(C)(C)C#N)c(C)c(C)c1Br 312049521 AXLICQYKFVGTGR-UHFFFAOYSA-N 324.262 5.083 30 10 DKEE C=CCCCCCCN[C@H](C)c1cc(Cl)cc(Cl)c1F 692345191 DASPCDVOCCIEAO-GFCCVEGCSA-N 318.263 5.920 30 10 DKEE CCCCCCCCCCCCNCCC1SCCS1 693778397 YADAGDSMFLXSEX-UHFFFAOYSA-N 317.608 5.693 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1ccc(Cl)cc1Cl 695720936 PJVCEFGNAWBZFM-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=C1CCC(CNc2ccc(SC(F)(F)F)cc2)CC1 724544308 JMZHRUXOKDUZGO-UHFFFAOYSA-N 301.377 5.457 30 10 DKEE Brc1cccc2cccc(C#Cc3ccccc3)c12 725423610 UBNRNFCOMLEAQB-UHFFFAOYSA-N 307.190 5.002 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCCCC1CC1)NCCC 1902165750 ONLKIXSSMALRML-NRFANRHFSA-N 315.501 5.098 30 10 DKEE C=C(Br)CCN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1953579903 DFTAKCHOTIHHAU-HNNXBMFYSA-N 324.306 5.222 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)CC1(C#N)CCC1 1957559863 YMVBEYNOUFPEIQ-INIZCTEOSA-N 310.466 5.005 30 10 DKEE C=CCC[C@H](C)[C@](C)(N)c1ccc(OCc2ccccc2)cc1 1975929014 RPUAKPHSKHAANG-UWJYYQICSA-N 309.453 5.042 30 10 DKEE C=CCCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1OCc1ccccc1 1977491079 WOCXJCAXDZMVEP-FMWKFLBASA-N 315.501 5.095 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@H]1CCOC1 1990794117 SNHJRBHQIBMZBX-NRFANRHFSA-N 317.517 5.418 30 10 DKEE C=CCCCCCCCC[C@H](O)CCCNCc1ccccc1 1995325579 MHWXWIZCWGLHBD-NRFANRHFSA-N 317.517 5.224 30 10 DKEE CCCC[C@@](C)(C#N)Cc1cc(Cl)cc(Br)c1 2001847947 SAHVPAUZKXITPO-CQSZACIVSA-N 314.654 5.365 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(C)sc1Br 2026003362 PETROOBUZLRYES-CYBMUJFWSA-N 316.308 5.345 30 10 DKEE C=CC(C)(C)CCN[C@H](C)c1ccc(C)c(Br)c1 2043811872 QJLDUGQAUNRZJV-CYBMUJFWSA-N 310.279 5.010 30 10 DKEE N#C[C@@]1(Cc2cccc(Br)c2Cl)CCC12CCC2 2047959885 USGCYVMCOOPBCN-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE Cc1cccc(C=C2CC(C)CC(=Cc3cccc(C)c3)C2=O)c1 2053528302 DBBGGMCVJOAHAD-UHFFFAOYSA-N 316.444 5.769 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(C)cc(Br)c1 2070431968 KWBWQZWCTVXBPO-MRXNPFEDSA-N 312.295 5.292 30 10 DKEE Cc1c(Br)cccc1CC1(C#N)CCCCCCC1 2087418226 FQBGHNFXQBTQGN-UHFFFAOYSA-N 320.274 5.554 30 10 DKEE C=CC1(C[C@H](CSc2ccc(Cl)cc2)NCC)CCC1 2168024082 QVNXBUFYPUXJAJ-OAHLLOKOSA-N 309.906 5.157 30 10 DKEE C=CC1(C[C@H](O)c2ccc(C(F)(F)F)cc2Cl)CCC1 2179259227 MJPBTFAEGVASQD-ZDUSSCGKSA-N 304.739 5.139 30 10 DKEE CCCCCCCCCOCc1ncccc1Br 2223250422 SORLEIWDECPGNI-UHFFFAOYSA-N 314.267 5.111 30 10 DKEE C=CCCCCCCC[C@H](O)Cc1ccc(Cl)c(Cl)c1 2235524094 MOBPORSLMYVGLZ-HNNXBMFYSA-N 315.284 5.814 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(F)c(F)cc1Cl 2235532182 HRTFOVYGQMNYKQ-INIZCTEOSA-N 302.792 5.568 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2271835941 ZYKHRXPPCDXDIN-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277495002 HBOAMNPXDLCNBX-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE CCCN[C@H](CC=CC#CC(C)(C)C)c1cscc1Cl 2284086828 WGFNPRCOKNJJQF-MRXNPFEDSA-N 309.906 5.438 30 10 DKEE C=CCCCCCCCSCCCCCC(=O)OCC 2287074760 JECSXSSKQZNNQE-UHFFFAOYSA-N 300.508 5.370 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1csc(C)c1Br 2303641886 VQZIIJMCMROOFS-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@@H](CS)CC(C)C 2328526813 ZPPMDBIIAXOYAQ-NSHDSACASA-N 307.286 5.273 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2349840931 PKWAVTNQJKYFKL-HNNXBMFYSA-N 304.236 5.530 30 10 DKEE C=CCCCSc1cc(Cl)c(F)cc1CNC(C)(C)C 2362429277 CLKPVBIIONOOPC-UHFFFAOYSA-N 315.885 5.426 30 10 DKEE CCCCCCCCCCNc1ccc(Cl)c(C)c1Cl 2365660403 CHRSCSAVYNDLBK-UHFFFAOYSA-N 316.316 6.854 30 10 DKEE CCCCCCCC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1C 2366014885 MSHQTKIPVLXTOU-MRXNPFEDSA-N 317.256 5.265 30 10 DKEE O=C1/C(=C/c2cccc(Br)c2)CC[C@@H]1C1CCCC1 248031 FISNCXVKVOKPLG-HFQYIWAZSA-N 319.242 5.002 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 37936036 YPOASZIYSCCKPT-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE N#C[C@@H](C(=O)c1cc2ccccc2s1)c1ccccc1Cl 44268196 ZUCBQEQJWRRIAC-CYBMUJFWSA-N 311.793 5.045 30 10 DKEE CCCCCCCCOCC(=O)c1cc(Cl)sc1Cl 59526315 QLXVOUFOYMVDMR-UHFFFAOYSA-N 323.285 5.615 30 10 DKEE CC[C@@H](CS)COc1ccc(-c2ccccc2)cc1Cl 94582642 NTNKZZOJJZCQGT-CYBMUJFWSA-N 306.858 5.342 30 10 DKEE CCCCCCCCCn1cc(CNC)c2c(C)cccc21 107022180 FRLKNKRZWOYDPM-UHFFFAOYSA-N 300.490 5.420 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 109901084 HHRJAAWKWDHFNW-BJZITVGISA-N 301.499 5.591 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(Cl)sc1Cl 115062777 ZOMTVFFVLKBWDS-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE CCCCCCCCO[P+](=O)OCCCCCCCC 137918307 PLSFNSJUKGEOSL-UHFFFAOYSA-N 305.419 6.398 30 10 DKEE CCCCCCCCC[C@H](C)CCCCCCCC(=O)OC 140971211 UASPZJFGZNQSQW-IBGZPJMESA-N 312.538 6.667 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(C(F)(F)F)ccc1N 158447885 MJQLKVRQIDAALP-OAHLLOKOSA-N 303.368 5.072 30 10 DKEE N#Cc1cc(Sc2ccc(F)cc2F)ccc1C(F)(F)F 164514832 VMTGANOYVAMPON-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE CCC[C@H](Nc1cccc(SCC)c1C#N)c1cccs1 167585921 NVCNFAKJTJKQCP-HNNXBMFYSA-N 316.495 5.685 30 10 DKEE CCCCCCCCCCCC[N+](C)(C)Cc1ccc(F)cc1 205128357 FJWBBCFNQZARCH-UHFFFAOYSA-N 322.532 6.323 30 10 DKEE N#Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 247651492 NPDYEKFEFVFGBE-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE Cc1ccc(C=Nc2cccc(-c3nc4ccccc4o3)c2)s1 252605869 GNTWQGIZZRQNAN-UHFFFAOYSA-N 318.401 5.615 30 10 DKEE C(=NN(c1ccccc1)c1ccccc1)c1cccc2ccccc12 254700364 BLIDFPNLZBTAAL-UHFFFAOYSA-N 322.411 6.012 30 10 DKEE C[C@H](c1ccc(Br)cc1)C1(C=O)CCC(C)(C)CC1 318894380 IQMBNOBLNZNSFN-CYBMUJFWSA-N 323.274 5.338 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(F)c(Br)c1F 691627713 AVWLIFSANXNORV-GFCCVEGCSA-N 320.221 5.088 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](CC)CC1 698379014 QPDCADIOTODYIQ-FRQCXROJSA-N 322.493 5.275 30 10 DKEE C=C(C)Cn1c(-c2ccccc2OCCC)nc2ccccc21 1873521232 HLVRPOJRFRKSAA-UHFFFAOYSA-N 306.409 5.068 30 10 DKEE CCCCCCCCC[C@@H](NC)c1sc(Cl)nc1Cl 1886666675 XPBKIXCYRFEXSD-LLVKDONJSA-N 323.333 5.851 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 1984521167 FVVZILRISOMSTH-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE O=C(C=Cc1csc(-c2ccco2)n1)c1ccc(Cl)s1 2041593680 FZOUENZZPPFXLA-UHFFFAOYSA-N 321.810 5.014 30 10 DKEE CCN[C@@H](CC#CC1CCCCC1)c1scc(C)c1Cl 2149857804 MAJLBSIPUJMCDQ-HNNXBMFYSA-N 309.906 5.334 30 10 DKEE CCSc1cccc(N(C)Cc2cc(Cl)cs2)c1C#N 2150393325 MEZCXOCWUNYYBS-UHFFFAOYSA-N 322.886 5.022 30 10 DKEE CCCCCCC[C@@H](NCC)c1ncc(C(F)(F)F)s1 2156075233 MWPPHQCZTQPNSM-LLVKDONJSA-N 308.413 5.173 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@@H]1O 2172977547 DZJIOFULGQQDTA-UWVAXJGDSA-N 302.439 5.281 30 10 DKEE C[C@](F)(CNc1cc(Cl)cc(C(F)(F)F)c1)C(F)(F)F 2191838395 BTWFOBORHKAQIZ-VIFPVBQESA-N 323.639 5.061 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1snc(Cl)c1Cl 2259234757 GNGYPWVEOKXKEU-JTQLQIEISA-N 307.290 5.237 30 10 DKEE C=CCCCCCCCSCCCCCCCCCS 2287176937 CMWHYWAUYIEDLQ-UHFFFAOYSA-N 316.620 6.907 30 10 DKEE C=CCCCCC[C@H](OCCCN)c1cc(C)c(Cl)s1 2292900492 WACHESSFWOSPRQ-AWEZNQCLSA-N 315.910 5.253 30 10 DKEE Cc1ccc(NN=Cc2cccc(OCc3ccccc3)c2)cc1 2321698351 OOBUMXWAUUBYOL-UHFFFAOYSA-N 316.404 5.020 30 10 DKEE Cc1c(Cl)ccc(Nc2cccc(Cl)c2C#N)c1Cl 2340136218 AVOGTQYJYUTIDL-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=C[C@H](C)C[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2347979632 BDJTYSAJOLATEF-BONVTDFDSA-N 324.306 5.155 30 10 DKEE CCCC[C@](C=O)(CC)Cc1cc(F)c(Cl)cc1Cl 2349886316 MVYICMQIWWZHNK-OAHLLOKOSA-N 305.220 5.461 30 10 DKEE Cc1cccc(/C=C2\CC(C)C/C(=C\c3cccc(C)c3)C2=O)c1 5710708 DBBGGMCVJOAHAD-NNFYUIBOSA-N 316.444 5.769 30 10 DKEE COc1ccccc1-c1ccc(/C=C/C(=O)c2ccc(C)cc2)o1 6190130 CQDMOKZWOAEXEK-ACCUITESSA-N 318.372 5.160 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 37938206 WMHFOWVVEZSNAZ-CQSZACIVSA-N 311.599 5.324 30 10 DKEE O=C(/C=C/c1ccc(F)cc1)c1ccc(Cc2ccccc2)cc1 83193386 DREHCIRFMWUNFE-XNTDXEJSSA-N 316.375 5.313 30 10 DKEE CCCCCCCNC[C@H](C)Oc1ccc(C(C)(C)C)cc1 100027373 COOBWXKUOOGCGP-KRWDZBQOSA-N 305.506 5.311 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1 114875252 XGJNYMJDWHLWQH-MRXNPFEDSA-N 303.273 6.168 30 10 DKEE CCC[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 127736644 XWYKOVZCOOXHLX-INIZCTEOSA-N 319.235 5.818 30 10 DKEE CC[C@H](N[C@@H](C)c1ccc(C#N)s1)c1ccc(Cl)cc1 134722777 MEXBWIYAFUWPPU-NHYWBVRUSA-N 304.846 5.075 30 10 DKEE CCCCCCC[C@H](NCCC)c1snnc1C(C)(C)C 139624464 GRRBLRQTTOETFY-AWEZNQCLSA-N 311.539 5.237 30 10 DKEE N#Cc1cc(Br)cc(Nc2cccc3ccccc23)c1 227604065 XSPSYWQCDFXPSX-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE C=CCC[C@@H](C)N[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 227761337 STFJJKDJCULCQP-HUUCEWRRSA-N 318.461 5.039 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)cc2c1OCC2 228475324 AASQIOUUBJVNHY-KRWDZBQOSA-N 309.881 5.286 30 10 DKEE CCCCCCCCNc1cc(Br)c(F)cc1C 232098512 GRZWCVIOODNTTA-UHFFFAOYSA-N 316.258 5.669 30 10 DKEE N#C[C@H](CSc1cc(Cl)ccc1Cl)C1CCCC1 397247913 HTYVUVOTHHDYMD-LLVKDONJSA-N 300.254 5.415 30 10 DKEE Cc1ccc(C(=O)C2=CCCCC2)cc1NC(=O)OC(C)(C)C 405592389 JOPCZLHJNRKRQI-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1cccc(SC(F)F)c1 690181579 VXIIAAQSRZNMFU-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@](C)(C#N)CC1CCCC1 698910488 NFWJRAOGWXQXBE-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C#C[C@@H](N[C@@H](c1cccs1)c1ccc(Cl)s1)C(C)(C)C 702282765 QGLJMGQVHRGTMY-HIFRSBDPSA-N 323.914 5.190 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cccc(Br)c1C 715772222 IQBJAYZUWAEOCB-WBMJQRKESA-N 310.279 5.010 30 10 DKEE CCC(Cc1ccccc1)=NNc1nc(-c2ccccc2)cs1 1083943498 VVBPRVXNZSWEQY-UHFFFAOYSA-N 321.449 5.231 30 10 DKEE CCOc1ccc(/C(C)=N/OCc2cccc3ccccc23)cc1 1857938671 CIFOSFFBALFUQA-CJLVFECKSA-N 319.404 5.179 30 10 DKEE C=CCOc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 1874599583 UKZGWSUBUQJWQV-ZHACJKMWSA-N 320.432 5.381 30 10 DKEE N#CC(NCc1ccccc1)(C1CCCCC1)C1CCCCC1 1900794820 ZBCMRKKWDWERDE-UHFFFAOYSA-N 310.485 5.199 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@H](C)CCCCN[C@@H](C)CC 1901762186 KREFWXBKWBFRIW-VQTJNVASSA-N 316.533 5.012 30 10 DKEE C=CCCCCCNc1cc(C)cc(Br)c1F 1941831866 NVYGKNOZQSZORH-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccccc1[C@@H](CC)NCC 2013173723 HPHASRAURDVKFQ-OAQYLSRUSA-N 322.496 5.330 30 10 DKEE CCC(=O)/C=C/c1ccc(-c2ccc(C)cc2Br)o1 2060397805 SJUUTPIYSPDXJK-AATRIKPKSA-N 319.198 5.010 30 10 DKEE Cc1nn([C@H](c2ccc(C(C)C)cc2)C(C)C)c(Cl)c1C#N 2079876768 OGQJOFYOYDZDDM-KRWDZBQOSA-N 315.848 5.085 30 10 DKEE C=CCC[C@@H](C)[C@](C)(O)c1cc2cc(Br)ccc2o1 2102096418 NEAGNFXUSAADTC-BZNIZROVSA-N 323.230 5.005 30 10 DKEE CCC[C@@H](C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C(C)C 2144872969 KRTMKNVLUNYKKM-OCCSQVGLSA-N 312.240 5.242 30 10 DKEE CCN[C@@H](CC#CC1CCCCC1)c1ccc(SC)s1 2149856850 BWSUWQXVRDGJCH-HNNXBMFYSA-N 307.528 5.094 30 10 DKEE CCCCCCCCCC[C@H](N)c1nn(C)c(Cl)c1Cl 2150719610 CDZBNSDBDIPABL-LBPRGKRZSA-N 320.308 5.258 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(C(F)(F)F)cc1F 2164262606 ADCBPJCZKCCFCN-CYBMUJFWSA-N 309.734 5.028 30 10 DKEE C[C@@](F)(CNc1ccc(C(F)(F)F)cc1Cl)C(F)(F)F 2191843426 OOHCQGGIGUKROG-SECBINFHSA-N 323.639 5.061 30 10 DKEE CN(CCCCCCCCCS)CCC[C@H]1CC1(F)F 2196218265 DAGPRXRPDBVGEH-HNNXBMFYSA-N 307.494 5.014 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1scc(Cl)c1Cl 2273968846 NPRSWDGMXUEKSJ-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1SCc1cccc(Br)c1 2318732889 VXTMEZVIRXJNPY-DZGCQCFKSA-N 324.287 5.155 30 10 DKEE C=C1CC(N[C@@H](C)c2ccc(Cl)c(Cl)c2)(C(F)(F)F)C1 2368803617 PKMARGJRSVWLGN-VIFPVBQESA-N 324.173 5.295 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2377387696 WRSUHFYCDKHYRU-INIZCTEOSA-N 320.279 6.144 30 10 DKEE Cn1c2ccccc2c2cc(/C=C/C(=O)c3cccs3)ccc21 3898786 XLIOWNQLMHXRCM-PKNBQFBNSA-N 317.413 5.289 30 10 DKEE O=C1C=C(Nc2cccc3ccccc23)C[C@H](c2ccccc2)C1 4867767 XTCBLIFLDUUYIE-SFHVURJKSA-N 313.400 5.282 30 10 DKEE CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=C\c1ccc(C(C)C)cc1 33394785 GWCRHJDMHHYKNQ-HIBZGYDWSA-N 323.396 5.219 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154026 NNVSWCDLRHRXRQ-CKEIUWERSA-N 321.917 6.177 30 10 DKEE N#CCc1ccc(N[C@H]2CCSc3ccc(Cl)cc32)cc1 37301969 WVXSUYXJLUWDAN-INIZCTEOSA-N 314.841 5.055 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1ccc(Cl)cc1 109717572 URGVVKVOJDSZLN-LJQANCHMSA-N 309.925 6.521 30 10 DKEE C[C@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl 109947637 YBCDPGMSASDRFD-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCC[C@@H](NCC)c1sccc1Br 128420275 VAFARFPAWOLXFB-CYBMUJFWSA-N 318.324 5.522 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc2sccc2s1 162358135 FNUANFIVSNAYSV-CQSZACIVSA-N 309.544 6.493 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(C)c(Cl)s1 226670430 CPXYJCWYVKKSNH-CQSZACIVSA-N 301.927 6.111 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1sccc1OC 229285959 AQUATQLHAOYWPR-MRXNPFEDSA-N 312.519 6.101 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1c(Cl)cccc1Cl 387449383 MPBBDQYKULRBNS-INIZCTEOSA-N 316.272 5.017 30 10 DKEE CCCCCCC[C@H](C[C@@H](C)COCc1ccccc1)NCC 719133314 BYYUBOSKGPPNCO-TZIWHRDSSA-N 319.533 5.568 30 10 DKEE C=CC[C@H]1CCCC[C@H]1NCCc1cc(Cl)cc(Cl)c1 722129351 JZLKBZLUJVQNOC-WMLDXEAASA-N 312.284 5.260 30 10 DKEE C=C1CCC(C[C@@H](CSc2ccccc2Cl)NC)CC1 724588256 IAYNKVBKZYYWON-HNNXBMFYSA-N 309.906 5.157 30 10 DKEE C=C1CCC(C[C@@H](NC)c2ccc(Br)c(C)c2)CC1 724603368 VMKNAGKQBALOOG-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE N#CCc1sc2cccc(SC(F)(F)F)c2c1Cl 725286409 STFTVWZSLGIYCX-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCC)cc1 1874573242 DCUCGIZRDBWYAD-FOCLMDBBSA-N 308.421 5.324 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(Br)s1 1919975599 DUIANXONXHNQJK-CQSZACIVSA-N 319.308 5.469 30 10 DKEE C=CC1(C[C@@H](N)c2ccc(OCc3ccccc3)cc2)CCC1 1980026157 FOMJXJIIQISMJL-HXUWFJFHSA-N 307.437 5.012 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)[C@@H](C)C1CC1 1995331562 NQDVCMDOQYMZNH-FQEVSTJZSA-N 313.529 6.204 30 10 DKEE Cc1cccc(CC2(C#N)CCC(C)CC2)c1Br 2027612360 ZZCOMNOCXOPODL-UHFFFAOYSA-N 306.247 5.020 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cc(Cl)c(Cl)s2)CC1 2061180233 XARZUZGNPYNHRM-VIFPVBQESA-N 303.254 5.620 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc(Cl)sc2Cl)C1 2061728758 OFUCIOBIALJBLO-LBPRGKRZSA-N 304.286 5.452 30 10 DKEE CC1(C)CCCC[C@@]1(C=O)Cc1cc(Cl)sc1Cl 2074819822 MTIPQMBAOQFRHK-AWEZNQCLSA-N 305.270 5.383 30 10 DKEE C=CCCCCCC[C@H](NN)c1cc(Cl)c(Cl)s1 2085842404 QITHDHOONWEVEV-NSHDSACASA-N 307.290 5.086 30 10 DKEE C[C@@H](Nc1ccc(Br)cc1C#N)C1CCCCCC1 2116849541 PQZVQGHHCHXFMF-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cc(Cl)sc1Cl 2138984783 CKNXVCQSEHYECA-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cc(Cl)ccc1Cl 2141914262 PZIXSGRGYPBAGD-INIZCTEOSA-N 300.273 5.694 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1ccc(Cl)cc1Cl 2148596094 PJMJZNJZLNFLOH-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE C=C(CC)C[C@H](NCCC)c1scc(Br)c1C 2213774115 YRWFYHFNELCMLO-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C[C@@H](NCC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1Cl 2230509261 QQBMOSNOCWYAJW-SNVBAGLBSA-N 318.675 5.347 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1ccc(Cl)cc1Cl 2231538866 RBLWHLGFGYBRPF-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CCC[C@@](C=O)(CC)CN(Cc1ccccc1)Cc1ccccc1 2242050230 PHQMALLUHCWOII-QFIPXVFZSA-N 323.480 5.084 30 10 DKEE C=CCCCCCCCS[C@H]1CCCC(F)(F)[C@H]1NC 2287194352 TZQUMQLJCLAXLK-GJZGRUSLSA-N 305.478 5.022 30 10 DKEE CCCCCCC[C@@](C)(OCCCN)c1ccsc1Cl 2294442939 ZDUSCYCLTYKRHL-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c(Cl)cc1Cl 2294755895 FKZYAFUZGKWBJP-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(C(F)(F)F)s1 2295258164 HBNMCXGXGHLHQK-GFCCVEGCSA-N 305.409 5.554 30 10 DKEE SCC1(COCc2cccc(Cl)c2Cl)CCCC1 2317167862 NBPUXBWHFVFMTQ-UHFFFAOYSA-N 305.270 5.000 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccccc1Br 2321115281 DTATYEKBYWSELC-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(C)c(Br)cc1C 2321224385 KGDUGUZMURWKFF-JKSUJKDBSA-N 311.263 5.092 30 10 DKEE CCCOc1ccc(C=CC(=O)c2ccccc2Cl)cc1 2323602327 CFNMLRHHYOYXEB-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE Cc1ccc(CON=C(c2ccc3c(c2)CCCC3)C2CC2)cc1 2330306459 KLCJTFXHIJLJHV-UHFFFAOYSA-N 319.448 5.205 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2340799980 WMGPERNRDRAHCM-BMIGLBTASA-N 304.236 5.385 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSCC1CC(C(F)(F)F)C1 2352291523 VSCSXIDJKWSTIH-XIVSLSHWSA-N 314.482 5.290 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1sccc1C)[C@@H]1CC=C[C@H]21 14456074 JSMRUJMQBUJTLD-IDHHARJASA-N 323.461 5.448 30 10 DKEE Cc1ccc(N/N=C/c2c(Cl)cccc2Cl)cc1Cl 59148795 ZBFMRTZFOAZQDF-QGMBQPNBSA-N 313.615 5.401 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O 85993762 JFQBNOIJWROZGE-RLMNAFORSA-N 304.474 5.596 30 10 DKEE endogenous,in-man CCCCCCCOc1ccc(Cl)cc1[C@@H](C)NCCC 110096655 FWBXHLGCTLOVBS-OAHLLOKOSA-N 311.897 5.750 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1c(F)cccc1Cl 122633388 JRJNIXPVXWSNSY-MRXNPFEDSA-N 314.876 5.514 30 10 DKEE CCCCCCCCCNc1ccc(Br)cc1C#N 132380631 NEUZHZPIVZHJBE-UHFFFAOYSA-N 323.278 5.483 30 10 DKEE CCSc1cccc(Sc2ccc(C(C)C)cc2)c1C#N 136988873 HYJFZSJWRRFLQW-UHFFFAOYSA-N 313.491 5.945 30 10 DKEE CCCCCCC[C@H](NCCC)c1c(Cl)cccc1Cl 158068924 HISRNGSDIKAOOX-INIZCTEOSA-N 316.316 6.395 30 10 DKEE N#C[C@H](C(=O)CC1CCCCCC1)c1cccc(Cl)c1F 162031752 VLXLVLMHTPGZLP-AWEZNQCLSA-N 307.796 5.016 30 10 DKEE CCCCCCCC[C@@H](Cc1cccc(Cl)c1F)NCC 212395798 UOTSGUOUCKKKIM-INIZCTEOSA-N 313.888 5.750 30 10 DKEE N#Cc1ccc(Cl)cc1OCc1cccc(Cl)c1Cl 228814416 MXZRSZBIMVMJHF-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE C=CC[C@@H]1N(C(=O)OC(C)(C)C)CCCC[C@]12CC=CCC2 238079627 RRFRRVGRIPTXGP-QFBILLFUSA-N 305.462 5.079 30 10 DKEE CCCCCCCN(Cc1cccs1)c1ncccc1C 257626468 AMSOFTJBXBLDCN-UHFFFAOYSA-N 302.487 5.429 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1cccc(Cl)c1Cl 387377825 IVFMLTHOEMUODX-GFCCVEGCSA-N 300.273 5.116 30 10 DKEE C[C@@H](CC(C)(C)C#N)N(Cc1ccccc1)Cc1ccccc1 695844483 WWUMJEGJDVMYPU-SFHVURJKSA-N 306.453 5.017 30 10 DKEE CC(C)(C)C[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698878650 ZUTMVFSMYFOAOH-MRXNPFEDSA-N 322.493 5.275 30 10 DKEE C=C1CCC(Cn2ccc3cccc(Br)c32)CC1 724620616 YVUICIYYGSADNN-UHFFFAOYSA-N 304.231 5.150 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)CC2CCCCC2)C1 1946754827 UOCFZYHBMCQTKI-BVYCBKJFSA-N 324.512 5.397 30 10 DKEE C=C([C@@H](NCCC)c1cccc(Cl)c1Cl)C(C)(C)C 2096631592 KUVASNVTSLTZPF-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H](O)c1cscc1Cl 2148579758 TVDMMFOXKJVNMY-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C[Si](C)(C)C#CC(=O)c1ccc(-c2cccc(Cl)c2)s1 2164074092 UVOZGJWBZKDSMO-UHFFFAOYSA-N 318.901 5.132 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc(Cl)ccc1Cl 2206890291 FYMYMTRBMMQQHU-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE CCNc1cccc(C#Cc2cc(Cl)c(Cl)c(Cl)c2)c1 2232527513 OCJFGDIZHOUXGK-UHFFFAOYSA-N 324.638 5.478 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(OCc2ccccc2)cc1 2244650757 NAFOLZMJQLHLIO-OAQYLSRUSA-N 310.437 5.436 30 10 DKEE CCC[C@](C=O)(CC)CN(Cc1ccccc1)C1CCCCC1 2244800409 GIPYBGCWZBHNSA-OAQYLSRUSA-N 315.501 5.217 30 10 DKEE CC(C)C(C)(CNc1cc(Br)ccc1C#N)C(C)C 2268558929 YZKLGBQHKDEWHD-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE CCCCCCCCCn1ccc2cc(Cl)c(Cl)cc21 2283578944 ABETUGDBSUXNFU-UHFFFAOYSA-N 312.284 6.699 30 10 DKEE CCN[C@H](CC=CC#CC(C)(C)C)c1scc(C)c1Cl 2284162119 LJTOGHCDJZSZKG-CQSZACIVSA-N 309.906 5.356 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2ccc(CC)cc2)cc1 2296875783 FRIGDLWYZJYTMB-UHFFFAOYSA-N 323.436 5.236 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(Cl)sc1Cl 2315466448 WIPSRLACMNNQTC-FOGDFJRCSA-N 304.286 5.450 30 10 DKEE SCC1(COc2c(Cl)cc(Cl)cc2Cl)CCC1 94582315 ZJWHRYCQVTXXTF-UHFFFAOYSA-N 311.661 5.126 30 10 DKEE CC(C)CC1(C(=O)[C@H](C#N)c2ccc(Cl)cc2)CCCC1 94902663 CXVMTGGTCPFORW-MRXNPFEDSA-N 303.833 5.123 30 10 DKEE N#C[C@@H]1CCCC[C@H]1Nc1c(Cl)cc(Cl)cc1Cl 110161753 PFWZCPWENOAZPL-QPUJVOFHSA-N 303.620 5.141 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc2ccc(F)cc2s1 122388605 KZVDSXQVQDCUEA-OAHLLOKOSA-N 308.466 5.295 30 10 DKEE CCSc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)s2)cc1 134879220 JABVVIPQCQDAHV-OLZOCXBDSA-N 316.495 5.144 30 10 DKEE CCSc1cccc(Nc2c(F)ccc(C)c2F)c1C#N 136690921 NEXZWELFJXWHOY-UHFFFAOYSA-N 304.365 5.001 30 10 DKEE Fc1cccc(-c2ccc(C(F)(F)F)c(OC(F)F)c2)c1F 514255994 MNSUVUNOKUWHIB-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE CC1(C)CCC(C=O)(CCc2cc(Cl)cc(Cl)c2)CC1 722138540 XGTGHJRAWAMCEV-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE Clc1cc(Cl)c(N=Cc2ccccc2Cl)cc1Cl 1083995850 GNTNVNHQDZTVFO-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE N#Cc1c(N=Cc2ccc3ccccc3c2)sc2c1CCC2 1084641101 MCSHYVQUYGVZSV-UHFFFAOYSA-N 302.402 5.012 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1F)c1ccc(C)cc1C 1857935718 WWWXUHQBRTWBFK-DEDYPNTBSA-N 305.780 5.037 30 10 DKEE CC(C)c1ccc([C@H](C(=O)Nc2ccccc2C#N)C(C)C)cc1 1868178939 KHIWXNVYTXPEPW-HXUWFJFHSA-N 320.436 5.060 30 10 DKEE CCCCCCC[C@](C)(O)Cc1ccc(Cl)c(Cl)c1 1919914232 SWUVCEOLBSLBSA-INIZCTEOSA-N 303.273 5.647 30 10 DKEE CCCCCCC[C@H](N)c1sc(CC)cc1Br 1942102247 RTBLZZPTIAQDOH-ZDUSSCGKSA-N 318.324 5.433 30 10 DKEE CC1(C)CCC[C@](C=O)(CN(Cc2ccccc2)C(C)(C)C)C1 1980273170 BEOXNCRLVSJLIX-OAQYLSRUSA-N 315.501 5.073 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(C)c(Br)s1 1996474658 QQKPFWISRRSQOB-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE C=CCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 2000880670 XDOUNEBHZCHUGB-QHAWAJNXSA-N 324.512 5.419 30 10 DKEE C=C(c1ccccc1)[C@@H](CCCOCc1ccccc1)NCCC 2020530213 JFMVXCGYKFLKBU-JOCHJYFZSA-N 323.480 5.065 30 10 DKEE CC#CC[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2045767262 OVOJEEWQLYSBFK-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)cc2Br)CCC12CCC2 2047964682 IPTIPBGCIIQPFF-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE N#C[C@]1(Cc2cc(Br)ccc2Cl)CCCC12CC2 2053382766 HMBCYGAGYSBJSG-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE O=C1C(=CNc2cc(Cl)ccc2Cl)Sc2ccccc21 2053467660 PUVNFIJTZOLFCN-UHFFFAOYSA-N 322.216 5.235 30 10 DKEE Cc1cc(Br)ccc1C(=O)C1=CC[C@@H](C(C)C)CC1 2125202325 AUGUHKVFXYEILQ-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE CC[C@H](N[C@H]1CCCC[C@H]1C#N)c1ccc(Cl)cc1Cl 2143834961 BXKSGENOJIFKLH-UVBJJODRSA-N 311.256 5.116 30 10 DKEE CCCCCCCCCCCC[C@@]1(O)CCS[C@H](C)C1 2151689838 AYVJAPISZNCYET-QZTJIDSGSA-N 300.552 5.944 30 10 DKEE C=CCCCCC[C@H](NCC)c1c(F)ccc(Cl)c1F 2164181498 BVZQEBILXKKZRR-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(C(F)(F)F)cs1 2164252869 SWZINHSJYYWPOO-ZDUSSCGKSA-N 307.425 5.778 30 10 DKEE CCC#CC[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2174094712 AWZJMKRRHNUZQY-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2203793397 USUIENAHBVHXRY-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CCCCC#CCC(=O)c1ccc(SC(F)(F)F)cc1 2203877380 AGGYSINUEPLLTL-UHFFFAOYSA-N 300.345 5.065 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)c(Cl)s1 2220093441 RAEMGEQRZDUVAC-LBPRGKRZSA-N 306.302 5.971 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Cl)c(Cl)c(Cl)c1 2224316895 IPENTWFDUUBWQU-OAHLLOKOSA-N 322.707 6.181 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)cnc1Cl 2231941210 OVKMWOXKXINBND-LBPRGKRZSA-N 303.277 5.939 30 10 DKEE C=CCCCCCCCSCC(=C)B1OC(C)(C)C(C)(C)O1 2244558779 DOTVJMPKQSIEJH-UHFFFAOYSA-N 324.339 5.434 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1sc(Cl)cc1Br 2244969580 VEEYKACEVZGZJZ-LDYMZIIASA-N 322.699 5.027 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Br)cnc1C 2254008370 RYKZAWOGBCTFHA-LBPRGKRZSA-N 313.283 5.313 30 10 DKEE C=C(C)CCCC[C@@](N)(CC)c1cccc(Br)c1 2259189089 ZKINLMSTUMISPX-INIZCTEOSA-N 310.279 5.150 30 10 DKEE C=CCCC[C@@H](OCCN)c1c(Cl)ccc(Cl)c1Cl 2276120087 MTXZPEMHIPSWPT-GFCCVEGCSA-N 322.663 5.020 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(C(F)(F)F)c(Cl)c1 2287416595 AIIGZTZQJGCADQ-CQSZACIVSA-N 306.755 5.529 30 10 DKEE Cc1ccc(SC(=O)C=Cc2sc3ccccc3c2C)cc1 2297562160 KLJHZGNNUWKWBT-UHFFFAOYSA-N 324.470 5.850 30 10 DKEE CCC1(CC)CSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340137604 ZIMHZIOPNCWPFP-UHFFFAOYSA-N 317.285 5.185 30 10 DKEE CC#CCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2364551837 SJQGULNFPSPIBQ-MRXNPFEDSA-N 312.284 5.536 30 10 DKEE C#CC(C)(C)C[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377311965 ANOFDQAGHMLJLQ-OAHLLOKOSA-N 316.247 5.223 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1cccc(Cl)c1Cl 37935960 VESIWTOQVSPQEM-ZDUSSCGKSA-N 311.599 5.324 30 10 DKEE C(=N/N(c1ccccc1)c1ccccc1)\c1ccc2ccccc2n1 59165494 ZENIIUAGMKRDNV-HAVVHWLPSA-N 323.399 5.407 30 10 DKEE CCCCCCCC[C@H](C)/C=C/c1oc(OC)c(C)c(=O)c1C 60048841 JYPUJTPKNBWCGO-BUYIWHAFSA-N 320.473 5.665 30 10 DKEE CCCCCCC[C@H](NC1CC1)c1nc2c(s1)CCCC2 109691304 MBLZYAMXCPMISA-INIZCTEOSA-N 306.519 5.176 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(F)c(F)c(F)c1 109730305 BONMIDWIYLJWBH-INIZCTEOSA-N 301.396 5.505 30 10 DKEE CCCCCCCCC[C@H](O)c1cccc(Br)c1 112885498 FRQJGBVNCGJHOI-INIZCTEOSA-N 313.279 5.623 30 10 DKEE N#Cc1ccc(Sc2ccc(Cl)cc2)c(Br)c1 149361760 XRUXTSHLXLIRHB-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCc1cc(OCc2ccc(C#N)cc2Cl)ccc1Cl 162982460 TZNMXGZGHWXUOG-UHFFFAOYSA-N 306.192 5.006 30 10 DKEE N#Cc1cc(Br)ccc1Oc1cccc2ccccc12 229179579 RBAJTSWCDQXYHZ-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE Cc1ccc(C)c(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)c1 252434960 HFZATPNLDKJTEB-XYJFISCASA-N 301.499 5.750 30 10 DKEE Cc1c(-c2cc(F)cc(Oc3ccccc3)c2)ccc(N)c1C#N 253477976 ILYOKUXNMPCNGJ-UHFFFAOYSA-N 318.351 5.047 30 10 DKEE C=C/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 254525440 YDAROTPQYHWCPB-BVQSPEJPSA-N 310.481 5.631 30 10 DKEE C=CCCCCCNc1cc(F)c(Br)c(Cl)c1 310401088 JDEUXFOPTNAJRX-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccsc1Cl 312546296 YYTCXGUYXXJSGI-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE C=CCSc1ccccc1NCc1cc(C)cc(Cl)c1 395213613 LIFPQJNBRMKQOO-UHFFFAOYSA-N 303.858 5.539 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)CC1CCCC1 698461194 XWQFGZGPNJNSAC-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE CC[C@](C#N)(C(C)C)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698925836 ZASFVKCLQMRVOX-IBGZPJMESA-N 316.445 5.065 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](C(C)C)CC1 698968041 XQYKKDNKDHXJKS-LPHOPBHVSA-N 322.493 5.132 30 10 DKEE C#C[C@H](N[C@H](c1cccs1)c1ccc(Cl)s1)C(C)(C)C 702282756 QGLJMGQVHRGTMY-DZGCQCFKSA-N 323.914 5.190 30 10 DKEE CCCCCCCNCc1cc(Br)c(Cl)s1 703736347 ZAXFFBMCPZWIOA-UHFFFAOYSA-N 324.715 5.224 30 10 DKEE CC(C)(C)c1ccc(CO/N=C(/c2ccc(O)cc2)C2CC2)cc1 821234432 PKQZSRVINFDGKA-LSDHQDQOSA-N 323.436 5.021 30 10 DKEE CC(C)(C)C1CCC(=NOC(=O)CCC2CCCCC2)CC1 1860467054 YXNJVDYAXVKFDN-UHFFFAOYSA-N 307.478 5.482 30 10 DKEE CC(C)c1ccc(-c2csc(SCCCC#N)n2)cc1 1860797066 PFTYYQPKEAXVOF-UHFFFAOYSA-N 302.468 5.329 30 10 DKEE CCCCCCCCN(C)c1cccc(Br)c1C#N 1887068324 OONQJANCVWJWFG-UHFFFAOYSA-N 323.278 5.117 30 10 DKEE C#CC[C@H](C[C@@H](N)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887462555 AFJSNBBKGQLTTP-ZWNOBZJWSA-N 316.659 5.086 30 10 DKEE C=C([C@H](NCC)c1cc(Cl)cc(Cl)c1)[Si](C)(C)C 1922969258 VPMNSZYCKWHXFV-AWEZNQCLSA-N 302.321 5.078 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1scc(Br)c1C 2005345139 NWXZAWUWLNQUOX-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cc(Br)cs1 2026013637 AIONFOKXURGEIR-CQSZACIVSA-N 317.292 5.245 30 10 DKEE C#CCC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2045765381 AGADWPSHTADPOV-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE CC1(C)CC[C@H]([C@H](C#N)c2ccc(F)cc2Br)C1 2065479564 JJEJIMROYRMWHO-GWCFXTLKSA-N 310.210 5.022 30 10 DKEE CCCCCCCCCC[C@@H](N)c1scc(Cl)c1Cl 2096220541 HHLHOYMNAVSUFE-CYBMUJFWSA-N 322.345 6.586 30 10 DKEE C=CCC[C@@H](C)C[C@@H](NCCC)c1ccccc1Br 2113420105 OVYIKSBDCYHEIE-RHSMWYFYSA-N 324.306 5.482 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)cc1Cl 2136600015 PDHQCBHHYFYFSW-OAHLLOKOSA-N 322.707 6.397 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(C(F)(F)F)cs1 2164136578 ZYMJKLVJSJATOL-ZDUSSCGKSA-N 307.425 5.778 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H](CC)CCC(C)C 2186015505 GLFLSKSDHYESOX-QGZVFWFLSA-N 301.584 5.649 30 10 DKEE CCCCCCCC[C@H](N)c1c(OC)ccc(Cl)c1F 2207331871 RYUFKPBHCMLPRM-ZDUSSCGKSA-N 301.833 5.238 30 10 DKEE C=CCCN(CCCCCCN[C@@H](C)CC)Cc1ccccc1 2212281243 CSZGRQGOARWCOD-FQEVSTJZSA-N 316.533 5.013 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1scc(Br)c1C 2213776369 ZMDRFGBRGHMUFM-GXFFZTMASA-N 316.308 5.072 30 10 DKEE CCC#C[C@@H](NCC)c1ccc(-c2ccccc2Cl)s1 2233780562 AJIPEJNTNCEQHE-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CCCCCCCC[C@]1(N)C[C@H](C)Sc2sccc21 2235525024 WVGAUOXRVBQNQD-YOEHRIQHSA-N 309.544 5.703 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc2sccc2s1 2235526208 ISKSDSBEQSQLIG-AWEZNQCLSA-N 307.528 6.140 30 10 DKEE CC1(CSC[C@@H](CS)CC2CC2)CC(C(F)(F)F)C1 2271686953 ZAYBRGJNGVEMEJ-PNESKVBLSA-N 312.466 5.044 30 10 DKEE C=CCCCOc1c(Cl)cc(CNC(C)(C)C)cc1Cl 2296259214 GPWWQKCLFGVGNN-UHFFFAOYSA-N 316.272 5.227 30 10 DKEE CCCCOc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2324257527 KSFQAGJFJRBVFE-UHFFFAOYSA-N 322.404 5.099 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)sc1Cl 2339568250 NZGDUAUJEBYHTL-ZYHUDNBSSA-N 316.297 5.145 30 10 DKEE O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3ccccc3)cc2)cc1 236816 IJQHWDLCWZWVFK-XSFVSMFZSA-N 302.333 5.012 30 10 DKEE CCCCCCCCCCCCCC[C@H](C)c1ccccc1 78774342 ZUXDORPHXZKYTN-NRFANRHFSA-N 302.546 7.881 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(Br)s2)C1 87972431 RBJNMWOWGXYIAI-BXUZGUMPSA-N 312.276 5.163 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccccc2Br)C1 87972446 WLFFNOHOOVFWAO-BBRMVZONSA-N 306.247 5.102 30 10 DKEE C/C(Nc1cccc2ccccc12)=C1/Sc2ccccc2C1=O 100095113 KBVPGVOKIRVGPT-MOSHPQCFSA-N 317.413 5.472 30 10 DKEE CC1=CSC=C(/C=N\Cc2ccccc2)N1c1ccccc1 100147025 ITKGVSPKZHKALY-MOSHPQCFSA-N 306.434 5.214 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 115650292 UISWQOIULHJAGN-MRXNPFEDSA-N 321.263 6.091 30 10 DKEE CCCCCCCCCCCC[C@@]1(O)CCCS[C@H]1C 122392729 IVDHMIPZDZULSD-ZWKOTPCHSA-N 300.552 5.944 30 10 DKEE CCCCCCCCCCNCc1nc(C(C)(C)C)cs1 124126327 QAGHVAMNBXXSGP-UHFFFAOYSA-N 310.551 5.671 30 10 DKEE CCCCCCCCCCNc1ccc2scnc2c1N 129210742 ZMQKIVLBKYWTAC-UHFFFAOYSA-N 305.491 5.431 30 10 DKEE CCCCCCC[C@@H](NCC)c1csc(Br)c1 139579749 IXJDASMQZRDLMF-CYBMUJFWSA-N 318.324 5.522 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(C(F)(F)F)cc1 157911446 BUMHQUKPBQEYSK-MRXNPFEDSA-N 301.396 5.846 30 10 DKEE N#CC1(Cc2cc(F)ccc2Br)CCCCCCC1 158871946 PXDONUWBZJURFL-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE CCCCCCCCC[C@H](NC)c1ncc(Cl)cc1Cl 159714120 KPSQPSAKXUTDOK-HNNXBMFYSA-N 317.304 5.790 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(C(C)(C)C)s1 165541322 HORGPAPWIBKTMO-INIZCTEOSA-N 309.563 6.447 30 10 DKEE CC(C)c1cccc(Nc2cccc(Br)c2C#N)c1 168468165 RRLLOXPOUUBAAH-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CCCc1ccccc1Nc1cccc(Br)c1C#N 168501866 SVDGIYIPJCZHPE-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE CCCCCCCC[C@H](NCCC)c1scc(C)c1Cl 232963219 HOWHRLAFCZUIJC-HNNXBMFYSA-N 315.954 6.501 30 10 DKEE N#CC1([C@@H](O)c2cc(Cl)ccc2Cl)CCCCCCC1 236536629 CCTKBWOODFJWAV-HNNXBMFYSA-N 312.240 5.281 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2cccc(Cl)c2)C1 251766559 VRGWNYUDHWRVFQ-GZOSKZMVSA-N 304.865 5.051 30 10 DKEE C=CCCC[C@H](NCCC)c1c(C)cccc1Br 311127331 VRSSMWUEOKNQFL-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE CCCCCC[C@H](C)OCc1ccc(Br)cc1C#N 311849175 ODZGPCOYFVWIQJ-ZDUSSCGKSA-N 324.262 5.196 30 10 DKEE COc1ccc(CSc2ccc(Cl)cc2Cl)cc1C#N 322559325 WSQHEAIHHATRAS-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE CCCCCCCCC[C@H](NCC)[C@@H](C)OCc1ccccc1 404478985 QXHVEDWFQYGONM-CTNGQTDRSA-N 319.533 5.711 30 10 DKEE CCCCCCC[C@H](O)c1c(Cl)cccc1C(F)(F)F 712619137 LBLCKYMLAOGZPO-ZDUSSCGKSA-N 308.771 5.753 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 715746714 DWJLJOCBCZHPIU-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE CC(C)(C)c1ccc(C=Nc2ccc(Br)cc2)cc1 1084013990 WHBQEMWZBCDYQN-UHFFFAOYSA-N 316.242 5.497 30 10 DKEE Fc1ccc(C#Cc2ccc(F)c(C(F)(F)F)c2)cc1Cl 1614827035 ZLYXNMOREKZXBX-UHFFFAOYSA-N 316.656 5.037 30 10 DKEE CCCCCCCC[C@]1(O)C[C@@H](CC)N(Cc2ccccc2)C1 1919667575 XZQJWBNKGIKPEF-RTWAWAEBSA-N 317.517 5.153 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1cc(F)ccc1C#N)C(C)(C)C 1946839303 MLGDRWKRCXGSSG-MRXNPFEDSA-N 324.443 5.134 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC2(CCC2)C1 1976301788 DTSDYCPBZSZCBV-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)[C@H](C)C(C)C 1981291334 DEXYKULBCOZGHJ-LJQANCHMSA-N 317.517 5.319 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC(CC(C)(C)C)C1 1987813258 RHKQORFZSXYXNG-XVTSOASTSA-N 322.493 5.131 30 10 DKEE C#CC[C@@H](CN(Cc1ccccc1)[C@H](C)c1cccs1)C1CC1 1991256646 AQXNZZXCQNOUMX-XLIONFOSSA-N 323.505 5.361 30 10 DKEE C=C([C@H](NCCC)c1cccc(Br)c1)C(C)(C)C 2035435113 OTAVAWVMTVAXCT-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE C=CCCCCC[C@@](N)(CC)c1ccc(Br)cc1 2037102865 GBMKEPVICJWCJN-INIZCTEOSA-N 310.279 5.150 30 10 DKEE CCCCCCCCCC(=O)c1cc(Br)ccn1 2038241051 LWMROOYVZCCKSO-UHFFFAOYSA-N 312.251 5.168 30 10 DKEE O=CC1(Cc2cc(Cl)sc2Cl)CCC2(CC1)CC2 2074819785 MDQAPGLNAFZDDU-UHFFFAOYSA-N 303.254 5.137 30 10 DKEE Cc1cc(Cl)c(Br)cc1Nc1ccccc1C#N 2082781532 GMUIUSVDGWYRGJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCC#CC[C@@H](NC)c1cc(Cl)sc1Cl 2083442766 NLCVNCMKEFNZBV-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE N#C[C@@H](c1ccc(Br)cc1F)C1CCCCCC1 2085284922 RPMRHXHLRYVVMR-CQSZACIVSA-N 310.210 5.166 30 10 DKEE CCCCC[C@H](CC)Oc1ccc(C#N)cc1Br 2086285433 NUEIWCHHOSUZTP-ZDUSSCGKSA-N 310.235 5.058 30 10 DKEE CCC[C@]1(C)CSC(=Nc2c(Cl)ccc(C)c2Cl)N1 2090412886 XXJACHMJIPHZEV-CQSZACIVSA-N 317.285 5.185 30 10 DKEE C=CCCC[C@@H](Cc1cccc(Br)c1C)NCCC 2116494407 HJBOHWSGAHZQNI-INIZCTEOSA-N 324.306 5.025 30 10 DKEE C=CCC[C@@H](C)[C@@H](CSc1ccccc1Cl)NCCC 2158320898 PEDQBTIDFAGPFL-GDBMZVCRSA-N 311.922 5.403 30 10 DKEE C=CCC[C@@H](C)[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2164002140 GPJPMBVOKFAXPF-SJKOYZFVSA-N 305.874 5.671 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1ccsc1Cl 2164249818 OGOOPPJTFBCFSB-INIZCTEOSA-N 315.954 6.583 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)CSc2cccc(Cl)c2)CC1 2181669141 NMQNJZYPDKEQKZ-CYBMUJFWSA-N 308.874 5.384 30 10 DKEE CCCCCCCC[C@H](NN)c1ccc(C)c(F)c1Cl 2201790394 NPWUOUYKQKKUGW-AWEZNQCLSA-N 300.849 5.043 30 10 DKEE C#C[C@H](N[C@H](C)c1cc(Cl)ccc1Cl)C1CCCCC1 2203799523 ZLXQDNBPZLXBFK-PXAZEXFGSA-N 310.268 5.226 30 10 DKEE CCCCC#CC[C@@H](NCC)c1cc2sc(C)cc2s1 2203819285 MAWGCLVZDHMQMR-CQSZACIVSA-N 305.512 5.506 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(C(F)(F)F)cs1 2206886512 RNQKZMPLYYFBIA-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE C=CCCCCCCC[C@H](NC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 2235518189 DMFKLEXCRSAKHC-YVSFHVDLSA-N 315.592 5.117 30 10 DKEE CCCCCCCCCCCCOCC[C@H](C)CCS 2239498695 KJLDTVQVGJPDEZ-SFHVURJKSA-N 302.568 6.270 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1ccc(Cl)cc1F 2240615251 AVXMKVCRQAWHOQ-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1ccc(Cl)c(Cl)c1 2240615973 LCELXOFFRDRSOA-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE CCCCCCC[C@H]1CCC[C@@H](C(F)(F)C(F)(F)F)N1 2286755174 KTDHYBPUJZMULK-RYUDHWBXSA-N 301.343 5.055 30 10 DKEE O[C@@H](C#CC1CCCCC1)c1ccc(-c2cccs2)s1 2289777815 VQYDHFUFVJOZPD-AWEZNQCLSA-N 302.464 5.094 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1cc2cscc2s1 2292779128 LZFKEAQKJNTZLO-CQSZACIVSA-N 309.500 5.116 30 10 DKEE O=C(C=Cc1ccccc1Cl)C=Cc1ccccc1Cl 2293335529 OZBIBYIDJNVAOQ-UHFFFAOYSA-N 303.188 5.289 30 10 DKEE CCOc1cccc(C=CC(=O)c2ccc(OCC(C)C)cc2)c1 2295967994 RPKANUDIYALSFD-UHFFFAOYSA-N 324.420 5.016 30 10 DKEE C=C(C)CCOc1c(Cl)cc(CN[C@H](C)CC)cc1Cl 2296254260 VLVLOTSMSWFXEU-GFCCVEGCSA-N 316.272 5.227 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)sc1CNCC 2313694311 DRVVLNZOKOPNKH-UHFFFAOYSA-N 301.908 5.124 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345160820 DSIRQQBCOMEKSN-BXKDBHETSA-N 307.837 5.592 30 10 DKEE CC[C@@H]1CC[C@@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2349886954 PDTHFXJTULCSCF-BMIGLBTASA-N 303.204 5.070 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1cc(F)c(Cl)cc1Cl 2362208856 FOMQZKALDUCRRM-XMZIXOGTSA-N 316.247 5.528 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2 14456695 QMAYNARSSBVOMW-RZQQEMMASA-N 323.461 5.448 30 10 DKEE CC/C(=N\O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 20521719 OXHVTUVSQVGNAM-KNTRCKAVSA-N 324.207 5.161 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)c(C)c1 83192953 NQYMFZSFNXKYFX-MDWZMJQESA-N 324.420 5.077 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(CC)cc1 105481650 ALGZXFJWDHSMBB-UHFFFAOYSA-N 303.490 6.108 30 10 DKEE CCCCCCCC[C@@H](Cc1c(F)cccc1Cl)NCC 112899079 BUNOUEKDTRLKQW-HNNXBMFYSA-N 313.888 5.750 30 10 DKEE CCCCCCC[C@@]1(C)CCNC[C@H]1c1ccc(Cl)cc1 118849598 WXBGGCWBKQHCSC-OALUTQOASA-N 307.909 5.784 30 10 DKEE CCCCCCCCCCN[C@H](C)c1ccc(F)cc1Cl 129217071 PKLBDMZKNXUOCA-OAHLLOKOSA-N 313.888 6.270 30 10 DKEE CCCCCCCCC(=O)[C@@H](C#N)c1cccc(Cl)c1F 212210120 QFBIASXRMGEGFG-AWEZNQCLSA-N 309.812 5.406 30 10 DKEE CCO[C@@](C)(C#C[C@@](C)(CCC(C)C)OCC)CCC(C)C 238791034 GCZDIJZDAHHPDE-WOJBJXKFSA-N 310.522 5.453 30 10 DKEE CCCCCCC(=NO)c1cc(CCCCCC)c(O)cc1O 254441952 SFSRBIGVHDHUJI-UHFFFAOYSA-N 321.461 5.369 30 10 DKEE Cc1ccccc1-c1nc2cc(N=Cc3ccccc3)ccc2o1 254742671 OOOAFKFGQOFWCA-UHFFFAOYSA-N 312.372 5.554 30 10 DKEE C[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)c2ccsc2S1 695767769 FYEKSBCLZUJQJP-LKFCYVNXSA-N 320.870 5.311 30 10 DKEE CCCCCCCC(=O)c1c(Cl)cccc1C(F)(F)F 712537974 LHWFPCUVQVBPPF-UHFFFAOYSA-N 306.755 5.902 30 10 DKEE C#CCCCCC[C@@H](NCC)c1cscc1C(F)(F)F 717194548 ZPKXDBDIWBAVLZ-CQSZACIVSA-N 303.393 5.001 30 10 DKEE C=CCCC(C)(C)NCc1cccc(OCc2ccccc2)c1 717922386 VMYBDKHOYXOMTF-UHFFFAOYSA-N 309.453 5.100 30 10 DKEE CCO[C@@H]1CCC[C@@H](OCCCCCCCCCS)C1 721506219 CVWCNJNBNNHJMS-IAGOWNOFSA-N 302.524 5.011 30 10 DKEE C=C1CCC(C[C@@H](N)c2cc(C)c(Br)c(C)c2)CC1 724550733 ZSEKQAFDWPVVJT-MRXNPFEDSA-N 322.290 5.202 30 10 DKEE Cc1ccc(/C(=C/C(=O)/C=C/c2ccccc2)c2ccccc2)cc1 1082162879 IWVCSSABTYVAKD-ANEVDTJVSA-N 324.423 5.709 30 10 DKEE CC(C)(C)c1ccc(C#Cc2cccc(OC(F)(F)F)c2)cc1 1614824840 CIJJWWZKWXHVFE-UHFFFAOYSA-N 318.338 5.283 30 10 DKEE CCn1cc(C=Nc2ccc(-c3ccccc3)cc2)c2ccccc21 1772743410 YTDIYTGPOMSWLW-UHFFFAOYSA-N 324.427 6.079 30 10 DKEE Fc1cccc(-c2ccc(C(F)F)c(C(F)(F)F)c2)c1F 1848363061 LEEIJHTUNLKGMD-UHFFFAOYSA-N 308.196 5.588 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)C[C@H](C#N)C1CCC1 1915401632 WWIFRHKNKMNUNQ-APWZRJJASA-N 324.493 5.251 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)c1cccs1 1918016464 CZHCPYDRZDDUGH-HXUWFJFHSA-N 315.548 6.075 30 10 DKEE CCCN[C@H](CC#C[Si](C)(C)C)c1cc(C)c(Cl)s1 2130921541 BHUGZFXLSSCEBE-CYBMUJFWSA-N 313.970 5.022 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H](O)c1sccc1Cl 2148614335 XUHLVCFMBMEQIB-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE C=C1CCC(C[C@](N)(CC)c2ccc(Cl)c(Cl)c2)CC1 2154682764 JPTZIXOQDVMQPB-QGZVFWFLSA-N 312.284 5.694 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccsc2C(F)(F)F)C1 2168540729 NCTSNNDLYNBADZ-AWEZNQCLSA-N 301.377 5.420 30 10 DKEE CC1(C)CCC[C@@](C#N)(C(F)(F)[C@@H](F)C(F)(F)F)CC1 2175178395 ZZHCKIQBBJFQLM-MWLCHTKSSA-N 301.274 5.022 30 10 DKEE C=C(F)C[C@@H](NCCC)c1sc(C)c(C)c1Br 2215908945 LXOWWIRLSHHQJA-LLVKDONJSA-N 320.271 5.041 30 10 DKEE C[C@H](CCS)CCSc1nc(-c2ccccc2)cs1 2225897595 PKJMYKBTCAGALR-GFCCVEGCSA-N 309.525 5.248 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1cc(Cl)ccc1Cl 2231485250 ZWJOCARLLLDNAD-CHWSQXEVSA-N 300.273 5.116 30 10 DKEE CCCc1ccc(C#C[C@@H](N)c2cc(Cl)sc2Cl)cc1 2239602221 MHHSKNVZVIZNFN-CQSZACIVSA-N 324.276 5.059 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@H](C)NCC)c(C)c1 2248951618 XLQDSSHHVBJNSV-IBGZPJMESA-N 322.496 5.248 30 10 DKEE C=C([C@H](OCCCN)c1cc(Cl)sc1Cl)C(C)(C)C 2276554045 YXRONGPAYKDTKL-LBPRGKRZSA-N 322.301 5.064 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281535186 BNTIILGEZINAHV-MEDUHNTESA-N 316.272 5.255 30 10 DKEE CC[C@H]1CCC[C@](C#N)(CC2(CSC)CC(F)(F)C2)C1 2289656077 LGFGQFINSVBBFH-UONOGXRCSA-N 301.446 5.265 30 10 DKEE CCCCCCCC[C@@H](OCCCN)c1ccsc1Cl 2293412078 YQIYWIWQNDVBPZ-OAHLLOKOSA-N 317.926 5.559 30 10 DKEE C=CCCCCCCCNc1c(C)nsc1Br 2307213064 ZFPBGMHSCYAQEW-UHFFFAOYSA-N 317.296 5.153 30 10 DKEE CCOc1ccc(Cl)cc1C=CC(=O)c1ccc(Cl)cc1 2322534939 BCZSUVYDGHGFRX-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C[C@@H]1C[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)CCS1 2349797523 QPAWIDPWDWCXNG-YMTOWFKASA-N 318.244 5.100 30 10 DKEE C=C1C[C@H]2CC(NCc3cc(Cl)cc(Cl)c3)C[C@@H](C1)C2 2366806979 AZYGUFYXVAEJRX-MPYYAJLASA-N 310.268 5.218 30 10 DKEE COCc1ccc(COCCCCCCCCCS)s1 2367985246 DQXLBWOZDLMUSX-UHFFFAOYSA-N 316.532 5.072 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(Cl)c(C(F)F)s1 2371304852 BHXURGUHTFRCGS-LLVKDONJSA-N 324.868 5.594 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc(F)c(Cl)cc2Cl)CC1 2377388916 HMCXHHMQGUWVPT-INIZCTEOSA-N 316.247 5.530 30 10 DKEE CC(C)(C)C#CC=CC[C@H](O)c1cc(F)c(Cl)cc1Cl 2377428822 HIYGCTJRQIJTAJ-HNNXBMFYSA-N 315.215 5.162 30 10 DKEE Cc1cccc(/C=C2/CCC/C(=C\c3cccc(C)c3)C2=O)c1 3894987 ZZYOFKXXCCXKBI-TVGQLCNQSA-N 302.417 5.523 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1ccc(Cl)c(Cl)c1 36954242 RVCANFVKFWYLKH-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CC[C@@H](Nc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1 37268809 SMJGPVBHNMLPJE-OAHLLOKOSA-N 323.198 5.567 30 10 DKEE COc1ccccc1/C=C/C(=O)c1ccc(SC(C)C)cc1 83193111 VARTXUUIYLIEFU-JLHYYAGUSA-N 312.434 5.092 30 10 DKEE CSc1ccc(Cl)cc1C(=O)/C=C/c1ccc(Cl)cc1 83193135 OYTVBGLYINDWAV-XBXARRHUSA-N 323.244 5.611 30 10 DKEE CCOc1cc(C)c(Cl)cc1C(=O)/C=C/c1ccc(F)cc1 83193216 BWWKHQQSCQHKIT-RMKNXTFCSA-N 318.775 5.082 30 10 DKEE CCCCCCCCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 108875216 MPIRCBPZWMVITN-HINLZNOGSA-N 319.533 5.458 30 10 DKEE CCCCCCCCC1(c2ccccc2Br)CNC1 118886645 CERCQQUTGPDJLD-UHFFFAOYSA-N 324.306 5.041 30 10 DKEE CCCCCCC[C@@H](Cc1cccc(F)c1Cl)NCCC 122243510 MZGQMKMOCDBRFS-INIZCTEOSA-N 313.888 5.750 30 10 DKEE CCCCCCCC[C@H](Cc1cc(Cl)ccc1Cl)NN 123305113 VZYJSEKWWKHFDZ-OAHLLOKOSA-N 317.304 5.118 30 10 DKEE CCCCCCCCCCNc1cccc(C(F)(F)F)n1 123857569 BCYKRZVCUSVOJZ-UHFFFAOYSA-N 302.384 5.653 30 10 DKEE Cc1cc(Cl)c(Nc2c(F)cc(C#N)cc2F)cc1Cl 128268603 DACCWRFMNLJRLT-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CCCCCCCCCCn1c(S)nc2cc(C)ccc21 129433620 IJBXXJNDLLKJDC-UHFFFAOYSA-N 304.503 5.774 30 10 DKEE CCCCCCCCCCCC[C@@H](NCC)c1cscn1 157308137 IPGKVWUKAOWMDY-QGZVFWFLSA-N 310.551 6.105 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cccc(C(F)(F)F)c1F 164697839 GRWGWGRKCGGMFV-CQSZACIVSA-N 303.343 5.242 30 10 DKEE CCCCCCCOCc1ccc(Br)cc1Cl 168670051 YBRUOEFLEKORMB-UHFFFAOYSA-N 319.670 5.590 30 10 DKEE O=C(/C=C\Oc1cccc2ccccc12)c1ccc(Cl)cc1 210072939 IRWSFNZTMMSPMF-SEYXRHQNSA-N 308.764 5.269 30 10 DKEE CCCCCCCCN[C@@H](C)c1cc(Cl)sc1Cl 232934162 ILIVAPJECUIDDM-NSHDSACASA-N 308.318 6.066 30 10 DKEE Cc1cc(C)cc(N=Cc2cccc(OCc3ccccc3)c2)c1 252462886 XBUICWZIJJHGTM-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE C=C1CCC(COc2cc(Cl)ccc2Br)CC1 724573644 RIFVUUGCTUPKNN-UHFFFAOYSA-N 315.638 5.228 30 10 DKEE CCc1ccc(C#Cc2cc(C(F)(F)F)ccc2Cl)cc1 1614826583 CWVNNFCSNDNJPB-UHFFFAOYSA-N 308.730 5.321 30 10 DKEE Fc1c(-c2cccc(OC(F)(F)F)c2)cccc1C(F)(F)F 1848363990 VSARADFGODAOOF-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C=C(C)CSc1nc(-c2ccc(OC(C)C)cc2)cs1 1860804636 VQUXQVMQFADIJA-UHFFFAOYSA-N 305.468 5.266 30 10 DKEE Cc1cc(C#N)cc(C)c1OCc1cc(Cl)sc1Cl 1883059628 WQGPZXPTRKICHX-UHFFFAOYSA-N 312.221 5.122 30 10 DKEE C#CC[C@@H](C)C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 1887462794 BREOPUFMVHVDIB-MFKMUULPSA-N 318.675 5.347 30 10 DKEE CCCC[C@](C)(C#N)Cc1sc(Cl)cc1Br 1903679454 PZQAXGWRNMHBMJ-LBPRGKRZSA-N 320.683 5.427 30 10 DKEE C[C@](O)(c1cc(Cl)ccc1Cl)C1(C#N)CCCCCC1 1921081195 GALMEPBVCNUTFP-HNNXBMFYSA-N 312.240 5.065 30 10 DKEE C=CCCCCCC[C@]1(C#N)CCCCN1C(=O)OC(C)(C)C 1995169099 MODZPMSWXLCBKK-LJQANCHMSA-N 320.477 5.196 30 10 DKEE CC#CCCC[C@H](NCCC)c1cc(Cl)sc1Cl 2073667072 CAZARUMCQQUYPG-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE N#Cc1sc(-c2cccc(C(F)(F)F)c2F)cc1Cl 2080389003 YNGHRSDXEZRXJU-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C=O)CCCC(C)(C)C1 2112218235 SSUCBMDWKBINNW-DYVFJYSZSA-N 323.274 5.338 30 10 DKEE Cc1ccc(Br)cc1C(=O)C1=CC[C@@H](C(C)C)CC1 2125203420 KIEYXWSWBUMYBA-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2136615599 VVZJVNSIOYNQDX-OAHLLOKOSA-N 320.691 6.044 30 10 DKEE CC1(C)OCCC[C@]1(C#N)CCc1cc(Cl)cc(Cl)c1 2186990767 PFKGFUQPFKXCCH-MRXNPFEDSA-N 312.240 5.025 30 10 DKEE C#CC[C@@H](C)C[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2196718509 HLMWDOWGQDREOJ-DOMZBBRYSA-N 304.842 5.151 30 10 DKEE C#CC[C@@H](C)C[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2196855091 BRGJSDIKAJIXQO-IUODEOHRSA-N 303.858 5.118 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H]1SCCS[C@@H]1CC 2207410669 AKGYQKUWHWCITC-SJORKVTESA-N 314.560 5.490 30 10 DKEE C=CCCCCCCC[C@H](N)c1cccc(Br)c1C 2227284796 RVWMSDYELYBBCZ-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE C=C[C@@H](CC)OC[C@H](NCCC)c1c(Cl)cccc1Cl 2239492343 JDUXADQSGDGOBE-WFASDCNBSA-N 316.272 5.015 30 10 DKEE CC1CC(CS)(CSc2ccc(Cl)cc2Cl)C1 2246840302 AQIWYQJKXYFKDR-UHFFFAOYSA-N 307.311 5.432 30 10 DKEE C=CCCSC[C@@H](NCCC)c1cccc(Cl)c1Cl 2271581881 LWBJMVGRDMROOP-CQSZACIVSA-N 318.313 5.343 30 10 DKEE CC(C)(C)[C@@H](CS)COCc1cccc(Cl)c1Cl 2317167787 LWOSUCVPCBBSMW-LLVKDONJSA-N 307.286 5.102 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1ccc(Cl)cc1 2322528185 IOWSDNROJDMKQT-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE CC(C)CC1CC(C#N)(Sc2ccc(Br)cc2)C1 2328545377 ZGSQJKPMPOFLCG-UHFFFAOYSA-N 324.287 5.260 30 10 DKEE C=CC[C@H](C)SC[C@@H](NC)c1cc(Cl)cc(Cl)c1F 2335187567 KCUDYBGJMKSZEM-TVQRCGJNSA-N 322.276 5.091 30 10 DKEE N#C[C@@H](Nc1ccccc1)c1c(Cl)ccc(Cl)c1Cl 2339178921 FIZSWJHZZXKSPY-GFCCVEGCSA-N 311.599 5.324 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Cl)c(C(F)F)s1 2345204467 RGYNHSRZVCKLSR-CQSZACIVSA-N 310.837 5.907 30 10 DKEE C=C[C@H](C)C[C@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2364006784 KATWOYOUZMMEKC-SWLSCSKDSA-N 314.300 5.425 30 10 DKEE CC1(C)CCC[C@@]1(C=O)CCCc1cc(Cl)cc(Cl)c1 2366848990 SXYPYHLJWWZRQC-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1ccc(F)c(Cl)c1F 2370481938 INYLNXFBRRGRDD-HZPDHXFCSA-N 301.808 5.261 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2 20689509 QMAYNARSSBVOMW-JXXFODFXSA-N 323.461 5.448 30 10 DKEE CCCC(CS)(CCC)CN(Cc1cccs1)C1CC1 94581383 YIVQOLBFLYQAGE-UHFFFAOYSA-N 311.560 5.229 30 10 DKEE CCCCCCCNC[C@H](C)Oc1ccccc1[C@H](C)CC 100027394 BKEOCMZYPYSCAJ-MSOLQXFVSA-N 305.506 5.527 30 10 DKEE CCCCCCCCCCCc1nnc(Br)s1 115066499 UYECXHDNVXYUDR-UHFFFAOYSA-N 319.312 5.374 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1ccccc1Cl 115858348 SGXAGNRQRLMDOR-GOSISDBHSA-N 309.925 6.131 30 10 DKEE CCCCCCCC[C@H](NN)c1cc2ccc(F)cc2s1 122388415 KZVDSXQVQDCUEA-HNNXBMFYSA-N 308.466 5.295 30 10 DKEE CCCCCCCC[C@@H](NC)c1csc(Br)c1 140421768 KVRPCNQYVHPWAK-CYBMUJFWSA-N 318.324 5.522 30 10 DKEE CCCCCCCCC[C@H](NCC)[C@@H]1SCCS[C@H]1C 162268464 GNQCIUYBFHURAG-YESZJQIVSA-N 317.608 5.342 30 10 DKEE CSc1nc(Nc2ccccc2)cc(-c2ccccc2)c1C#N 196557599 XAVDZGNQIJJQKS-UHFFFAOYSA-N 317.417 5.086 30 10 DKEE CC[C@H](C)[C@@H](C)[C@@H](C#N)Sc1cccc(Br)c1 319747242 ITIGRKICJWQSDY-MISXGVKJSA-N 312.276 5.116 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Sc1ccc(Cl)cc1Cl 322709371 PMBTUAVCLZRGOU-GXFFZTMASA-N 300.254 5.558 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(C(F)(F)F)s1 395054838 PCQOBQKIMJEPJP-GFCCVEGCSA-N 307.425 5.778 30 10 DKEE N#CCc1c[nH]c2c(-c3cccc(C(F)(F)F)c3)ccc(F)c12 514263835 QEECFKOMUZQZBC-UHFFFAOYSA-N 318.273 5.059 30 10 DKEE CCCc1ccccc1Oc1cc(Br)ccc1C#N 699505063 COUJDMYQIFTBNX-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE Cc1c(Cl)cccc1N=C1NC2(CCCCCC2)CS1 713234577 CEJMFJUOUGKHSX-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 715718362 GJYSXKNMBUELPK-PGRDOPGGSA-N 323.480 5.519 30 10 DKEE C=C1CCC(CNc2cccc(Br)c2Cl)CC1 724592338 LGWJUXDYULJLMF-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE CCCCCCCC(=O)c1sc(C)c(Br)c1C 724965726 VMGDUNZEHHSYRA-UHFFFAOYSA-N 317.292 5.671 30 10 DKEE N#Cc1cc(C(F)F)c(SC(F)(F)F)c2ccsc12 725291192 DWUAYSKWZGJANO-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CCc1cc(SC(F)(F)F)cc2cc(CC#N)sc12 725303419 JSBYVOOXOPGQKV-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE O=CC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1 1615423894 IAQBFPATEXSPPJ-UHFFFAOYSA-N 324.264 5.125 30 10 DKEE CCCCCCCCCNC(=O)c1sc(C)nc1CCCC 1860376934 ILGZMVTURUBSHA-UHFFFAOYSA-N 324.534 5.275 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1cc(Cl)cc(Cl)c1 1893139785 SBMOVRJYKIOQSM-LBPRGKRZSA-N 300.273 5.116 30 10 DKEE C=C(C)CN(CCCCCCCNC(C)C)Cc1ccccc1 1900664388 ZPUZDZVRRXVRFO-UHFFFAOYSA-N 316.533 5.013 30 10 DKEE CC#CCCC[C@@H](NCC)c1ccccc1OCc1ccccc1 2018329043 DRHDFISXPKGCRQ-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(C)cc(Br)c1 2040533350 KODZOZAPZJSWBJ-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Cl)sc1Cl 2040534821 VHYPPKKJYWQBBC-ZWNOBZJWSA-N 306.302 5.698 30 10 DKEE C#CCCCCCC(=O)c1c(Cl)ccc(Cl)c1Cl 2045583468 XRXPDBKCILQDPI-UHFFFAOYSA-N 303.616 5.413 30 10 DKEE FC(F)c1ccc(OC(F)(F)F)c(Cl)c1C(F)(F)F 2054964106 BRJBAEJBNOTZJZ-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(C)c(Br)c(C)c1 2102111215 LFKBNIJTZIVHCC-SJKOYZFVSA-N 324.306 5.319 30 10 DKEE CCCCCCCCCCc1nc2cnc(Cl)nc2s1 2188993476 YDMOWODTUWJQFC-UHFFFAOYSA-N 311.882 5.423 30 10 DKEE CC#CCCC[C@@H](NCC)c1ccc(-c2cccs2)s1 2205876394 HJVAPVBKJZVRRX-CQSZACIVSA-N 303.496 5.321 30 10 DKEE CC#CCCCC[C@@H](NC)c1ccc(-c2cccs2)s1 2205878129 ZXTQFILDQGBDQI-CQSZACIVSA-N 303.496 5.321 30 10 DKEE C=CCCCCC[C@H](O)c1sc(C)c(Br)c1C 2213744083 VHVBYHSIRHRXLX-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE C=CCCCCCCCCCC[C@@H](NCC)P(C)(C)=O 2237226995 OEZNXJGYGAVQKR-KRWDZBQOSA-N 301.455 5.632 30 10 DKEE CCCCCCCCCCCOc1cc(Cl)nc(Cl)n1 2239556636 LDVWCVYMXRVESH-UHFFFAOYSA-N 319.276 5.693 30 10 DKEE CO[C@@H](CSCCCCCCCCCS)C1CCCC1 2284026203 BAYQBPDPZMFCAO-KRWDZBQOSA-N 318.592 5.585 30 10 DKEE C=C([C@H](NCC)c1sc(C(F)(F)F)cc1C)C(C)(C)C 2295255921 GCUGCDNLQPTQIE-LBPRGKRZSA-N 305.409 5.328 30 10 DKEE C=CCCCSc1cc(Cl)c(F)cc1CNC(C)C 2337278330 FFQPXXNEABTCFJ-UHFFFAOYSA-N 301.858 5.035 30 10 DKEE CC[C@@](C#N)(Cc1cc(Cl)c(OC)c(Cl)c1)C(C)C 2339972121 FRHXTNJRAARFSA-HNNXBMFYSA-N 300.229 5.120 30 10 DKEE C=CCC(CC=C)Sc1ccc(C[C@@H](N)CC)cc1Cl 2360208951 WIFJYIUBCMEWTA-AWEZNQCLSA-N 309.906 5.233 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2364091755 HIEJJXSONLDBBC-CQSZACIVSA-N 304.739 5.161 30 10 DKEE C=C1CCC(CC(=O)CCc2cc(Cl)cc(Cl)c2)CC1 2366856893 HYBQTMDLBIPNBL-UHFFFAOYSA-N 311.252 5.632 30 10 DKEE C=CCOc1ccc2ccccc2c1CNCc1ccc(C)cc1 66117083 FOMRWWRYWSLNNL-UHFFFAOYSA-N 317.432 5.003 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1cc(F)cc(F)c1 94827000 BJOGDIHGIIKHIH-GFCCVEGCSA-N 305.393 5.416 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1ccc(Cl)cc1Cl 109712920 QLDFHBGMHVADJL-MRXNPFEDSA-N 317.300 6.038 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccc(F)c(Cl)c1 109748865 MIACFBLCWJERRV-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCC1CCC(C#N)(Nc2cccc(Br)c2)CC1 110028803 DYVMXVZMYUZRNO-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2ccc(Cl)cc2)C1 110265529 SFOPNFZVNSCEER-KJGCVMFHSA-N 304.865 5.051 30 10 DKEE CCCCCCC[C@@](C)(Nc1ccc(Cl)cc1)C(=O)OC 110320602 UEOULSAWEBUKBO-QGZVFWFLSA-N 311.853 5.044 30 10 DKEE C/C(=N/O)c1ccc(C)cc1OCc1c(Cl)cccc1Cl 110962729 VIMHEKQJOUQSNO-ODLFYWEKSA-N 324.207 5.079 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H]1Cc2ccccc2S1 140367209 RCSPPXSURSSWAI-MJGOQNOKSA-N 305.531 5.432 30 10 DKEE Cc1ccc(Cl)cc1Nc1cc(Br)cc(C#N)c1 227606478 IGUDDEFGPLYRPU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1cc(Cl)sc1Cl 312563199 RVSBTRTZFDPOMN-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE N#Cc1cc(Nc2nc3cc(Cl)ccc3s2)ccc1Cl 690219667 YLCPCVVTEIYAHE-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE CCCCCCCCCCN(CCC(=O)O)Cc1ccccc1 692456089 QIPFKBMDBVJUIO-UHFFFAOYSA-N 319.489 5.104 30 10 DKEE CCCCCCCCC[C@@H](N)c1ncsc1Br 698699223 NKOBPWNNTVJPTC-LLVKDONJSA-N 319.312 5.046 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@@H](CO)C(C)C 1915267384 DADOWTAJRLMCOR-NRFANRHFSA-N 319.533 5.256 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Br)sc1C 1946684930 JPINSXFANGVRAC-IINYFYTJSA-N 316.308 5.072 30 10 DKEE C=C([C@H](NCCC)c1cscc1Br)C(C)(C)C 1947436274 NBVLXPDCFDXYFP-ZDUSSCGKSA-N 316.308 5.154 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Br)co1 2003090483 RRKBRNNLDGRONF-ZDUSSCGKSA-N 303.240 5.216 30 10 DKEE C=CCCCC[C@H](NC)c1cc(C)c(Br)c(C)c1 2059110929 FVLOQXXXFULNIQ-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE C=C1CCC(C[C@](C)(N)c2cc(Cl)sc2Cl)CC1 2075818970 CINQRMZTLZFXID-AWEZNQCLSA-N 304.286 5.365 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1ccc(Br)cc1 2085917793 UDPIETANKWYHLH-MRXNPFEDSA-N 311.263 5.183 30 10 DKEE C=C(Cl)C[C@H](NCC)c1cccc(SC(F)(F)F)c1 2107913198 GRWVSKQZSVEJRZ-LBPRGKRZSA-N 309.784 5.092 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc(Cl)ns1 2110890125 XUWVTGNQDROVRQ-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)cc1Cl 2136598116 IGKKATOXAFAPRE-OAHLLOKOSA-N 322.707 6.268 30 10 DKEE CCCCCCCCOC[C@H](NCC)c1ccc(Cl)s1 2145520358 WJLFYDBTMUSLRB-AWEZNQCLSA-N 317.926 5.429 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(C(F)F)cs1 2164491297 GISOJMGAVYKOIV-CQSZACIVSA-N 303.462 6.216 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1cc(Cl)ns1 2167199085 XENKDFAGKGJIPB-CQSZACIVSA-N 316.942 5.978 30 10 DKEE C=CC1(C[C@@H](N)c2ccc(Cl)cc2C(F)(F)F)CCC1 2168028150 KBTMNRAKNJMNQG-CYBMUJFWSA-N 303.755 5.105 30 10 DKEE C=CCCCC[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2179679162 PPIHIUVPRHYPRO-OAHLLOKOSA-N 305.874 5.815 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(Cl)c(OC)c1F 2203407180 AAKRUNYSGGWOLN-INIZCTEOSA-N 301.833 5.022 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2206799645 HCLWMPDLVXKFMI-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 2207415110 QTICILYYSYIIKE-VYDXJSESSA-N 314.560 5.488 30 10 DKEE CCCCCCCCCOCc1cc(Br)sn1 2216956398 OABSDLIMADFYCS-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE C#C[C@H](CC(C)C)N[C@H](c1cccs1)c1ccc(Cl)s1 2234695088 OGEGJHKFUDTSMW-MLGOLLRUSA-N 323.914 5.190 30 10 DKEE C=CCCCCCCC[C@H](N)c1csc(C(F)(F)F)n1 2235519320 OMJOGONBIJMVON-NSHDSACASA-N 306.397 5.078 30 10 DKEE C=CCCCCCCC[S@](=N)(=O)c1ccc(F)c(Cl)c1 2235769275 QJNAFQODXMLIPH-FQEVSTJZSA-N 317.857 5.411 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(C)c(Br)c1 2263748646 CXDXZIADRJFQHH-WBMJQRKESA-N 310.279 5.010 30 10 DKEE C=CCCCCCCCSC[C@H](N)c1ccc(Cl)s1 2271596189 GUFHVOHTBGXILM-ZDUSSCGKSA-N 317.951 5.661 30 10 DKEE CCCCCCCCCC[C@H](N)c1csc(Cl)c1OC 2284267551 ICJXWFUBLYXYKQ-AWEZNQCLSA-N 317.926 5.941 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc(Cl)c(Cl)cc2C)CC1 2286511684 AKEBJCKXIFFYKR-QGZVFWFLSA-N 312.284 5.699 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(Cl)nc(Cl)c2)CC1 2286806003 PLSHJQCFQAQFBH-MRXNPFEDSA-N 311.256 5.431 30 10 DKEE CCCCCCCC[C@](C)(OCCN)c1csc(Cl)c1 2293305260 LLNVBDBUAHCKIJ-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=CCC[C@H](C)[C@H](OCCCN)c1ccc(Cl)cc1Cl 2294231281 PQAGPJYPNAASRM-LRDDRELGSA-N 316.272 5.002 30 10 DKEE CCOc1ccc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1 2297330219 PBGJXYCMCKJYMU-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(Cl)s1 2313641989 OACBOBATGBHTQN-VXGBXAGGSA-N 303.924 5.140 30 10 DKEE N#Cc1ccccc1N=Nc1c(-c2ccccc2)nc2ccccn12 2320769458 SCNRFESVCRSGFL-UHFFFAOYSA-N 323.359 5.288 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(Cl)c(Cl)c(Cl)c1 2321097072 YCHLMNWMZFPEBU-UONOGXRCSA-N 306.664 5.639 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1c(Cl)cccc1Cl 2365070186 IIAKHGWCUJDXQW-IUODEOHRSA-N 310.268 5.084 30 10 DKEE C#CCCCCC[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2366402537 CHEOGWMZBZTGIJ-OAHLLOKOSA-N 316.247 5.367 30 10 DKEE CCCCCCCCC[C@@H](N)c1csc(C(C)(C)F)n1 2367900928 NOFWILLGUXAROX-CYBMUJFWSA-N 300.487 5.488 30 10 DKEE Cc1ccc(S[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c(C)c1 37154844 IJZDNPBMXPFVMT-RYRKJORJSA-N 301.499 5.750 30 10 DKEE N#Cc1cc(F)ccc1Nc1ccc(Cl)cc1C(F)(F)F 71670964 JVIDNJIEZLEIBZ-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2ccc(Cl)cc2Cl)C1 91880736 VNMIBUGUAUQEGN-LYRGGWFBSA-N 312.240 5.137 30 10 DKEE FC(F)(F)c1cccc(C#Cc2cccc(C(F)(F)F)c2)c1 96308758 DVTDJNNYVSWCNP-UHFFFAOYSA-N 314.228 5.124 30 10 DKEE CCCCCc1ccc(-c2ccc(OCCCC)c(C#N)c2)cc1 145186484 USQVBXBTFJYFPC-UHFFFAOYSA-N 321.464 6.137 30 10 DKEE CCCCCCCCC/C=C\CCCCCCCCC(=O)OC 146004945 MMYSVRJTHDSODN-QXMHVHEDSA-N 324.549 6.977 30 10 DKEE Cc1ccc(-c2csc(/C=C\c3cccc(C#N)c3)n2)cc1 208307203 BCKZMDCRNYTTMC-YFHOEESVSA-N 302.402 5.161 30 10 DKEE CCCCCCC[C@H](Cc1cccc(Cl)c1Cl)NC 228975174 HZJMGKIAHMWTQK-CQSZACIVSA-N 302.289 5.484 30 10 DKEE Fc1c(-c2ccc(C(F)(F)F)cc2)cccc1C(F)(F)F 231562123 YQSZOBOOALAFNE-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 308057807 SIMUAOGXGWNMJN-VXGBXAGGSA-N 312.240 5.242 30 10 DKEE CC(C)(C)[C@H](CS)CSc1ccc(Cl)cc1Cl 322580183 COQZAYGPKFWRPV-SECBINFHSA-N 309.327 5.678 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(C)ccc3Br)C[C@@H](C1)C2 697309261 NNERBHLWIPGGPM-YIONKMFJSA-N 320.274 5.304 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C1CCCCCCC1 698381119 VWNXAWLGGXVPJR-RDJZCZTQSA-N 322.493 5.275 30 10 DKEE Cc1ccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)cc1 698480867 YSMUVLRAHHLZSL-SFHVURJKSA-N 322.408 5.001 30 10 DKEE SCC1(COc2cccc3sccc23)CCCCCC1 705008401 CHWULBUPVLXSOH-UHFFFAOYSA-N 306.496 5.551 30 10 DKEE C=C(C)CN(CCSc1cc(Cl)ccc1Cl)C1CC1 1884130359 KCJNVNNECUVFTG-UHFFFAOYSA-N 316.297 5.126 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1C 1914927289 YEWTYDWGDIFUAS-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc([C@@H](CC)NCCC)cc1 1914962256 NIVXXVLXLYNVRS-JOCHJYFZSA-N 322.496 5.330 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](NCC)c1sccc1Cl 1921150647 ROAHHWYUPQCVPW-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE C=CCCCCC(=O)c1c(C)sc(C)c1Br 1984509985 GZVBIVQAUSLWBJ-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(Br)c(C)s1 2000356343 QUGZWSUNFGMRGK-HZMBPMFUSA-N 316.308 5.072 30 10 DKEE C=C(Cl)CC[C@@H](NCCC)c1ccc(Br)cc1 2003684857 XIBDLVPSJJMGBZ-CQSZACIVSA-N 316.670 5.023 30 10 DKEE C=CCN(Cc1ccccc1)Cc1ccc(-c2ccccc2)cc1 2019337131 YOHFHUNDAWFNOW-UHFFFAOYSA-N 313.444 5.542 30 10 DKEE C=C([C@@H](NCCC)c1cccc(Br)c1C)C(C)(C)C 2096632127 MPLMKMBWPDRQTN-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc(C)c(Cl)s1 2109067755 CBPFPDJYEWBBIJ-CQSZACIVSA-N 302.867 5.063 30 10 DKEE CCCC[C@](C)(C#N)[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 2164474384 CGZJGKRWABEFSL-CABCVRRESA-N 318.219 5.060 30 10 DKEE CN(CCCCCCCCCS)CCCCC(F)(F)F 2201592385 UZYBAPJTODONSG-UHFFFAOYSA-N 313.473 5.311 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2220125435 VIBHHEBWCMMRSW-CYBMUJFWSA-N 306.664 5.654 30 10 DKEE CCCCCCCC[C@](C)(N)c1sc(Cl)nc1Cl 2223829992 KEEWWNKUTULGRW-ZDUSSCGKSA-N 309.306 5.374 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cc(Cl)cc(Cl)c1 2231522873 ZCZSLKWYUWPYAE-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1CN[C@H](C)CC 2240227789 JSSHQQZAALFJIN-VXGBXAGGSA-N 316.272 5.225 30 10 DKEE CCCCCCCC[C@H](C)Nc1c(C)cc(Cl)nc1Cl 2240654237 POMYTUPLMGPHOQ-ZDUSSCGKSA-N 317.304 6.248 30 10 DKEE CC(C)c1cc(Br)cc([C@H]2CCC[C@H](CC#N)O2)c1 2266017131 FXJWBICJBWLNCK-HZPDHXFCSA-N 322.246 5.096 30 10 DKEE CC(C)(C)C#CC=CCn1ccc2c(Cl)cc(Cl)cc21 2284087391 CYLXBNQPRASAPT-UHFFFAOYSA-N 306.236 5.554 30 10 DKEE C=CCCCCCCCSc1ncc([C@@H](C)NCC)s1 2287078329 ZWMVSFJKUJFNGO-CQSZACIVSA-N 312.548 5.432 30 10 DKEE C=CCCCCCC[C@@H](OCC(=O)O)c1sccc1Cl 2291661180 TWWORFVTEZCCHK-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1Cl)c1cscc1Cl 2295206828 LLNSCANKOYXSRP-INIZCTEOSA-N 324.276 5.147 30 10 DKEE C=C[C@@H](O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 2295363924 PITUINHIXKJYJX-HXUWFJFHSA-N 321.807 5.278 30 10 DKEE CC(=O)C=C(C)Nc1cc(C)c2c(c1)cc(-c1ccccc1)n2C 2297484307 MFUFZZOMMLRBJT-UHFFFAOYSA-N 318.420 5.058 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(OCc2ccccc2)cc1 2304042077 SXPQWDAAUYOIOJ-YADHBBJMSA-N 323.480 5.519 30 10 DKEE CCCCOc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2324260420 ACJOGCZOQULGJL-UHFFFAOYSA-N 322.404 5.099 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Cl)c(C(F)F)s1 2371346952 BITSQXYRVNCHKA-HNNXBMFYSA-N 324.864 6.297 30 10 DKEE CC(C)c1ccc(-c2nc3scc(C(C)C)n3c2CC#N)cc1 36256020 NEYBGCXVDZEDRN-UHFFFAOYSA-N 323.465 5.376 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(C)cc2)C1 37154460 QWOOKFSVXJCGCH-JFIYKMOQSA-N 301.499 5.832 30 10 DKEE CC(C)(C)c1ccccc1OC[C@H](CS)c1ccccc1 94582469 OIFDCVKNZAGFIV-MRXNPFEDSA-N 300.467 5.077 30 10 DKEE O=C(/C=C/Nc1cc(Cl)ccc1O)c1ccc2ccccc2c1 104222228 ZVALSUDOXITCIZ-MDZDMXLPSA-N 323.779 5.007 30 10 DKEE CCCCCCC[C@@](C)(NCC)c1nc(C(C)(C)C)cs1 109689825 IHYQWOGTVXGOTR-GOSISDBHSA-N 310.551 5.626 30 10 DKEE Cc1ccc(Br)cc1Nc1cc(Cl)ccc1C#N 110254520 CEKGNLMIYWHIPT-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE N#Cc1ccc(Oc2ccc(F)cc2Cl)cc1C(F)(F)F 110262748 BEVHWBOIOSOVJD-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CCCCCCCCCCSc1cccc([C@@H](C)NC)c1 113916911 CPGKJSYDHABFGB-QGZVFWFLSA-N 307.547 6.200 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccc(Cl)s1 115062863 ZDMSNAXQQIPBNI-CQSZACIVSA-N 301.927 6.193 30 10 DKEE CCCCCCCCNC(c1cccs1)c1cccs1 159199701 IZQJCVIOUURHBM-UHFFFAOYSA-N 307.528 5.849 30 10 DKEE N#Cc1ccc(N[C@H](c2cccs2)C2CCCC2)c(F)c1 168291054 HFPWBHSIPXYBFO-KRWDZBQOSA-N 300.402 5.102 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 307266295 ZWJNTDQUVBEIND-STZQEDGTSA-N 318.464 5.017 30 10 DKEE CCCCCCCCC[C@@H](CN)N(CCC)Cc1ccccc1 383761610 ZMWZLQAAVHEDDD-NRFANRHFSA-N 318.549 5.367 30 10 DKEE C=CCC(C)(C)CN[C@H](CC)c1ccc(Br)cc1 386844134 RXGSCEINXIQIAT-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE Fc1cccc(C(F)(F)F)c1-c1cccc(C(F)(F)F)c1 514260384 OOTZBGTWGKBHCD-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE C=CCCCCCCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692345193 DASPCDVOCCIEAO-LBPRGKRZSA-N 318.263 5.920 30 10 DKEE CCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698382871 ZLUAFOMGPJBLGX-LPHOPBHVSA-N 324.509 5.665 30 10 DKEE CCCCCCCNCc1ccc(Cl)cc1Br 703755910 HLFQIQOYRGFQIA-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE C=CCCC(C)(C)Nc1nc(Cl)nc2sc(CC)cc12 717609156 QSGIUPVIEDBHLV-UHFFFAOYSA-N 309.866 5.064 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(C[C@@H](C)COCc2ccccc2)C1 719590148 BBKWNAWRJHLQGC-GGPKGHCWSA-N 302.458 5.015 30 10 DKEE O=[N+]([O-])c1ccccc1N=Cc1cccc(-c2cccs2)c1 1772722087 IZABJCUZZRPWDK-UHFFFAOYSA-N 308.362 5.074 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 1857939059 PROHOXGTINDRLK-XSFVSMFZSA-N 317.816 5.068 30 10 DKEE C=CCN(Cc1ccccc1)C[C@@H]1CCCC[C@@H]1C(F)(F)F 1962674997 KRLKHEVEDGRBPV-IRXDYDNUSA-N 311.391 5.043 30 10 DKEE C#CC[C@@H](CN(Cc1ccccc1)[C@@H](C)c1cccs1)C1CC1 1991256645 AQXNZZXCQNOUMX-PXNSSMCTSA-N 323.505 5.361 30 10 DKEE C=CCCC(=O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993584055 YCLNTGYUGGLPTI-UHFFFAOYSA-N 317.429 5.306 30 10 DKEE C=CCCCCCC[C@@H](N)c1csc(Br)c1 1995170049 XTVOYPQECGPYQQ-GFCCVEGCSA-N 302.281 5.037 30 10 DKEE C=C(C)C[C@H](NCCC)c1c(Cl)cccc1Br 2000360299 JRQZNYRKAQJVHD-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE C=C[C@@H](N[C@H](C)c1ccc(OCc2ccccc2)cc1)C1CCC1 2020962335 VHCPLYCMOARZBV-VGOFRKELSA-N 321.464 5.271 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccccc1CC 2070125559 SYGGODFJAWJOGC-MRXNPFEDSA-N 306.453 5.084 30 10 DKEE C=C(C)CCCN[C@H](c1cccs1)c1ccc(Cl)s1 2088207527 SHUVSDMRMWXYJI-OAHLLOKOSA-N 311.903 5.498 30 10 DKEE Cc1cc2sc([C@@H](O)CC#CC3CCCCC3)cc2s1 2156565620 VSEUNGRQAKVUFG-AWEZNQCLSA-N 304.480 5.278 30 10 DKEE C#CCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203978147 PONGYMWLIOBCFD-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE CCCCCC#CCC(=O)c1ccc(-c2cccs2)s1 2205873213 FTNCUIQLOTWNBI-UHFFFAOYSA-N 302.464 5.633 30 10 DKEE C=CC1(CNCc2ccc(-c3cccs3)s2)CCCC1 2205884841 COGOIABSOJDOOR-UHFFFAOYSA-N 303.496 5.313 30 10 DKEE C=CCCCCCC[C@@H](N)COc1ccc(Cl)cc1Cl 2206894975 PHPCTDMIUPGNIK-CQSZACIVSA-N 316.272 5.226 30 10 DKEE C=C[C@H](CCCCC)OCc1cc(Br)ccc1C 2223288850 NMIILKKCKUXQAE-MRXNPFEDSA-N 311.263 5.409 30 10 DKEE CCCCCCCCCCOCc1nc(Cl)cc(Cl)n1 2239492406 JVPQDLYTCPZMMT-UHFFFAOYSA-N 319.276 5.441 30 10 DKEE CCCCCCCC[C@](C)(N)c1c(Cl)ccc(F)c1F 2240614269 ZPNGPPWCRGJPDW-INIZCTEOSA-N 303.824 5.543 30 10 DKEE C=C(C)CCCCn1ccc2c(OCc3ccccc3)cccc21 2250182581 BLOGQFZSKUEVNO-UHFFFAOYSA-N 319.448 5.967 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1csc(Cl)c1OC 2284264794 DPDDOORUUKIPBF-CQSZACIVSA-N 313.894 5.035 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)s1 2294984975 VJNKCQJQXJZHJV-JTQLQIEISA-N 316.735 5.097 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccc(C(F)(F)F)s1 2294990071 XHVOUOCNOOBRRU-GFCCVEGCSA-N 306.393 5.717 30 10 DKEE CC#CCCCC[C@@H](NCC)c1ccc(C(F)(F)F)s1 2295260643 LRFWATHNDVNIMV-GFCCVEGCSA-N 303.393 5.001 30 10 DKEE CCCCCCC[C@@H](NCCC)c1sc(Cl)cc1OC 2295717596 RDUVPCIAUWHNQY-CYBMUJFWSA-N 317.926 5.811 30 10 DKEE CCCCOc1cc(C)c2c(c1)OC(=Cc1ccc(C)cc1)C2=O 2324245172 RLYWFSYKSZJMNH-UHFFFAOYSA-N 322.404 5.099 30 10 DKEE CC(C)(C#N)CCCOc1ccc(C(F)(F)F)cc1Cl 2366807388 HOYAHGONBRPKDA-UHFFFAOYSA-N 305.727 5.068 30 10 DKEE O=[N+]([O-])c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)s1 223750 ZHEBAFMQLVRDOT-LDADJPATSA-N 323.377 5.151 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCCC[C@H]1C(F)(F)F 69392504 AXPWNISBRPZRNT-OLZOCXBDSA-N 315.404 5.498 30 10 DKEE CSc1ccc(Cl)cc1C(=O)/C=C/c1ccc(C)cc1 83193134 XCNLTOWFUFGFFM-VQHVLOKHSA-N 302.826 5.266 30 10 DKEE CCCC(CS)(CCC)CSc1nc(C)c(C)c(C)n1 94589671 JYUXBQDKJRPGKD-UHFFFAOYSA-N 312.548 5.010 30 10 DKEE CCCCc1ccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)cc1 103029824 HFAKDOOZJAPJQA-NXVVXOECSA-N 321.464 5.961 30 10 DKEE CCCCCCCC(=O)c1sc(C)cc1Br 114541967 TWOBLXJRQIMYHG-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE CCCCCCCCCCC(=O)CSc1ccccc1C 116740218 GWZPXFYUUSZDBQ-UHFFFAOYSA-N 306.515 6.187 30 10 DKEE N#Cc1ccc(Nc2c(Cl)cc(F)cc2Cl)cc1Cl 123446021 VPQPXWHVXAGGSA-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE Cc1ccc(Nc2ccc(C#N)c(Br)c2)cc1Cl 228173409 NBBKDEXEICOPRM-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCOc1cccc([C@@H](CC#N)C2CC2)c1OCc1ccccc1 260611767 OAMKLQSKNARXIN-SFHVURJKSA-N 321.420 5.072 30 10 DKEE Cc1cc(Br)c(C(=O)C2=CCCCC2)cc1Cl 383499809 YNSOHOJIVJHSQB-UHFFFAOYSA-N 313.622 5.094 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](N)c1cc(Cl)ccc1Cl 1920357744 VADUUQSAOSZUDX-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cccc(Cl)c1Cl 1920484882 SVMHRLNEZYHHEU-MRXNPFEDSA-N 302.289 5.918 30 10 DKEE C=CCCCCCC(=O)c1cscc1OCc1ccccc1 1934835745 IHWAHWQBCSUNMN-UHFFFAOYSA-N 314.450 5.646 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)CC2CCCCC2)cc1F 1946759918 IGBUMDGNRYVEKH-UHFFFAOYSA-N 322.427 5.284 30 10 DKEE C=CCCCC[C@H](NC)c1ccccc1OCc1ccccc1 1984522168 QWBKDIXDBBDDDC-FQEVSTJZSA-N 309.453 5.273 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccccc2OCc2ccccc2)CC1 1985234866 JZNPUPKMCMXVJR-INIZCTEOSA-N 306.405 5.195 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1sc(C)cc1Br 2000450575 RZERFKTZMSLBQZ-GXFFZTMASA-N 316.308 5.072 30 10 DKEE C=CCC(C)(C)COCc1cc(Cl)cc(Br)c1 2001849281 SMTMASRTYCMTNT-UHFFFAOYSA-N 317.654 5.221 30 10 DKEE C#CCCCC[C@@H](NCC)c1cccc(OCc2ccccc2)c1 2005477983 GXDJEIMDRPOVIP-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=C(C)CN(CCC12CC3CC(CC(C3)C1)C2)Cc1ccccc1 2019346616 ROVKOSBCEYBMME-UHFFFAOYSA-N 323.524 5.671 30 10 DKEE C=CCCCCCCCCCN(C)CC(=C)Br 2026313207 LZSQBCDBPALETC-UHFFFAOYSA-N 302.300 5.134 30 10 DKEE C#Cc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F 2049392517 XCEJWAHIOAYLRD-UHFFFAOYSA-N 302.348 5.053 30 10 DKEE CC#CCCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2073675656 GRGYRXKAOKOBHG-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(F)c(Br)c2)C1 2112240907 XZENTSGYJQDHPN-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C=CCCCCCC[C@@H](Cc1ccccc1Br)NC 2141914662 TXCVKRSHZTYWAE-INIZCTEOSA-N 324.306 5.106 30 10 DKEE CCCCCCCCCCCCNCc1cscc1Cl 2146181952 PNPNFNWGVGQNGM-UHFFFAOYSA-N 315.954 6.412 30 10 DKEE C=C([C@@H](NCCC)c1ccsc1C(F)(F)F)C(C)(C)C 2157625944 DNAKWOKNLABQLW-GFCCVEGCSA-N 305.409 5.410 30 10 DKEE CC#CCCC[C@H](NCCC)c1cc2sc(C)cc2s1 2194058399 GNNPLSKGCVNTRV-AWEZNQCLSA-N 305.512 5.506 30 10 DKEE CC#CCCC[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2194060210 VIKCUKBRFJZNIB-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE CCCC(CS)(CCC)CN(C)CCCCC(C)(F)F 2201594264 KODDOBUSKIVNHI-UHFFFAOYSA-N 309.510 5.260 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(F)c(Cl)cc3Cl)C[C@@H](C1)C2 2203778116 BPXHOPMTOBBXSA-FOSCPWQOSA-N 314.231 5.679 30 10 DKEE C=CCCCCCC[C@H](NCC)c1c(Cl)cncc1Cl 2206889703 CMUUMNWUOUFSON-HNNXBMFYSA-N 315.288 5.566 30 10 DKEE C=CCCCCCCCCNc1c(Cl)cc(F)cc1Cl 2207412512 WTQPJNCTDHRRRJ-UHFFFAOYSA-N 318.263 6.461 30 10 DKEE N#Cc1c(Br)cccc1SCCCCCC1CC1 2220023881 ZRNBFWIFUVJHEU-UHFFFAOYSA-N 324.287 5.383 30 10 DKEE CCC[C@H](CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2244770853 FFEIOIGLUSWDAQ-DOTOQJQBSA-N 322.493 5.275 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c([C@@H](C)N)s1 2271485916 ROZLNZAGPPDRKK-LLVKDONJSA-N 318.939 5.435 30 10 DKEE N#Cc1cc(F)c(Cl)cc1SC[C@H]1CCCCC1(F)F 2283213350 GKXCATTVABTPDX-SNVBAGLBSA-N 319.779 5.268 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCCC(F)(F)F)C1 2283694448 ARFWCBXDZIQUMM-JHJVBQTASA-N 307.425 5.417 30 10 DKEE CCCCCCCC[C@@](C)(CSC(C)C)OCCCN 2293414862 YJSRDABENPPDFV-KRWDZBQOSA-N 303.556 5.003 30 10 DKEE CCCCCCC[C@H](OCCN)c1ccc(Cl)c(Cl)c1 2293863029 RICJXMZSVQWAEX-INIZCTEOSA-N 318.288 5.370 30 10 DKEE CCc1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2294299915 AMOBYGSDKUFGEV-UHFFFAOYSA-N 305.204 5.452 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2295244926 LAIHFTPIKXNYBK-VXGBXAGGSA-N 303.393 5.082 30 10 DKEE Cc1cccc2c(C=NCc3ccccc3)c(-c3ccccc3)[nH]c12 2313553062 BRZBRCRJMDEFHQ-UHFFFAOYSA-N 324.427 5.762 30 10 DKEE CCCCCCCCC[C@H](N)c1c(Cl)sc(Cl)c1C 2336097672 CGHJYFYOCJODNY-LBPRGKRZSA-N 322.345 6.504 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(C)c(Br)c(C)c1 2344359119 XFVXNNZXXUFZGI-SJORKVTESA-N 324.306 5.319 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2349842249 MYWVFTQEGNEIML-HNNXBMFYSA-N 304.236 5.530 30 10 DKEE O=C(C=C1CCCCC1)Cc1cc(F)c(Cl)cc1Cl 2349904238 LJVIAXDAHKJVFG-UHFFFAOYSA-N 301.188 5.135 30 10 DKEE C=CCCCSc1cc(Cl)c(F)cc1CN[C@@H](C)CC 2362430505 JDQLPUKEAHLCSC-LBPRGKRZSA-N 315.885 5.426 30 10 DKEE Cc1ccc(C)c(C[C@H](C#N)c2ccc(Cl)cc2Cl)c1 57759889 LNMZCBWUQBCOBU-CQSZACIVSA-N 304.220 5.460 30 10 DKEE C=CCSc1ccccc1NC1CCC(C(F)(F)F)CC1 68635191 LBZGAUNQFYFNNQ-UHFFFAOYSA-N 315.404 5.498 30 10 DKEE CCCCCCCNC[C@H](C)Oc1ccc(Cl)cc1Cl 100027176 GQHZNDPFSKVZIL-ZDUSSCGKSA-N 318.288 5.321 30 10 DKEE CCCCCCCCNCc1ccc(OCCCCC)cc1 100048979 HBDSGYDLDQLPNF-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE CCCCCCCCCCCCCCCCNC(=O)C1CC1 100061251 VAOVJDDFFSSUCO-UHFFFAOYSA-N 309.538 5.994 30 10 DKEE CCCCCCCC(=O)CCCC(=O)Nc1ccccc1C 105415590 WSFIZNIORLFWTR-UHFFFAOYSA-N 303.446 5.033 30 10 DKEE CCCCCCC[C@@H](NC(C)C)c1nc(C(C)(C)C)cs1 109690911 BTQXBDLBQMXBKI-OAHLLOKOSA-N 310.551 5.840 30 10 DKEE CCCCCCCCCC(=O)c1cc2cc(Cl)ccc2o1 126014528 NAFJFLHNCIIOJA-UHFFFAOYSA-N 306.833 6.410 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1cc(F)ccc1Cl 126987701 QPPSONRFQSEHJY-MRXNPFEDSA-N 300.845 5.523 30 10 DKEE CCCCCCC[C@@H](NC)c1ccccc1OC(F)(F)F 163652876 UHWOTATZNVSKTF-CQSZACIVSA-N 303.368 5.206 30 10 DKEE CCCCCC#CCCCCCCCCCO[C@H]1CCCCO1 207129548 IVCINHAZIPONFW-OAQYLSRUSA-N 322.533 6.234 30 10 DKEE C=CCSCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 231930577 PSWSCRXEVRXCES-VIFPVBQESA-N 324.704 5.217 30 10 DKEE Cc1c(Br)cccc1Nc1cc(Cl)ccc1C#N 232244814 ANSCKYXQHMSLKD-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCOc1ccc(C=Nc2ccc(C(=O)CC)cc2)cc1 254582505 PXEIVJVGUNPTNB-UHFFFAOYSA-N 309.409 5.209 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1CS[C@@H](C)[C@H](C)S1 300178018 YCSOVRILMWFTNO-QAETUUGQSA-N 317.608 5.341 30 10 DKEE Cc1cc(C#N)ccc1CSc1ccc(Cl)cc1Cl 322512375 JGGQNLUEHKFDDR-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CCCC1CCC(C#N)(Cc2cnc(Cl)cc2Cl)CC1 380077306 INDNXKQKPRMLAS-UHFFFAOYSA-N 311.256 5.431 30 10 DKEE N#CCCCCCOc1ccc2ccccc2c1Br 385364097 IUXGLQPDFWWOOK-UHFFFAOYSA-N 318.214 5.065 30 10 DKEE CCCCCCCCCCC1(O)CCC(CSC)CC1 385822798 NDQBIXZRFHOZSQ-UHFFFAOYSA-N 300.552 5.802 30 10 DKEE C=C(CC)C[C@H](N)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 407732331 IKZWUUAAHDEENY-HNNXBMFYSA-N 324.852 5.043 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(Cl)c1Cl 709352827 DZJVNUFQLNOQNI-WOSRLPQWSA-N 312.284 5.779 30 10 DKEE FC(F)c1cc2cc(C(F)(F)F)c(C(F)(F)F)cc2s1 725324855 VLWFALHNXQCGGR-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE CC(=O)c1ccc(N=Cc2cccn2-c2ccc(Cl)cc2)cc1 1084475793 XOHCEHTYLXFEQA-UHFFFAOYSA-N 322.795 5.084 30 10 DKEE FC(F)(F)c1cccc(C#Cc2cc(Cl)ccc2Cl)c1 1614827424 YVMYEKTUYRVULI-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE SC[C@H](CSc1cc(Cl)ccc1Cl)C1CCC1 1942146196 QODMVIMWIMMVRQ-SNVBAGLBSA-N 307.311 5.432 30 10 DKEE CCCC[C@@](C)(C=O)Cc1cc(Cl)cc(Br)c1 2001884111 QJEQZBCBCNBTRX-CQSZACIVSA-N 317.654 5.040 30 10 DKEE C=CCCCCCCNc1cc(Br)ccc1Cl 2026013755 BJHSDNBUHWEHAP-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1Cc1ccc(CC(C)C)cc1 2070144850 PZRWFSJFSCJKRN-UHFFFAOYSA-N 320.480 5.159 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 2096545622 NBLMYLWUBBKYTE-LRDDRELGSA-N 300.273 5.779 30 10 DKEE C=C([C@@H](O)c1ccc2cc(Br)ccc2c1)C(C)(C)C 2096629509 CBZRGGCCOGRYEF-MRXNPFEDSA-N 319.242 5.238 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Br)ccc1C 2102111325 LYBCDXXPDLVFOK-RHSMWYFYSA-N 324.306 5.401 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H](NC)c1csc(Cl)c1 2154432312 CEZPXURZVJBKFV-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE CCCC1CCC(C#N)(C(F)(F)[C@H](F)C(F)(F)F)CC1 2175178180 YQGZWBKHYJZYIU-YVNMAJEFSA-N 301.274 5.022 30 10 DKEE CCCCC#CC[C@@H](Cc1c(Cl)cccc1Cl)NCC 2203786315 DYXWZJAHNOKUAP-AWEZNQCLSA-N 312.284 5.098 30 10 DKEE Cc1scc(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)c1C 2203961688 IMBZZQVVXNJYLY-CYBMUJFWSA-N 324.232 5.162 30 10 DKEE C=CCCCCCC[C@@](N)(CC)c1ccc(Cl)c(Cl)c1 2206884850 JGWVSPFDDPVXPE-KRWDZBQOSA-N 314.300 6.084 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)[C@@H]1CSCCS1 2207437691 QSNBTUPEMMFYOA-SJORKVTESA-N 315.592 5.120 30 10 DKEE C=C(C)CC[C@H](NCC)c1sc(C)c(C)c1Br 2215910966 SSJBXAICUQCAPR-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C[C@H](CCCCC)OCc1cccc(C)c1Br 2223285435 FEUQTYLXDHMYOC-OAHLLOKOSA-N 311.263 5.409 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1 2227273999 UAKDQEYQRVIFIJ-MRXNPFEDSA-N 301.257 5.944 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cc(Cl)nc(Cl)c2)CC1 2286801101 QRMHQUQATTZPGB-INIZCTEOSA-N 314.256 5.107 30 10 DKEE CCCCCCCC[C@H](OCCN)c1cc(C)c(Cl)s1 2294577581 ZLNCLDSGEPXQFP-AWEZNQCLSA-N 317.926 5.477 30 10 DKEE COc1ccc(C=C2CCC(=Cc3ccc(Cl)cc3)C2=O)cc1 2297169431 SCVPVVMRBNWPHT-UHFFFAOYSA-N 324.807 5.179 30 10 DKEE CCCCCOc1ccc(C=C2Cc3ccccc3C2=O)cc1 2297334266 XZSCEOWFUWSPMC-UHFFFAOYSA-N 306.405 5.078 30 10 DKEE C=C(C)CCCCNCCCc1cc(Cl)cc(Cl)c1 2341167309 JGQXDWYSYWBEPH-UHFFFAOYSA-N 300.273 5.262 30 10 DKEE CCCC#CC[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414672 KYEFTMCJCSERIN-INIZCTEOSA-N 312.284 5.536 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1ccc(Cl)c(Cl)c1OC 2370523575 YTQZAUUFEFKXJD-OAHLLOKOSA-N 316.272 5.255 30 10 DKEE CCCCOc1ccccc1/C=C1\Oc2cc(C)c(C)cc2C1=O 39842677 SHZSLDHHTFEECW-MOSHPQCFSA-N 322.404 5.099 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2sccc2C)c(Cl)c1 83193914 ZOPQVTYZSUHBRW-VOTSOKGWSA-N 320.841 5.395 30 10 DKEE CCCCCCCCCCCCN[C@H](CC)c1cccs1 110166709 PVGLGVLMIMEIKS-GOSISDBHSA-N 309.563 6.710 30 10 DKEE CCCCCCCCCCCC[C@@H](Cc1ccsc1)NN 122729403 KEFZZMWPQNODSE-SFHVURJKSA-N 310.551 5.434 30 10 DKEE CCCCCCCCCSc1ccc(CNC2CC2)cc1 124224994 QDBUEBGHCIYARM-UHFFFAOYSA-N 305.531 5.781 30 10 DKEE CCCCCCCCC[C@H](NCCC)[C@@H]1CSCCS1 124426042 LETXNAMHNTWSKB-IRXDYDNUSA-N 317.608 5.344 30 10 DKEE CCCCCCCCCCN[C@@H]1Cc2ccc(Cl)cc2C1 158928506 MWMNAXKQKYAXDX-LJQANCHMSA-N 307.909 5.538 30 10 DKEE CCCCCCCCCOc1cc(F)ccc1Br 160260226 RBMZNTSRTTXOIK-UHFFFAOYSA-N 317.242 5.718 30 10 DKEE N#CC[C@H](Nc1cc(Cl)c(F)c(Cl)c1)c1ccccc1 232036016 JELDAAGGQGHOQV-AWEZNQCLSA-N 309.171 5.199 30 10 DKEE CSc1ccc(C=NNc2ccc(Cl)cc2Cl)s1 254625986 AFADIHDXFAZPLI-UHFFFAOYSA-N 317.266 5.223 30 10 DKEE CCCCCCCCNc1cccc(C(=O)OCC(C)C)c1 257625760 UFFQKKZUUUVGMZ-UHFFFAOYSA-N 305.462 5.272 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1 381889645 CZNGPROCHXWVGU-OAQYLSRUSA-N 311.469 5.626 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2sccc2Cl)CC1 394054943 AOEQNBFZPAUUCS-WMEQCIOUSA-N 311.878 5.181 30 10 DKEE CCCCCCCCCn1ccc2cccc(Br)c21 703855305 UVOOQPMPDBUYHM-UHFFFAOYSA-N 322.290 6.154 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cscc1Cl 711578333 OEHONCSRBGCOAT-OAHLLOKOSA-N 302.915 5.437 30 10 DKEE Fc1cc2sccc2c(SC(F)(F)F)c1C(F)(F)F 725305299 XBFNWYCKHXMNJM-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE N#CCc1csc2cc(C(F)(F)F)c(C(F)(F)F)cc12 725324497 KPMGDUYBOYEIKW-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE Cc1cccc(N=Cc2ccc(N3Cc4ccccc4C3)cc2)c1 1084270318 JWISOTSIYZUVIC-UHFFFAOYSA-N 312.416 5.266 30 10 DKEE C=C1CCC(C[S@@](=N)(=O)c2ccc(Cl)c(Cl)c2)CC1 1879721612 UIWYHCFUIPFPGN-LJQANCHMSA-N 318.269 5.145 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C[C@H](N)CC 1915405677 CDOAOHRPVPZEPK-OAQYLSRUSA-N 318.549 5.367 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)[C@H](C)CC)C1 1935534087 MZLUOCKBDBMFQO-UKAVVXHISA-N 312.501 5.396 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@@H](CS)CC1CC1)C(C)(C)C 1961122407 FVYNMTBSRHLIQT-LPHOPBHVSA-N 319.558 5.269 30 10 DKEE CCCCCCC[C@]1(O)CC[C@H](C)C[C@@H]1OCc1ccccc1 1977469518 WQOFNYMUMVJVDV-JBACZVJFSA-N 318.501 5.483 30 10 DKEE C=CCCCCC(=O)c1cccc(Cl)c1Br 1984522398 TYGNORCQONZSDZ-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=C1CC(CNc2c(Cl)cc(Cl)cc2Br)C1 1993997491 VTCKQPCTNZADOR-UHFFFAOYSA-N 321.045 5.134 30 10 DKEE C=CCCCCCCNc1ccc(Br)c(F)c1 2026014978 OWDOKYXZTRCHPK-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cscc1Br 2026022263 RYSVENRLLBBJSB-CQSZACIVSA-N 316.308 5.298 30 10 DKEE CCCCCCCCCCCCCCCCCC=CC(=O)O 2053490347 FIKTURVKRGQNQD-UHFFFAOYSA-N 310.522 6.889 30 10 DKEE Cc1ccc([C@H](C(C)C)n2nc(C(C)C)c(C#N)c2Cl)cc1 2078981390 NDVIKTZBXBOEKE-KRWDZBQOSA-N 315.848 5.085 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc(C)c(Cl)s1 2109067753 CBPFPDJYEWBBIJ-AWEZNQCLSA-N 302.867 5.063 30 10 DKEE CCCC(CS)(CCC)CN(CC)CCc1cccs1 2170112148 OLCRXYZDXBZBSR-UHFFFAOYSA-N 313.576 5.129 30 10 DKEE C=CCCCCCCN[C@@H](C)c1ccc(Cl)c(F)c1F 2176949987 HPHRDTTYHFIRLF-LBPRGKRZSA-N 301.808 5.405 30 10 DKEE CC(C)[C@H](Nc1cc(Cl)c(C#N)cc1F)c1cccs1 2177380019 BEDKRJQEFMHWRG-HNNXBMFYSA-N 308.809 5.221 30 10 DKEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1ccc(Cl)cc1 2184457887 JUJKRURTYQNWHV-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1ccc(Cl)cc1Cl 2197142756 UJIPCWAFLNJBJT-QGZVFWFLSA-N 306.236 5.357 30 10 DKEE C#CCCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2203940698 HCHSENXDXXNAEE-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE C=CCCCCCC[C@](C)(O)c1ccc(Cl)c(F)c1F 2206893072 WWVFVSMPTDGQAK-INIZCTEOSA-N 302.792 5.352 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@H](O)c1cc(Cl)cs1 2207436420 KQIPDOSHXVNZFG-ZBFHGGJFSA-N 315.910 5.069 30 10 DKEE C=CCCCCCCCCCNCCSCC(F)(F)F 2207447451 IOMGOXBGJJZETI-UHFFFAOYSA-N 311.457 5.178 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1Cl 2220114938 YXJCFOFFERCUAI-CYBMUJFWSA-N 309.664 6.041 30 10 DKEE CCc1ccsc1C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234056696 KCQMAWQSNAYTKD-LBPRGKRZSA-N 324.232 5.107 30 10 DKEE C=CCCCCCCCC(=O)[C@](C)(O)c1csc(Cl)c1 2235533154 RLDBBOLYVKHTFQ-MRXNPFEDSA-N 314.878 5.095 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1 2237817758 PFQZUGZXZDLELM-KRWDZBQOSA-N 317.300 6.342 30 10 DKEE CCCCCCC[C@H](O)C(=O)c1cc(Cl)cc(F)c1Cl 2239688983 QPLHGYNJQNVLBD-ZDUSSCGKSA-N 321.219 5.037 30 10 DKEE CCCCCCC[C@@H](O)c1cc(CC)c(Br)s1 2248021877 KMTUBKYXYIVVIA-GFCCVEGCSA-N 319.308 5.467 30 10 DKEE FC1(F)CCCC[C@@H]1CSCC1(CS)CCCCC1 2267948662 UHXARPWRGKMDOH-CYBMUJFWSA-N 308.503 5.425 30 10 DKEE FC1(F)CCCC[C@H]1CSCC1(CS)CCCCC1 2267948664 UHXARPWRGKMDOH-ZDUSSCGKSA-N 308.503 5.425 30 10 DKEE CCCCCCCC[C@@H](N)c1c(F)ccc(OC)c1Cl 2286699363 OCGQHMQEXAIVPI-CYBMUJFWSA-N 301.833 5.238 30 10 DKEE C=CCCCCCCCSCC(=O)c1ccc(Cl)cc1 2287096046 GTUOZASLPHVUIX-UHFFFAOYSA-N 310.890 5.783 30 10 DKEE CCCCCCC[C@](C)(Nc1ccsc1Cl)C(=O)O 2348420676 UIEVZIGBPSFQPW-AWEZNQCLSA-N 303.855 5.017 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2ccc(Cl)c(C)c21 2362299429 RDRYZGDTRZCGBY-RISCZKNCSA-N 306.862 5.204 30 10 DKEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1C 2365085504 USWOEDVKRWZUNQ-WFASDCNBSA-N 310.268 5.002 30 10 DKEE C=CCn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21 40210844 KIPRUCKGJJYPSF-UHFFFAOYSA-N 303.192 5.196 30 10 DKEE C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)C(C)(C)C 59483048 RTAZXMYXAVPLIU-VCHYOVAHSA-N 307.850 5.297 30 10 DKEE CCCCCCCCN[C@H](C)c1ccccc1OCCCCC 100048546 JAQQDZHOKPYJPK-LJQANCHMSA-N 319.533 6.267 30 10 DKEE N#Cc1ccc(Sc2cccc(Br)c2)c(Cl)c1 104185555 MFXHUUCVIXNRFO-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCCNc1ccc(Cl)cc1Cl 110154866 ZVMNUXDFKTYGFI-UHFFFAOYSA-N 302.289 6.546 30 10 DKEE CCCCCCCCC[C@H](N)c1ncc(Cl)cc1Cl 122543197 UVQBVADKRWICTJ-AWEZNQCLSA-N 303.277 5.529 30 10 DKEE CC(C)c1cc(Br)ccc1Oc1cccc(C#N)c1 227636690 CHCTUXLVFSHSPP-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CC[C@H]1NC(=Nc2cc(Cl)c(Cl)c(Cl)c2)S[C@H]1C 404182707 ADBGZBHQQHHCOA-QUBYGPBYSA-N 323.676 5.138 30 10 DKEE CC(C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698853818 URWWGPDZLGVERH-OAHLLOKOSA-N 322.836 5.020 30 10 DKEE CCCCCCCNCc1ccc(Cl)c(Br)c1 703755909 HLFIMVATBVDGMV-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE C=CCCC(C)(C)CN[C@H]1CCSc2ccc(Cl)cc21 704040243 PPLGOKAISXMTAQ-HNNXBMFYSA-N 309.906 5.459 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Br)c(C)c1 715777223 ZSKKXZMYZMQBQM-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE CCCC1CCC(C#N)(C[C@H](C)COCc2ccccc2)CC1 719633246 JRYZYYOQTNTRTF-JSOIOWGOSA-N 313.485 5.730 30 10 DKEE C=CCN(C(=O)CCCCCC)C1CCC(C(C)(C)C)CC1 1860017737 RKULCSDWFVMEHY-UHFFFAOYSA-N 307.522 5.576 30 10 DKEE CCCCCCCCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 1871275715 GTEIEEANWYFBNT-ROUUACIJSA-N 307.522 5.482 30 10 DKEE CCCCCCC[C@](C)(O)Cc1ccc(Cl)cc1Cl 1919912366 JCYWSWPYFXHFGB-INIZCTEOSA-N 303.273 5.647 30 10 DKEE C=C(COCc1ccccc1)[C@H](NC)c1ccc(C(C)(C)C)cc1 1922092977 YDWNAJXBAMHKPH-NRFANRHFSA-N 323.480 5.018 30 10 DKEE CC(C)CN(CCCCCCCCCS)Cc1ccccc1 1931881841 MIPMCXDXPCJMQO-UHFFFAOYSA-N 321.574 5.805 30 10 DKEE CCCCCCCNc1ccc(Br)c(Cl)c1F 1943905556 IPZHARUZLRVDSY-UHFFFAOYSA-N 322.649 5.624 30 10 DKEE CCCCCCCN(C)Cc1scc(C)c1Br 1950853296 JYDZXMLWGIXXPO-UHFFFAOYSA-N 318.324 5.221 30 10 DKEE CCC1CCC([C@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1980213475 ZDDALOQUEXLQLO-OTBWCIGPSA-N 322.493 5.131 30 10 DKEE CC#CCCCn1ccc2cc(OCc3ccccc3)ccc21 1990203260 JZUXUGCUUFCOIH-UHFFFAOYSA-N 303.405 5.024 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(C)c(Br)c1C 2045817147 ZWCOJBDVSOVPBN-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE CCCCCCC[C@H](O)COc1ccc(Cl)cc1Cl 2096134676 TUDUIQKVSOSROQ-ZDUSSCGKSA-N 305.245 5.094 30 10 DKEE CCCCCCCCC[C@@H](O)C(=O)c1csc(Cl)c1 2098163516 ZKJLOQCTAAZOGX-CYBMUJFWSA-N 302.867 5.086 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(Cl)sc1C 2142443515 IZGSDLNNLVRGSS-OAHLLOKOSA-N 300.895 6.050 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ncc(Cl)s1 2154629686 COANFGLGNDPIMZ-AWEZNQCLSA-N 316.942 6.107 30 10 DKEE C[C@@H]1C[C@](C#N)(C[C@@H]2CCCC[C@@H]2C(F)(F)F)CCS1 2159721870 WMMSSQOIQRHREF-RFGFWPKPSA-N 305.409 5.171 30 10 DKEE C=C([C@H](NCCC)c1ccc(F)c(Cl)c1F)[Si](C)(C)C 2164215998 VXRDHTFFHKHMFU-HNNXBMFYSA-N 317.883 5.093 30 10 DKEE CCCC[C@](C#N)(CC)[C@@](C)(O)c1cccc(Cl)c1Cl 2164479678 JYFRYSAZAAAONH-HOTGVXAUSA-N 314.256 5.311 30 10 DKEE O=CC1(CCc2cc(Cl)cc(Cl)c2)CCC2(CC1)CC2 2176574573 ANHJTDINDPQNJG-UHFFFAOYSA-N 311.252 5.466 30 10 DKEE O=C(C=C1CCCC1)c1ccc(-c2cccc(Cl)c2)s1 2177050073 GKFIXHMGNVQPNJ-UHFFFAOYSA-N 302.826 5.752 30 10 DKEE C#CC[C@H](C[C@@H](NCCC)c1cc(Cl)sc1C)C1CC1 2196853907 KTGKZDLHWWXEMU-GDBMZVCRSA-N 309.906 5.190 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2236298356 DEBRTBVWXJKMFF-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=C[C@H](CCCCC)OC[C@H](N)c1cc(Cl)ccc1Cl 2239510556 NVLDKDYGCJFBRY-CJNGLKHVSA-N 316.272 5.145 30 10 DKEE Cc1cc(Br)ccc1SCC[C@@H](C)CCS 2243751282 ULUKKEWVHLXGPO-JTQLQIEISA-N 319.333 5.196 30 10 DKEE C=CCCC[C@@H](C)NCc1cc(Br)cc(C(C)C)c1 2265966819 HNHOCNCCBUZGRV-CQSZACIVSA-N 324.306 5.407 30 10 DKEE C=CCC[C@@H](C)[C@@H](OCCCN)c1cc(Cl)c(Cl)s1 2276384303 CQBHRYGJENWJMY-ZWNOBZJWSA-N 322.301 5.064 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2279060646 WQHRUFYNJNBPOI-KRWDZBQOSA-N 316.316 6.313 30 10 DKEE C=CCC(CC=C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 2298829238 XNVABWYPZPFONV-GOSISDBHSA-N 321.464 5.437 30 10 DKEE CC(C)(C)c1ccc(CON=C(c2ccccc2)C2CC2)cc1 2330296084 FBPZOKQBHYUFJX-UHFFFAOYSA-N 307.437 5.315 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(Br)cc1C 2344378879 NBJJTSYKJAIJAO-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE C=C[C@@](C)(CNCC(C)C)Cc1ccc(Cl)c(Cl)c1C 2364215161 RLXKMGRVIIEDOU-QGZVFWFLSA-N 314.300 5.282 30 10 DKEE C=CC[C@](C)(NCCCc1cc(Cl)cc(Cl)c1)C(F)F 2366830548 AIDKWOJFAWLCIK-HNNXBMFYSA-N 322.226 5.116 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 2370522874 UGFZUEONOCNRRF-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 37937291 CLXCKZBMPHYFCH-CQSZACIVSA-N 310.706 5.036 30 10 DKEE Cc1c(OCC(C)C)ccc(C(=O)/C=C/c2ccccc2)c1C 83193556 VELKRSMNIVZMKA-ZRDIBKRKSA-N 308.421 5.234 30 10 DKEE COc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1 100042247 RANMOWITHBHGEZ-RCCKNPSSSA-N 302.377 5.189 30 10 DKEE CCCCCCCC[C@H](NC)c1cccc(C(F)(F)F)c1 109717832 AUIPOCAWBMLEEC-INIZCTEOSA-N 301.396 5.717 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 109901087 HHRJAAWKWDHFNW-YJLNNSPDSA-N 301.499 5.591 30 10 DKEE CN(Cc1ccc(Cl)s1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 110264028 HVHNPVWPUAAHKH-GZBFAFLISA-N 324.921 5.188 30 10 DKEE CSc1ccc([C@H](C)Nc2cc(C#N)ccc2Cl)cc1 127762492 BJHVLWRVCDPHMV-NSHDSACASA-N 302.830 5.107 30 10 DKEE N#Cc1cccc(Oc2ccc3ccccc3c2Br)c1 227635239 XPFWWNMUEPBVFX-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE Cc1c(Cl)cc(N=C2N[C@](C)(C(C)C)CS2)cc1Cl 690282722 PHSSKHBDVOSPKO-AWEZNQCLSA-N 317.285 5.040 30 10 DKEE CCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712354070 MZRVHIVIUZFBJL-IBGZPJMESA-N 322.493 5.419 30 10 DKEE O=C(c1ccccc1)c1ccc(N=Cc2cccc(Cl)c2)cc1 1084179033 HBCVRHRXCQDKNF-UHFFFAOYSA-N 319.791 5.322 30 10 DKEE Cc1ccc(N=Cc2ccccc2Cl)cc1Br 1084433541 NEIORWMWMFXZBI-UHFFFAOYSA-N 308.606 5.162 30 10 DKEE CCc1cccc(C)c1Nc1nccc(-c2ccccc2)c1C#N 1859845039 HAZIIFKWJUNZEP-UHFFFAOYSA-N 313.404 5.235 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(C(C)C)cc1 1922066626 VJEIQBUXJOCSGY-JOCHJYFZSA-N 323.480 5.234 30 10 DKEE CCCCCCCCC=CCCCCCCCC1=NC[C@H](C)O1 1933288719 NAGNXDBJZOWMCT-FQEVSTJZSA-N 321.549 6.841 30 10 DKEE CCCCCCCCCCN[C@H]1CC[C@H]1OCc1ccccc1 1939559773 OOYDHKWVUNRBIM-LEWJYISDSA-N 317.517 5.465 30 10 DKEE N#C[C@@]1(Cc2cc(Br)ccc2Cl)CCCC12CC2 2053382765 HMBCYGAGYSBJSG-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE CCc1ccc(OC(F)(F)F)c(C(F)(F)F)c1C(F)F 2060360268 KJUYTHYMAMTSKS-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(Br)cc2)CC1 2100881394 FHJBNEKVDKKTEI-KRWDZBQOSA-N 320.274 5.492 30 10 DKEE C=CC1(CC(=O)c2cc3cccc(Br)c3o2)CCC1 2111696874 CRBYYFDLHIKNLF-UHFFFAOYSA-N 319.198 5.124 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2ccc(C)c(Br)c2C)CC1 2125217110 QJYORFDGBYTNOD-CYBMUJFWSA-N 321.258 5.385 30 10 DKEE CCCCCCCCCC[C@@H](O)c1csc(C(F)F)c1 2164492757 MIOUIMUTUDWTKI-CQSZACIVSA-N 304.446 6.250 30 10 DKEE C#CCCCC[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2173455598 NRDZVUFZNYOFTD-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE Cc1cc(Oc2cc(Cl)c(C#N)cc2F)c(C)cc1Cl 2193347621 ZQFHCMKNYKHXFT-UHFFFAOYSA-N 310.155 5.413 30 10 DKEE C=CCCCCCCC[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C1 2211144091 YWINIJFPYNLBBB-LJQANCHMSA-N 320.477 5.054 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccc(Cl)cc1Cl 2231940499 LVQRVACLOHCNLT-ZDUSSCGKSA-N 302.289 6.544 30 10 DKEE C=C[C@H](CCCCC)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl 2239505523 RUVCKMZKACJDOT-SNVBAGLBSA-N 318.200 5.415 30 10 DKEE C=CCCCCCC[C@H](OCC(=O)O)c1ccc(Cl)s1 2292434448 UTGFSOIQJUCBQN-LBPRGKRZSA-N 316.850 5.070 30 10 DKEE C=CCCCCCC[C@H](OCCCN)c1cscc1Cl 2294018874 RLUYMLWQZDYNOA-INIZCTEOSA-N 315.910 5.335 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1snc(OC)c1Cl 2295602490 BHFZBZSTXZCWTH-OAHLLOKOSA-N 319.898 5.153 30 10 DKEE CC(C)(C)[C@](C)(CS)CSc1ccc(Cl)c(Cl)c1 2327089444 PVLWVNDOLVPKTB-CQSZACIVSA-N 323.354 6.068 30 10 DKEE C=C[C@@H](C)C[C@@H](CCCc1cc(Cl)cc(Cl)c1)NC 2341152048 JQVKNZPLYWQQPD-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=C(C)C[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2341928738 KPZOXTQKYRGGHC-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154781 KERRRZFZGVVLSS-HEHGZKQESA-N 307.890 5.787 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 110216486 IUQJMNOMLMFARJ-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(OC)c(Cl)c1 115856214 SOTQTJSFPXPWSU-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE CCCCCCC[C@H](C)Nc1cccc(C)c1Br 131196176 CBPDXVQDGOMPRU-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE CCCCCCC[C@H](NCC)c1cc2ccc(F)cc2s1 158132752 KTDVECJKIRKSIB-INIZCTEOSA-N 307.478 6.052 30 10 DKEE CCCCCCCC[C@H](O)c1csc(Br)c1 159141917 VDRXWCGGYKIICG-LBPRGKRZSA-N 305.281 5.295 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(OC)c(Cl)c1OC 224583409 GASHOHJTSUZGJP-AWEZNQCLSA-N 313.869 5.108 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(Cl)ccc1OC 228481602 DUDPGBQQWAIEKV-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE CCCCCCCCC[C@@H](Cc1nc(C)c(C)s1)NCC 228896031 KWVBFNWUPSPFDV-KRWDZBQOSA-N 310.551 5.421 30 10 DKEE CCCCCCCCC[C@H](CCCC(F)(F)F)NCCC 229031721 VFYLFXCDNPCWGF-MRXNPFEDSA-N 309.460 6.228 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cccc(Br)c1C 229754858 JDGNBUXRWQHTTH-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C=C(CNc1ccc(Br)c(Cl)c1)c1ccccc1 232195407 VDTYKNRDMMOOOJ-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(Cl)cc1Br 236055481 BHOUKTAOWLYPHO-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCCCCCCNc1ccc(-c2nc3ccccc3s2)cc1 257635764 LXJMDJVHZLUCMG-UHFFFAOYSA-N 324.493 6.346 30 10 DKEE CCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C#N 302864891 XZXVAQUYFZNHLG-VAMGGRTRSA-N 312.501 5.253 30 10 DKEE CC[C@H]1CCCCC[C@H]1Nc1ccc(C#N)c(Br)c1 691074340 JKWBLRIKTAAXEK-BLLLJJGKSA-N 321.262 5.092 30 10 DKEE CC[C@@H]1CCCCC[C@@H]1Nc1ccc(Br)c(C#N)c1 691102376 ORMREVIXCJVDPD-WBMJQRKESA-N 321.262 5.092 30 10 DKEE CCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 710815433 XFHVUDWQXSYSBV-LJQANCHMSA-N 322.493 5.419 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1scnc1Cl 722009211 CGFLBVWYSGAKRN-AWEZNQCLSA-N 316.942 5.587 30 10 DKEE CCCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 1920037459 CEGIGZIAQAUOET-LBPRGKRZSA-N 309.664 6.041 30 10 DKEE C=C(Br)CCn1ccc2c(Cl)cc(Cl)cc21 1978068298 WMFOBHAEPKLOFK-UHFFFAOYSA-N 319.029 5.247 30 10 DKEE C=CCCCCCC[C@H](N)c1ccsc1Br 1995168818 JDKJJPNNOPLNSC-LBPRGKRZSA-N 302.281 5.037 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2045679326 VGPWFXOZJZLBGH-XPTSAGLGSA-N 306.664 5.510 30 10 DKEE FC(F)c1ccc(Cl)c(C(F)(F)F)c1OC(F)(F)F 2054958432 IAEQMEQRYWRERH-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE O=CC1(Cc2cc(Cl)sc2Cl)CCCCCCC1 2074820623 TWLSKOBAGYWBJR-UHFFFAOYSA-N 305.270 5.527 30 10 DKEE CC1(C)CC[C@@H]([C@H](C#N)c2ccc(Br)cc2F)C1 2085289604 CWSMPOAEJJJHJD-MFKMUULPSA-N 310.210 5.022 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCCCC2(C)C)c1Br 2117022137 CGRZTGJREOQNHM-KRWDZBQOSA-N 320.274 5.410 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cccc(Cl)c1Cl 2196172566 UTHWSGXLHRDVEJ-INIZCTEOSA-N 312.284 5.618 30 10 DKEE CCCCCCCCN(C)[C@H](CN)c1cc(Cl)sc1C 2196740339 BZXLOQKUQRCGKP-OAHLLOKOSA-N 316.942 5.002 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1ccc(Cl)c(Cl)c1)C1CC1 2196849725 REOBRKQQSNCHKE-GUYCJALGSA-N 310.268 5.084 30 10 DKEE C=C1CC([C@H](NCCC)c2cc(C)c(Br)c(C)c2)C1 2227346689 FEXMIMQFHNAIOH-KRWDZBQOSA-N 322.290 5.073 30 10 DKEE CCCCCCCCCCCCOCc1cnc(Cl)s1 2239491659 CKMSGYXAABJHNS-UHFFFAOYSA-N 317.926 6.234 30 10 DKEE CCCCCCCC[C@@](C)(O)c1c(Cl)ccc(Cl)c1F 2240618495 SWKZDYWPECVLFQ-MRXNPFEDSA-N 321.263 6.091 30 10 DKEE C=CCCCC[C@@H](NC)c1scc(Br)c1Cl 2242665284 CKZQMXCUCVSDCV-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Cl)ccc1Br 2250166765 LRTNCNHGWGKBRE-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE C=C(C)[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2254726368 IPXXOERAOBOGRN-INIZCTEOSA-N 310.279 5.189 30 10 DKEE C=CC1(C[C@@H](NC)c2cc(Cl)c(OC)cc2Cl)CCC1 2281534940 BABCDAYQXZKQHH-CQSZACIVSA-N 314.256 5.009 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(Cl)ccc1OC(F)F 2287465445 KOCPUIRIQWRJSF-ZDUSSCGKSA-N 304.764 5.111 30 10 DKEE CCCN[C@H](C#CC1CCCCC1)c1scc(C)c1Cl 2289788652 QVOUVYOKAMGJHW-OAHLLOKOSA-N 309.906 5.334 30 10 DKEE C=C(Cl)C[C@](C)(CCCCCCCCC)OCCCN 2295687716 WZKGPCZVOVJMJC-KRWDZBQOSA-N 303.918 5.394 30 10 DKEE CC(=CC(=O)c1ccc(C)cc1)Nc1cccc(C(F)(F)F)c1 2297331557 YYCOBDQBCSRHKT-UHFFFAOYSA-N 319.326 5.212 30 10 DKEE C=CCC(CC=C)C(=O)c1c(C)sc(C)c1Br 2301051293 TWYMTPQNVVYOCN-UHFFFAOYSA-N 313.260 5.079 30 10 DKEE CC(C)(C)[C@](C)(CS)COc1cc(Cl)ccc1Cl 2327164930 FELXTDLTJWPMQM-AWEZNQCLSA-N 307.286 5.354 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1c(Cl)ccc(F)c1Cl 2362234480 HFBKEROKAWLKHY-MISXGVKJSA-N 316.247 5.528 30 10 DKEE C=CCCCCC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2366399934 SQUAWVIRZVHUFQ-HNNXBMFYSA-N 318.263 5.920 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1ccc(Cl)cc1Cl 2370484135 XYMCYHSVYHRECM-IRXDYDNUSA-N 314.300 6.027 30 10 DKEE Cc1cccc(/C=C2\CS/C(=C/c3cccc(C)c3)C2=O)c1 6860258 FTTVEJUDKAEMHH-GDAWTGGTSA-N 306.430 5.044 30 10 DKEE Cc1cc(C)c([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)c(C)c1 14457662 FOSHDZGXHUQFSB-NPPFBWRTSA-N 314.432 5.310 30 10 DKEE Clc1cccc(Cl)c1/C=N\Nc1nc2ccccc2s1 36130090 UWNXUBSIUQDLIN-IUXPMGMMSA-N 322.220 5.049 30 10 DKEE N#Cc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(F)c1 36886801 RZEOBSAWIHQLLN-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE Cc1ccc(C)c([C@@H](C#N)Cc2ccc(Cl)c(Cl)c2)c1 57743376 QWCRWDLQWAOLOH-CQSZACIVSA-N 304.220 5.460 30 10 DKEE S=c1[nH]c2ccc(/N=C/c3c[nH]c4ccccc34)cc2s1 59392449 JVAWFDLJYNNZPD-CAOOACKPSA-N 309.419 5.191 30 10 DKEE FC(F)(F)c1ccc(C#Cc2cc3ccccc3s2)cc1 75273633 LQZIWYQLIHEOGN-UHFFFAOYSA-N 302.320 5.320 30 10 DKEE CCCCCCCCCN[C@H](C)c1ccc(Cl)cc1Cl 110158290 FJUMQPZSBNGCOE-CQSZACIVSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@H](Cc1ccccc1Cl)NCC 112895456 UIGXOEZYYLZTCT-GOSISDBHSA-N 309.925 6.001 30 10 DKEE CCCCCCCCCCCCC(=O)CSC(C)(C)C 115644939 ANDWOWYKHVDPSB-UHFFFAOYSA-N 300.552 6.398 30 10 DKEE C[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)s1 134679025 MAJIQYIXBXTQDX-DIFFPNOSSA-N 316.857 5.075 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1c(F)cccc1Cl 162353298 VMLLINUJPSEGGX-QGZVFWFLSA-N 313.888 6.270 30 10 DKEE CCCCCCCC(=O)Cc1ccc(F)c(Br)c1 164459211 NQQIJRDTPJSXMF-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE CCCCCCCC[C@H](O)Cc1sccc1Br 229324783 ZOTOXCJUQSFTEE-LBPRGKRZSA-N 319.308 5.165 30 10 DKEE CC1(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)CCCCC1 232827507 QTDSYNTXDDBBMR-NSHDSACASA-N 310.224 5.140 30 10 DKEE CCC[C@@](C#N)(Nc1cccc(Br)c1)C1CCCC1 313482183 SCSZSFASLIOMGK-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1F)c1ccc(C)cc1C 821218816 AYNVDJMRIORBPE-DYTRJAOYSA-N 319.807 5.427 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(Cl)s1 1861876494 AKDYOKSHBKDEBA-UHFFFAOYSA-N 301.883 5.272 30 10 DKEE C=CC[C@@H](C)OC[C@@H](NCCC)c1cccc(Cl)c1Cl 1913349825 XMXHLTXNACTTDV-IUODEOHRSA-N 316.272 5.015 30 10 DKEE CC(C)[C@H](CS)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1931998069 HACDADWCABADMD-WMZOPIPTSA-N 307.547 5.125 30 10 DKEE CCCCCCCCCCN[C@H]1CC[C@@H]1OCc1ccccc1 1939559776 OOYDHKWVUNRBIM-SFTDATJTSA-N 317.517 5.465 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@](C)(C#N)C1(C)CCCC1 1987597052 VIKRHVKOUQVPCQ-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@@H](O)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 1988153481 VDVNNVUMTCXSOB-WOJBJXKFSA-N 317.517 5.009 30 10 DKEE C=CCCCC[C@@H](NC)c1cccc(Br)c1Cl 2009482777 UXFFQUVQAAOGGE-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=C(C)CCC[C@H](NCCC)c1ccc(Br)cc1 2050513097 MFZIEYPAHWNLFF-INIZCTEOSA-N 310.279 5.236 30 10 DKEE CCOc1c(C(F)F)ccc(C(F)(F)F)c1C(F)(F)F 2060215271 ARPXJVJVBXHTHR-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE O=C[C@@]1(Cc2cc(Cl)sc2Cl)CCCCC12CC2 2074820354 PRCRQKNYLIWHCX-AWEZNQCLSA-N 303.254 5.137 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2102477470 PMVNQEFISKRWRE-ZBFHGGJFSA-N 322.290 5.073 30 10 DKEE C=CC1(C[C@@H](NCC)c2cscc2C(F)(F)F)CCC1 2168027526 FGUXOLQKMFRXLX-CYBMUJFWSA-N 303.393 5.164 30 10 DKEE CCCCCCCCCCCCCC(=O)CCCSC 2177834420 BQWNCYYFCIUJIQ-UHFFFAOYSA-N 300.552 6.400 30 10 DKEE C=CC1(CC(=O)c2ccc(C(F)(F)F)cc2Cl)CCC1 2179269499 VHLXWXKTESWPFY-UHFFFAOYSA-N 302.723 5.288 30 10 DKEE CCCCCCCCC(=O)c1ccc(Cl)c(OC)c1F 2203411625 NHCDVSMILCYESQ-UHFFFAOYSA-N 300.801 5.421 30 10 DKEE CCCCCCC[C@@H](NN)c1ccc(-c2cccs2)s1 2205960842 XEJAWZJWAPLTGE-CYBMUJFWSA-N 308.516 5.342 30 10 DKEE C=CCCCCC[C@@H](NC)c1scc(Br)c1C 2213770661 NTCCFHRWEOPDSU-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1scc(Br)c1C 2213776370 ZMDRFGBRGHMUFM-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=CCCCCCCC[C@H](O)c1scc(Cl)c1Cl 2220086303 NZBFDARBDFCGAZ-LBPRGKRZSA-N 307.286 6.005 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Br)c(C)c1 2227287990 RPUUQDQYICPABT-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1cc(Cl)cc(Cl)c1 2237917987 ZRWWRUSHCYDYEP-HZPDHXFCSA-N 314.256 5.311 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2270966474 FTANBZXJAJRKLR-BDJLRTHQSA-N 300.273 5.555 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2c(F)cccc2Br)C1 2273937635 PBLQSSHDADNXJW-INIZCTEOSA-N 324.237 5.241 30 10 DKEE Cc1cccc(C(=O)C=CNc2ccc(Cl)cc2Cl)c1 2297535317 KSMPMCWGRSZCNL-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE C=CCOc1ccccc1C=CC(=O)c1c(C)c(C)cc(C)c1C 2322833110 PASWNPNWTKBRBU-UHFFFAOYSA-N 320.432 5.381 30 10 DKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCCC)c2)cc1 2323076290 CUTUUQSXJWHCNI-UHFFFAOYSA-N 322.448 5.714 30 10 DKEE N#Cc1cccc(N=NN(Cc2ccccc2)c2ccccc2)c1 2330192949 GYWAFVFZDPSTDT-UHFFFAOYSA-N 312.376 5.264 30 10 DKEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2341885805 QSJLHGWSQMNFTI-IRXDYDNUSA-N 322.290 5.189 30 10 DKEE CCCCCC[C@@H]1C=Cc2cc(-c3ccc(C#N)cc3)ccc2C1 2049170 VJUKTZIPHOKBNR-GOSISDBHSA-N 315.460 6.381 30 10 DKEE N#Cc1ccc(N[C@@H](c2cccs2)C2CCCC2)cc1Cl 37253505 ZZXJXAHEKHTCFX-QGZVFWFLSA-N 316.857 5.617 30 10 DKEE CCCCCCCOCc1c(C(=O)O)sc2ccccc12 59211521 AXDKMTNVJHMEST-UHFFFAOYSA-N 306.427 5.087 30 10 DKEE COc1ccc2ccccc2c1/C=N/c1c(C)cc(C)cc1C 59518797 NSIFMEVZJADIFT-LPYMAVHISA-N 303.405 5.524 30 10 DKEE CCC1CCC(C#N)(Cc2cc(Br)cs2)CC1 87933720 HCRGNCJMFZNJAA-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE C=C(C)C#C[C@](C)(O)[C@H](C)CSCCCCCCCCC 95786112 VYZBRGJPPSIOLK-MOPGFXCFSA-N 310.547 5.437 30 10 DKEE Cc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 96766526 ONQJDHMPFBTOGK-PFONDFGASA-N 312.412 5.867 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccc(Br)s1 103990529 RORIIZPMBFWWGD-GFCCVEGCSA-N 318.324 5.349 30 10 DKEE CCCCCCCCCC(=O)c1cc(Br)cs1 112721250 KFJWFFUVYUILJN-UHFFFAOYSA-N 317.292 5.834 30 10 DKEE CCCCCCCCCC[C@H](O)c1c(Cl)cccc1Cl 115651788 DEZPOFCBMTUJEA-INIZCTEOSA-N 317.300 6.558 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1cc(C)sc1C 115856421 BDLUFHLXWQOMJX-IBGZPJMESA-N 309.563 6.546 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(Cl)cc1Cl 115857042 DDXFONCJAROEPT-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCCCCC[C@H](N)[C@H]1CSCCS1 122623956 REAMCERWFYDBIL-DLBZAZTESA-N 317.608 5.473 30 10 DKEE CCCCCCCCC[C@H](NN)c1ccc(F)cc1Cl 126096786 CUZJVRLXKVBMJD-INIZCTEOSA-N 300.849 5.124 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cc1F 160493321 SSJIEFJAASISKZ-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCC[C@H](NCCC)c1sccc1C 162299596 AWXAHRFJFDOBGF-SFHVURJKSA-N 309.563 6.628 30 10 DKEE CCCCCCCCNc1ccc(NC(=O)OC(C)(C)C)nc1 227622452 QDPJSABBTUYQLC-UHFFFAOYSA-N 321.465 5.201 30 10 DKEE CCCCc1ccc(N=C/C=C(/O)c2ccc(OC)cc2)cc1 252599402 DIMBTYZUFNUBLH-DKSPMQLDSA-N 309.409 5.339 30 10 DKEE CCOc1ccc2ccccc2c1C=Nc1ccc(C)c(C)c1 254301671 BIROEMPLNLAOQZ-UHFFFAOYSA-N 303.405 5.606 30 10 DKEE C(=NNc1nc(-c2ccc3ccccc3c2)cs1)c1ccco1 254392601 SPGJFNALSHFJSK-UHFFFAOYSA-N 319.389 5.002 30 10 DKEE CSc1ccc(C=Nc2ccc(Oc3ccccc3)cc2)cc1 257353989 VAKGALODMAVDRY-UHFFFAOYSA-N 319.429 5.951 30 10 DKEE C=CCCC[C@@H](NCC)c1cccc(OCc2ccccc2)c1 303759901 FWYCUNWUKYALMI-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE C[C@@H](Nc1cccc(CC#N)c1)c1ccc(Cl)cc1Cl 313411250 PKRVNCKKRGEHLZ-LLVKDONJSA-N 305.208 5.233 30 10 DKEE C=C(CC)CC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 405736786 VBLVESLHLLHUGA-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE CCCCCCC[S@](=O)Cc1ccc(Cl)c(Cl)c1 526857267 ALKGSSSKZBURKM-SFHVURJKSA-N 307.286 5.213 30 10 DKEE CC[C@@H]1CCCCC[C@H]1Nc1ccc(Br)cc1C#N 691074423 JYKONGZZNWRXGZ-IUODEOHRSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cscc1C(F)F 717218557 VOMJOXKBZWXYCI-OAHLLOKOSA-N 303.462 6.216 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3ccccc3O)ccc21 1084285228 JMUHETMHCLDIIQ-UHFFFAOYSA-N 314.388 5.271 30 10 DKEE N#Cc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1 1848360092 SADOGBBTUKHTJZ-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC1(C)OB(CCCc2cc(Cl)cc(Cl)c2)OC1(C)C 1889711134 GKDIMSDLAVTZQB-UHFFFAOYSA-N 315.049 5.018 30 10 DKEE C=CC1(C[C@H](O)c2cccc(OCc3ccccc3)c2)CCC1 1980027067 LSHPHOXSFRUYLP-FQEVSTJZSA-N 308.421 5.045 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(C)c(Br)c1C 2108005561 USDOTAKAOFSIEL-INIZCTEOSA-N 324.306 5.463 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](NC)c1cc(Cl)sc1C 2154430910 CNOIZOQAASGKQH-CVEARBPZSA-N 317.926 5.082 30 10 DKEE Cc1cc(Oc2cc(Cl)c(C#N)cc2F)cc(C)c1Cl 2177387749 IWBUBUUIGAINAF-UHFFFAOYSA-N 310.155 5.413 30 10 DKEE C=C(Cl)CO[C@H]1CCCCCCCCCC[C@@H]1NCC 2178552725 YXJZNWNPHZXFTA-IRXDYDNUSA-N 301.902 5.017 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(C(F)(F)F)cc1Cl 2179258558 FRYDFIWNVLWPPU-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCCCCCCC[C@H]1CCSCC[C@H]1O 2181693736 IFCNHSHLEMJQMM-ZWKOTPCHSA-N 300.552 5.802 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(-c2cccs2)s1 2206898112 PXKJKXCLSLREQG-AWEZNQCLSA-N 306.496 6.037 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1scc(C)c1Cl 2207407095 BJINUCNFGAJDRC-HNNXBMFYSA-N 313.938 6.277 30 10 DKEE CC(C)(C)C#CC=CC[C@H](O)c1cc(Cl)sc1Cl 2256766777 YUQXZJHBTPRJRR-NSHDSACASA-N 303.254 5.084 30 10 DKEE Cc1ccc(CNc2cc(Cl)c(Cl)cc2C)cc1C#N 2281489724 OLUKCTWEWDEOLD-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=C[C@H](C)CCN(C)CCCc1cc(Cl)cc(Cl)c1 2341128718 WZIBGLJZWKIHIK-ZDUSSCGKSA-N 300.273 5.070 30 10 DKEE CCCCCCC[C@H](NN)c1cc(Cl)c(C(F)F)s1 2345147682 QCROVFFIVWJZRD-JTQLQIEISA-N 310.841 5.204 30 10 DKEE C=CCC(CC=C)[C@H](O)c1ccc(Cl)cc1C(F)(F)F 2364082838 GTNVWGPJDZQKLP-AWEZNQCLSA-N 304.739 5.161 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 2364086555 MHMYQGLEWJMWBF-CQSZACIVSA-N 304.739 5.161 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2364415786 UPXNFNYBKDZJIZ-INIZCTEOSA-N 314.300 6.089 30 10 DKEE C=CC[C@](C)(CC)C(=O)Cc1cc(Cl)c(OC)c(Cl)c1 2370511375 SPIXVWWZSLFGHU-INIZCTEOSA-N 315.240 5.106 30 10 DKEE Cc1ccc(NC(=NC2CCCCC2)Nc2ccc(C)cc2)cc1 33996725 POVFZYYJDZREOS-UHFFFAOYSA-N 321.468 5.516 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccc(F)cc1Cl 109744688 WUYRAMZZWBSUQX-GOSISDBHSA-N 313.888 6.270 30 10 DKEE C=C(C)CCC(=O)c1ccc(Br)c(C(F)(F)F)c1 123354177 APHQPQCEJABYKS-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE CCCCCCCCCCn1c(S)nc2cc(Cl)ccc21 129433990 DTUHBRFNDZAAFF-UHFFFAOYSA-N 324.921 6.119 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(Cl)cc(Cl)c1 159046434 DUBNKINKODDFBB-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE Cc1ccccc1CSc1ccc(C(F)(F)F)c(C#N)c1 164518593 RSPFXQHAMCFRAK-UHFFFAOYSA-N 307.340 5.178 30 10 DKEE CCCC(CCC)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 211919768 BPPWMUSMEVTVEQ-CQSZACIVSA-N 312.240 5.386 30 10 DKEE C=CCSc1ccccc1N[C@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 226976629 RHKZLZWRCCBQOE-DKSSEZFCSA-N 301.499 5.591 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(C)ccc1Br 233607181 XKSIKARGGRSADY-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CC(=NO)c1ccc(C)cc1OCc1cc(Cl)ccc1Cl 252662586 FVFYZMZRBGKTFW-UHFFFAOYSA-N 324.207 5.079 30 10 DKEE CC(=NNc1nc(-c2ccc(C)cc2)cs1)c1ccc(C)cc1 254386594 OEXIBFUOGWBMNU-UHFFFAOYSA-N 321.449 5.263 30 10 DKEE Cc1nc2ccc(N=Cc3cccc4ccccc34)cc2s1 254406319 VOGGQGNCZCZCEG-UHFFFAOYSA-N 302.402 5.509 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc(Cl)sc2Cl)C1 312690297 OORVMJKNTGDJPA-IUPBHXKESA-N 318.269 5.198 30 10 DKEE CCCCCCCCCC[C@H](NCCC)C(C)(C)SC 327819496 YRXBDYNIWMUPPI-KRWDZBQOSA-N 301.584 6.027 30 10 DKEE N#Cc1csc(CNc2cc(Cl)c(Cl)c(Cl)c2)c1 404315186 UJEUAZGPLNEZAV-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1Cl 587899890 IYRJEXAXZGMVSW-UHFFFAOYSA-N 311.595 5.055 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 695070717 GXAQBFQSEPMOPV-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CCCCOC[C@H](NCCC)c1cc(Cl)ccc1Cl 709537567 IHHMZDPISSVDON-INIZCTEOSA-N 316.272 5.017 30 10 DKEE C=C(Cl)C[C@H](NC)c1ccc2cc(Br)ccc2c1 710643760 WMJQNTGXSJQKLD-HNNXBMFYSA-N 324.649 5.005 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Br)c(C)c1 715777218 ZSKKXZMYZMQBQM-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE C=CCC(C)(C)COCc1sc(Cl)cc1Br 1903678157 KJJFMGIIBDINRY-UHFFFAOYSA-N 323.683 5.283 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1c(Cl)cccc1Cl 1919526324 SBXRNPUBGJNUHN-MRXNPFEDSA-N 302.289 5.614 30 10 DKEE C#CC(C)(C)c1cc2ccccc2cc1NC(=O)OC(C)(C)C 1951948464 PHUVVCMEKCDGOE-UHFFFAOYSA-N 309.409 5.098 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)CC1CCC1 1995320295 SLUXIIGLFLCDBQ-UHFFFAOYSA-N 313.529 6.205 30 10 DKEE C=CCCC[C@H](NCC)c1c(Cl)cccc1Br 2000327167 PHMSJBPUNDFISH-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1cc(Cl)c(Cl)s1 2037456461 OETNHUADRZTTBV-SNVBAGLBSA-N 317.628 5.385 30 10 DKEE CSc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)F 2060209244 CGAUUXVNURKKGM-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CC1(C)CCCC[C@]1(C=O)Cc1cc(Cl)sc1Cl 2074819823 MTIPQMBAOQFRHK-CQSZACIVSA-N 305.270 5.383 30 10 DKEE C=CCCCCCC[C@H](N)c1cccc(Br)c1F 2085850386 VIACHZSWGFTFKF-AWEZNQCLSA-N 314.242 5.115 30 10 DKEE CCCCCCCC(=O)c1cccc(SC(F)(F)F)c1 2164062964 IZOBVPKIBMTBPN-UHFFFAOYSA-N 304.377 5.842 30 10 DKEE C=CCCCCCCC[C@H](NCC)[C@H](C)OCc1ccccc1 2211147049 VMYIIIJDVMBECE-FPOVZHCZSA-N 317.517 5.487 30 10 DKEE C=CCCN(Cc1ccccc1)CC1(C)CC2(CC(F)(F)C2)C1 2212378453 MYFBDRWBMRYAGA-UHFFFAOYSA-N 319.439 5.280 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cnn(Cc2ccccc2)c1 2212667905 PYZLWNGJWSHEGI-GOSISDBHSA-N 313.489 5.482 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(Br)cc1C 2221727106 LEBMCEJBVQAUFY-WBMJQRKESA-N 310.279 5.010 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(Br)cc1C 2227278873 DRAUVPNALVUUFG-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cccc(Cl)c1Cl 2231924430 RBIQRTHMOYBXRX-CYBMUJFWSA-N 302.289 6.544 30 10 DKEE C=CCCCCCCC[S@@](=N)(=O)c1ccc(F)c(Cl)c1 2235769276 QJNAFQODXMLIPH-HXUWFJFHSA-N 317.857 5.411 30 10 DKEE CCCC#CC[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2265945553 OJUNIFKONRSDRC-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE C=CCCCS[C@H]1CCCCCCC(F)(F)[C@H]1NCC 2287069244 PWIJGPMJMNQFOU-GJZGRUSLSA-N 305.478 5.022 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(Br)cc1C 2321114897 ZRDWXJJPEKLMMW-HZPDHXFCSA-N 310.279 5.010 30 10 DKEE Cc1c(Cl)ccc([C@H](C)[C@]2(C#N)CCCS2)c1Cl 2327958914 OTJHBIYPQSBMGT-IINYFYTJSA-N 300.254 5.195 30 10 DKEE Cc1c(Cl)ccc(Nc2ccc(C#N)c(Cl)c2)c1Cl 2340139215 MEWDJISZPORTRG-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=CCCCCCCC(=O)c1c(Cl)cc(F)cc1Cl 2340796541 WBJNYZVJASHGBQ-UHFFFAOYSA-N 303.204 5.842 30 10 DKEE C=CCCC[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2364006923 LNQFQPSEAVZVST-HNNXBMFYSA-N 314.300 5.569 30 10 DKEE C[C@H]1CCCC[C@@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366910779 UDGJUPPILRIAQP-GUYCJALGSA-N 310.268 6.036 30 10 DKEE C/C=C/C=N\c1ccc(Oc2ccc(/N=C/C=C/C)cc2)cc1 5282676 SPICVBKTSZWOQA-OUFOZPMZSA-N 304.393 6.036 30 10 DKEE Cc1cc(Cl)ccc1Nc1ccc(C(F)(F)F)cc1C#N 37333984 JCRQITDXKVRSBU-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1 37938245 JLIYKOKJJALFQP-CQSZACIVSA-N 310.706 5.036 30 10 DKEE Cc1cc(C)c(/N=C/c2ccc(Br)cc2)c(C)c1 59518681 IBBAKHFQJPYAOC-VCHYOVAHSA-N 302.215 5.125 30 10 DKEE CCCCCCCCCC[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 59908113 RWTBKCNWEHDYIT-QGZVFWFLSA-N 321.417 5.294 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 69381657 NWDRKEBOMYTKHT-STQMWFEESA-N 315.404 5.498 30 10 DKEE CCCCCCCCCCCCCCCC[C@@H](C)CC(C)C 80022083 PPSYHXHRYMEFQY-JOCHJYFZSA-N 310.610 8.540 30 10 DKEE CC1(C)CCC(C#N)(Cc2cc(Br)ccc2F)CC1 87940211 LGOKCPIRHUZFQA-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CC(C)[C@@H](CS)CN1c2ccccc2Sc2ccccc21 94586499 JALKREVJKJAHCC-CQSZACIVSA-N 315.507 5.491 30 10 DKEE c1ccc(O/C(=N\c2ccc3ccccc3c2)c2ccccc2)cc1 105903037 DDZOPCMCSISQKV-VHXPQNKSSA-N 323.395 5.997 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(Cl)c(Cl)c1 115062649 DDYSQSSCKFJVLN-INIZCTEOSA-N 302.289 6.134 30 10 DKEE N#Cc1cc(Cl)nc(Sc2ccc(Cl)c(Cl)c2)c1 122912502 JMKHEPOZSRLXEK-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE CCCCCCCCCC[C@H](NC)[C@@H]1SCCS[C@@H]1C 228120468 FQJPCWGDHRXKKV-IXDOHACOSA-N 317.608 5.342 30 10 DKEE CCCCCCCCCC[C@H](NC)[C@H]1SCCS[C@@H]1C 228120487 FQJPCWGDHRXKKV-IKGGRYGDSA-N 317.608 5.342 30 10 DKEE CC(C)(C#N)CCCCSc1cc(Cl)ccc1Cl 232523843 LXPFEXVTCXQLMF-UHFFFAOYSA-N 302.270 5.806 30 10 DKEE CCCCCCCCCCC(=O)c1cc(Cl)sc1Cl 232918713 GEMAZUVXLOCFSV-UHFFFAOYSA-N 321.313 6.768 30 10 DKEE CCCCCCC[C@H](CN)N(C)[C@H](C)c1cccc(Cl)c1 250827516 OJVKLAHEAXFDTH-CRAIPNDOSA-N 310.913 5.021 30 10 DKEE Cc1cc(C#N)cc(N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 308124644 XCUVFOHZDBKUKD-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2ccsc2Cl)CC1 312664330 VBKDYISIUAYESH-ULKWEWGCSA-N 311.878 5.181 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Br)oc1C 396555157 QLGBRBRALSGQPI-CQSZACIVSA-N 314.267 5.138 30 10 DKEE N#C[C@H]1CCCC[C@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404365397 RFOGYFQEIBAVNT-PRHODGIISA-N 303.620 5.141 30 10 DKEE CC(C)(C)C1=C/C(=C/C=C2C=CC(=O)C=C2)OC(C(C)(C)C)=C1 585660581 HYVYRCYFTPPHMT-PDGQHHTCSA-N 310.437 5.425 30 10 DKEE CCCCCCCCCNCc1cccc(Cl)c1Cl 693628543 CLARAVQMSXKXQR-UHFFFAOYSA-N 302.289 5.834 30 10 DKEE Cc1ccc(/C(=N/OCc2ccccc2Cl)C2CC2)cc1C 821226891 MOUIMFHUCJRSMN-XUTLUUPISA-N 313.828 5.288 30 10 DKEE C=CCn1c([C@@H]2C[C@H]2c2ccccc2Cl)nc2ccccc21 1873514130 YIUPOLKUIPIWCX-LSDHHAIUSA-N 308.812 5.147 30 10 DKEE CC(C)=C(CSC[C@H]1CC[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 1901712254 XFJPNBKFZDQTER-GJZGRUSLSA-N 324.339 5.124 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)CCCCC 1917946205 BWEIYBJJPHZNOH-HXUWFJFHSA-N 303.556 6.144 30 10 DKEE N#C[C@@]1(CCc2cc(Cl)cc(Cl)c2)CCCC12CCC2 1921627686 PORLMLYJJKQJOS-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C(C)(C)C1CCCC1 1938420554 LEVIZDNNSXHCRM-HOCLYGCPSA-N 322.493 5.131 30 10 DKEE CCCCCCCCC[C@H](N)c1nc(Br)cs1 1950122227 XLEBHNKRPPALJV-NSHDSACASA-N 319.312 5.046 30 10 DKEE C=CCCCCCCC(=O)c1cccc(C)c1Br 2085850309 UNJMMTLSTKAGOE-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(C(F)(F)F)c(Cl)c1 2146758570 AURTUNZXLVIWLM-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE CCCC[C@](C#N)(CC)CCc1c(C)nc(Cl)nc1Cl 2164476515 ZXHUARMIUGFKSI-OAHLLOKOSA-N 314.260 5.135 30 10 DKEE CCCC[C@@](C#N)(CC)c1c(Cl)cc([N+](=O)[O-])cc1Cl 2164476973 FSQZAXRYMFATQK-CQSZACIVSA-N 315.200 5.263 30 10 DKEE C=CC1(C[C@@H](NC)c2cc(-c3cccs3)cs2)CCC1 2168029181 TVIORHYLGFRILM-CQSZACIVSA-N 303.496 5.484 30 10 DKEE CCCCCCCCCCN(C)CC(F)(F)C(F)(F)F 2195667762 CGRGOPVIYQIWSR-UHFFFAOYSA-N 303.359 5.257 30 10 DKEE C=C1CCC(C[C@H](O)c2cc(-c3cccs3)cs2)CC1 2196504105 OEUIZCPXUNSWGO-HNNXBMFYSA-N 304.480 5.647 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205863275 FHANAIFBRXRYAQ-ZIAGYGMSSA-N 303.496 5.484 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205939423 XRQMRAIXNDNLGB-CQSZACIVSA-N 305.512 5.874 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1scc(C)c1Cl 2207401770 FCOHSKFHRIQHOZ-OAHLLOKOSA-N 313.938 6.407 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(Br)cc1C 2221728916 GMZZVBGYQALWJK-MRXNPFEDSA-N 312.295 5.292 30 10 DKEE CCCCCCCC[C@](C)(O)C(=O)c1csc(Cl)c1 2231925504 NNXNBYMNIBKYSI-HNNXBMFYSA-N 302.867 5.086 30 10 DKEE C=CCCCCCCC[C@H](N)CSc1ccccc1Cl 2235518029 CFUSNJPLZZPRSV-HNNXBMFYSA-N 311.922 5.676 30 10 DKEE CCCCCCCC[C@](C)(O)c1ncc(C(F)(F)F)s1 2240619381 GFCOYILNNKUMKE-ZDUSSCGKSA-N 309.397 5.120 30 10 DKEE C=C1CC(CNc2cc(Cl)c(Br)cc2Cl)C1 2246021431 LGUFJYRRJQNKET-UHFFFAOYSA-N 321.045 5.134 30 10 DKEE C=CC[C@H](C)[C@H](NC)c1cc(Br)cc(C(C)C)c1 2254725248 AEWJSPLYMAMABR-LRDDRELGSA-N 310.279 5.045 30 10 DKEE C[C@H](CCS)CCSCC1(C)CC(C(F)(F)F)C1 2259120081 HOTJCEYGHISBGN-VOMCLLRMSA-N 300.455 5.044 30 10 DKEE CCCCCCCC[C@H](OCCN)c1cscc1Cl 2277356906 CLIQKSSFANCBEL-HNNXBMFYSA-N 303.899 5.169 30 10 DKEE C=CCCCCCCCSCCCCCCCCCO 2287085651 SLWRQVFZHWOJFL-UHFFFAOYSA-N 300.552 5.969 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)c1cccc(C(C)C)c1 2303663604 WPFKZVFFPOXBIZ-JOCHJYFZSA-N 323.480 5.234 30 10 DKEE C=CCC(CC=C)SC[C@@H](N)c1c(Cl)cccc1Cl 2335095687 DXBKGQFYSVGKQG-CQSZACIVSA-N 316.297 5.247 30 10 DKEE C=C[C@](C)(CNC(C)C)Cc1ccc(Cl)c(Cl)c1C 2338704169 ALXCJNZYZLLGJR-INIZCTEOSA-N 300.273 5.035 30 10 DKEE C=CC[C@@H](CNCCC)Cc1ccc(Cl)c(Cl)c1C 2338705024 JOKLURLVVJADGG-CYBMUJFWSA-N 300.273 5.036 30 10 DKEE C=CCCCCCCC[C@H](O)c1c(Cl)cc(F)cc1Cl 2366416963 DIQZXSUCOLWNPU-HNNXBMFYSA-N 319.247 6.083 30 10 DKEE C=CC[C@](C)(CC)C(=O)CCCCC(F)(F)C(F)(F)F 2370567315 GHZWKKXIZWLKCL-LBPRGKRZSA-N 300.311 5.306 30 10 DKEE CCCC(CS)(CCC)CSc1cccc(Cl)c1 94589405 YZNIVFKYXVVAKY-UHFFFAOYSA-N 302.936 5.949 30 10 DKEE Cc1cc(N/C=C\C(=O)c2ccc(C(C)C)cc2)ccc1Cl 103030049 JFFMXMGGYBJSSZ-KHPPLWFESA-N 313.828 5.580 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(Cl)cc1)NCCC 109723251 FFEJYNGLVXFDLP-IBGZPJMESA-N 309.925 6.001 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccccc1C(F)(F)F 109958401 QBVYHCAVMAQQHA-CQSZACIVSA-N 301.396 5.544 30 10 DKEE CCCCCCCCCC[C@@H](O)CSc1ccc(F)cc1 116705339 QPVXDGFJLSINAO-QGZVFWFLSA-N 312.494 5.810 30 10 DKEE CCCCCCCC[C@H](Cc1csc2ccccc12)NN 122105970 OFOXSOGFDURNTQ-MRXNPFEDSA-N 304.503 5.026 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc2ccccc2s1 127064045 FUFJSXRYPZFZDV-IBGZPJMESA-N 304.499 6.250 30 10 DKEE CCCCCCCCC[C@H](NCC)c1snnc1C(C)C 139478752 IBHQFEACLTVIDH-HNNXBMFYSA-N 311.539 5.453 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)cn2)C1 227473052 PVCLUVJIHYRAPI-SCRDCRAPSA-N 308.878 5.182 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1cc(OC)cs1 229285051 MHQOKBKUPLIJMX-KRWDZBQOSA-N 312.519 6.101 30 10 DKEE CCCCCCCN[C@@H](CC)c1ccc(Cl)c(Cl)c1 703707608 DLHVZLNBAJFECS-INIZCTEOSA-N 302.289 6.005 30 10 DKEE Clc1cc(Cl)cc(C#Cc2c(Cl)cccc2Cl)c1 1614730954 LADISIRGNBGDEX-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE Fc1cc(C(F)F)ccc1-c1c(F)c(F)c(F)c(F)c1F 1848358925 MFDJSGMXYMXNPF-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)CC2CC2)C1 1946843383 YPSGTWSKJDNJHD-HBMCJLEFSA-N 324.512 5.253 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)c1cc(Cl)c(C#N)cc1F 1974825274 JPGVZGJNMLGBTE-ZDUSSCGKSA-N 316.807 5.156 30 10 DKEE Cc1ccc(C(=O)C=C2CCCC2)cc1NC(=O)OC(C)(C)C 1983508394 YMKWLONGEZZKPJ-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE Cc1sc(Br)c(C(=O)C=Cc2ccccc2)c1C 2039559263 VTSCDPIWKBNYHK-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE Cc1ccc(C(=O)C2=CCC(C)(C)CC2)c(Br)c1 2061185002 ABUUWGLKGRXGJE-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE CC(C)c1cccc([C@@H](C)n2nc(C3CCCCC3)cc2C#N)c1 2070113191 WVTLRWBUUJMHRR-MRXNPFEDSA-N 321.468 5.535 30 10 DKEE C#CCC1(Nc2nc(Cl)c(Cl)cc2Cl)CCCCC1 2089976176 XEVXRFYIMXVMHF-UHFFFAOYSA-N 317.647 5.180 30 10 DKEE CCCCCC#CC[C@H](O)c1ccc(C)c(Br)c1C 2138913588 CKSDXUSMUAZDEA-INIZCTEOSA-N 323.274 5.073 30 10 DKEE C=CCC[C@@H](C)[C@@H](CSc1cccc(Cl)c1)NCCC 2158319744 GEWTWHBBXNBACF-RHSMWYFYSA-N 311.922 5.403 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cc(C)c(Cl)s1 2165334452 DPUJSQXRCSHRCQ-AWEZNQCLSA-N 316.942 5.745 30 10 DKEE CCCC#CC[C@@H](NCC)c1cc(-c2cccs2)cs1 2203821403 DCTWTQLUPYCUMF-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1ccsc1Cl 2207451889 DJRKYIMJQRLQNO-CABCVRRESA-N 317.926 5.164 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1scc(Br)c1C 2210641607 XQZYFJGIOAOQIO-NSHDSACASA-N 322.699 5.002 30 10 DKEE C=CCCCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2254733654 GMNFKLSKPBOFJH-MRXNPFEDSA-N 310.279 5.319 30 10 DKEE CC#CCCCCC(=O)c1cc(Br)cc(C(C)C)c1 2266014368 IDRNJNNGNRORFX-UHFFFAOYSA-N 321.258 5.339 30 10 DKEE CCCCC#CC[C@H](O)c1cc(Br)cc(C(C)C)c1 2266019541 RVTUCBABRDNNEN-KRWDZBQOSA-N 323.274 5.190 30 10 DKEE CCCC(CS)(CCC)CSCCCCCCOC 2271886261 QCWIXVSLEJRLCT-UHFFFAOYSA-N 306.581 5.443 30 10 DKEE C=CCCCCCCCCNc1cc(C)c(Cl)cc1Cl 2294707890 XMKCUTQJSWFEJM-UHFFFAOYSA-N 314.300 6.630 30 10 DKEE C=CCC(C)(C)[C@H](O)c1cc(Br)cc(C(C)C)c1 2321228146 KSQNIHBKQJPTHQ-OAHLLOKOSA-N 311.263 5.208 30 10 DKEE C=CCOc1ccccc1C=CC(=O)c1c(C)cc(C)cc1C 2322941962 KDRVIANRIHBLED-UHFFFAOYSA-N 306.405 5.073 30 10 DKEE C=CCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2339007805 QBSMMLWCYUDDTM-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE CC(C)(C)C#CC=CC[C@H](N)c1cc(F)c(Cl)cc1Cl 2377269431 FGIZOTIWIDSOKM-HNNXBMFYSA-N 314.231 5.128 30 10 DKEE S[C@H](c1cccc(OCc2ccccc2)c1)c1cccs1 6416335 PKDFZBHXCVDOOJ-GOSISDBHSA-N 312.459 5.346 30 10 DKEE N#C[C@H](C(=O)c1csc2ccccc12)c1ccccc1Cl 44268184 LHVOMVVWEYOZRZ-ZDUSSCGKSA-N 311.793 5.045 30 10 DKEE CCCCCCCOc1c(Cl)cc(Cl)cc1CNC 59300121 GVPLIZZULWUFIW-UHFFFAOYSA-N 304.261 5.062 30 10 DKEE CC(C)(C)c1oc(-c2ccc(Cl)cc2Cl)cc1CC#N 77084934 PFMXQEAXHGFERV-UHFFFAOYSA-N 308.208 5.617 30 10 DKEE CC(C)(C)[C@H]1CCC[C@H](Nc2ccc(C#N)c(Cl)c2)CC1 86955315 XCGBDOMNYWCOPR-GJZGRUSLSA-N 304.865 5.619 30 10 DKEE N#Cc1c(-c2ccc3ccc4ccccc4c3c2)csc1N 90562733 CWYOMPPBXBMZLW-UHFFFAOYSA-N 300.386 5.175 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccc(-c3ccccc3)cc2)cc1 90765399 KLRAFBDKFIRYAJ-UHFFFAOYSA-N 310.440 6.051 30 10 DKEE Cc1ccc(C(C)C)cc1OCC1(CS)CCCCCC1 94585478 OHRSKVZSSMMTMW-UHFFFAOYSA-N 306.515 5.768 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)sc1Cl 115064663 VTHANUMRBRITLJ-LBPRGKRZSA-N 309.302 6.229 30 10 DKEE CCCCc1ccc(/N=C/c2ccc(OC(F)F)cc2)cc1 169514046 LAJRDKIZERBEHP-FYJGNVAPSA-N 303.352 5.381 30 10 DKEE C=CCOc1cc(C(C)(C)C)c(OCC=C)cc1C(C)(C)C 219876003 HXYJHGBVVYGXBU-UHFFFAOYSA-N 302.458 5.411 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(F)c(F)c2)C1 222270991 YSLNHWKECJNPSO-HSMVNMDESA-N 309.425 5.411 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 226802523 ZJWPSJXKQLJCAT-XQBPLPMBSA-N 317.432 5.468 30 10 DKEE CCCCCCCCC[C@H](O)Cc1cc(Cl)ccc1OC 229258061 OIWDLJFFCCVKGO-KRWDZBQOSA-N 312.881 5.393 30 10 DKEE CCCCCCCCNc1cc(C)c(N)cc1Br 232941769 KTXMVZLHZNUIDZ-UHFFFAOYSA-N 313.283 5.112 30 10 DKEE C=CCCCCC[C@H](O)c1cccc(Br)c1Cl 236538140 KJVOYLXXKKMYRQ-ZDUSSCGKSA-N 317.654 5.272 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1cccc(OCc2ccccc2)c1 310132096 YHCMLZVGDLNIAW-GHTZIAJQSA-N 320.436 5.150 30 10 DKEE C=CCCCCNc1ccc(Br)cc1C(F)(F)F 311070203 YVLNMGVJSVUXFR-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE CC1CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 698381104 VUYSJRKPPIIREG-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 709117940 LNOCIGNNXGRUPT-GWCFXTLKSA-N 312.240 5.242 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 709117944 LNOCIGNNXGRUPT-GXFFZTMASA-N 312.240 5.242 30 10 DKEE CCCCCCc1ccc(C=Nc2ccc(C(=O)O)cc2)cc1 1081820372 ATFXQIHWPYVFIQ-UHFFFAOYSA-N 309.409 5.258 30 10 DKEE N#Cc1ccc(NC(=O)c2c3ccccc3cc3ccccc23)cc1 1891062929 OSYCXRSJWWOVCL-UHFFFAOYSA-N 322.367 5.117 30 10 DKEE C=CC[C@@H](C)Sc1nc2ccc(Br)cc2s1 1899433563 QOBVKJXENBECRQ-MRVPVSSYSA-N 314.273 5.116 30 10 DKEE CCCCCCCCCCN[C@@H]1CC[C@H]1OCc1ccccc1 1939559774 OOYDHKWVUNRBIM-NHCUHLMSSA-N 317.517 5.465 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 1951300950 WVBCDPQRDWBQMN-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE C=CCCCCC[C@]1(O)CC[C@H](C)C[C@H]1OCc1ccccc1 1991142441 GRCAJKDXJPYZAR-TYPHKJRUSA-N 316.485 5.259 30 10 DKEE C=CCC[C@@H](N)c1ccc(-c2ccccc2Br)s1 2045622832 NSXNASNLEFUZAR-CYBMUJFWSA-N 322.271 5.144 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2107875291 JMLFTKVUEBRPMO-BMIGLBTASA-N 320.691 5.900 30 10 DKEE C=CCCCC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2123089051 ORUIYNSWCAVWPA-ZDUSSCGKSA-N 320.691 6.044 30 10 DKEE CCCCCCCC(=O)[C@](C)(O)c1ccc(Cl)c(Cl)c1 2147017981 URJFRJGDDNCCHU-MRXNPFEDSA-N 317.256 5.131 30 10 DKEE CCCCCCC[C@@H](NCC)[C@H](O)c1cc(C)c(Cl)s1 2165428882 FZFKLEGLPDFKOY-HIFRSBDPSA-N 317.926 5.082 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc(C(F)F)cs1 2177440267 NBTQDZKILOSJLR-CQSZACIVSA-N 304.402 5.039 30 10 DKEE C=C(F)C[C@H](NCCC)c1cccc(SC(F)(F)F)c1 2182512949 PMDLUKJADWDCKS-ZDUSSCGKSA-N 307.356 5.213 30 10 DKEE CCCC#CC[C@@H](NCC)c1ccc(-c2cccs2)s1 2205877369 RYILDSZCKRWYLJ-CQSZACIVSA-N 303.496 5.321 30 10 DKEE C=CCCCCCCN(C)Cc1cc(C(F)(F)F)cs1 2206896075 ACZCWHLLSSVJDQ-UHFFFAOYSA-N 305.409 5.335 30 10 DKEE C=CCCCCCCCC[C@H](N)c1c(Cl)cncc1Cl 2207425069 MIUPRKVHXQIWOX-HNNXBMFYSA-N 315.288 5.695 30 10 DKEE CCC#C[C@@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2233783452 VSJYTLMVQBWPIK-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CCCCCCCC[C@H](O)c1ncc(C(F)(F)F)s1 2235535338 OBJBOLGLAOPIEI-NSHDSACASA-N 307.381 5.112 30 10 DKEE C=CCCCCCCC[C@@H](O)c1c(F)ccc(F)c1Cl 2235536924 ZQSZFNPJPNPFPS-CQSZACIVSA-N 302.792 5.568 30 10 DKEE FC1CC(CS)(CSc2cc(Cl)ccc2Cl)C1 2247176692 RCKCFVWRFSTRIO-UHFFFAOYSA-N 311.274 5.134 30 10 DKEE CCCCCCCCC[C@@H](N)c1csc(Cl)c1OC 2268917533 PWOIZIHRDBDEHI-CYBMUJFWSA-N 303.899 5.551 30 10 DKEE FC(F)(F)c1ccc(SCCCCCCCS)nc1 2277505503 AGICEWHFVQPQKY-UHFFFAOYSA-N 309.422 5.073 30 10 DKEE N#C[C@@H](CSCC1CC(C(F)(F)F)C1)C1CCCCC1 2287323536 VIQCLTCTZOZAGI-QRMWWUJWSA-N 305.409 5.028 30 10 DKEE CCCCCCCCC[C@@H](C)Nc1ccc(Cl)c(Cl)c1 2295672154 ZNIITKJUFIRQBC-CQSZACIVSA-N 316.316 6.935 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1csc(Cl)c1 2295682244 OGFDGBKCZDUOIM-HZPDHXFCSA-N 317.926 5.293 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1csc(C)c1Br 2303640475 WSTLBQQYGODYLN-IINYFYTJSA-N 316.308 5.072 30 10 DKEE CC1(C)CC(CS)(CSc2nc3ccccc3s2)C1 2345004517 LUMMSNMXVSYKSD-UHFFFAOYSA-N 309.525 5.125 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(C)c1)N2 14480187 SBMMVGUQILDFKD-CNNODRBYSA-N 317.432 5.386 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 37345272 UUXHOYJXKLFHLJ-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE Fc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F 63979955 GANZGARSDVDIAF-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCCC(CS)(CCC)COc1ccccc1[C@@H](C)CC 94583179 RWAGHRDBDDQLJO-INIZCTEOSA-N 308.531 6.095 30 10 DKEE CCCCCCCCCCCCOc1ccc(C=O)cc1OC 100311429 DNOUZCXUTYVRSR-UHFFFAOYSA-N 320.473 5.807 30 10 DKEE Cc1cc(Br)cc2c(-c3ccccc3)c(C#N)oc12 110162474 JGKFWHHCGYWKTP-UHFFFAOYSA-N 312.166 5.042 30 10 DKEE CCCCCCCCCCC[C@H](CCc1ccsc1)NN 123175744 RYQFWMGAVMXFFH-GOSISDBHSA-N 310.551 5.434 30 10 DKEE CCCCCCCCCn1ccc2ccc(Br)cc21 129296174 DMCIQGQSOXOEIU-UHFFFAOYSA-N 322.290 6.154 30 10 DKEE C[C@H](O)c1ccc(C#N)cc1Sc1ccc(Cl)c(Cl)c1 131752543 VHYHQQWWYPNCEB-VIFPVBQESA-N 324.232 5.070 30 10 DKEE CCCCCCCCN[C@H]1CCc2cc(Br)ccc21 160838470 KMPZGHDVNFPLNB-KRWDZBQOSA-N 324.306 5.387 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1SCCS[C@H]1CC 162415931 JNWQLGHACCUDKI-ULQDDVLXSA-N 317.608 5.342 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(C)c(Br)c1 168362676 KAEBTBWOYCDOAP-MRXNPFEDSA-N 313.279 5.542 30 10 DKEE CCCCCCCC[C@@H]1CCC(C)(C)[C@@]1(S)c1ccccc1 205463109 FORANBFRCHPDFY-TZIWHRDSSA-N 318.570 6.999 30 10 DKEE N#CCc1c[nH]c2cc(-c3ccccc3C(F)(F)F)cc(F)c12 514263795 MLYXCRWHMUJHGA-UHFFFAOYSA-N 318.273 5.059 30 10 DKEE CC[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 710834714 YUYVIQHVMLYHNY-IUODEOHRSA-N 322.836 5.020 30 10 DKEE CCCCCCC[C@@H](N)CCc1cc(Cl)cc(Cl)c1 722115243 AXMDAHMYAANVBR-MRXNPFEDSA-N 302.289 5.614 30 10 DKEE CC(C)=NNc1nc2ccc(NCc3ccccc3C)cc2s1 952963237 YVCUJIMGTNGITK-UHFFFAOYSA-N 324.453 5.025 30 10 DKEE N#Cc1ccc(-c2c(Cl)ccc(Cl)c2Cl)cc1Cl 1848374791 NBSXWMHOBCUQCQ-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C/C(CCc1ccccc1)=N\OCc1cccc2ccccc12 1860465502 CWXSVKFFFKBIFU-OQKWZONESA-N 303.405 5.365 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1ccc(C#N)cc1Cl 1931998683 OIEDNOBCJRQBBJ-OAHLLOKOSA-N 312.844 5.263 30 10 DKEE CCCCCCCN[C@@H]1CC[C@H](C)C[C@H]1OCc1ccccc1 1977481081 IWANPFAJGNNRBT-CEWLAPEOSA-N 317.517 5.320 30 10 DKEE CCCCC1CC(C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 1984756265 RHBOORRHZLYMFG-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 1996709707 MBEVCOZPGZEMCM-UNMCSNQZSA-N 321.464 5.273 30 10 DKEE C=CCCN(Cc1ccccc1)CC1(c2ccccc2)CCCC1 2019342812 SBOWAAZVUDPCIT-UHFFFAOYSA-N 319.492 5.577 30 10 DKEE C=CCCCC[C@H](NCCC)c1snc(Cl)c1Cl 2059116245 ZPFWXIBPDLDHQF-JTQLQIEISA-N 307.290 5.237 30 10 DKEE CC(C)(C)c1ccc(-n2nc(C#N)cc2C2CCCCC2)cc1 2069951914 PFASATDLFLRXHT-UHFFFAOYSA-N 307.441 5.089 30 10 DKEE C=CCCC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 2081116048 COOPFKGOJDKYPT-LJQANCHMSA-N 309.409 5.010 30 10 DKEE C=CC1(C[C@H](Cc2c(Cl)cccc2Cl)NCC)CCC1 2168022036 CNNXXMGWCKDVGR-ZDUSSCGKSA-N 312.284 5.260 30 10 DKEE C=CCCCC[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2179703381 LBLHEEUTKFNEKG-OAHLLOKOSA-N 306.858 5.848 30 10 DKEE CCC[C@H](Nc1cc(Cl)c(F)cc1C#N)c1cccs1 2184458762 VLNSCQXCILFMJB-ZDUSSCGKSA-N 308.809 5.366 30 10 DKEE N#CC1(Cc2cc(C(F)(F)F)cs2)CCC(F)(F)CC1 2184887069 ADUFBJMTJBYQRE-UHFFFAOYSA-N 309.303 5.029 30 10 DKEE Cc1nc(Oc2cccc(Cl)c2C#N)sc1C(C)(C)C 2186488693 MHBTZSCESHTAKQ-UHFFFAOYSA-N 306.818 5.066 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1ccc(Cl)cc1Cl 2197142755 UJIPCWAFLNJBJT-KRWDZBQOSA-N 306.236 5.357 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205863653 FZEFIGJKHSFYHI-SUMWQHHRSA-N 305.512 5.730 30 10 DKEE C=CCCCCCCCC[C@H](O)c1sc(OC)nc1Cl 2207431183 CETKFIUMGWHGJI-LBPRGKRZSA-N 317.882 5.145 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ncc(Cl)cc1Cl 2207440235 YJDVAVPSLISVTI-OAHLLOKOSA-N 315.288 5.695 30 10 DKEE COC1(CSCC2(CS)CCCCCC2)CCCCC1 2280267497 RTXJQMOPRWVTHJ-UHFFFAOYSA-N 316.576 5.339 30 10 DKEE CCCCCCCC[C@H](O)c1csc(C)c1Br 2303605420 UEQXHSMAHPXZHZ-ZDUSSCGKSA-N 319.308 5.603 30 10 DKEE C=CC[C@H](C)SC[C@H](NC)c1cc(Cl)cc(Cl)c1F 2335187568 KCUDYBGJMKSZEM-ZANVPECISA-N 322.276 5.091 30 10 DKEE C[C@H]1CC(OCCCCCCCCCS)C[C@H](C)S1 2339995687 VCPWFITUJPTERS-GJZGRUSLSA-N 304.565 5.336 30 10 DKEE CC[C@]1(C)CCSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340145104 ZJTPXOYIYXFOTR-CQSZACIVSA-N 317.285 5.185 30 10 DKEE C=CCCCCCCCC[C@H](O)c1ncc(C(F)F)s1 2369581758 OZYGGANUPMLBJG-LBPRGKRZSA-N 303.418 5.421 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2370486199 IRWOPQYCBLSRNJ-SJORKVTESA-N 314.300 5.506 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377334893 NINVEQHDBHJLPO-ZBEGNZNMSA-N 318.263 5.776 30 10 DKEE Cc1cc(C)cc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1 37344084 YKTLSGIFKZLERL-ZDUSSCGKSA-N 318.203 5.100 30 10 DKEE CC(C)C1CCC(C#N)(Cc2cc(Cl)ccc2Cl)CC1 87960272 YDJZKUTVGNGPLY-UHFFFAOYSA-N 310.268 5.892 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccc(Br)cc1 109705845 UKFMVUQMDXFREP-MRXNPFEDSA-N 312.295 5.374 30 10 DKEE CCCCCCCCCCCCN[C@@H](C)Cc1ccsc1 110166312 NMFHHTXNNBUXHQ-SFHVURJKSA-N 309.563 6.190 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 110354781 KLTKTUPWOZJSSY-CKEIUWERSA-N 321.917 6.177 30 10 DKEE CCCCCCCCC[C@H](C)/C=N/c1ccccc1C(=O)OC 111408872 JOJBHOQXBDBUST-QFGIDJEJSA-N 317.473 5.952 30 10 DKEE C=CCCCCCCNCc1cc(-c2cccs2)cs1 380620493 RXFVFAOWRKDZBK-UHFFFAOYSA-N 305.512 5.703 30 10 DKEE C/C(=C\B1OC(C)(C)C(C)(C)O1)c1c(Cl)cccc1Cl 400831143 WXUXADQXDKUDRF-MDZDMXLPSA-N 313.033 5.028 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)CC1CCCCCC1 698405999 IWPUYGJTDNEZPX-DOTOQJQBSA-N 322.493 5.275 30 10 DKEE C=CCCC(C)(C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl 707769652 YBMKFBUEDIPVPO-UHFFFAOYSA-N 317.216 5.306 30 10 DKEE C=C1CCC(C[S@@](=N)(=O)c2cc(Cl)cc(Cl)c2)CC1 1879720556 GWILZTZASKKLKM-LJQANCHMSA-N 318.269 5.145 30 10 DKEE CC#CCCCCC[C@H](NCC)c1cccc(Br)c1 1885237386 QQIAKAIHWGCWDI-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CCCCCCCCN(C)Cc1cc(Cl)cc(Cl)c1 1893330906 GELAFTFPAFUKEL-UHFFFAOYSA-N 302.289 5.786 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(F)cc1C1CC1 1901157654 QYPAOYRGBGKHLU-UHFFFAOYSA-N 309.428 5.281 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(CNC(C)C)cc1C 1914934376 MJKHXOINZYJPPA-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccc(Cl)cc2)o1)[Si](C)(C)C 1922989113 NJPKCGKRQIENDU-MRXNPFEDSA-N 306.865 5.067 30 10 DKEE C=CCC[C@H](C)C(=O)c1cscc1OCc1ccccc1 1955234093 CKUOSJXZWNJOTD-AWEZNQCLSA-N 300.423 5.112 30 10 DKEE CCCCCCCCCCNCc1cc(Br)co1 2049662267 MDJUZEQYZFENGS-UHFFFAOYSA-N 316.283 5.272 30 10 DKEE C=CCCC[C@H](NC(=O)OCc1ccccc1)c1ccccc1 2081116047 COOPFKGOJDKYPT-IBGZPJMESA-N 309.409 5.010 30 10 DKEE C=CCCCCCCC(=O)Cc1cccc(Br)c1 2085848730 DLLGKIZPSULMKF-UHFFFAOYSA-N 309.247 5.087 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1occc1Br 2085851278 FJGXOEINJJMZED-CQSZACIVSA-N 314.267 5.219 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCCCC12CC2 2116995088 JKOPJSLTPOQDMO-KRWDZBQOSA-N 318.258 5.164 30 10 DKEE CCC1(CC)CSC(=Nc2c(C)cc(Cl)cc2Cl)N1 2136374820 PKSURLMNWAUXEI-UHFFFAOYSA-N 317.285 5.185 30 10 DKEE CCSc1cccc(N[C@H](C)c2sccc2C)c1C#N 2151700206 YCUWWGUWCBTISS-GFCCVEGCSA-N 302.468 5.213 30 10 DKEE CCCN[C@@H](CC#CC1CCCCC1)c1cc(Cl)cs1 2158612400 YBQSDQCYRRUAIY-INIZCTEOSA-N 309.906 5.416 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1cscc1F 2175864608 UIBPRCGITWWKEK-QGZVFWFLSA-N 300.483 6.232 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cc(Cl)ccc2Cl)CC1 2181663987 WAPWYJHFQCPLTC-GFCCVEGCSA-N 311.252 5.949 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 2200835963 FCFAVMJFDGYVNJ-VIFPVBQESA-N 302.723 5.288 30 10 DKEE C=CCCCCCCCNc1ccc(Br)cc1C#N 2227273166 PUUAJPFDUKSMLS-UHFFFAOYSA-N 321.262 5.259 30 10 DKEE Cc1cc(C)c(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)s1 2234289705 LPKYPCIXJRGIRI-CYBMUJFWSA-N 324.232 5.162 30 10 DKEE CCCCCCCC[C@](C)(O)c1c(Cl)ccc(Cl)c1F 2240618494 SWKZDYWPECVLFQ-INIZCTEOSA-N 321.263 6.091 30 10 DKEE C=C(C)CC[C@H](NC)c1cc(Br)cc(C(C)C)c1 2254725304 BACIWECCMCZGOA-INIZCTEOSA-N 310.279 5.189 30 10 DKEE C=CCCCC[C@H](NCCC)c1cnc(C(C)(F)F)s1 2289281619 SQFQITPESYKUCI-LBPRGKRZSA-N 302.434 5.042 30 10 DKEE CCCCCCCC[C@@H](OCC(=O)O)c1cc(Cl)cs1 2290605904 QUOXURFZZBPKEM-CYBMUJFWSA-N 318.866 5.294 30 10 DKEE CCC(=NOCc1cccc2ccccc12)c1ccc(F)c(C)c1 2330277673 WQLBJFUEFUXIGW-UHFFFAOYSA-N 321.395 5.618 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1ccc(C(C)C)cc1 2330454012 MNQDMZVYFRSQBY-UHFFFAOYSA-N 317.432 5.904 30 10 DKEE C#C[C@H]1CC[C@@H](N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 2333896671 FIXJFBCYNCRPIC-OUAUKWLOSA-N 316.659 5.099 30 10 DKEE C=C([C@@H](NCC)c1c(Cl)cc(C)cc1Cl)C(F)(F)F 2353057642 WPFQDQDVVMYWGQ-GFCCVEGCSA-N 312.162 5.071 30 10 DKEE C=CCCCSC[C@@H](NC)c1ccc(Cl)c(C)c1Cl 2353122869 ZYNNKNXGYIORRV-CQSZACIVSA-N 318.313 5.262 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(F)cc1Cl 2360201847 QAZNTMKLOXHOGG-WBMJQRKESA-N 315.885 5.218 30 10 DKEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2ccc(Cl)c(C)c21 2362214436 RDRYZGDTRZCGBY-SMDDNHRTSA-N 306.862 5.204 30 10 DKEE C[C@H]1CCCC[C@@]1(C=O)CCCCC(F)(F)C(F)(F)F 2368118042 UEEOOVCWUKZHLC-RYUDHWBXSA-N 300.311 5.140 30 10 DKEE CCCCCCCC[C@@](C)(Nc1ccsc1Cl)C(=O)O 2376337883 VFMFFFVAVJFAJC-OAHLLOKOSA-N 317.882 5.407 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 14551515 HHJMNLKEPZHJIP-ABSDTBQOSA-N 303.405 5.078 30 10 DKEE CC1(C)CCC[C@](C#N)(Nc2ccccc2Br)CC1 86914251 PQBPLDMFPGEXGV-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NC 103938168 ZQNPGUOZYMFIMS-CQSZACIVSA-N 302.289 5.484 30 10 DKEE CCCCCCCCC[C@@H](Cc1nc(C)cs1)NCCC 109742839 XVLMSNACGZUCHI-KRWDZBQOSA-N 310.551 5.503 30 10 DKEE CCCCCCCCC[C@H](Cc1nc(C)cs1)NCCC 109742841 XVLMSNACGZUCHI-QGZVFWFLSA-N 310.551 5.503 30 10 DKEE CC(C)(C)c1c(C#N)oc2c(Br)cc(Cl)cc12 110162393 BLWZXUXHUDMDPM-UHFFFAOYSA-N 312.594 5.018 30 10 DKEE C=C[C@@H](O)c1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1 114257099 PITUINHIXKJYJX-ATYVUACHSA-N 321.807 5.278 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(C)c(Cl)cc1C 115857360 CSKVYSHHEPMFBN-IBGZPJMESA-N 309.925 6.358 30 10 DKEE CCCCCCCCCCCCC[C@@H](O)CC(=O)OCC 137112372 LTSBJVJXSJSRRZ-QGZVFWFLSA-N 300.483 5.002 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1cc(OC)cs1 162351561 QHKMEWWMZWOXLQ-QGZVFWFLSA-N 311.535 5.938 30 10 DKEE CCCCCCCCCC[S@@](=O)c1ccc(N)cc1Cl 165651145 FKJAMEKTGPCZEE-FQEVSTJZSA-N 315.910 5.171 30 10 DKEE N#C[C@@H](Sc1ccc(Br)cc1)C1CCCCC1 167874326 VYDFUOROMDZFBW-CQSZACIVSA-N 310.260 5.014 30 10 DKEE Cc1cc(Oc2ccc(C#N)c(Br)c2)ccc1Cl 228200579 AAJZNTNSTRXXOP-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCCC[C@H](CCCC(F)(F)F)NC 229031826 CIQCWDUNTMRMIW-MRXNPFEDSA-N 309.460 6.228 30 10 DKEE C=CCn1c(S[C@@H](C)CC)nnc1-c1ccc2ccccc2c1 253568326 LBSKOKDRZXCVHU-AWEZNQCLSA-N 323.465 5.175 30 10 DKEE CC1CCC(C#N)([C@@H](C)c2ccc(Br)cc2)CC1 302475249 GQDWYANWEHTWNA-UYJPIKCFSA-N 306.247 5.273 30 10 DKEE Cc1cc(Cl)c(N=C2N[C@](C)(C(C)C)CS2)cc1Cl 398476153 AJXCIMAURWAXIP-AWEZNQCLSA-N 317.285 5.040 30 10 DKEE CCCCCCCCC[C@@H](NCC)[C@@H](C)OCc1ccccc1 404478990 QXHVEDWFQYGONM-TZIWHRDSSA-N 319.533 5.711 30 10 DKEE CC[C@H](C)C[C@](C#N)(CC)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698481942 BMSFHIZUGXRGJZ-MPGHIAIKSA-N 310.482 5.131 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cscc1C(F)F 717242893 ICBKBUHETJZFGD-HNNXBMFYSA-N 301.446 5.863 30 10 DKEE Cc1c(C=Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1C 1084056455 MYISJKLWKCSJGR-UHFFFAOYSA-N 317.219 5.544 30 10 DKEE CCCCCCC[C@](C)(N)Cc1ccccc1Br 1919508145 QNEPEYOGEBLVIT-INIZCTEOSA-N 312.295 5.070 30 10 DKEE Cc1ccc(C(=O)C=C2CCCCC2)c(C)c1Br 2056927667 WJSOLPKSHQARRD-UHFFFAOYSA-N 307.231 5.139 30 10 DKEE CCCCCCCCCCCCN[C@@H](C)CSCCC 2144726336 JAGDQEBNMCYDHI-SFHVURJKSA-N 301.584 6.029 30 10 DKEE CCCCCCCCCCCC[C@@](C)(N)CSCCC 2144748392 ZDDSQOPMGNZBCK-GOSISDBHSA-N 301.584 6.158 30 10 DKEE SCCCCCCCCCN1CCS[C@@H]2CCCC[C@H]21 2170516328 QVLOLGPMRRUUTE-IAGOWNOFSA-N 315.592 5.007 30 10 DKEE CCCCCCCCCC[C@@]1(N)CS[C@H](C(F)(F)F)C1 2189226744 UCTPJYVZYVRTND-KBPBESRZSA-N 311.457 5.283 30 10 DKEE CC#CCCCCC(=O)c1cccc(SC(F)(F)F)c1 2196212547 DLRFDRKTWOPTFG-UHFFFAOYSA-N 300.345 5.065 30 10 DKEE CCCCCCCC[C@@H](C)N[C@H]1CCC=C1Br 2217313847 NCOJPMAERCQHOI-HIFRSBDPSA-N 302.300 5.156 30 10 DKEE C=CCCCCCCCNc1cc(F)c(Cl)cc1Cl 2227275617 NFANETRMRFDQDH-UHFFFAOYSA-N 304.236 6.071 30 10 DKEE C=CCCCCCCC[C@H](O)Cc1cc(Cl)cc(Cl)c1 2235538069 GKRFEXNJVMPAKF-KRWDZBQOSA-N 315.284 5.814 30 10 DKEE CCCCCCCCCOc1nc(Cl)c([C@H](C)NC)s1 2239490207 OWUULQHPPYEYKW-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE C=C1CC([C@H](NCC)c2cc(Br)cc(C(C)C)c2)C1 2265986421 AIOHQEHYRFWPHZ-KRWDZBQOSA-N 322.290 5.189 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1nc(Cl)cs1 2278244065 BBSROEBKTQVRGR-CYBMUJFWSA-N 302.915 5.415 30 10 DKEE CCCCCCCC[C@](C)(OCCN)c1cc(Cl)cs1 2293886065 ZXRWISGEHNWNTP-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=CCC(CC=C)SCc1cc(Br)ccc1F 2298916487 NOBKZHZDVWPRAN-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](CC)c1cccc(Br)c1 2337093278 CMIOZMLOAYCGNF-XYPHTWIQSA-N 322.290 5.235 30 10 DKEE C=CCC(CC=C)S[C@@H](c1ccccc1Cl)[C@H](N)CC 2360198143 CWQXAZIUPGNCNJ-SJORKVTESA-N 309.906 5.372 30 10 DKEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1CN[C@H](C)CC 2360731620 MPDVJNXGYIGRNB-KGLIPLIRSA-N 311.922 5.593 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1cccc(Cl)c1Cl 36954219 UHBIABJHHORORZ-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Sc1ccc(Br)cc1 37156689 YWIXTRBVTQWNAN-RISCZKNCSA-N 310.260 5.014 30 10 DKEE CCCCCCCCCCCCNC(=O)Oc1ccccc1 42964299 VXMFUQFJHWRHDL-UHFFFAOYSA-N 305.462 5.696 30 10 DKEE Cc1cc2nc(-c3cccc(Cl)c3)n(CCCC#N)c2cc1C 57869025 NWQKJSTVJJQYES-UHFFFAOYSA-N 323.827 5.277 30 10 DKEE C=CCC(CC=C)(NC(=O)Nc1ccccc1C)c1ccccc1 59415650 XLXYTBQKKSCNRO-UHFFFAOYSA-N 320.436 5.164 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)ccc2Cl)CCCc2ccccc21 87930135 BEOJHCGDKBXDGE-SFHVURJKSA-N 316.231 5.334 30 10 DKEE CC(C)(C)c1ccc(Sc2ccc(C#N)cc2Cl)cc1 110354165 GNXBYJFPNOXHFO-UHFFFAOYSA-N 301.842 5.660 30 10 DKEE CCCCCCCCC[C@@H](CSC1CCCCC1)NCC 115822061 RBIQJTLEZNEDAW-SFHVURJKSA-N 313.595 6.171 30 10 DKEE CCCCCCCCCCN[C@H]1CCC[C@H](C(F)(F)F)C1 129227288 CWVSURFWEOLKBZ-HOTGVXAUSA-N 307.444 5.838 30 10 DKEE COc1ccc(C#N)c(Sc2ccc(Cl)c(Cl)c2)c1 155518066 KCTUSAQUUFXMFD-UHFFFAOYSA-N 310.205 5.025 30 10 DKEE Cc1ccc(C#N)c(Nc2cc(Cl)cc(C(F)(F)F)c2)c1 169160070 BTGAYXZAECRVBH-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCC[C@@H](CCC)Nc1cc(Br)cc(C#N)c1 226032638 DCCTUWHSTSEWES-CQSZACIVSA-N 309.251 5.092 30 10 DKEE CCC(=O)Nc1ccc(N=Cc2c(Cl)cccc2Cl)cc1 252463171 ZJQBOYXJMMRJFS-UHFFFAOYSA-N 321.207 5.093 30 10 DKEE CCCCCCCC[C@@H](O)Cc1ccsc1Br 388808792 BVTBMMUGULTURW-CYBMUJFWSA-N 319.308 5.165 30 10 DKEE CCC[C@H](Nc1ccc(Br)c(C#N)c1)C1CCCC1 690200642 NMKJDJDJMVKCKY-INIZCTEOSA-N 321.262 5.092 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@H](C#N)CC1CCCCCC1 698836407 AVSAWKFJGDFAIZ-KRWDZBQOSA-N 322.493 5.132 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)CCCC1CC1 720111826 XFSGGGAUWDDCIX-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE N#Cc1ccc(Cl)c(-c2cc(Cl)cc(Cl)c2Cl)c1 1848374598 BDSSPMRMIWQFML-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)Cc2ccco2)C1 1915085951 BLHNGIWPHBRLIG-SLYNCCJLSA-N 322.452 5.000 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccccc1C#N 1915367063 HBTTVASCNZYMNS-MRXNPFEDSA-N 318.445 5.388 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(C)c(Br)o1 1917531718 BRKWGDIFSFFKDP-CYBMUJFWSA-N 314.267 5.138 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1cscc1OCc1ccccc1 1958090283 IVRCMULAIULZSR-HNAYVOBHSA-N 315.482 5.190 30 10 DKEE CCCCCCCCCN(CC)CCCOCc1ccccc1 1990778796 MNLPHFKBGGWTEZ-UHFFFAOYSA-N 319.533 5.666 30 10 DKEE Cc1cc(Br)sc1C(=O)C1=CCC(C)(C)CC1 2010784602 ONYLBWRGZIXQPD-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=C(C)CC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045723410 DLTKZCNUCKYIPS-GFCCVEGCSA-N 306.664 5.654 30 10 DKEE C=C(C[C@@H](NCC)c1ccccc1Br)C(C)(C)C 2050519958 UULKJXLJGWSVLD-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1ccccc1C1CC1 2070168660 HBOBLMLHXINUBY-HNNXBMFYSA-N 304.437 5.009 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2c(C)cc(Cl)cc2Cl)N1 2136370258 IAFPQWMBOFHSMK-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE CCCCCCC[C@H](N)c1ccc(C(F)(F)F)nc1Cl 2154632779 NXGAZWSHSWUGOU-NSHDSACASA-N 308.775 5.114 30 10 DKEE C[C@@](F)(CNc1ccc(SC(F)(F)F)cc1)C(F)(F)F 2191830219 RCOUDVPAQJLFPB-SECBINFHSA-N 321.261 5.001 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1cc2sccc2s1)C1CC1 2196855403 CQWBHHXFKCIGOE-ZIAGYGMSSA-N 303.496 5.053 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(-c2cccs2)s1 2205873773 IMJMDXOHIQQVPM-AWEZNQCLSA-N 307.528 6.227 30 10 DKEE C=C1CC([C@H](NCCC)c2ccc(-c3cccs3)s2)C1 2205947605 IMJDWGNTXDEKSD-KRWDZBQOSA-N 303.496 5.484 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cncc(Br)c1 2223848439 OWNLORWKYRWMHW-CYBMUJFWSA-N 313.283 5.395 30 10 DKEE C=C1CC([C@H](NCCC)c2cc(Cl)cc(F)c2Cl)C1 2231190823 HZDCYGRGURIGMJ-HNNXBMFYSA-N 302.220 5.139 30 10 DKEE CC1(CC(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)CCCC1 2234057149 AJHOOSHJBSMANJ-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)cc(F)c1F 2235538860 LGGGOWNOBFTTSC-HNNXBMFYSA-N 301.808 5.535 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)cc(F)c1F 2240641229 YNZXRKCGNOCTJJ-GFCCVEGCSA-N 303.824 6.169 30 10 DKEE C=C[C@@H](C)C[C@H](NC)c1cc(Br)cc(C(C)C)c1 2254736206 IPICSAKBVLHLOV-WBMJQRKESA-N 310.279 5.045 30 10 DKEE C=C(C)CCCC[S@@](=N)(=O)c1cc(Cl)ccc1Cl 2259175867 IOTZTVWLIWRGPU-GOSISDBHSA-N 306.258 5.145 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(C)cc1Br 2271792014 QZVJWBLYENNVGW-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CN[C@H](CC#CC1CCCC1)c1cc(Cl)c(Cl)cc1C 2289854127 GURANXWZDZAGQG-QGZVFWFLSA-N 310.268 5.146 30 10 DKEE COc1cc(C)c(Cl)c(C)c1C(=O)C=Cc1ccc(C)cc1 2295967933 MRPGABDTGXLJOT-UHFFFAOYSA-N 314.812 5.170 30 10 DKEE CCCOc1ccc(C=CC(=O)c2ccccc2)cc1Cl 2323808987 FGLASUFXEMCXHS-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE CCCCCCCCCCCCN(C)C(=O)Oc1ccccc1 100310809 DECVJUXTCFIVLO-UHFFFAOYSA-N 319.489 6.038 30 10 DKEE CCCCCCCCCC[C@H](CS[C@H](C)CC)NCC 115645953 WXIVCWCSBGBCDD-QZTJIDSGSA-N 301.584 6.027 30 10 DKEE CCCCCCC[C@H](CSc1ccccc1F)NCCC 116676784 NFVPGAOZFYTFGG-MRXNPFEDSA-N 311.510 5.647 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)[C@@H]1CCCCS1 157790767 KTVRGZRTRXOVMR-MOPGFXCFSA-N 313.595 6.171 30 10 DKEE CCCCCCC[Sn+2]CCCCCCC 196626745 ASSMFISPZRPGTM-UHFFFAOYSA-N 317.105 5.468 30 10 DKEE C=CCCCCC[C@H](NC)c1ccc(Br)cc1C 234437326 NEBGGIWTKMEVFQ-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC[C@@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CCCCC1 307886283 ACEDMUSUWIZGRV-MRXNPFEDSA-N 312.240 5.065 30 10 DKEE N#C[C@H](CSc1ccc(Br)cc1)C1CCCCC1 397296063 KDMUBYPFZRFIFM-CYBMUJFWSA-N 324.287 5.261 30 10 DKEE N#Cc1ccc(Nc2cccc(SC(F)F)c2)cc1Cl 690179720 LVRNQDUGQBMHDJ-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CCC[C@](C#N)([C@H]1CC1(C)C)N(C(=O)OC(C)(C)C)[C@H](C)CC 698421474 FJZWAZVSWODHHC-VCBZYWHSSA-N 322.493 5.131 30 10 DKEE C#C[C@H](N[C@@H](c1cccs1)c1ccc(Cl)s1)C(C)(C)C 702282769 QGLJMGQVHRGTMY-ZFWWWQNUSA-N 323.914 5.190 30 10 DKEE CCCCCCCCCCCC(=O)Nc1nc(C(C)C)cs1 1865985986 GMTZMGQCQFPGNA-UHFFFAOYSA-N 324.534 6.126 30 10 DKEE CCCCCCCCNC(=O)c1cn(C(C)C)c2ccccc12 1874052737 NJJNONDIBLNNON-UHFFFAOYSA-N 314.473 5.313 30 10 DKEE O=C(/C=C/c1cccc(O)c1)c1ccc(Oc2ccccc2)cc1 1874717217 FQQNZYCNEBHQAX-NTEUORMPSA-N 316.356 5.081 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(OCc2ccccc2)cc1 1903202814 PWBCLLLOPAEZJL-LEWJYISDSA-N 310.437 5.291 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C[C@@H](C)O 1914967459 XJFUGVULFNMUKB-LJQANCHMSA-N 305.506 5.010 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1sc(C)cc1Br 1978610148 GNNPIBKLKUXHQK-LLVKDONJSA-N 322.699 5.002 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cccc(OCc2ccccc2)c1 1996468172 BMLQXNLDXWDZQN-XMSQKQJNSA-N 323.480 5.519 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(Br)ccc1C 2085849180 IMXHAHXQJXXMMA-MRXNPFEDSA-N 311.263 5.318 30 10 DKEE C=CC1(C[C@H](NC)c2ccc(C)c(Br)c2C)CCC1 2111718279 JHSCRANOVLEJSC-HNNXBMFYSA-N 322.290 5.073 30 10 DKEE C#CCCCCCC[C@H](NCC)c1cccc(Br)c1 2113412523 FNCMWIZGIKKCHK-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(C)c(Br)c1 2123080595 OHRJMKDHWUGBNO-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=C(F)C[C@H](NCC)c1ccc2cc(Br)ccc2c1 2126085727 IRFZBDRIRFNGBG-INIZCTEOSA-N 322.221 5.126 30 10 DKEE C=CCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2139113994 YDDRMKCTMRGYBL-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C=CCCCCCC[S@@](=N)(=O)c1ccc(F)c(Cl)c1 2141922646 IUBZOTPHVINZCO-LJQANCHMSA-N 303.830 5.021 30 10 DKEE C[C@@H]1C[C@@](C#N)(Nc2ccc(Cl)cc2)c2ccsc2S1 2152748371 IZIGYKULGSIOAG-BMIGLBTASA-N 320.870 5.117 30 10 DKEE C=CC1(CN[C@@H](c2ccco2)c2ccc(Cl)s2)CCC1 2168008045 RTZWBVKPMPKUKJ-HNNXBMFYSA-N 307.846 5.030 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc(Cl)ccc2Cl)CC1 2181663988 WAPWYJHFQCPLTC-LBPRGKRZSA-N 311.252 5.949 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(-c3cccs3)cs2)CC1 2181665637 BTCQMNGFBWYOLT-LBPRGKRZSA-N 302.464 5.796 30 10 DKEE CC(C)(C)CC1CC(OCCCCCCCCCS)C1 2188310207 ZGBZGVMORCDCPQ-UHFFFAOYSA-N 300.552 5.878 30 10 DKEE C=CC1(CN[C@H](C)c2ccc(Cl)cc2Cl)CCCCC1 2189519342 VTNKWRQUCNNLSU-CYBMUJFWSA-N 312.284 5.781 30 10 DKEE CCCCCCCCN(C)[C@@H](CN)c1cc(Cl)sc1C 2196740338 BZXLOQKUQRCGKP-HNNXBMFYSA-N 316.942 5.002 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H]1CS[C@H](C)[C@H](C)S1 2207433920 CVVUWMBBLFNSKU-QZWWFDLISA-N 315.592 5.246 30 10 DKEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1ccc(Cl)s1 2240657541 MMFUKZOCDYBNQD-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cscc1C(F)(F)F 2370482716 OMXKIWXKBTVCHD-KGLIPLIRSA-N 305.409 5.410 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2F)C1 37154587 JFFDGWKPCGUGMN-GRDNDAEWSA-N 305.462 5.662 30 10 DKEE Cc1cc2nc(-c3ccc(Cl)cc3)n(C[C@@H](C)C#N)c2cc1C 57801990 AOMXDUKJVZIPAU-LBPRGKRZSA-N 323.827 5.133 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2ccc(OCC(C)C)cc2)c1 83204741 RPKANUDIYALSFD-MDWZMJQESA-N 324.420 5.016 30 10 DKEE SCC1(CN2CCC3(CCCCC3)CC2)CCCCCC1 94579363 POBIWEQCKIKYAG-UHFFFAOYSA-N 309.563 5.303 30 10 DKEE C=C(CC)COc1c(Cl)cc(Cl)cc1CNCC(C)C 97191516 UFMWLZBFTMVRCF-UHFFFAOYSA-N 316.272 5.084 30 10 DKEE CCCCCCCCCOc1ccc(CCC#N)cc1OCC 104742024 WRZJYONWQOLETL-UHFFFAOYSA-N 317.473 5.671 30 10 DKEE CCCCCCC[C@H](Cc1c(Cl)cccc1Cl)NC 109733264 IFBPHLKIHPGGMM-CYBMUJFWSA-N 302.289 5.484 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c2c(c1)OCO2 115832547 FRYNVIDIRGARMZ-OAHLLOKOSA-N 312.837 5.243 30 10 DKEE CCCCCCCCOc1ccc(F)c(Br)c1 137560644 DNXBZINPFALJPD-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1CSc2ccccc21 140319851 NQMYNCFJXVSBIM-MSOLQXFVSA-N 305.531 5.605 30 10 DKEE CCCCCCCCCOc1ccc(Br)c(C)c1 157100027 ZTHADXGWUMORSL-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE CCCCCCCCNc1sc2c(c1C(=O)OCC)CCC2 257663921 XEVKZERXIYKWRF-UHFFFAOYSA-N 323.502 5.186 30 10 DKEE CC1([C@@H](C#N)Nc2ccc(Br)cc2)CCCCCC1 394761083 WHLLNXPBYZVFFY-OAHLLOKOSA-N 321.262 5.114 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)C[C@H](C)CC(C)(C)C1 698381779 XDODTNZKMQAZRY-VCBZYWHSSA-N 322.493 5.131 30 10 DKEE Cc1c(Cl)cc(Nc2ccc(C#N)c(Cl)c2)cc1Cl 709675189 LXHBYHBELNWGEF-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCC1CCC(C=O)(C[C@H](C)COCc2ccccc2)CC1 719592460 MTWZHELLULJAOC-ZJRDLVKKSA-N 302.458 5.015 30 10 DKEE CCCCCCC[C@@H](N)c1c(Cl)sc(Cl)c1Cl 1925567554 WDNCBBLGJHGECP-MRVPVSSYSA-N 314.709 6.069 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(Br)c(Cl)s1 1978550539 RZKYHXQOJIGUDV-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=C1CCC(C[C@@H](N)c2c(Cl)ccc(Cl)c2Cl)CC1 2107804043 MLCYCOGAOXPKIX-CYBMUJFWSA-N 318.675 5.783 30 10 DKEE N#Cc1c(Br)cccc1NC1CCCCCCCC1 2112407598 PHNRYWGTZKDOHH-UHFFFAOYSA-N 321.262 5.236 30 10 DKEE C=CCCCCCCCCOc1cc(Cl)ccc1Cl 2142446266 AWPSGTFNKABTOT-UHFFFAOYSA-N 301.257 6.289 30 10 DKEE CCCC(CS)(CCC)CN1CCC[C@H]1c1ccsc1 2170014010 KLJFMISDYFEKPT-INIZCTEOSA-N 311.560 5.401 30 10 DKEE C=C(Cl)CO[C@@H]1CCCCCCCCCC[C@@H]1NCC 2178552723 YXJZNWNPHZXFTA-DLBZAZTESA-N 301.902 5.017 30 10 DKEE N#CC1(c2cc(Cl)cc(Cl)c2)CC(c2ccccc2)C1 2203962790 SLAGCADHHKMSSZ-UHFFFAOYSA-N 302.204 5.332 30 10 DKEE C=C([C@@H](NCC)c1ccc(-c2cccs2)s1)C(F)(F)F 2205874738 OLSFAHPFZHJCFB-CYBMUJFWSA-N 317.401 5.246 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(-c2cccs2)cs1 2206883468 AZHFFSDOMDVBQW-HNNXBMFYSA-N 305.512 6.003 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@H](C)NCC)cc1C 2217348983 SCIYNBLDNOXXFS-IBGZPJMESA-N 322.496 5.248 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Cl)sc1Cl 2220092337 KIMKWGPOKIWGPR-GFCCVEGCSA-N 307.286 6.005 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)ccc1Cl 2227286795 YIOGWSDHIUXOIU-MRXNPFEDSA-N 300.273 5.910 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)cc(F)c1Cl 2231194194 VBXOVGQSXHXDJF-CQSZACIVSA-N 307.236 5.917 30 10 DKEE O=C(C1=CCCCCC1)c1sc(Cl)cc1Br 2244960997 UYCGDYCQTIHOLN-UHFFFAOYSA-N 319.651 5.237 30 10 DKEE C=CCCCCCOCc1cc(Br)ccc1Cl 2252714684 AOJHWZLMDWAPHE-UHFFFAOYSA-N 317.654 5.366 30 10 DKEE CCCC#C[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265970315 ZOCRKJNPXQVZSN-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE CC[C@@H](C)[C@H]1CSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277454059 JTOJUUAAPJGSRL-AMIZOPFISA-N 317.285 5.040 30 10 DKEE CCCCCCCC[S@](=N)(=O)C[C@H]1CCCCC1(F)F 2283105388 AIGLGVCKORPIPB-VLIAUNLRSA-N 309.466 5.219 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](N)c1cc2sccc2s1 2295507196 RUQOWQZPENZMRJ-JKSUJKDBSA-N 311.516 5.074 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1cc(Br)cc(C(C)C)c1 2338701352 CPGCFKJQALQBFY-QGZVFWFLSA-N 323.274 5.374 30 10 DKEE C=CCC(CC=C)S[C@@H](c1ccc(Cl)cc1)[C@H](N)CC 2360334978 XKQWSAWQIPTUTG-SJORKVTESA-N 309.906 5.372 30 10 DKEE CCc1nc(-c2c(Cl)cccc2Cl)sc1CS 82424626 ZCJXXIYEUMFMAR-UHFFFAOYSA-N 304.267 5.109 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1ccc(OC(C)C)cc1Cl 83193925 HPUGJKCGEBHAMG-VOTSOKGWSA-N 320.841 5.393 30 10 DKEE Cc1nc2c(cc(OCCC(C)(C)C#N)c3ccsc32)s1 87595912 FOAPSNGCZPQKAD-UHFFFAOYSA-N 316.451 5.138 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OC[C@@H](CS)C(C)(C)C 94584391 UEXVOSRZMURPRO-ZDUSSCGKSA-N 314.922 5.743 30 10 DKEE CCCCCCCn1c([C@H](N)CC)nc2cc(C)c(C)cc21 104068455 RDPZNNHDWQICTH-MRXNPFEDSA-N 301.478 5.033 30 10 DKEE CCCCCCCC[C@H](CNCC)Cc1cccc(Cl)c1 110189908 COQWLKZETIWGLU-SFHVURJKSA-N 309.925 5.859 30 10 DKEE N#Cc1cc(Oc2ccc(Cl)c(F)c2)ccc1C(F)(F)F 156270262 VUZVAYSDTPYHSL-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE CCCCCCCC[C@@H](N)c1cccc(OC(F)(F)F)c1 164648314 VXCMQUKKBABHFT-OAHLLOKOSA-N 303.368 5.336 30 10 DKEE Cc1cccc(Cl)c1Nc1cccc(Br)c1C#N 168564425 WKUGDZRRKBHRAZ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@H](NN)c1scc(C)c1Cl 232926876 SGQATDJCYFKMAW-ZDUSSCGKSA-N 302.915 5.355 30 10 DKEE C=CCSc1ccccc1NCc1ccc(Cl)cc1C 235801771 NIGRFZJEXVGMIP-UHFFFAOYSA-N 303.858 5.539 30 10 DKEE N#Cc1ccc(NCc2cc(Cl)sc2Cl)c(Cl)c1 312561603 POIDURFFDPYSGX-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1coc(Br)c1 393558211 GQMYVVQHAGMBFH-CQSZACIVSA-N 314.267 5.219 30 10 DKEE Cc1ccc(Cl)cc1N=C1NC2(CCCCC2)CCS1 687321034 JIGKBBQLRFUJRX-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE CC#CCCCCC[C@@H](NCC)c1cccc(Br)c1 1885237387 QQIAKAIHWGCWDI-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=C(C(C)(C)C)[C@]1(N)CCC(C)(C)C[C@@H]1OCc1ccccc1 1977508263 VEPHDXOPKNIGFP-GHTZIAJQSA-N 315.501 5.082 30 10 DKEE C=CCCCCCC[C@H](O)c1cccc(OCc2ccccc2)c1 2026065302 UAMISIPYNLBQGO-QFIPXVFZSA-N 324.464 5.826 30 10 DKEE Cc1ccc(C(=O)C=Cc2cc(Br)cs2)cc1C 2040458417 WKJBRHOTVYOKRK-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE Cc1ccccc1[C@H](C1CC1)n1nc(C2CCCCC2)cc1C#N 2070098950 DHRACZSQJNSSBU-NRFANRHFSA-N 319.452 5.110 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1csc(Cl)c1 2098235089 YRXOTSAGVPGMGI-OAHLLOKOSA-N 301.927 6.322 30 10 DKEE CCCCCCCCCCNCc1snc(Cl)c1Cl 2110932117 DVEXLMLPQDBOEP-UHFFFAOYSA-N 323.333 5.680 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(C)c(Br)cc1C 2136382566 AJNJTBCUEYMPSJ-SJKOYZFVSA-N 324.306 5.319 30 10 DKEE N#Cc1ccc(Nc2ccccc2SC2CC2)cc1Cl 2158416262 YTENJEPHBABLAZ-UHFFFAOYSA-N 300.814 5.210 30 10 DKEE CCCCCCC[C@@H](NCCC)c1csc(C(F)F)n1 2188750787 NBKWZAGYBRLTPH-GFCCVEGCSA-N 304.450 5.482 30 10 DKEE C=CCCCCCCC[C@H](O)c1csc(Br)c1 2214614329 YCABRJFSWLORHA-ZDUSSCGKSA-N 317.292 5.461 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1cc(Cl)ccc1Cl 2231485253 ZWJOCARLLLDNAD-STQMWFEESA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc2c(s1)CCSC2 2235542386 RRPNVASJUSLWPW-HNNXBMFYSA-N 310.528 5.488 30 10 DKEE C=CC[C@H](C)Oc1c(Cl)cc(Cl)cc1CN[C@H](C)CC 2240227786 JSSHQQZAALFJIN-NEPJUHHUSA-N 316.272 5.225 30 10 DKEE CCCCCCCCC[C@@]1(C)[C@H](N)CCN1Cc1ccccc1 2246060364 ASVZIFXAFXLHSR-RTWAWAEBSA-N 316.533 5.119 30 10 DKEE C=CCC[C@H](C)[C@H](N)c1cc(Br)cc(C(C)C)c1 2254716919 ZARBGWGONWECNY-LRDDRELGSA-N 310.279 5.175 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265968190 YPPAWEIQEHLPJL-KRWDZBQOSA-N 324.306 5.579 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Cl)c(O)c(Cl)c1 2278792460 AZZLXMNRZUFMLB-AWEZNQCLSA-N 302.245 5.225 30 10 DKEE COc1cc(Cl)c(C(=O)C2=CCCCCCC2)cc1Cl 2281572236 MKDUYCHDRRNPJC-UHFFFAOYSA-N 313.224 5.465 30 10 DKEE CCN[C@@H](CC=CC#CC(C)(C)C)c1cc(Cl)sc1C 2284099755 VGDOZBYQABNCPW-HNNXBMFYSA-N 309.906 5.356 30 10 DKEE C=C1C[C@H]1C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366804924 AAFYAIDHLKZQQL-WMLDXEAASA-N 312.284 5.260 30 10 DKEE O=C(CC#CC1CCCCC1)c1cc(F)c(Cl)cc1Cl 2377428016 XLKOUQSPOOLMRX-UHFFFAOYSA-N 313.199 5.289 30 10 DKEE CC(C)(C)c1ccc(/C=C2/CCCc3ccccc3C2=O)cc1 12368770 JSNVHKWGZBKZHS-SDXDJHTJSA-N 304.433 5.587 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Sc1cc(F)ccc1F 35676253 JGFOOKZRDGRKPF-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE Cc1ccc(O)c(/N=C/c2cccc(OCc3ccccc3)c2)c1 59458860 STRZOJLXPZMWSA-HYARGMPZSA-N 317.388 5.030 30 10 DKEE CCCCn1c(Cl)c(C#N)c2cc(Cl)cc(Cl)c21 71466244 NWYWIJRCMLZKCH-UHFFFAOYSA-N 301.604 5.273 30 10 DKEE CC(C)(C)[C@H]1CCC[C@](C#N)(Nc2cccc(Cl)c2)CC1 86959651 HKVBCRQYOGOQSC-KSSFIOAISA-N 304.865 5.641 30 10 DKEE CN(CCCCCCCCCS)Cc1ccc(Cl)s1 97799323 YGHNEPNVGGZXLL-UHFFFAOYSA-N 319.967 5.494 30 10 DKEE C/C=C/C/N=C(\c1cc(Cl)ccc1O)c1ccccc1Cl 100154645 JJTLNJVHENYAPQ-WRGIFXRDSA-N 320.219 5.113 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)ccc1Cl 115062660 NZWBGEXDZCIDJT-MRXNPFEDSA-N 302.289 6.134 30 10 DKEE CCCCCCCC[C@H](NCC)c1c(Cl)cnn1C(C)C 127013849 DWPOKBBDONMRSY-INIZCTEOSA-N 313.917 5.519 30 10 DKEE CCCCCCCCCCNc1nc2cc(F)ccc2s1 129445851 AWDDFYPDGMXNAI-UHFFFAOYSA-N 308.466 5.988 30 10 DKEE CCCCCCC[C@H](NCC)[C@@H]1CCC[C@H](C(F)(F)F)C1 139669341 CQTSWSUYQLVVEW-PMPSAXMXSA-N 307.444 5.694 30 10 DKEE C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]23C)C1 169424204 MXYATHGRPJZBNA-PPLKHSGQSA-N 302.458 5.206 30 10 DKEE endogenous,in-man CCCCCC[C@H](C)Oc1ccc(C#N)cc1Br 213231945 KVERGIWOUMCEDC-LBPRGKRZSA-N 310.235 5.058 30 10 DKEE CCCCCCCC[C@H](N)Cc1ccsc1Br 389011252 PGFGKARECVEGOV-ZDUSSCGKSA-N 318.324 5.131 30 10 DKEE CC1(C)CCCCC[C@@]1(C#N)Nc1cccc(Br)c1 719209369 XXTMUSOBWZUDPK-INIZCTEOSA-N 321.262 5.114 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(Cl)cc1Cl 1892439153 LQPQASQGIKQYON-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE CCCCCCCC[C@@]1(O)CCCCN(Cc2ccccc2)C1 1980546689 SKNLCSQPNDJILS-OAQYLSRUSA-N 317.517 5.154 30 10 DKEE C=CCCCC[C@@H](O)c1cccc(C)c1NC(=O)OC(C)(C)C 1984561613 RCJXOKBIHDBDCX-MRXNPFEDSA-N 319.445 5.122 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cccc(Cl)c2Br)CC1 2010610357 WEMPONWSDJTBAU-SECBINFHSA-N 313.622 5.032 30 10 DKEE CCCC[C@@](C=O)(CC)[C@H](C)c1ccc(Br)cc1 2045986362 GCIKWJSSGJRPGF-CZUORRHYSA-N 311.263 5.338 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](CC)c1ccc(Cl)cc1Cl 2096547205 UYIJQXADEXSWOF-LRDDRELGSA-N 300.273 5.779 30 10 DKEE C=CCCCCCC[C@](C)(N)c1c(Cl)cccc1Cl 2141912503 YYLKTQQMGPSQNZ-INIZCTEOSA-N 300.273 5.694 30 10 DKEE C=C([C@@H](N)c1ccc(-c2cccc(Cl)c2)s1)[Si](C)(C)C 2164002889 ISPYTNPOCRSDAQ-MRXNPFEDSA-N 321.949 5.502 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(C(F)(F)F)cc1Cl 2179250526 UNMLHXLVWNUQRO-CQSZACIVSA-N 305.771 5.495 30 10 DKEE C=CCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2179681664 MUPWJPUBNOYKDX-HNNXBMFYSA-N 314.300 5.651 30 10 DKEE CC#CCCC[C@H](Cc1c(Cl)cccc1Cl)NCCC 2194065202 FYVLGFSEWXRKEU-CQSZACIVSA-N 312.284 5.098 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1cc(Cl)ccc1Cl 2240620009 OJCRQQIQBNONKX-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE C=CCCCCC[C@H](O)c1sc(Cl)cc1Br 2244959570 MBDMIFYBIILCBJ-JTQLQIEISA-N 323.683 5.334 30 10 DKEE N#Cc1sccc1CN(Cc1ccccc1)CC1CCCCC1 2245888049 YFRAIFVUUNWBCV-UHFFFAOYSA-N 324.493 5.202 30 10 DKEE C=CCCCCCCCSc1ccc(CCN)cc1Cl 2287083903 MIUKTKHTMANQTP-UHFFFAOYSA-N 311.922 5.460 30 10 DKEE CCCCCCCC[C@@H](OCC(=O)O)c1ccc(Cl)s1 2291579111 MWQXRVIXHLLKGW-GFCCVEGCSA-N 318.866 5.294 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NC)c1c(Cl)ccc(F)c1Cl 2335103953 SWKFBCUAJNKOSG-BXKDBHETSA-N 322.276 5.091 30 10 DKEE CSc1cc(Nc2ccc(Cl)cc2Cl)ccc1C#N 2353832881 WOTKYJSVNLRDSD-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(C(F)(F)F)cc1Cl 2364001654 KSYZCNUASWXRME-UHFFFAOYSA-N 302.723 5.310 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2366409395 UTPJOYZCUBSYLS-MRXNPFEDSA-N 316.247 5.552 30 10 DKEE O=C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)C[C@H]2CC[C@H]1C2 2366847692 DFOYMBDELYLNAY-GRDNDAEWSA-N 311.252 5.321 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2370488525 XGCGGPSGXVNHJF-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE O=[N+]([O-])c1ccccc1N/N=C1\CCCC[C@@H]1C1CCCCC1 33687707 OOWUMIPCSCAJMD-ZBQKJFDRSA-N 315.417 5.133 30 10 DKEE N#Cc1cc(NC2CC(c3cccc(Cl)c3)C2)ccc1Cl 36973424 NVYZPROVRNICLA-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(C)C)cc1 83205117 FGAZTKWJSWCRNX-FMIVXFBMSA-N 324.420 5.077 30 10 DKEE CCCCCCCCCCCCCCCC(=O)OC[C@H](C)O 100306016 FAQKRSYDADCZGK-SFHVURJKSA-N 314.510 5.392 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2ccc(C(F)(F)F)cc2)cc1C 103030764 LKPILFUJSCUPNT-KTKRTIGZSA-N 319.326 5.131 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(-c2nccs2)cc1 109900581 DFKBMAZDAAEWII-OAHLLOKOSA-N 302.487 5.971 30 10 DKEE CCCCCCCCCCCCN(CC)C[C@@H](C)C(N)=S 110270928 UBKAPVOUXBGRHE-QGZVFWFLSA-N 314.583 5.151 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(C)c(C)cc1Cl 125490375 IVJSGPCSEZQQEF-LJQANCHMSA-N 309.925 6.358 30 10 DKEE CCCCCCCCCCN[C@@H]1CCC[C@H](C(F)(F)F)C1 129227081 CWVSURFWEOLKBZ-JKSUJKDBSA-N 307.444 5.838 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccc(SC)cc1 158982240 JHRQYGHUFZMCDB-LJQANCHMSA-N 307.547 6.200 30 10 DKEE CCCC1CCC(Nc2cccc(SCC)c2C#N)CC1 167586141 CVTUTUXHLOJIPH-UHFFFAOYSA-N 302.487 5.441 30 10 DKEE N#Cc1cc(Br)cc(Sc2cccc(Cl)c2)c1 227638776 POKVTDJRVWZYIY-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1CCC[C@@H](C(F)(F)F)C1 232311055 AAFWMOBQIZLDGT-OAGGEKHMSA-N 307.444 5.823 30 10 DKEE CC(C)CCCCCCNc1ccc(C#N)cc1Br 232541737 QLSZWODHDPQALT-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE CCCCCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 257625083 RKAHRFOTEXFDHF-UHFFFAOYSA-N 318.339 5.386 30 10 DKEE C=CCC(C)(C)CN[C@H](c1ccco1)c1ccc(Cl)s1 394243290 PZGPXWSOOCYKLM-OAHLLOKOSA-N 309.862 5.276 30 10 DKEE Cc1cc(C#N)ccc1CNc1cc(Cl)c(C)c(Cl)c1 690311485 QFWHOJVMBBQLLQ-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CC1(C)CCCCC[C@H]1Nc1cc(Br)cc(C#N)c1 718964569 BUMVWOWAUAYMCH-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CC(C)Cc1ccc(C#Cc2c(Cl)cccc2Cl)cc1 725414691 GHZLZRKRNWFYAV-UHFFFAOYSA-N 303.232 5.592 30 10 DKEE CCc1ccc(N=Cc2cccn2-c2ccc(Cl)cc2)cc1 1084147049 NIRGBHJDTYMFRB-UHFFFAOYSA-N 308.812 5.444 30 10 DKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C#N)CC1CCCCCC1 1901061908 XKPUDMNDXFSLQI-IBGZPJMESA-N 320.477 5.030 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)c1cc(Cl)ccc1C#N 1931998181 IEPNYNYEHLUSQK-OAHLLOKOSA-N 312.844 5.263 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)c1ccc(C#N)cc1Cl 1931998682 OIEDNOBCJRQBBJ-HNNXBMFYSA-N 312.844 5.263 30 10 DKEE C[C@H]1CC=C(C(=O)C2CC3(CC(OCc4ccccc4)C3)C2)CC1 2010606960 WWNQGDIBLCMCNM-JWIWNDOOSA-N 324.464 5.078 30 10 DKEE C=CCCCCCCN[C@H](C)c1cscc1Br 2013602630 UEPALLGNEHVMAV-GFCCVEGCSA-N 316.308 5.298 30 10 DKEE C(#Cc1ccccc1)CN(Cc1ccccc1)CC1CCCCC1 2019196687 RDPXUBRZSIGANK-UHFFFAOYSA-N 317.476 5.121 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)s1 2085855517 BMPIHGNSUMTFBH-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc(Br)co1 2086258304 CAULVDZVSIOGSY-AWEZNQCLSA-N 314.267 5.349 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2116657673 HLEPMJWJAPLTRW-WFASDCNBSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCCC(=O)[C@H](O)c1ccc(Cl)s1 2147035900 APRHJLNNJWCFTC-INIZCTEOSA-N 316.894 5.535 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc2cscc2s1 2147285174 UWUWKTAARMFTQN-INIZCTEOSA-N 310.484 5.316 30 10 DKEE CCC1(OCc2ccc(Cl)cc2Cl)CCC(=NO)CC1 2161474891 XMQAJFJSWOMDCD-UHFFFAOYSA-N 316.228 5.063 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Cl)c(F)cc1F 2179365877 UUBIECUXIQNVCU-BZNIZROVSA-N 301.808 5.261 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cscc2Br)C1 2214595281 HQPSHMKLXYEPGK-BXUZGUMPSA-N 312.276 5.163 30 10 DKEE C=C1CCC(CNc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC1 2234273464 TUVFYZDYXFKQMZ-UHFFFAOYSA-N 315.200 5.060 30 10 DKEE C=CCCCCCCC[C@H](N)c1ncc(C(F)(F)F)s1 2235535981 RXOFGPJCCQHOBH-NSHDSACASA-N 306.397 5.078 30 10 DKEE C=CCCCCCCCC(=O)c1cc(F)c(F)cc1Cl 2235541187 FNJBDZOUYPYJJD-UHFFFAOYSA-N 300.776 5.718 30 10 DKEE N#CC1(CCCC(F)(F)C(F)(F)F)CCC(F)(F)CC1 2240432730 VZJQGLWLAONXGE-UHFFFAOYSA-N 305.237 5.074 30 10 DKEE CC=C(CC)C(=O)c1c(Cl)cc(Br)cc1Cl 2243538184 IXLFXILNISMKNY-UHFFFAOYSA-N 322.029 5.295 30 10 DKEE N#Cc1ccc(SC[C@@H]2CCCCC2(F)F)c(Cl)c1 2267995001 FCFSGNGRQDGUKZ-NSHDSACASA-N 301.789 5.129 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@H](N)c1cscc1Cl 2295676273 JGXPVUVXBLQLKO-HZPDHXFCSA-N 317.926 5.293 30 10 DKEE CC=C(CC)C(=O)c1c(C)c(C)c(Br)c(C)c1C 2322456644 VJEUHOMKSDEGMX-UHFFFAOYSA-N 309.247 5.222 30 10 DKEE C=CC1(NCc2cc(F)c(Cl)cc2Cl)CCCCC1 2349798124 JPDXSXNKYILHSI-UHFFFAOYSA-N 302.220 5.111 30 10 DKEE C=CC[C@@H]1CCC[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 2362236383 PJXQQOUFGYJQGM-NOZJJQNGSA-N 315.200 5.058 30 10 DKEE CCCCCCC[C@H](C)NCc1cc(Cl)c(O)c(Cl)c1 2365588714 NCJVMCSRXVVKRD-LBPRGKRZSA-N 318.288 5.538 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccccc2)C1 37154329 HOVMEOIHYLVTKJ-RCCFBDPRSA-N 301.499 5.664 30 10 DKEE SCCCCCCCCCSc1ccccc1Cl 97800079 NBNQWJQBTQOGJT-UHFFFAOYSA-N 302.936 6.093 30 10 DKEE CCCCCCCCCCCCNc1cccc(Cl)c1C 110154821 IVSYQHYVYZANQD-UHFFFAOYSA-N 309.925 6.981 30 10 DKEE CCCCCCCCCCCC[C@H](CS[C@H](C)CC)NN 126619855 RDLRZPIKMKALAV-QZTJIDSGSA-N 316.599 5.661 30 10 DKEE CCCCCCCCCC[C@H](N)c1cnc2ccsc2c1 163644564 LUWNIEQOIQDCIR-INIZCTEOSA-N 304.503 5.827 30 10 DKEE Clc1ccc(O/C(=N/c2ccccc2)c2ccccc2)cc1 196587579 OHSJDOIJGRKCOU-XUTLUUPISA-N 307.780 5.497 30 10 DKEE CC(C/C(=N/C1CCCCC1)C1CCCCC1)=C1CCCCC1 256685745 JGQCEJYXDLULBF-FCQUAONHSA-N 315.545 7.011 30 10 DKEE C=CCCCCCCNCc1sc2ccccc2c1Cl 383675381 VBJIWHDQBGDWQQ-UHFFFAOYSA-N 307.890 5.781 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1c(C)cccc1Br 386688319 ZMKBXNYGALAOMJ-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCC[C@H](COCc1ccccc1)NCCC 395540462 WHZSIFOUJRSXBB-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE C=CCCSCCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 692301384 RRKZKFCYHRNYMO-JTQLQIEISA-N 322.276 5.092 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1cc2cscc2s1 693961074 WSKHDQWAPANUCS-GFCCVEGCSA-N 304.827 5.293 30 10 DKEE Cc1cccc([C@H](C#N)N(C(=O)OC(C)(C)C)c2ccccc2)c1 698478055 MDOJZCSWSIWVHV-SFHVURJKSA-N 322.408 5.001 30 10 DKEE CCCCCCCC[C@@H](O)C[C@H](C)COCc1ccccc1 719444733 YHLBVYRIKBOHNV-AZUAARDMSA-N 306.490 5.341 30 10 DKEE C=CC[C@H](O)[C@]12C=CC[C@@H]1[C@@H]1CC[C@@H]3CCCC[C@H]3[C@H]1CC2 1082166372 FTAJQPVAFOWCFP-IVECGHKRSA-N 300.486 5.112 30 10 DKEE Cc1ccc(C=Nc2ccc(Br)c(Cl)c2)s1 1084365329 UMONNLLHRHAVBO-UHFFFAOYSA-N 314.635 5.223 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cc(Cl)ccc1Cl 1892439901 ZJTCXRCZUYQJKG-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE C[C@@H](c1cccs1)N(CCCCCC#N)Cc1ccccc1 1915396825 LORAVHMEJKFHKF-KRWDZBQOSA-N 312.482 5.395 30 10 DKEE N#Cc1cc(F)ccc1N(Cc1ccccc1)CC1CCCCC1 1946760823 VITFYMMRXFDAEK-UHFFFAOYSA-N 322.427 5.284 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Br)s1)C(C)(C)C 1947454876 STQUBJGWGLQJOW-CYBMUJFWSA-N 316.308 5.154 30 10 DKEE C=CCCCC[C@@H](NC)c1ccccc1NC(=O)OC(C)(C)C 1984514502 BXMCSYJTQFANNE-MRXNPFEDSA-N 318.461 5.041 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCCC12CC2 1985665145 NXCNSHMQJYRMPT-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)CC(C)(C)C 1990793228 DOCDRBJSIZNUPW-UHFFFAOYSA-N 317.561 6.675 30 10 DKEE C=CCCCCCCC(=O)c1ccsc1Br 1995168424 CUTMEIWEVUJTGO-UHFFFAOYSA-N 301.249 5.220 30 10 DKEE CCCC[C@](C)(C#N)Cc1ccc(Cl)c(Br)c1 2001857869 XMTQTZIEVFXMSB-AWEZNQCLSA-N 314.654 5.365 30 10 DKEE C=CCCCCCCCCNc1csnc1Br 2026310691 STYCUOOSUVVUMK-UHFFFAOYSA-N 317.296 5.234 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2102110159 DMQMPSRAUYOXIS-WBMJQRKESA-N 300.273 5.636 30 10 DKEE CCC1(C)CCC(Nc2ccc(Br)cc2C#N)CC1 2114867545 IIMWSZIKWQLFSK-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CCCCC[C@H](NCCC)c1c(C)cccc1Br 2123088535 KGRORHIDKRFNBM-INIZCTEOSA-N 324.306 5.545 30 10 DKEE C=CCCCC[C@@H](O)c1ccc2cc(Br)ccc2c1 2123117986 PFRHSHNSRRAFPG-QGZVFWFLSA-N 319.242 5.382 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2141924689 WXTNANXVRXYEHK-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE CCCCC[C@@H](CC)OCc1ccc(Br)cc1C#N 2142462014 POEIKMJXIHLYSW-MRXNPFEDSA-N 324.262 5.196 30 10 DKEE C=CC1(C[C@H](Cc2ccc(Cl)c(Cl)c2)NCC)CCC1 2168022051 CRQSBAOAYCCGGE-AWEZNQCLSA-N 312.284 5.260 30 10 DKEE N#C[C@]1(Cc2cccc(Cl)c2Cl)CCCCC12CCC2 2173617958 FYENFRXTYQCEBC-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE C=CCCCCC[C@H](O)c1cccc(SC(F)(F)F)c1 2196512365 HMPFECMQZRJYRU-AWEZNQCLSA-N 304.377 5.468 30 10 DKEE CCc1ccc(C#N)c(Nc2ccc(Cl)c(Cl)c2F)c1 2197914280 ARJZEBJFQRQECD-UHFFFAOYSA-N 309.171 5.310 30 10 DKEE Cc1cc(Cl)cc(Cl)c1N[C@@H](C)c1ccc(C#N)cc1 2201074373 RIXSKKUCHNBOQM-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CCC[C@H](C)C(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C 2211852064 ZMYDWTBHSNOOCB-AWEZNQCLSA-N 317.429 5.127 30 10 DKEE CCCCCCCCCOCc1csc(Br)n1 2216929741 XRQJAGGQODWWOA-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE CCCCCCCNc1ccc(Br)c(F)c1F 2217064289 BZJJVRDUULMWHQ-UHFFFAOYSA-N 306.194 5.110 30 10 DKEE C=C(C)CC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2225665336 CVVJMMDSXVLLRL-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE C=CCCCCC(=O)c1cc(Br)cc(C(C)C)c1 2254767199 YXYUBFHWJIKXOV-UHFFFAOYSA-N 309.247 5.502 30 10 DKEE CCCCCCCNCc1cc(Cl)c(OC)cc1Cl 2266842141 YSDUHIYMJNXLFY-UHFFFAOYSA-N 304.261 5.062 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](SC[C@@H]2CCCCC2(F)F)C1 2283105926 CDNFSECKSHVAPG-KBXIAJHMSA-N 301.446 5.264 30 10 DKEE C=CCCCCCCCSc1cc(C=O)sc1[N+](=O)[O-] 2287077883 YFKKOZGGPCZYEJ-UHFFFAOYSA-N 313.444 5.088 30 10 DKEE CCCCCCCCCCCOc1cc(Cl)sc1CO 2288253866 BBMRTNJEPDKOEU-UHFFFAOYSA-N 318.910 5.803 30 10 DKEE CCCCCCC[C@H](OCCC(=O)O)c1ccc(Cl)s1 2291901851 CCMKDQPUFKCEKR-LBPRGKRZSA-N 318.866 5.294 30 10 DKEE CCCCCCCCC[C@@H](NN)c1sc(Cl)cc1OC 2295715607 YBWZWYKJYXJHBO-GFCCVEGCSA-N 318.914 5.055 30 10 DKEE [N-]=[N+]=Nc1ccccc1C=C1CCCc2cc3ccccc3nc21 2297507882 DELDUOQXMNLGRE-UHFFFAOYSA-N 312.376 6.054 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(Cl)cc1Br 2301014834 IFYNATCGLBROPN-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1SCc1cccc(Br)c1 2318732892 VXTMEZVIRXJNPY-ZFWWWQNUSA-N 324.287 5.155 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1cc(Cl)cc(Cl)c1Cl 2321107145 DIBUFBFFCLFWSQ-ZDUSSCGKSA-N 306.664 5.510 30 10 DKEE Cc1c(C)c(C2=CC(=O)C[C@@H](C)C2)c(C)c(C)c1Br 2346263612 DJZKRGYRHBDSRB-VIFPVBQESA-N 321.258 5.065 30 10 DKEE CC[C@@H]1CC[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2349797449 PVOFNIVKRCITFV-MEBBXXQBSA-N 300.204 5.395 30 10 DKEE C=C1CC([C@@H](NCCC)c2cc(F)c(Cl)c(Cl)c2)C1 2352386955 QBFBDABNBYLSPH-OAHLLOKOSA-N 302.220 5.139 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)c(F)cc1CNC(C)(C)C 2362428672 XWSCLSALBNBBSZ-LLVKDONJSA-N 315.885 5.424 30 10 DKEE Cc1c(C[C@@](C)(C=O)c2ccccc2)ccc(Cl)c1Cl 2364265819 PJSXEAANQRBLRK-KRWDZBQOSA-N 307.220 5.001 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2370483415 TYLNSUTUAWSICL-IAGOWNOFSA-N 314.300 5.506 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2370526941 YPINQNNJJDRTNX-IAGOWNOFSA-N 314.300 5.945 30 10 DKEE N#C[C@]1(Cc2cc(F)c(Cl)cc2Cl)CCCC12CCC2 2377394327 INFDZVYSFVNMGP-MRXNPFEDSA-N 312.215 5.539 30 10 DKEE CSc1ccc([C@@H](C)Nc2ccc(C#N)c(Cl)c2)cc1 37393173 KRNGLWSXYXKWDI-LLVKDONJSA-N 302.830 5.107 30 10 DKEE CC[C@H](C)Oc1cccc(-c2cc(C#N)c(C(F)(F)F)o2)c1 77086225 CILHCSIGDPZDIX-JTQLQIEISA-N 309.287 5.014 30 10 DKEE Cc1oc(C)c(-c2sc(C#N)c(N)c2-c2cccs2)c1C 87202691 GORMOBRBKJEOQB-UHFFFAOYSA-N 314.435 5.116 30 10 DKEE CCC[C@H](CS)COc1c(Cl)cc(Cl)cc1Cl 94582301 XWSVCTUMVBWKGX-QMMMGPOBSA-N 313.677 5.372 30 10 DKEE CCCCCCC[C@H](NCCC)c1csc2ccccc12 110216285 FUIPGZLCHYMZKW-SFHVURJKSA-N 303.515 6.303 30 10 DKEE N#Cc1ccc(Nc2ccccc2SC(F)F)c(Cl)c1 110252032 ZTJLCKNIFZUKBA-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CCCCCCCCCCCc1nc(-c2cccs2)n[nH]1 115858689 LAKWGJBCLJNWTM-UHFFFAOYSA-N 305.491 5.607 30 10 DKEE CCCCCCCC[N+](CCC)(CCC)Cc1ccccc1 136845002 YLCMJTBKNBDBAO-UHFFFAOYSA-N 304.542 6.184 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCCC1)c1ccc(Cl)cc1Cl 162026844 KANYUVVUWPXTMD-OAHLLOKOSA-N 324.251 5.530 30 10 DKEE CSc1ccc([C@@H](C)Nc2ccc(C#N)cc2Cl)cc1 235078176 SWPHEGMUUBBUCL-LLVKDONJSA-N 302.830 5.107 30 10 DKEE Brc1cccc(C=Nc2cccc3c2CCCC3)c1 254404211 UDIOENPJHKKBCK-UHFFFAOYSA-N 314.226 5.079 30 10 DKEE CCCCCCC[C@@H](N)c1cccc(OCc2ccccc2)c1 303759875 CFQFWDUXGBCFOT-OAQYLSRUSA-N 311.469 5.626 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 312227253 IOYNEXDHGWURFZ-MRXNPFEDSA-N 312.284 5.474 30 10 DKEE C[C@H](c1ccc(Br)cc1)C1(C=O)CCCCCC1 316765417 OHXCJIIDBLWMAW-CYBMUJFWSA-N 309.247 5.092 30 10 DKEE CCCCCCCCOCc1ccsc1Br 388999661 OOAGGSVRDHGJSL-UHFFFAOYSA-N 305.281 5.388 30 10 DKEE CCCCCOc1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1 1614823739 QNPAIIBKQISLFI-UHFFFAOYSA-N 320.476 5.953 30 10 DKEE Cc1cnc(-c2cc(Cl)c(Cl)cc2Cl)cc1CC#N 1848359985 IAXRIMSKVONZTH-UHFFFAOYSA-N 311.599 5.083 30 10 DKEE CCCCCC#CC[C@H](N)c1cccc(OCc2ccccc2)c1 2024369984 KZUMLJPRUVYDKZ-QFIPXVFZSA-N 321.464 5.239 30 10 DKEE CCCCCC#CCC(=O)c1ccc(OCc2ccccc2)cc1 2024418619 LVLXMVVPEJGYCQ-UHFFFAOYSA-N 320.432 5.422 30 10 DKEE C=CCC[C@@H](C)C[C@@H](NCC)c1ccc(Br)cc1 2050513505 PNPUYKCHODHVAL-CZUORRHYSA-N 310.279 5.092 30 10 DKEE Cc1cc(C)c([C@@H](C)n2nc(C3CCCCC3)cc2C#N)cc1C 2070085636 PKGBCIXZNNGKOD-QGZVFWFLSA-N 321.468 5.337 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(C)c(Br)c(C)c1 2141912867 CLSXHBRYPZLWFI-INIZCTEOSA-N 324.306 5.592 30 10 DKEE C=CCCCCCC[C@]1(O)CCc2cc(Br)ccc21 2141915350 AKYRQDNAYPNZBJ-KRWDZBQOSA-N 323.274 5.110 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2cccc(Cl)c2Cl)C1 2168548995 SOYHRKKZKBTIGZ-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 2181672803 ZYMHSUUJWCUEAW-ZDUSSCGKSA-N 311.252 5.488 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cccc(SC(F)(F)F)c1 2182512948 PMDLUKJADWDCKS-CYBMUJFWSA-N 307.356 5.213 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Cl)cc(F)c1Cl 2231189553 SMKFZMZGNOGNMQ-QMTHXVAHSA-N 304.236 5.385 30 10 DKEE C=CCCCOc1c(Cl)cc(Cl)cc1CN[C@H](C)CC 2240216570 USAXWBQSMXVPFT-GFCCVEGCSA-N 316.272 5.227 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ncc(C(F)(F)F)s1 2240619380 GFCOYILNNKUMKE-CYBMUJFWSA-N 309.397 5.120 30 10 DKEE C=CCCCCCCCSc1c(Cl)cccc1CNC 2287070039 DGFOIJDNYOBHNS-UHFFFAOYSA-N 311.922 5.678 30 10 DKEE CC(C)Oc1cccc(C=CC(=O)c2ccc(Cl)cc2)c1 2295967858 DHFWLYHQLHINIE-UHFFFAOYSA-N 300.785 5.023 30 10 DKEE CSc1ccc(C)cc1C(=O)C=Cc1ccc(Cl)cc1 2295968019 UMUQXSIWKRDMRU-UHFFFAOYSA-N 302.826 5.266 30 10 DKEE CC(=O)C=Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 2296515184 GCIHZQMIDKGSQV-UHFFFAOYSA-N 315.583 5.509 30 10 DKEE C=CCC(CC=C)C(=O)c1cc(Cl)ccc1Br 2301019532 NBZRVZPPAJELPM-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE Cc1ccc(NN=Cc2ccc(OC(C)C)c(Cl)c2)cc1C 2322922492 COLNNTIDUHUWDH-UHFFFAOYSA-N 316.832 5.190 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1ccc(C)c(C)c1 2330451507 BHIRHQLWVCUDEL-UHFFFAOYSA-N 303.405 5.397 30 10 DKEE CCCCCCC[C@@H](N)Cc1cc(F)c(Cl)cc1Cl 2349876354 QXXBEPKQDSEXIG-GFCCVEGCSA-N 306.252 5.363 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2349892258 ZENWUBFLLQDSFV-OAHLLOKOSA-N 306.252 5.754 30 10 DKEE N#C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCCC12CC2 2366909970 ONDJBEVJPURAML-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE C(=N\C(/N=C/c1cccs1)c1cccs1)\c1cccs1 335138 JFBOACJJWSHXAS-VRNBXGKJSA-N 316.476 5.108 30 10 DKEE C=C(C1CCCCC1)N(Cc1ccccc1)C(=O)OC(C)(C)C 34575081 OYKYLSNPGMIFCQ-UHFFFAOYSA-N 315.457 5.518 30 10 DKEE CC[C@@H](Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 36954502 LFSONBCMWUCNLS-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE CCC(CC)c1nc2cc(Cl)c(Cl)cc2n1CCCC#N 57869283 QIVKUTREQUGZLY-UHFFFAOYSA-N 324.255 5.550 30 10 DKEE CCc1nc(-c2ccc(Cl)cc2Cl)sc1CS 82424538 WUTSWVIDGZXHGA-UHFFFAOYSA-N 304.267 5.109 30 10 DKEE CCCCCCCCCCCCNc1ccc(SC)cc1 110155543 LOALJQQJQMVSPZ-UHFFFAOYSA-N 307.547 6.741 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H](C)c2cccc(Cl)c2)C1 110265551 VRGWNYUDHWRVFQ-JSSFPYSZSA-N 304.865 5.051 30 10 DKEE CCCCCCCCCCC[C@H](N)c1ccc(Cl)s1 115062576 BDRDDDAXIZBEEN-AWEZNQCLSA-N 301.927 6.322 30 10 DKEE CCCCCCCCCCCC[C@@H](CCC(F)(F)F)NN 128545959 QSYVDKNJOLOISN-HNNXBMFYSA-N 310.448 5.472 30 10 DKEE CC[C@H]1CCC[C@H](Nc2ccc(Br)cc2C#N)CC1 132276898 KDYBPNZXHKCUTI-WFASDCNBSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@H](C)Nc1c(F)c(F)c(F)c(F)c1F 158855154 GPOGOJGEMRTHJK-VIFPVBQESA-N 309.322 5.543 30 10 DKEE CCC(N=Nc1ccccc1)=NNc1nc2ccccc2s1 254499507 MWVUHBFZCCQUOT-UHFFFAOYSA-N 309.398 5.216 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)C2CC2)C1 384360479 LZWYAIYILLIWPH-NLWGTHIKSA-N 310.485 5.006 30 10 DKEE N#Cc1ccc(C(F)(F)F)cc1-c1cccc(C(F)(F)F)c1 1848368233 YWFWXLABCILMNX-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C=C(COCc1ccccc1)[C@@]1(O)CCC[C@@H](C(C)(C)C)CC1 1922116126 NNTAPBMWEHSHOB-TZIWHRDSSA-N 316.485 5.117 30 10 DKEE CCCCCCCNCc1c(Cl)cccc1Br 1946073804 APQXKMGAZSETDA-UHFFFAOYSA-N 318.686 5.163 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(C)sc1Br 1951015937 GSNFTBKFPLASIY-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cccc(F)c1C(F)(F)F 1981415730 IEAXJVRVTAURNC-UHFFFAOYSA-N 323.333 5.427 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)ccc2Br)CCC12CCC2 2047956564 PRDGIDQBJGFZTP-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE CCCCCCC[C@@H](NCC)c1sc(Cl)nc1Cl 2075809965 CREFKZIJYUTYOZ-SNVBAGLBSA-N 309.306 5.461 30 10 DKEE CC(C)(C)[C@@H](CS)COCc1cc(Cl)cc(Cl)c1 2077254792 LICSFHQYWNRINA-LLVKDONJSA-N 307.286 5.102 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc(Cl)cs1 2102389524 DCSUDLIBGBMSSV-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(C)c(Br)c1C 2108002263 CMPLISDCAHNMCZ-INIZCTEOSA-N 324.306 5.463 30 10 DKEE N#C[C@]1(Cc2snc(Cl)c2Cl)CCCCC12CCC2 2117000299 GYENPJYQDVICMM-CQSZACIVSA-N 315.269 5.247 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1cc(Cl)sc1Cl 2141924219 ZQPHCVVNIZRYLB-ZDUSSCGKSA-N 321.269 5.184 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1cc(Cl)ccc1Cl 2149864840 OJSPYEONJFEHLF-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Cl)c(Cl)c2)CC1 2157121811 YUYLSAKXEJXTQQ-QGZVFWFLSA-N 310.268 6.036 30 10 DKEE C=C([C@@H](N)c1ccc(-c2cccc(Cl)c2)s1)C(F)(F)F 2163999072 MZPQQCKPVLMCOC-CYBMUJFWSA-N 317.763 5.187 30 10 DKEE N#C[C@]1(Cc2c(Cl)cccc2Cl)CCCCC12CCC2 2173620394 XPMTWFWTOKRZLD-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE CCCCCCCCCCNCc1cc(C(F)F)cs1 2177429615 PLGKZAMMJLTAGQ-UHFFFAOYSA-N 303.462 5.916 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1cc(Cl)cc(Cl)c1)C1CC1 2196846697 BOFLWZCNWGCVGS-GUYCJALGSA-N 310.268 5.084 30 10 DKEE CCCCCCCCCC(=O)Nc1ccc(Cl)nc1Cl 2198295892 VKIFUXVDRIWKEL-UHFFFAOYSA-N 317.260 5.468 30 10 DKEE CCCCCCC[C@](C)(O)c1c(OC)ccc(Cl)c1F 2207326962 VXGPWXUFCIOHHY-INIZCTEOSA-N 302.817 5.056 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(F)c(Cl)c1F 2235518293 FGLISIOXZMYPCI-CQSZACIVSA-N 301.808 5.535 30 10 DKEE C=CCCCCCCC[C@@H](O)Cc1cccc(Cl)c1Cl 2235749680 MNGFFKWYRXHFDK-OAHLLOKOSA-N 315.284 5.814 30 10 DKEE C[C@@H](Nc1cccc(F)c1C#N)c1cc(Cl)cc(Cl)c1 2237999274 XCDOEBPBRYYCJP-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=CCC[C@@H](C)[C@@H](N)c1cc(Br)cc(C(C)C)c1 2254716920 ZARBGWGONWECNY-MLGOLLRUSA-N 310.279 5.175 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281534977 BADOPEYDFBBURL-IAQYHMDHSA-N 314.256 5.009 30 10 DKEE CC(C)(C)c1ccc(CON=C(c2ccc(O)cc2)C2CC2)cc1 2330377175 PKQZSRVINFDGKA-UHFFFAOYSA-N 323.436 5.021 30 10 DKEE Cc1cc(OC[C@](C)(CS)C(C)(C)C)cc(C)c1Cl 2352096975 ZEPXCRGLDGMXAC-MRXNPFEDSA-N 300.895 5.318 30 10 DKEE Cc1cc(NCc2ccc(Cl)c(Cl)c2C)ccc1C#N 2364506201 PBLUSNNPQNXJME-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CCCCCCC[C@H](O)CCc1cc(Cl)cc(Cl)c1 2366871001 YOJJLRCNCLARFW-KRWDZBQOSA-N 315.284 5.814 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cc(C(F)(F)F)ccc1Cl 2370608219 RZMTZSUNQYTCTH-KGLIPLIRSA-N 306.755 5.385 30 10 DKEE Cc1ccc(C(=O)/C=C\S/C=C\C(=O)c2ccc(C)cc2)cc1 32141542 XNRWHKNTDVFOBH-XSYHWHKQSA-N 322.429 5.130 30 10 DKEE CCc1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccccc1C 71465161 LYFXMEAVOGNZPF-UHFFFAOYSA-N 308.812 5.086 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426857 BBBWJFHIPUJUJO-YRGRVCCFSA-N 308.878 5.182 30 10 DKEE COc1ccc(C(=O)/C=C/c2sccc2C)c2ccccc12 83204494 HJJLSARSKVHPKZ-CSKARUKUSA-N 308.402 5.114 30 10 DKEE CCCCCCCCNCc1ccc(CSC(F)F)o1 105838061 CSJILCYBWBFBDG-UHFFFAOYSA-N 305.434 5.186 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)c1cccc(Cl)c1C#N 110258475 XXWRBOMSITYCPY-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCC1CCC(Nc2cc(Br)ccc2C#N)CC1 123175851 DDMPGBUVFXWCQO-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H]1CSc2ccccc21 140320348 NQMYNCFJXVSBIM-ZWKOTPCHSA-N 305.531 5.605 30 10 DKEE C=CCSc1ccccc1N[C@H](C)Cc1ccc(F)cc1 157251299 NXSWDVQDHAKGJQ-CQSZACIVSA-N 301.430 5.147 30 10 DKEE Cc1cccc(C#N)c1Nc1ccc(OCc2ccccc2)cc1 310144487 BNYRRMNAQHWPKI-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CCCCCCCC[C@H](Cc1csc(Cl)c1)NCCC 378996349 NODNXAGGEXWFRT-MRXNPFEDSA-N 315.954 6.063 30 10 DKEE N#Cc1cc(-c2cc(Cl)c(Cl)c(Cl)c2)cnc1Cl 514260887 YQZDDGMHECESDZ-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712325080 FBSCHWCGTQBIOR-SFHVURJKSA-N 308.466 5.029 30 10 DKEE C=C1CCC(C[C@H](NCCC)[C@H](C)OCc2ccccc2)CC1 724616566 MPSZUCGSPASJCX-RXVVDRJESA-N 315.501 5.096 30 10 DKEE CC[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871421504 PUQXEIUWMNJXHG-SKVMLSBPSA-N 320.388 5.036 30 10 DKEE C=C[C@@H](C1CCC1)n1c(S)nc2ccc(Cl)c(Cl)c21 1892963395 RLYKDDJBCNRSQM-NSHDSACASA-N 313.253 5.159 30 10 DKEE C=CCC(CC=C)Oc1cccc(Br)c1Cl 1900974566 WYPDOJHUCKZSIZ-UHFFFAOYSA-N 301.611 5.002 30 10 DKEE CCCCCCC[C@](C)(N)Cc1cccc(Br)c1 1919506657 DCMOEUCSBWNFQV-INIZCTEOSA-N 312.295 5.070 30 10 DKEE CC(C)N(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 1935518856 CASXQTAUPAUNDS-XUVXKRRUSA-N 312.501 5.252 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 1951300447 AMGBLZXMRBTAOL-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE C=C(C(C)(C)C)[C@@]1(N)CCC(C)(C)C[C@@H]1OCc1ccccc1 1977508265 VEPHDXOPKNIGFP-RXVVDRJESA-N 315.501 5.082 30 10 DKEE CC1(C)CC[C@H]([C@H](C#N)c2ccc(Br)cc2F)C1 2085289602 CWSMPOAEJJJHJD-GWCFXTLKSA-N 310.210 5.022 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2cccc(C)c2Br)C1 2087878763 BNTQTBAVSJLSFI-RHSMWYFYSA-N 323.274 5.086 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCCCC1(C)C 2117022214 CZOUDGGBKILUOZ-QGZVFWFLSA-N 320.274 5.410 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1cc2sccc2s1 2140589521 LSUJGZRTIFMJNU-LLVKDONJSA-N 304.827 5.293 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(Cl)cc1Cl 2141913260 GMCXCAUCJGTXHK-INIZCTEOSA-N 300.273 5.781 30 10 DKEE C=CCCCCCCCCNc1cc(Cl)ccc1Cl 2142445879 KPBVKVPKZLRCPS-UHFFFAOYSA-N 300.273 6.322 30 10 DKEE CCC[C@@H](C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)C 2144871683 BNHJMLSHEJYMSO-CHWSQXEVSA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](NCC)c1csc(Cl)c1 2154437216 TZIQLHGFNISNKW-CVEARBPZSA-N 317.926 5.164 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)ccc2Cl)CCCCC12CCC2 2173618335 INUHMTFXBWKVGY-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE N#Cc1cc(F)c(Nc2cc(F)c(F)cc2Cl)cc1Cl 2177388591 BORZBYNLPKNXKC-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE CCCCCCCCCC(=O)c1cc(F)c(Cl)c(F)c1 2201618167 XWWRYRZVJHSMML-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE C=CCCCCCCCN(CCCCOC)Cc1ccccc1 2211146557 RFIDNURBNQEPDG-UHFFFAOYSA-N 317.517 5.442 30 10 DKEE C=CC[C@H](C)OC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2238019563 YHWRWSAXGZFVST-LRDDRELGSA-N 316.272 5.015 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cocc1Br 2258147415 XVAOARSWGSDSPG-OAHLLOKOSA-N 315.251 5.382 30 10 DKEE Cc1cc(Cl)c(Cl)cc1Nc1cccc(Cl)c1C#N 2266777850 QDKBRJBPLIATSZ-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=CCCCCCCCS[C@H](c1sccc1C)[C@@H](C)N 2287096098 HHIPYJKJBGVXOY-WBVHZDCISA-N 311.560 5.705 30 10 DKEE CC(C)Sc1ccc(C(=O)C=Cc2ccc(F)cc2)cc1 2295967875 GDFVALJNUDLOJI-UHFFFAOYSA-N 300.398 5.222 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(C)cc1Br 2338745423 WQYUQBXJNGXYCC-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE COc1c(Cl)cc(CCC=CC#CC(C)(C)C)cc1Cl 2365662033 PEOFJZLRXJDGQI-UHFFFAOYSA-N 311.252 5.540 30 10 DKEE C=C(C)C[C@H](CCCCC(F)(F)C(F)(F)F)NCCC 2368097130 CPINDQCUYOAJEJ-LBPRGKRZSA-N 301.343 5.079 30 10 DKEE C=CCOc1ccccc1-c1nc2cc(C(C)(C)C)ccc2o1 22641866 HELQJTXXEZWSDW-UHFFFAOYSA-N 307.393 5.357 30 10 DKEE CCc1ccc(-c2c(C)sc3nc(C(C)C)c(CC#N)n23)cc1 36256489 FGYFRMLRNBZWIY-UHFFFAOYSA-N 323.465 5.123 30 10 DKEE CCCc1c(-c2cc3c(s2)CCCCC3)sc(C#N)c1N 93074480 OVPFAALRUGKLGS-UHFFFAOYSA-N 316.495 5.152 30 10 DKEE CCCCCCC[C@@H](NCCC)c1csc2ccccc12 110216288 FUIPGZLCHYMZKW-GOSISDBHSA-N 303.515 6.303 30 10 DKEE CCCCCCCCCCCCSc1ccc(C)cc1N 110324228 KMTVKRUVJGXSMU-UHFFFAOYSA-N 307.547 6.590 30 10 DKEE CCCCCCCCC[C@@H](N)c1sccc1Br 128362353 KVIUZBGMSGRAAX-CYBMUJFWSA-N 318.324 5.651 30 10 DKEE CCCCCCCNc1cc(Cl)c(C)cc1Br 131694340 FHMNYFZXAYFXEX-UHFFFAOYSA-N 318.686 5.793 30 10 DKEE CCCCCCCCCCCCCCC=C(C(=O)O)C(=O)O 141161104 SHJCGCHPUSLKQU-UHFFFAOYSA-N 312.450 5.173 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc2c(s1)CCC2 157963397 NBNSKSNQFZUAQT-KRWDZBQOSA-N 307.547 6.028 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCc2ccc(Cl)cc2)C1 165995335 BDWAOVGOBGMGHU-BFYDXBDKSA-N 321.917 5.928 30 10 DKEE C=CCCCCCCCCCN(C)c1cc(C)nc2ccccc12 196430317 QYOUWWFSOXKEKG-UHFFFAOYSA-N 324.512 6.286 30 10 DKEE N#Cc1ccc(Nc2nc3cccc(Cl)c3s2)c(Cl)c1 236033189 ZDVKSIXJJROQCG-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE Cc1cc([C@@H](CC#N)C2CC2)cc(F)c1OCc1ccccc1 260369787 DAXMUOHUMANAJO-SFHVURJKSA-N 309.384 5.120 30 10 DKEE CC[C@H](C)c1ccccc1OCCCB1OC(C)(C)C(C)(C)O1 310126174 WTGZPUJIRVGXNE-HNNXBMFYSA-N 318.266 5.061 30 10 DKEE CCCCCCCCCCCC[C@@H](O)C1CCSCC1 389941488 GALZRIQEDUBOLJ-GOSISDBHSA-N 300.552 5.802 30 10 DKEE CCC(C#N)(CC)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698853881 VMINRUZCBWCEBJ-UHFFFAOYSA-N 322.836 5.164 30 10 DKEE CCCCCCCCCCCC[C@@H](O)C[C@H]1CCSC1 708786603 MPVHKUZGCBZFHM-QZTJIDSGSA-N 300.552 5.802 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(OCc2ccccc2)cc1 710604572 TVEUJIPGQXKKPN-IBGZPJMESA-N 315.844 5.059 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccc(C(F)(F)F)s1 717980806 INAHZHCJJXMIQB-CQSZACIVSA-N 307.425 5.691 30 10 DKEE Clc1cccc(N=C2N[C@H](C3CCCCC3)CCS2)c1 725116499 VWVUYAVOYAGWQZ-HNNXBMFYSA-N 308.878 5.003 30 10 DKEE C=CCn1c(-c2ccc(F)cc2)csc1=Nc1ccc(C)cc1 1772725353 BCKWBWQGFMKKLZ-UHFFFAOYSA-N 324.424 5.083 30 10 DKEE CCCCCCCCCCCC(=O)N(CC)Cc1ccccc1 1866332275 MSFIOPRQFSFLPG-UHFFFAOYSA-N 317.517 5.956 30 10 DKEE CCCCCCCCNC(=O)/C(C)=C/c1ccccc1Cl 1868187095 MZCFLYSJFIDELH-CCEZHUSRSA-N 307.865 5.220 30 10 DKEE CCCCCCCC[C@@]1(O)C[C@H](CC)N(Cc2ccccc2)C1 1919667573 XZQJWBNKGIKPEF-LEWJYISDSA-N 317.517 5.153 30 10 DKEE C=C1CCC(CC(=O)c2cc(Br)sc2C)CC1 1946700431 CPGUTAXAZHMLFV-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CCCCCCC(=O)c1c(C)sc(C)c1Br 1948481108 SNJHMSAWPWMRBB-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE CC[C@@](C#N)(Cc1cccc(Br)c1Cl)C(C)C 2012416867 OEFKACTWILHCPI-AWEZNQCLSA-N 314.654 5.221 30 10 DKEE CCCCCCC[C@@H](NCC)c1snc(Cl)c1Cl 2048325438 ZKYLTNHQCIJPED-SNVBAGLBSA-N 309.306 5.461 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1ccc(Cl)cc1Cl)NCC 2102110937 JPDLNJKGZXTOTR-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@H](NC)c1csc(C(F)(F)F)n1 2144135376 WGGJDFVDVGFUSD-NSHDSACASA-N 308.413 5.173 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@](C)(O)c2ccc(Cl)s2)CC1 2157114723 XQCILZGUZGUZOP-HOTGVXAUSA-N 311.878 5.109 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1ccc(SC(F)(F)F)cc1 2164258500 VJJNZXDLSPVNEM-FZMZJTMJSA-N 303.393 5.161 30 10 DKEE SCCCCCCCCCN1CC[C@@H](c2cccs2)C1 2179853232 FQHQRSMTFIDMRN-MRXNPFEDSA-N 311.560 5.198 30 10 DKEE C=CCCCCCCCCC[C@H](N)C[C@@H](C)P(C)(C)=O 2207402100 IMUTUUXOZSOBST-SJORKVTESA-N 301.455 5.412 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](NCC)c1csc(Cl)c1 2207443847 DUDAQSSKJFLGAG-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE C=CCCCCCCCC(=O)C1CC(OCc2ccccc2)C1 2211146400 PKVDYGGYAGCXEB-UHFFFAOYSA-N 314.469 5.468 30 10 DKEE C=CCCCCCCCC(=O)c1ccn(Cc2ccccc2)n1 2211147291 XOMPYLBSNPNKGT-UHFFFAOYSA-N 310.441 5.031 30 10 DKEE C=CCCCCCCC[C@H](N)c1cccc(Cl)c1Cl 2227284696 IKTXDEHFMKINAB-HNNXBMFYSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCC[C@@H](O)Cc1ccc(Cl)cc1Cl 2235523174 BZKYRKBKPVEHDW-MRXNPFEDSA-N 315.284 5.814 30 10 DKEE SCCCCCCCSc1ccc(Cl)cc1Cl 2252652915 HUOUXVOEWKRMOS-UHFFFAOYSA-N 309.327 5.966 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1cc(Cl)sc1Cl 2276146710 BAXXFHRXVIHSPF-GFCCVEGCSA-N 322.301 5.208 30 10 DKEE O=C1C(=Cc2ccccc2C(F)(F)F)Sc2ccccc21 2295157397 ZQYTTXKMVYDQAC-UHFFFAOYSA-N 306.308 5.035 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1ncc(C(F)F)s1 2295583119 LNVVMXZANFHWRB-OAHLLOKOSA-N 304.450 5.395 30 10 DKEE CCCCCCCCC[C@](C)(O)C(=O)c1cscc1Cl 2295597635 XZZYMNKOTMOMDG-INIZCTEOSA-N 316.894 5.476 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2344374433 IBZIVXCKLXSAIY-JKSUJKDBSA-N 300.273 5.555 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(OC)c(Cl)s1 2365820903 GAFZBSYPNIVIRT-ZDUSSCGKSA-N 316.894 5.750 30 10 DKEE CCCCC[C@@H]1CC[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)C1 5170719 SFJNPWUINCHGCX-JPYJTQIMSA-N 317.476 6.689 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2nc(C)cs2)C1 37155762 JSQXCXFHKVOSTF-HZSPNIEDSA-N 308.516 5.288 30 10 DKEE CCCCCCC[C@H](C)Nc1cccc(OC(F)(F)F)c1 59089997 QCBMRMHVWKYEEW-ZDUSSCGKSA-N 303.368 5.746 30 10 DKEE Cc1nc2c(cc(OCC(C)(C)CS)c3ccsc32)s1 94582492 SGRBNFVPQASKKE-UHFFFAOYSA-N 323.508 5.154 30 10 DKEE CCCCCCCCCCCCCCCCNCCCCO 100042740 ZLRSMJMEMQXJDX-UHFFFAOYSA-N 313.570 5.830 30 10 DKEE CCCCCc1ccc(C(=O)/C=C\c2ccc3c(c2)OCO3)cc1 104166190 NCSAKHPROIGTBH-WQLSENKSSA-N 322.404 5.044 30 10 DKEE CCCCCCC[C@H](NCC)c1cccc(Br)c1 112891386 CLMIFUYZTJOGIF-INIZCTEOSA-N 312.295 5.460 30 10 DKEE CCCCCCCCCCCCN[C@H](CC)c1nccs1 112979875 RVIALSUFQIGFMS-QGZVFWFLSA-N 310.551 6.105 30 10 DKEE CCCCCCCCCC[C@H](CSC1CCCC1)NCC 115646741 AXYIHOYKUIZULR-GOSISDBHSA-N 313.595 6.171 30 10 DKEE CCCCCCCCCCNc1cc(Cl)ccc1[N+](=O)[O-] 122612572 UAVWSVZWRFVOAI-UHFFFAOYSA-N 312.841 5.801 30 10 DKEE CCCCCCCCCCn1c(N)nc2ccc(Cl)cc21 122747443 ZHKVWWZAJWQIKC-UHFFFAOYSA-N 307.869 5.413 30 10 DKEE CCCCCCCCCC(=O)c1cc2cccc(Cl)c2o1 127030350 MACPQOHKPUJJAJ-UHFFFAOYSA-N 306.833 6.410 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(N)c(C#N)c1 127715908 XONPKSPADMPDBU-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE CC(C)(C)C1CCC(CNc2cc(C#N)ccc2Cl)CC1 129937419 CEWLZVXBDDYABX-UHFFFAOYSA-N 304.865 5.476 30 10 DKEE CCCCCCCCCCC(=O)[C@H]1Cc2ccccc2S1 135629824 LTXUAHOJSQZXMY-LJQANCHMSA-N 304.499 5.803 30 10 DKEE CCSc1cccc(NCC[C@@H]2CCC[C@H](C)C2)c1C#N 136670280 FQAVKPPVCJRURT-GJZGRUSLSA-N 302.487 5.299 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccc(C)c(Cl)c1 157946457 BPUYDJIFXHVJBJ-LJQANCHMSA-N 309.925 6.440 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(F)cc1Br 158198022 GXPMQGWLVCUWAG-OAHLLOKOSA-N 316.258 5.209 30 10 DKEE C(=C\c1ccccc1)\C(/C=C/c1ccccc1)=NNc1ccccc1 219755618 ADLATSFXARVWCP-ROCBOIEYSA-N 324.427 5.881 30 10 DKEE CCCCCCCCOc1cc(C(F)(F)F)cc(Cl)n1 225783857 QTGOYCFLFKYCFT-UHFFFAOYSA-N 309.759 5.493 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C)cc(C)c2)c1 243121675 JHYBTWUSRNXNEP-UHFFFAOYSA-N 322.452 5.393 30 10 DKEE CC[C@H](C[C@H]1O[C@@H]1C)c1ccc(OCc2ccccc2)cc1C 251094852 PQSHHHWWCMIZBG-HGHGUNKESA-N 310.437 5.245 30 10 DKEE CC(C)=CC(=O)C[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 405989163 MFIXEDSWBKZDOT-CQSZACIVSA-N 317.429 5.063 30 10 DKEE C[C@@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1)C(C)(C)C 698381352 KLLGRTNOVKYHCT-HOCLYGCPSA-N 322.493 5.131 30 10 DKEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1c(Cl)cccc1Cl 718626309 LKQCXUYHFHIRJP-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 821218827 BDALPANQDISCHV-ZBJSNUHESA-N 313.416 5.454 30 10 DKEE N#Cc1c(Cl)cccc1-c1cc(Cl)c(Cl)cc1Cl 1848359984 IAWUWFBIDJIQDR-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2cc(C)ccc2C)c1 1874595741 BDCPURYBBKSIJD-ZHACJKMWSA-N 306.405 5.154 30 10 DKEE C=C(C)CC[C@@H](N)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925655966 JCGWFAKKXDTNRC-MRXNPFEDSA-N 318.461 5.007 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@H](C#N)CC1CCC1 1936276080 SVCMSKHEQSVPOY-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE C=C(COCc1ccccc1)[C@@](C)(N)C1CCC(CCC)CC1 1980256265 RXTHYTYALAJVCV-DQVLVPHSSA-N 315.501 5.083 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)[C@H](C)C(C)C 1995318623 GDCMQLQICCMIJD-OAQYLSRUSA-N 315.545 6.450 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2scc(C)c2Br)CC1 2010763848 LNIPCNQSHKOWCW-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE CCCCCCC[C@@H](O)COc1ccc(Cl)cc1Cl 2096134675 TUDUIQKVSOSROQ-CYBMUJFWSA-N 305.245 5.094 30 10 DKEE CCCCCCCCCC[C@H](N)c1scc(Cl)c1Cl 2096220542 HHLHOYMNAVSUFE-ZDUSSCGKSA-N 322.345 6.586 30 10 DKEE C=C([C@@H](Cc1ccc(Cl)cc1Cl)NCC)C(C)(C)C 2096621791 QGZLBHCNIWLPEH-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cc(Cl)c(Cl)s2)CCC1 2111720937 SRTWHSRSFNPJKK-GFCCVEGCSA-N 318.313 5.842 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@H](O)c2cscc2Cl)CC1 2146171116 SZDHUXFIEFHUPG-OFWKBQFLSA-N 311.878 5.181 30 10 DKEE C=C1CCC(N[C@H](c2cccs2)c2ccc(Cl)s2)CC1 2157442620 HDBDJDGMWPIXQN-MRXNPFEDSA-N 323.914 5.641 30 10 DKEE C#CCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2173490992 NDZJZDNJDKNCLZ-INIZCTEOSA-N 312.284 5.098 30 10 DKEE C=CCCCC[C@@H](NC)c1cccc(SC(F)(F)F)c1 2179675917 BBRCABOFXBXUKW-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=CCN(Cc1sc2ccccc2c1Cl)CC(F)(F)F 2195823007 GKGSTTFCZTVYHF-UHFFFAOYSA-N 319.779 5.105 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2234033184 CBDBUYSAXFQEOS-CXAGYDPISA-N 314.300 5.506 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCC2(C(F)(F)F)CC2)C1 2281275624 HXIIWBFTNBCSIC-UPJWGTAASA-N 305.409 5.171 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(Cl)c(OC)cc1Cl 2281522393 IQBXYQANXCGPDZ-ZBEGNZNMSA-N 316.272 5.255 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1cc(Cl)cc(Cl)c1 2293884004 GWBMVWZGXLQIBF-INIZCTEOSA-N 316.272 5.146 30 10 DKEE C=CCC(CC=C)SCc1cc(F)ccc1Br 2298918826 ZELFUFOQJGDHPL-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE CCC(=NOCc1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1 2330263434 VLUFGEBCHBGWPJ-UHFFFAOYSA-N 320.436 5.187 30 10 DKEE C=CCC1(NCc2cc(F)c(Cl)cc2Cl)CCCC1 2349798635 MNMCKJLGPATUOD-UHFFFAOYSA-N 302.220 5.111 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCCC)c1ccc(F)cc1Cl 2360201844 QAZNTMKLOXHOGG-BLLLJJGKSA-N 315.885 5.218 30 10 DKEE C=CCC(CC=C)Sc1sc(CNC(C)(C)C)cc1C 2360373254 COPHKLZOGIAYAJ-UHFFFAOYSA-N 309.544 5.558 30 10 DKEE C=CCC(CC=C)Sc1sc(CNC2CCC2)cc1C 2360374446 JCYNHYQBVLAMSY-UHFFFAOYSA-N 307.528 5.312 30 10 DKEE C=CCCCCCC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2366871002 YOJJLRCNCLARFW-QGZVFWFLSA-N 315.284 5.814 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(Cl)ccc(Cl)c1OC 2370540355 NENAEFOPXYICPT-JKSUJKDBSA-N 316.272 5.255 30 10 DKEE C=C(C)C(=O)Oc1ccc(/N=N/c2ccccc2)c2ccccc12 3898082 MJFNQWZEBBNBMV-QURGRASLSA-N 316.360 5.737 30 10 DKEE C=C[C@@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]2CC1 16889874 MHVJRKBZMUDEEV-LWASTNQWSA-N 302.458 5.206 30 10 DKEE CC[C@@H](Nc1ccccc1C#N)c1ccc(Cl)cc1Cl 35624995 RYUAIJCBFVGGRT-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 37345275 UUXHOYJXKLFHLJ-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE C=CCCC[C@@H](NCCC)c1cccc(C(F)(F)F)c1F 94601403 PLFVIGJDMQDHDZ-CQSZACIVSA-N 303.343 5.242 30 10 DKEE CCCCCCCOc1ccc([C@H](C)NCCCCCC)cc1 100048094 FOUXEUSZUDQELP-IBGZPJMESA-N 319.533 6.267 30 10 DKEE N#Cc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1Cl 104249046 GZXPFHAGUCPOMK-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccc(F)cc1 109350806 BGEDUIVAKCECJV-UHFFFAOYSA-N 307.453 5.363 30 10 DKEE CCCCCCCCC(=O)c1cc(C)ccc1Br 164744881 LRRQWNPDWJYRSW-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(C)c(Br)c1 168362591 KAEBTBWOYCDOAP-INIZCTEOSA-N 313.279 5.542 30 10 DKEE CCCCCCCNC(=O)N(c1ccccc1)c1ccccc1 230509160 WBTOJSPEHOJXOG-UHFFFAOYSA-N 310.441 5.505 30 10 DKEE CCCCCCCCCCCC(=NO)c1ccc(OC)cc1O 254507875 PHRGSELPTKNBMF-UHFFFAOYSA-N 321.461 5.500 30 10 DKEE CCCCCCCCc1ccc(N=Cc2ccccc2O)cc1 254824343 BFSGFSNZSFJPCV-UHFFFAOYSA-N 309.453 6.046 30 10 DKEE C=CCCCCCCNc1ncc(Cl)cc1Br 310437341 UVVYJKHPBNUHRU-UHFFFAOYSA-N 317.658 5.046 30 10 DKEE CCCCCCCCCNc1ccc(C#N)c(Br)c1 382408024 YBBOCFQDGWGTQT-UHFFFAOYSA-N 323.278 5.483 30 10 DKEE C=CC(C)(C)CN[C@H](c1cccs1)c1ccc(Cl)s1 384860381 ODVSKNWVYOVHRD-CQSZACIVSA-N 311.903 5.354 30 10 DKEE C=CCCCCC[C@H](O)c1c(Cl)cccc1C(F)(F)F 712620765 XDBMDDBWBYIDGP-ZDUSSCGKSA-N 306.755 5.529 30 10 DKEE C=C1CCC(C[C@@H](CSc2ccc(Cl)cc2)NC)CC1 724590568 XNOSWKZGHUVRCH-INIZCTEOSA-N 309.906 5.157 30 10 DKEE N#CCc1ccc(Cl)c2sc(SC(F)(F)F)cc12 725286075 BNAADWFFGXGFQF-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE CCCCCCCCCCCCCCCNC(=O)C(C)=NO 1084070861 YSDLICRCIZNSMI-UHFFFAOYSA-N 312.498 5.044 30 10 DKEE C=CCOc1ccccc1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874586989 PASWNPNWTKBRBU-VAWYXSNFSA-N 320.432 5.381 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(OCc2ccccc2)c1 1903201406 NAGFSDXHWMPWER-LEWJYISDSA-N 310.437 5.291 30 10 DKEE C[C@@](O)(CC#CC1CCCCC1)c1cc(Cl)sc1Cl 1919884841 BJPUHXHPNLBQCX-OAHLLOKOSA-N 317.281 5.236 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NC)c1ccccc1C(C)(C)C 1922092129 PVKFXZAELZNGJQ-OAQYLSRUSA-N 323.480 5.018 30 10 DKEE CCCCCCCC[C@H](N)c1scc(Br)c1C 1922982578 GTOFAXFQFKFIEH-ZDUSSCGKSA-N 318.324 5.569 30 10 DKEE C#Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1F 2049392490 UFCGWONABPNVHN-UHFFFAOYSA-N 302.348 5.053 30 10 DKEE O=C1C(=Cc2ccccc2Cl)CCc2c1[nH]c1ccccc21 2053535913 DALXSXCSROZEHO-UHFFFAOYSA-N 307.780 5.034 30 10 DKEE CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cccs1 2059099536 WOYAEBYMYFVQQK-UHFFFAOYSA-N 319.644 5.544 30 10 DKEE C=C1C[C@H]2CC(Nc3cccc(F)c3Br)C[C@@H](C1)C2 2089777398 PJAGINNAZAHYQF-FUNVUKJBSA-N 324.237 5.135 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(C)c(Br)c1C 2108011923 MGWNGPFFVJOLBK-DYVFJYSZSA-N 324.306 5.319 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2116655490 GEFHHVYASRYSQB-OCCSQVGLSA-N 300.273 5.116 30 10 DKEE C=CCCCCCC[C@H](Cc1ccccc1Br)NC 2141914663 TXCVKRSHZTYWAE-MRXNPFEDSA-N 324.306 5.106 30 10 DKEE C=C1CC(CCc2cc(Cl)cc(Cl)c2)(CNC(C)C)C1 2159588283 UNTLKFLMYCHFRC-UHFFFAOYSA-N 312.284 5.260 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)C[C@H](C)C(F)(F)F 2177937963 XDHSKCCAXOURIM-RYUDHWBXSA-N 303.393 5.354 30 10 DKEE C=CCCCC[C@H](COc1ccc(Cl)cc1Cl)NCC 2179680658 UJEBRBWASNWVNW-CQSZACIVSA-N 316.272 5.097 30 10 DKEE CC#CCCC[C@H](NCC)c1cc(-c2cccs2)cs1 2194059308 NQIIQZWEHKSSRF-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE C=CC1(C[C@@H](O)c2cc(Cl)cc(C(F)(F)F)c2)CCC1 2200839040 HQUAOZSCIKNQLA-CYBMUJFWSA-N 304.739 5.139 30 10 DKEE CCC1(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)CCCC1 2234053773 MPAMYDQVWKMWKF-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE C=C[C@H](CCCCC)OC[C@@H](N)c1cc(Cl)ccc1Cl 2239510557 NVLDKDYGCJFBRY-CZUORRHYSA-N 316.272 5.145 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)ncc1Cl 2239550976 RAEFJEPORXOIHU-UHFFFAOYSA-N 319.276 5.693 30 10 DKEE CCC[C@@H](CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 2244770854 FFEIOIGLUSWDAQ-NVXWUHKLSA-N 322.493 5.275 30 10 DKEE CCCCCCC[C@@](C)(N)c1c(F)ccc(OC)c1Cl 2286692023 CISYVYWMGZBDBC-MRXNPFEDSA-N 301.833 5.022 30 10 DKEE CCCCCCCC[C@@H](O)c1c(F)ccc(OC)c1Cl 2286698123 DIFXJTYIQDJEPO-CYBMUJFWSA-N 302.817 5.272 30 10 DKEE C=C(C)CCCC[C@@H](Cc1c(Cl)cccc1Cl)NCC 2287414078 NHAOTVJEIGFORB-AWEZNQCLSA-N 314.300 5.651 30 10 DKEE CN[C@H](C#CC1CCCCC1)c1cc2sc(C)cc2s1 2289786803 MFESTXUMJJYSEI-CQSZACIVSA-N 303.496 5.115 30 10 DKEE Cc1c(OC(C)C)ccc(C(=O)C=Cc2cccs2)c1C 2295967862 DPVXIPCURXMOPK-UHFFFAOYSA-N 300.423 5.048 30 10 DKEE O=C(C=Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl 2295967887 HDJJRKJPNQKVBT-UHFFFAOYSA-N 316.187 5.371 30 10 DKEE O=C(C=CSc1nc(-c2ccccc2)cs1)c1ccccc1 2297451311 CNAXULBUFBIAFJ-UHFFFAOYSA-N 323.442 5.299 30 10 DKEE N#CC[C@H]1CCC[C@@H](c2c(Cl)ccc(Cl)c2Cl)O1 2317110814 ISJGVIWXFYROHX-KCJUWKMLSA-N 304.604 5.171 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1c(Cl)cc(F)cc1Cl 2344356603 MZQLUCJCDMCIBV-HUUCEWRRSA-N 304.236 5.385 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(F)c(Cl)c(Cl)c1 2352385967 BPOMQKBAXCQCAO-AWEZNQCLSA-N 304.236 5.385 30 10 DKEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2cc(F)c(Cl)cc21 2362314758 PSDPIWFMMGDMFO-ZANVPECISA-N 310.825 5.035 30 10 DKEE C=CC1(C[C@H](NCC)c2ccc(Cl)c(Cl)c2C)CCC1 2364550641 IPCPSWMKCOVLIH-HNNXBMFYSA-N 312.284 5.699 30 10 DKEE Cc1ccccc1N[C@@H](C#N)c1cc(F)c(Cl)cc1Cl 2377417596 LQSLDAYKVYNAFS-HNNXBMFYSA-N 309.171 5.118 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1CNC(C)C 59178792 AOCFSODTAXVBIH-UHFFFAOYSA-N 311.897 5.577 30 10 DKEE CCCCCCCCCC[C@H](OC)n1nnc2ccccc21 100000794 FZSGEFKIXIKMFE-SFHVURJKSA-N 303.450 5.107 30 10 DKEE CCCCCCCCNc1ccc(Br)cc1Cl 104025878 GBGSFKACCHYAFL-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE CCCCCCC[C@H](CNC1CC1)Cc1ccc(Cl)cc1 110187885 WHDATTBRZXCVHS-KRWDZBQOSA-N 307.909 5.611 30 10 DKEE CCCCCCCCSc1cccc([C@@H](C)NCCC)c1 113917327 OBNKESALAKBLGC-QGZVFWFLSA-N 307.547 6.200 30 10 DKEE CCCCCCCCCCCCSc1ccc(CN)cc1 123790905 ONERABHUEGCBFQ-UHFFFAOYSA-N 307.547 6.158 30 10 DKEE C=C(C)CC[C@H](NCC)c1cccc(Br)c1Cl 125746263 HRELJRKDECBVGD-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE C[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(F)c(Cl)c1 127727850 VLWHOTZJVFSDAF-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCC[C@H](C)N[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 227761344 STFJJKDJCULCQP-LSDHHAIUSA-N 318.461 5.039 30 10 DKEE Fc1cccc(N=Cc2ccc(C=Nc3cccc(F)c3)cc2)c1 254489589 FIUXCHHRADMEKS-UHFFFAOYSA-N 320.342 5.466 30 10 DKEE COc1ccc2ccccc2c1C=Nc1ccc2ccccc2c1 254554788 CJAOOSMXGKIKDP-UHFFFAOYSA-N 311.384 5.752 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)c(Cl)c1 308064186 XTYVRPJKRMWFLM-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC/C(=N\OCc1ccc(Cl)c(Cl)c1)c1ccccc1 821217069 GDAUXRPRVNCYDN-KNTRCKAVSA-N 308.208 5.324 30 10 DKEE O=C1/C(=C\c2cc(Cl)cc(Cl)c2Cl)Nc2ccccc21 1088707369 HVAVUDXQURKKJF-AWNIVKPZSA-N 324.594 5.296 30 10 DKEE COc1ccc(C=Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 1565517386 DIOHLSZPVCVRQR-UHFFFAOYSA-N 322.433 5.186 30 10 DKEE CCCCCCCCC(=O)Nc1cc(C(C)C)cc(C(C)C)c1 1866090228 QWSCTNPAXWXBFO-UHFFFAOYSA-N 317.517 6.623 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 1893138432 FADPFZPLOKUFSN-WBMJQRKESA-N 300.273 5.116 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)c1cccc(Cl)c1C#N 1931998831 QCCISPZNBVBCFX-HNNXBMFYSA-N 312.844 5.263 30 10 DKEE CC(C)C(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1938416116 LCARCPFUQZWDCS-MRXNPFEDSA-N 322.493 5.131 30 10 DKEE C=CCCCCCC[C@@H](O)c1scc(C)c1Br 2026002527 KHIYRLCPYQBWKT-GFCCVEGCSA-N 317.292 5.379 30 10 DKEE CCCCCCCC(=O)[C@H](O)c1cc(Cl)sc1Cl 2030540635 IUUUQTMOCUAAOW-GFCCVEGCSA-N 309.258 5.018 30 10 DKEE CCC(C)(C)c1c(C#N)oc2c(C)cc(Br)cc12 2082437139 YMJUMLZPBOOMJK-UHFFFAOYSA-N 306.203 5.063 30 10 DKEE C=CCC[C@@H](C)[C@H](O)c1ccc2cc(Br)ccc2c1 2102098659 SDVKZBOIOQJWTM-PXAZEXFGSA-N 319.242 5.238 30 10 DKEE N#C[C@H](Sc1cccc(Cl)c1)[C@H]1CCC2(CCCC2)C1 2155223528 NOIXAUTXYQYVGR-BBRMVZONSA-N 305.874 5.685 30 10 DKEE O=C[C@@]1(CCc2cc(Cl)cc(Cl)c2)CCCC(F)(F)C1 2184845452 OUBHLRNGIYDAHP-CQSZACIVSA-N 321.194 5.321 30 10 DKEE CC#CCCC[C@H](NCCC)c1cc(C(F)(F)F)cs1 2194064503 OHAYEPLBEQHVRF-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCCC#CC[C@H](NC)c1ccsc1C(F)(F)F 2203833321 MMCNXBXZLOKDQD-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CC1(C)CC=C(C(=O)c2ccc(-c3cccs3)s2)CC1 2205873872 WTOQQGVDBKCIFT-UHFFFAOYSA-N 302.464 5.796 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(F)cc1OC 2207368300 LGAQDTTZTYOJAR-HNNXBMFYSA-N 301.833 5.109 30 10 DKEE C=CCCCCCCCCCNCCc1ccsc1Cl 2207434581 DIIMOGVJTVQJDY-UHFFFAOYSA-N 313.938 5.840 30 10 DKEE C=CCCCCCCCOCc1ccc(Br)cc1 2220089537 QXLJMDMJRAZIKS-UHFFFAOYSA-N 311.263 5.492 30 10 DKEE C=C(C)CCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2271799817 VWXDLEYOZXTRRL-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(OCc2ccccc2)cc1 2304042074 SXPQWDAAUYOIOJ-FCHUYYIVSA-N 323.480 5.519 30 10 DKEE CCSc1cccc(SCC[C@@H](C)C(F)F)c1C#N 2338580390 JVXREKUDMHNILR-SNVBAGLBSA-N 301.427 5.054 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1cc(Br)ccc1C 2344344075 GXQXVLOJZASOAG-IAGOWNOFSA-N 324.306 5.401 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2370541578 XJWIQOWKYVAKTD-IAGOWNOFSA-N 314.300 6.027 30 10 DKEE CCCCCCC[C@@H](C)NCc1cc(F)c(Cl)cc1Cl 2377302021 DOXTYZNKRBPEDE-GFCCVEGCSA-N 320.279 5.971 30 10 DKEE CC(C)(C)[C@H]1CCC[C@@](C#N)(Nc2ccccc2Cl)CC1 86959672 RRZYCZRFDICIOT-KBXCAEBGSA-N 304.865 5.641 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Sc1ccc(Cl)c(Cl)c1 88304093 FJUNYJHXLGFDCY-QMTHXVAHSA-N 300.254 5.558 30 10 DKEE Cc1ccsc1[C@@](C)(O)C1(C#N)CCC(C(C)(C)C)CC1 91885107 WKNSLOYDXYPONO-ZCDVPAHGSA-N 305.487 5.010 30 10 DKEE CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)C 100049782 QYWVQMLYIXYLRE-SEYXRHQNSA-N 310.590 6.730 30 10 DKEE CCCCCCCCCCOc1ccc(Br)cc1 104174396 KBAGYDCKVAKSFS-UHFFFAOYSA-N 313.279 5.969 30 10 DKEE C=C[C@]1(C)CC[C@H]2C(=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]32C)C1 104878218 MXYATHGRPJZBNA-LERVOYGESA-N 302.458 5.206 30 10 DKEE CCCCCCCCCCCC[C@@H](O)Cc1nc(C)cs1 109714284 PBCHOCDUMSTIAG-QGZVFWFLSA-N 311.535 5.666 30 10 DKEE CCCCCCCC[C@H](N)Cc1ccc(Cl)c(Cl)c1 109738480 YSKJPESRIFDAHL-AWEZNQCLSA-N 302.289 5.614 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(Cl)cc1C#N 110262477 JVENVOSLKQQINF-UHFFFAOYSA-N 320.219 6.089 30 10 DKEE CSc1cccc(N(C)[C@H](C)c2cccc(Cl)c2)c1C#N 136661136 GHBQGNNOWYDLBZ-GFCCVEGCSA-N 316.857 5.131 30 10 DKEE CCCCCCCCCCC[C@@H](NCC)c1csc(C)c1 168891769 KKVWYYPZBRBRTF-LJQANCHMSA-N 309.563 6.628 30 10 DKEE CCCCCCCCN[C@@H]1c2cc(Cl)ccc2CC1(C)C 214662696 XHHFKAXEUIUSDS-GOSISDBHSA-N 307.909 5.914 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2Br)C1 222272276 IIUREIYRVMPGLC-XUJVJEKNSA-N 324.287 5.260 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc2sccc2s1 229276475 HZJODQYYFYMZFP-AWEZNQCLSA-N 310.528 6.527 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)N(CCC)CCCC)c1 243180093 JVPOMGNLGMELIG-UHFFFAOYSA-N 316.489 5.177 30 10 DKEE C=CCCC[C@@H](NCCC)c1c(C)cccc1Br 311127332 VRSSMWUEOKNQFL-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE CC(C)CN(CCCCCCCCCS)CC(F)(F)F 387017442 LUNWPZKOUFTMMC-UHFFFAOYSA-N 313.473 5.167 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@H]1C(C)(C)C 698965602 QCWRMMXFRFJFDM-BEFAXECRSA-N 322.493 5.132 30 10 DKEE CCCCC/C=C\C/C=C\[C@H](CCCCCCCCC)C(=O)O 1848438463 DLEPQQZPLVJQDI-XMTYNAMLSA-N 322.533 6.911 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@@H](CC)NCC)cc1 1914962250 NGIBOBJFHBSPKU-JOCHJYFZSA-N 322.496 5.330 30 10 DKEE CCCCCCCC[S@](=N)(=O)c1ccc(Cl)cc1Cl 1918028611 CIEBGUSOYHEKDB-IBGZPJMESA-N 322.301 5.760 30 10 DKEE CSc1ccc(Cl)cc1C(=O)C=Cc1ccc(F)cc1 1951318353 RANUNLWGNRTGNO-UHFFFAOYSA-N 306.789 5.097 30 10 DKEE C=CCCCCCC(=O)c1c(Cl)cccc1Br 2000201240 YAVNJNQJBQPOFW-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(Br)c(C)s1 2000365415 PPLWVXCTZAJJPH-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CC1(CNc2cc(Cl)c(Br)cc2C)CCC1 2002639302 OWYCKMBRLQQQPQ-UHFFFAOYSA-N 314.654 5.179 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(F)ccc1Br 2035580254 QRENILGVOLWXFE-OAHLLOKOSA-N 316.258 5.123 30 10 DKEE O=C1CCCCC=C1c1cc(Cl)c(Cl)c(Cl)c1Cl 2063570343 ZPGKFPHVYVRUMU-UHFFFAOYSA-N 324.034 5.827 30 10 DKEE C#C[C@@H](Nc1nc(Cl)c(Cl)cc1Cl)C1CCCCC1 2139042752 PDBYIRPEUKQIQR-GFCCVEGCSA-N 317.647 5.036 30 10 DKEE C=CCCCCCC[C@]1(O)CCc2c(Br)cccc21 2141915374 ATFXJBRJACDIEI-KRWDZBQOSA-N 323.274 5.110 30 10 DKEE C=CCCCCCC[C@@]1(O)CCc2c(Br)cccc21 2141915375 ATFXJBRJACDIEI-QGZVFWFLSA-N 323.274 5.110 30 10 DKEE CCCC[C@](C)(C#N)[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 2164470434 SWQJGLDVDVQPEC-CABCVRRESA-N 318.219 5.060 30 10 DKEE CCCCCCC[C@H](NN)c1ccc(-c2cccs2)s1 2205960843 XEJAWZJWAPLTGE-ZDUSSCGKSA-N 308.516 5.342 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(-c2cccs2)cs1 2206895851 YAUZJQPXZMLCKE-OAHLLOKOSA-N 306.496 6.037 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281535403 CJRPHIFKTQOFHQ-HNNXBMFYSA-N 316.272 5.399 30 10 DKEE C=CCCCCCC[C@@H](OCCCN)c1csc(Cl)c1 2294015844 QVHFAXROYHJUBG-OAHLLOKOSA-N 315.910 5.335 30 10 DKEE CC(=O)C=Cc1ccc(OCc2cccc3ccccc23)cc1 2294769508 UTKYVVLZTXCILW-UHFFFAOYSA-N 302.373 5.021 30 10 DKEE Cc1sc(NC(=O)C=Cc2ccc(C(C)C)cc2)c(C#N)c1C 2294791357 NYAVTQBQPCFFBE-UHFFFAOYSA-N 324.449 5.012 30 10 DKEE C=C(C)CCCCc1c(C)c(C)c(Br)c(C)c1C 2322443660 CDNRRIKBOZMYFF-UHFFFAOYSA-N 309.291 5.972 30 10 DKEE CCc1ccc(C=NNc2nc(-c3ccccc3)c(C)s2)cc1 2324080587 JPQGFMWBQBVKGL-UHFFFAOYSA-N 321.449 5.127 30 10 DKEE C=CCOc1ccc2ccccc2c1CN[C@@H](C)c1ccccc1 66115623 PFFTVGPCYBDXDL-KRWDZBQOSA-N 317.432 5.255 30 10 DKEE CC[C@@H](Nc1cc(C#N)ccc1C)c1ccc(Cl)cc1Cl 109945252 DVZNVWRWNMCDLA-MRXNPFEDSA-N 319.235 5.737 30 10 DKEE CCCCCCCCCC[C@H](O)CSC1CCCCC1 115647432 JNLXYUDHNAAJKG-KRWDZBQOSA-N 300.552 5.944 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Br)c(Cl)c1 158126617 VGBVUWXPZZIGKZ-CQSZACIVSA-N 318.686 5.463 30 10 DKEE CCCCCCCC[C@H](NCC)c1cccc(Cl)c1Cl 159068527 LVLUUKILPCXBRN-INIZCTEOSA-N 316.316 6.395 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 226805952 SFZZHWBEQQVHKU-DBXWQHBBSA-N 303.405 5.078 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)c(Cl)c2)C1 227713624 KJNIYHOHPKXLKT-BFVZDQMLSA-N 300.254 5.414 30 10 DKEE Cc1cccc(N[C@H](C)c2cccc(Cl)c2Cl)c1C#N 235253163 AYNIUEQENDUGRZ-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=CCn1c(-c2ccccc2)csc1=Nc1cccc(C)c1C 252671619 NTZXLOSIIIFMFO-UHFFFAOYSA-N 320.461 5.252 30 10 DKEE CC(C)(C)[C@H](CS)CSc1cc(Cl)cc(Cl)c1 306079166 BWWLNXBSNVLGLY-SECBINFHSA-N 309.327 5.678 30 10 DKEE C=CCCCCCCN[C@@H]1CCc2ccc(Br)cc21 312048350 ALYKNPYCHOBOFF-QGZVFWFLSA-N 322.290 5.163 30 10 DKEE C=CCC(CC=C)Nc1cc(Cl)cc(Br)c1 1900998657 UYPAWQUHTXHGTM-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE C=CCCC[C@@H](NCC)c1c(C)sc(C)c1Br 1948480514 LRMARQYKPQLKCO-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=C(COCc1ccccc1)[C@@](O)(CC)C1CCC(C)(C)CC1 1975957305 JTPXHGTVGBYUNV-NRFANRHFSA-N 316.485 5.117 30 10 DKEE C=CCCCCCCCCC[C@](C)(N)COCc1ccccc1 1995324856 BXWLTVHQWBXOTH-NRFANRHFSA-N 317.517 5.618 30 10 DKEE C=C1CC(C[C@@H](NCC)c2cccc(OCc3ccccc3)c2)C1 2011090795 KEHLNILWRVNNET-JOCHJYFZSA-N 321.464 5.273 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cccc(Br)c1 2050516112 UGUGYINYDBYKSH-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=CCCCCCCCCNc1cncc(Br)c1 2086279136 PYCKDQMBFRMBJR-UHFFFAOYSA-N 311.267 5.173 30 10 DKEE C=C(C)CCC(=O)c1ccc(-c2ccc(Br)cc2)o1 2107832626 PZDNMARWPZBHOA-UHFFFAOYSA-N 319.198 5.248 30 10 DKEE C=C[C@@H](C)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2116658762 RZNAQEUAKIQLJN-WBMJQRKESA-N 300.273 5.116 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCCCC1(C)C 2117015421 VNYUPZLBRVWFTC-KRWDZBQOSA-N 320.274 5.410 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1scnc1Cl 2154628294 HOLIKKZLJQYAMJ-AWEZNQCLSA-N 316.942 6.107 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(F)c(F)cc1Cl 2168655175 NCNGEVRARWEYGV-MEDUHNTESA-N 301.808 5.261 30 10 DKEE C=CC[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 2195819153 UTORAQSHRFXSDX-CYBMUJFWSA-N 305.874 5.343 30 10 DKEE CCCCCCCCCCCCN(C)[C@H](CC)CSC 2195918948 WUEZPKWTDVIFPL-GOSISDBHSA-N 301.584 5.981 30 10 DKEE C#CC[C@H](C[C@H](NCCC)c1cc(C)c(Cl)s1)C1CC1 2196852826 DQKZGLUYTNXCHT-CABCVRRESA-N 309.906 5.190 30 10 DKEE C=C1CCC(Cn2c(S)nc3cc(C)c(Cl)cc32)CC1 2206594311 UXWPEAPGMTWEHP-UHFFFAOYSA-N 306.862 5.033 30 10 DKEE C=CCCCCCCCCNCc1cc(C(F)F)cs1 2207394694 ABPMJHGQAXLOQW-UHFFFAOYSA-N 301.446 5.692 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(CN[C@H](C)CC)c(C)c1 2217117119 SWDLBPREVGCPBW-LJQANCHMSA-N 322.496 5.076 30 10 DKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)c1ccc(Cl)s1 2239558357 FUOAEAZJOUXBCP-AWEZNQCLSA-N 324.276 5.147 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1cc(Cl)cc(Cl)c1 2293267909 DMUMDYMVCHBSDM-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE CCCCCCCC[C@@](C)(OCCN)c1csc(Cl)c1 2293305263 LLNVBDBUAHCKIJ-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2316738696 KJCHVMRFYVMUJV-CQSZACIVSA-N 305.632 5.449 30 10 DKEE C=C(C)CCCCCCc1ccc(OC)cc1Br 2317219359 XWJMNCPCYLBSJY-UHFFFAOYSA-N 311.263 5.527 30 10 DKEE C=CC[C@](C)(CC)[C@H](NN)c1cc(Cl)cc(Cl)c1Cl 2344383208 ZQIBNMJGEGCSHR-KGLIPLIRSA-N 321.679 5.144 30 10 DKEE C=CCCCSc1ccc(C)c(Cl)c1CNC1CCC1 2360724317 JWAOTFLQVGDVCB-UHFFFAOYSA-N 309.906 5.349 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(Cl)c(Cl)c2C)C1 2364002538 SUJOXSRXKUIMMQ-SUMWQHHRSA-N 310.268 5.955 30 10 DKEE Cc1c(Cl)ccc(N[C@H](CC#N)c2ccccc2)c1Cl 2365663422 UEROQYNOLZFVKL-CQSZACIVSA-N 305.208 5.369 30 10 DKEE CC[C@H](Nc1ccc(C#N)cc1C(F)(F)F)c1cccs1 36973525 UINHYUFTCONHAG-LBPRGKRZSA-N 310.344 5.202 30 10 DKEE CCCCCCCCSc1nc2cc(OCC)ccc2[nH]1 50861255 DHONKXSPBIYMTJ-UHFFFAOYSA-N 306.475 5.414 30 10 DKEE Cc1ccc2ccccc2c1C(=O)/C=C/c1c[nH]c2ccccc12 83204407 VKVAODKAFGIWDP-OUKQBFOZSA-N 311.384 5.526 30 10 DKEE CC(C)[C@H](CS)CN1c2ccccc2Sc2ccccc21 94586498 JALKREVJKJAHCC-AWEZNQCLSA-N 315.507 5.491 30 10 DKEE Cc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)s1 100031230 MBVOHTRYOTUAHV-NFRJKQOXSA-N 305.406 6.223 30 10 DKEE CCCCCCCCNCc1cccc(OCCC(C)C)c1 100048922 QHGCDBZQPTXOIA-UHFFFAOYSA-N 305.506 5.562 30 10 DKEE CCCCCCCCCCOc1c(OC)cc(C=O)cc1OC 100152603 DJBHOZOGJSKBKE-UHFFFAOYSA-N 322.445 5.036 30 10 DKEE CCCCCCCCC[C@@H](Cc1csc(C)n1)NCCC 109743083 OWKJRKSSHFENLP-KRWDZBQOSA-N 310.551 5.503 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 109901196 GVUHZOVDZAYVGR-JFIYKMOQSA-N 303.515 5.837 30 10 DKEE CCCCCCCCCCCC[S@@](=O)c1cccc(N)c1 150074964 KXNYMTNVJDCOAR-NRFANRHFSA-N 309.519 5.297 30 10 DKEE N#Cc1ccc(COc2ccc(Cl)cc2Cl)c(Cl)c1 162968979 PLLHLADSONPAFO-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCC(=O)c1ccc(Br)c(C)c1 164742285 NARVJYAXCZDSTN-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CCCCOc1cccc(/C=N/Nc2ccc(C)c(Cl)c2)c1 169879576 RLFSIZAKYFVWFN-DEDYPNTBSA-N 316.832 5.273 30 10 DKEE CCCCCCCCCCCC[C@@H](CCCSC)NN 401596161 VTOLOHAZOHQAJN-KRWDZBQOSA-N 302.572 5.273 30 10 DKEE C[C@H](Nc1ccc(Cl)cc1C#N)c1ccc(Cl)c(F)c1 695768756 JLWCQQLFANGMKS-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698918521 DJPAYUOCYUKKBC-KRWDZBQOSA-N 316.445 5.209 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C(C#N)(CC(C)C)CC(C)C 710749996 BIVJLCISONJWIB-MRXNPFEDSA-N 324.509 5.377 30 10 DKEE C=CC[C@H](C)Nc1ccc(Br)c(Cl)c1Cl 715039989 PFJDRRKAKFNUIS-ZETCQYMHSA-N 309.034 5.132 30 10 DKEE N#Cc1c(SC(F)(F)F)c(C(F)F)cc2sccc12 725291626 WRHNTZYETJOXFB-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE N#Cc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 953069049 HVLHUJDAJRGUGN-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE Clc1cc(Cl)cc(N=Cc2ccc(Cl)c(Cl)c2)c1 1088688774 GRSZZIWJYPNRMZ-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE C=CCCCC[C@@H](N)c1cscc1OCc1ccccc1 1885310568 WEHQVUHHUXHJKJ-QGZVFWFLSA-N 301.455 5.073 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1cc(Cl)cc(Cl)c1 1893317612 HPSOQAQGIFAXDY-MRXNPFEDSA-N 303.273 5.647 30 10 DKEE C=C([C@H](NCC)c1ccc(Cl)cc1Cl)[Si](C)(C)C 1922867030 CAOHTTTUWDVHMD-AWEZNQCLSA-N 302.321 5.078 30 10 DKEE C=C1CCC(CC(=O)c2cc(C)sc2Br)CC1 1951102936 JZNDHSVPMGLGKW-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CCCCCCCNc1ccc(OCc2ccccc2)cc1 1995169650 STHYRDDDNPBRMD-UHFFFAOYSA-N 309.453 5.814 30 10 DKEE Cc1cc(Br)sc1C(=O)C1=CCCCCCC1 2000240678 WEZGBQFCHTVCQY-UHFFFAOYSA-N 313.260 5.282 30 10 DKEE C=CC[C@H](NC)c1ccc(-c2ccc(Br)cc2)s1 2045755972 RYJWLJOXEVKAHH-ZDUSSCGKSA-N 322.271 5.014 30 10 DKEE C=C(CC)CC[C@@H](NCCC)c1cccc(Br)c1 2050513383 OQBYUBAGOUMFAI-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=CC[C@@H](C)C[C@H](NCCC)c1ccc(Br)cc1 2050518748 ODXXVXKRILMBHH-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Br)ccc1F 2085843104 YHGIUZSXAKWZEV-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=CC1(CN[C@H](C)c2cc(F)c(Cl)cc2Cl)CCC1 2111699796 YSOYXVCOQZDYEN-SNVBAGLBSA-N 302.220 5.139 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1snc(Cl)c1Cl 2141906882 YVFVSBIBWVAHLM-LLVKDONJSA-N 321.317 5.627 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2cc(Cl)sc2C)CC1 2154440465 LKYJKWVTXNQNKY-DSSZZKGTSA-N 311.878 5.244 30 10 DKEE N#Cc1ccnc(SCCCCCCCC2CC2)c1Cl 2239339122 NSDFXCXEKYUFLN-UHFFFAOYSA-N 308.878 5.449 30 10 DKEE CCCCCCCCCCOCc1cnc(Cl)cc1Cl 2239487128 NFMFKXKLULVASA-UHFFFAOYSA-N 318.288 6.046 30 10 DKEE C[C@H](N(CC=CC#CC(C)(C)C)Cc1ccccc1)C(C)(C)C 2243730174 MPOVGMHAUWWXIG-IBGZPJMESA-N 311.513 5.529 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](SC[C@H]2CCCCC2(F)F)C1 2283105925 CDNFSECKSHVAPG-KBUPBQIOSA-N 301.446 5.264 30 10 DKEE C=CCCCCCCCSC[C@@H]1Cc2ccccc2S1 2287192033 KQNISQPYHXIHQL-KRWDZBQOSA-N 306.540 5.963 30 10 DKEE Cc1ccc(C(=O)C=COc2ccc(Cl)cc2Cl)cc1 2297535579 VTTWAFUTCQNWLO-UHFFFAOYSA-N 307.176 5.077 30 10 DKEE O=C(C(=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 2313556435 CFOUQRQVAWHVTI-UHFFFAOYSA-N 318.803 5.764 30 10 DKEE C=CCCCCCCNc1ccc(C)c(Br)c1F 2327808296 UNAZUKSLMAGUNR-UHFFFAOYSA-N 314.242 5.445 30 10 DKEE CC(CCc1ccccc1)=NOCc1ccc(Cl)c(Cl)c1 2329919174 PQEUXVCKFZUJPM-UHFFFAOYSA-N 322.235 5.519 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 14465908 QMFBIJCURQSFID-FRIZHTMISA-N 306.796 5.038 30 10 DKEE O=C(/C=C\Sc1ccc(Cl)cc1)c1cccc2ccccc12 33381343 ORVCXHJBSWIPSI-SEYXRHQNSA-N 324.832 5.982 30 10 DKEE Cc1ccccc1/C=C1/CCC/C(=C/c2ccccc2C)C1=O 33608915 UTIHSBHVGKPGEM-SIBCGJTDSA-N 302.417 5.523 30 10 DKEE C/C(=N\O)c1cc(C)ccc1OCc1c(Cl)cccc1Cl 35629205 RZNTXLOEYHMSDK-YBFXNURJSA-N 324.207 5.079 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl 81954172 FALVVMGMZGYALC-UHFFFAOYSA-N 302.245 5.683 30 10 DKEE CCCCCCCCC/C1=C(\OC)CCCCCCCCCC1 100301188 YWMJEBVGZZTDPV-QURGRASLSA-N 322.577 7.942 30 10 DKEE CCCCCCCC[C@H](NC)c1ccccc1Br 103931036 AKBHQUYIDTZTOP-INIZCTEOSA-N 312.295 5.460 30 10 DKEE CCCCCCCC/C=C/CCCCCCCC(=O)N(C)C 105086077 GAXDEROCNMZYCS-VAWYXSNFSA-N 309.538 6.112 30 10 DKEE CCCCCCCCCCCC(=O)Cc1cccc(Cl)c1 115858330 ZBKPJSRVOBAYFR-UHFFFAOYSA-N 308.893 6.373 30 10 DKEE N#Cc1ccc(Sc2cccc(Cl)c2)cc1Br 228253803 DEPWRULKSHMSPJ-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CC(C)(C#N)c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 231790803 KRSDBJFMUPKAKW-UHFFFAOYSA-N 315.200 5.057 30 10 DKEE CCCCCCC[C@H](O)c1ccc(C(F)(F)F)nc1Cl 232943965 YZUYONAZVOEVTG-NSHDSACASA-N 309.759 5.148 30 10 DKEE C=CCC[C@@H](C)Nc1cc(C(F)(F)F)ccc1Br 235417724 ZAOZLIRFGFBZJL-SECBINFHSA-N 322.168 5.235 30 10 DKEE CC(CCc1oc2ccc(Cl)cc2c1-c1ccc(C)o1)=NO 252625963 QTDZSUZTZNHIEH-UHFFFAOYSA-N 317.772 5.437 30 10 DKEE CCCCCCCCCCC[C@@H](O)CC(F)(F)C(F)F 400518906 CATWUZCDTXFWRY-CYBMUJFWSA-N 300.380 5.559 30 10 DKEE CCCC[C@H](CC)COC(=O)[C@H](S)[C@@H](CCC)CCCC 585670211 KBNKGAPTANRYDF-YESZJQIVSA-N 316.551 5.651 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(Br)cc1 692211587 JTFQJDHTOFCOHH-LXZKKBNFSA-N 322.290 5.235 30 10 DKEE C[C@@H](CC1CCCCC1)Nc1cccc(Br)c1C#N 694690608 LJIWJEBTQMHLCW-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@H](N)c1c(C)ccc(Br)c1F 721179792 QMSKZYIPBMRSTD-ZDUSSCGKSA-N 316.258 5.257 30 10 DKEE Cc1c(C=Nc2ccc(C(C)(C)C)cc2)c2ccccc2n1C 1084436326 RZXBJYCQIPFQAL-UHFFFAOYSA-N 304.437 5.535 30 10 DKEE CCCCCCC[C@@H](NCCC)c1sc(Cl)nc1Cl 1886699293 ACOYJTUAGQRBFF-LLVKDONJSA-N 323.333 5.851 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@@H](CC)CC(C)C 1922072757 XPVBZOBNASESKR-SFTDATJTSA-N 317.517 5.200 30 10 DKEE CCCC[C@](C#N)(CC)Cc1ccsc1Br 1978650623 ASAOCOUGCWBGOA-CYBMUJFWSA-N 300.265 5.163 30 10 DKEE C=CCCCCC(=O)c1cc(F)ccc1NC(=O)OC(C)(C)C 1984515248 HGIQVORDUAFVEW-UHFFFAOYSA-N 321.392 5.102 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cscc1Br 1996471868 WYYGACIYHYIFSY-FZMZJTMJSA-N 316.308 5.154 30 10 DKEE C=CCCCCCCCCNc1cscc1Br 2026309505 FSUYZEXNIGWNEO-UHFFFAOYSA-N 316.308 5.839 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccoc1Br 2086259320 NPGHHENUVPJRJL-CQSZACIVSA-N 314.267 5.349 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cscc1C(F)(F)F 2158321566 VRFHAHDDUIIASM-RISCZKNCSA-N 305.409 5.410 30 10 DKEE CC(C)Sc1ccccc1Nc1ccc(Cl)cc1C#N 2158456583 DQZBDLUDRVCKJK-UHFFFAOYSA-N 302.830 5.456 30 10 DKEE CSc1cccc(OCc2cc(Cl)cc(Cl)c2)c1C#N 2197904502 IHSSNIGLUFWESE-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE C#C[C@H](N[C@H](C)c1c(Cl)cccc1Cl)C1CCCCC1 2203799961 DUUDOUAFAPHHHQ-WBMJQRKESA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCOC[C@@H](NCc1ccccc1)C(C)C 2211145004 ICWKEJQQAQSPPG-OAQYLSRUSA-N 317.517 5.344 30 10 DKEE CCCCCCCCCOc1ccc(F)c(Cl)c1CO 2239450920 YUQQFLQYRANLJO-UHFFFAOYSA-N 302.817 5.101 30 10 DKEE CCCCCCCOc1cccc(Br)c1Cl 2243586724 UVULYMUEWJMYIP-UHFFFAOYSA-N 305.643 5.452 30 10 DKEE CCCCCCCCC[C@@H](O)c1cocc1Br 2249432266 VJHUEQHTZSBWEU-CQSZACIVSA-N 303.240 5.216 30 10 DKEE CCC(=NOCCCc1ccccc1)c1ccc(SC)cc1 2330290103 RFFQTKOSRDXEOT-UHFFFAOYSA-N 313.466 5.172 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(C)c(Br)cc1C 2344339879 MSCPWFZMMQJXBL-DLBZAZTESA-N 324.306 5.319 30 10 DKEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1CN[C@@H](C)CC 2360731618 MPDVJNXGYIGRNB-KBPBESRZSA-N 311.922 5.593 30 10 DKEE C#CCCCCCCN[C@H](CC)c1ccc(Cl)cc1Cl 2364161680 XCBDKCSHSUNJSK-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1C)NC 2364271848 NFGPZHBFCSXQMP-HNNXBMFYSA-N 316.316 5.793 30 10 DKEE Cc1c([C@H](N)C#Cc2ccc(Cl)cc2)ccc(Cl)c1Cl 2364540889 HCXIBOPNQWWTNT-OAHLLOKOSA-N 324.638 5.007 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(Cl)c(C(F)F)s1 2371321334 XYJOVZMNONYOAN-DZGCQCFKSA-N 321.864 5.982 30 10 DKEE CC1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 214549 ZHDAXGCYNXSIAE-PWDIZTEBSA-N 324.370 5.431 30 10 DKEE CSc1cccc(Nc2ccc(C(F)(F)F)cc2C#N)c1 37333835 YFPUKBYJSZHBAN-UHFFFAOYSA-N 308.328 5.043 30 10 DKEE CC(C)Oc1ccc(Cl)cc1C(=O)/C=C/c1ccc(F)cc1 96887955 HVSFFBDFEHDQJZ-WEVVVXLNSA-N 318.775 5.162 30 10 DKEE Cc1cc(C)cc(CSCCCCCCCCCS)c1 97800157 KNQOEQFLFYQPGL-UHFFFAOYSA-N 310.572 6.197 30 10 DKEE CCCCCCCCCCCCCC(=O)Nc1cccc(C)c1 100441685 IOQXGLPNRGZWKT-UHFFFAOYSA-N 317.517 6.635 30 10 DKEE CCCCCCC[C@@H](N)c1sc(C)cc1Br 114542060 LJIRQDHREQRRFV-GFCCVEGCSA-N 304.297 5.179 30 10 DKEE CCCCCCC[C@H](O)c1ccc(SC(F)(F)F)cc1 115652868 PHRJVLRFGNZSCX-AWEZNQCLSA-N 306.393 5.692 30 10 DKEE CCCCCCCCSc1cc(Br)ccc1N 118822834 RZIVFKKSFWRVTB-UHFFFAOYSA-N 316.308 5.484 30 10 DKEE CCCCCCCC[C@H](NC)c1sccc1Br 128395164 VNYBURTZPBTJPS-ZDUSSCGKSA-N 318.324 5.522 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccc(Cl)s1)NC 160903180 IZKIQHFPQBRXRZ-AWEZNQCLSA-N 301.927 5.673 30 10 DKEE CCCCCC[C@H](C)Oc1cccc(Br)c1C#N 168623770 NEQWLPXKPOMXBY-LBPRGKRZSA-N 310.235 5.058 30 10 DKEE CCCCCCCNc1ccc(-c2nc3ccccc3o2)cc1 257629345 FJZMOPMVTZUQEX-UHFFFAOYSA-N 308.425 5.877 30 10 DKEE N#CCCCCCNc1ccc2cc(Br)ccc2c1 385203475 HPFUACFNNLRRSZ-UHFFFAOYSA-N 317.230 5.098 30 10 DKEE C=CCCC[C@H](C)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 398110236 XDBHQLIVSRPZNF-VIFPVBQESA-N 303.189 5.058 30 10 DKEE Cc1ccc(C#N)c(Nc2cc(Cl)c(Cl)c(Cl)c2)c1 404258796 NMJYBXRIFYKTPW-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCC[C@H](NCCC)c1snc(OC)c1Cl 708345577 KRDJONWISHHUOW-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE C=CCCCCC[C@@H](N)c1c(Cl)cccc1C(F)(F)F 712548743 OJOXJPSNZTWVQD-CYBMUJFWSA-N 305.771 5.495 30 10 DKEE CCc1cc2c(SC(F)(F)F)csc2cc1CC#N 725303739 VVJPBMXVQLAPGD-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CCCCCCCCN(C)Cc1cc(Cl)ccc1Cl 1887072255 CRXVWNHVUQQTOC-UHFFFAOYSA-N 302.289 5.786 30 10 DKEE CC(C)[C@@H](CC#N)N(Cc1ccccc1)[C@@H](C)c1cccs1 1915400501 RAOIZVYQYHYPOC-FUHWJXTLSA-N 312.482 5.250 30 10 DKEE CCCCCCCC(=O)[C@@](C)(O)c1cc(Cl)ccc1Cl 1919436531 FXCLSORJKSUEJG-INIZCTEOSA-N 317.256 5.131 30 10 DKEE CC(C)C[C@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1939035949 PHHOIPNSTBJBIA-KXBFYZLASA-N 322.493 5.131 30 10 DKEE C=CCCCCCCN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 1995171409 OZXHOPOUUNINCE-UXHICEINSA-N 315.501 5.096 30 10 DKEE FC(F)c1cc(SC(F)(F)F)ccc1OC(F)(F)F 2081026215 UJMZUOCSNLDNBB-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE N#CC1(Cc2c(Cl)cccc2Cl)C[C@@H]2CC[C@H](C1)S2 2089751729 VLCWVBPYNSXPDA-YWXMQNBFSA-N 312.265 5.104 30 10 DKEE N#C[C@H](Sc1ccccc1Cl)[C@H]1CCC2(CCCC2)C1 2155222542 IIRGRBIPFMLZQT-BBRMVZONSA-N 305.874 5.685 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2203958669 VMIDZFNAGWMMIU-OAHLLOKOSA-N 310.224 5.140 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205863650 FZEFIGJKHSFYHI-CXAGYDPISA-N 305.512 5.730 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1Cl 2227319861 WMHUGZZCJLTIAE-OAHLLOKOSA-N 322.707 6.181 30 10 DKEE C=CC[C@H](C)[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2254725247 AEWJSPLYMAMABR-BLLLJJGKSA-N 310.279 5.045 30 10 DKEE C=CC[C@@H](NCCC)c1cc(Br)cc(C(C)(C)C)c1 2273079614 GOKWAPWOVLQWHQ-MRXNPFEDSA-N 324.306 5.363 30 10 DKEE N#Cc1cccc(Br)c1Nc1ccc2ccccc2c1 2285182887 QCRUHWMRLIJZAO-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1cc(Cl)cs1 2290204790 DTAUZRIPNJYCJW-INIZCTEOSA-N 315.954 6.583 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1sc(C)c(C)c1Br 2304021480 IFZNCPHZPFTBPL-ZIAGYGMSSA-N 316.308 5.120 30 10 DKEE CCC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(O)cc1 2318633813 PUBLMXQDUSBJOC-UHFFFAOYSA-N 311.425 5.021 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(Cl)cc(Cl)c1Cl 2321132997 CHNWYLYDCKPQKJ-AWEZNQCLSA-N 305.632 5.822 30 10 DKEE C[C@@H]1CCC[C@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2349905598 DKNUZSCGYQFLOX-MEBBXXQBSA-N 303.204 5.070 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1cc(C(F)(F)F)ccc1Cl 2364086342 KZWNNVXCBXCVSG-CQSZACIVSA-N 304.739 5.161 30 10 DKEE C[C@H]1C[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)CCO1 2366900832 RGKHTHIHEVJDCW-LRDDRELGSA-N 312.240 5.025 30 10 DKEE CC[C@@H](Nc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 37212078 PWKUDMOMQTTZHZ-MRXNPFEDSA-N 305.208 5.428 30 10 DKEE N#Cc1cc(Oc2ccc(Cl)cc2Cl)nc2ccccc12 68796577 ZWQQQTZTEVKDDJ-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE C[C@H](Nc1c(Cl)cc(F)cc1Cl)c1cccc(C#N)c1 123093097 HJRCSAAMIDDOJW-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC[C@H](Nc1cc(C#N)ccc1Cl)c1cccc(Cl)c1 127801652 FGVMRMCERUXNOB-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE CCCCCCCCCCOc1c(Cl)cccc1CNC 165159673 RGDYNIFNUYUFEO-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCOc1ccccc1/C=C1/Oc2cc(C)c(C)cc2C1=O 214008803 SHZSLDHHTFEECW-DEDYPNTBSA-N 322.404 5.099 30 10 DKEE CCCCCCC[C@H](O)c1ccc(OCc2ccccc2)cc1 303119177 TUEAHUAQYVQXOR-NRFANRHFSA-N 312.453 5.660 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Br)oc1C 396516111 BJTKXHIZLIRJQE-AWEZNQCLSA-N 317.267 5.525 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](NCC)c1cscc1Cl 1921151027 JVVLFGHTXTXKMD-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@H](C#N)c1ccccc1)C(C)(C)C 1946838683 CRFOPZYAZWGFAG-NQIIRXRSSA-N 320.480 5.231 30 10 DKEE CCCCCCCC[C@@H](N)c1sc(Br)cc1C 1950208002 MPYRGJPLDKSFGH-GFCCVEGCSA-N 318.324 5.569 30 10 DKEE C=CCCCCCCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 1995169361 PJNJWIDAMFWZGG-FQEVSTJZSA-N 315.501 5.193 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(C)c(Br)s1 2009481747 LGPCKUKBUGUYKQ-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(C)sc2Br)CC1 2010764599 OIKSDSCGSJLKBL-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE [N-]=[N+]=Nc1ccc(C(=O)OCc2ccccc2)c(C(F)(F)F)c1 2049393059 YXIJVZZVKBIRIS-UHFFFAOYSA-N 321.258 5.004 30 10 DKEE CC#CCCCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2075358311 NKGVIZSBWPDAAZ-LBPRGKRZSA-N 304.648 5.230 30 10 DKEE CCCc1ccc([C@@H](C)n2nc(C(C)C)c(C#N)c2Cl)cc1 2080036784 KMJPLBBKTJOAKH-CYBMUJFWSA-N 315.848 5.093 30 10 DKEE C=CCC[C@@H](C)[C@@H](O)c1ccc2cc(Br)ccc2c1 2102098661 SDVKZBOIOQJWTM-SJKOYZFVSA-N 319.242 5.238 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Br)ccc1C 2123079093 AMTIBMUSADNHFA-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C#CC[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CC1 2132064237 QNBPYDKCRMEXPY-RNCFNFMXSA-N 316.659 5.099 30 10 DKEE CC(C)C(CCOc1cccc(Br)c1C#N)C(C)C 2132724363 DXIIJUDTDYGZNZ-UHFFFAOYSA-N 324.262 5.018 30 10 DKEE CCCCCCCC[C@H](NCC)c1ncc(C(F)F)s1 2154775342 PHODODRZHVQGSM-LBPRGKRZSA-N 304.450 5.482 30 10 DKEE C#C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C1CCCCC1 2203797396 DEJJVUAEHWEJTL-SJKOYZFVSA-N 310.268 5.226 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1ccc(SC)s1 2206902855 NJVIUWCULDWLBF-HNNXBMFYSA-N 311.560 6.037 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(Cl)ccc1Cl 2207429420 IYDWKNVGFLRNGY-KRWDZBQOSA-N 315.284 6.334 30 10 DKEE C=CCCCCCCCOc1cc(F)cc(Br)c1 2220087981 KOPBBWDJCGJQIE-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE C=C1CC([C@H](NCCC)c2cc(Cl)cc(Cl)c2Cl)C1 2227312190 FPPMZLPXTVGVAX-HNNXBMFYSA-N 318.675 5.654 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(O)c1ccc(Cl)c(Cl)c1 2284073050 LJEUDEFCTZQLQK-QGZVFWFLSA-N 311.252 5.197 30 10 DKEE CCN[C@H](C#CC1CCCC1)c1cc2sc(C)cc2s1 2289714066 QJBTWSMUIUATHP-CQSZACIVSA-N 303.496 5.115 30 10 DKEE CCc1ccc(C(=O)C=CNc2cc(Cl)ccc2Cl)cc1 2293261738 SDLHTQAVTFSXEF-UHFFFAOYSA-N 320.219 5.364 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1ccc(SC)s1 2294357297 SITUJNBHPWCOIP-CQSZACIVSA-N 315.548 5.237 30 10 DKEE CCCC[C@](C)(C=O)CCCc1cc(Cl)cc(Cl)c1 2341146924 BVZQFFNAOPKUBV-INIZCTEOSA-N 301.257 5.712 30 10 DKEE C=CCC[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2341153096 VXWOIHIGYPTOIV-INIZCTEOSA-N 300.273 5.260 30 10 DKEE Cc1c(Cl)ccc([C@@H](C)[C@]2(C=O)CCCSC2)c1Cl 2353222775 QCVAEQWGGCPRDZ-ABAIWWIYSA-N 317.281 5.118 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2370486353 JGBJRNHLVLOACF-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)s1)N2 14456694 QMAYNARSSBVOMW-YRNRMSPPSA-N 323.461 5.448 30 10 DKEE CSc1ccc([C@@H](C)Nc2cc(Cl)ccc2C#N)cc1 36954352 AVHFNDXMELJTLF-LLVKDONJSA-N 302.830 5.107 30 10 DKEE C/C(=N\c1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 39431382 RBNFCWRLMMHOSB-RCCKNPSSSA-N 316.360 5.403 30 10 DKEE Clc1ccccc1/N=C/c1ccccc1OCc1ccccc1 59513864 SZGJBKMEBZHRIZ-HYARGMPZSA-N 321.807 5.670 30 10 DKEE COc1cc(C)c(C(=O)/C=C/c2ccc(F)cc2)cc1C(C)C 83193351 KCXNWCXLQDZMGC-JXMROGBWSA-N 312.384 5.162 30 10 DKEE CC[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2Br)CC1 86901795 WDABWWJLDGAFJW-TZMCWYRMSA-N 321.262 5.092 30 10 DKEE CCCC(CS)(CCC)CSCc1cc(C)cc(C)c1 94721432 ZUVFHQIPTPZDTR-UHFFFAOYSA-N 310.572 6.053 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(OCCC)c(Cl)c1 109912668 NDCCGDCRAFQLRG-OAHLLOKOSA-N 311.897 6.290 30 10 DKEE Cc1ccc(Br)cc1Nc1cccc(Cl)c1C#N 110254507 VNRRVBUCNSADMH-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCCC[C@H](CSCCC)NN 126597489 UQJZWSMXWHRXKY-QGZVFWFLSA-N 302.572 5.273 30 10 DKEE CCCCCCC[C@H](NCCC)c1c(Cl)cnn1CCC 127394467 GINMAPXVFZSQMW-INIZCTEOSA-N 313.917 5.348 30 10 DKEE CCCCCCCCCCCCO[C@H]1C=CC(=O)[C@@H](CCC)O1 137029024 LALSNNOSDGXQEX-WOJBJXKFSA-N 324.505 5.574 30 10 DKEE CCCCCCCCCCCCC(=O)c1sccc1CC 165106574 UYGGPIRGRUTLQP-UHFFFAOYSA-N 308.531 6.804 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1SCCS[C@@H]1CC 228149192 FHDXAZWSEQWREM-BBWFWOEESA-N 317.608 5.472 30 10 DKEE Cc1cc(Br)cc(Nc2ccc(Cl)cc2C#N)c1 232070108 OUWGFLREMUDFOC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CSc1nc2ccc(N=Cc3c[nH]c4ccccc34)cc2s1 254840095 VUZTZBPIWRQSOK-UHFFFAOYSA-N 323.446 5.250 30 10 DKEE CC1(C)OB([C@H]2C[C@H]2c2cc(Cl)sc2Cl)OC1(C)C 307472957 ULXHNCKNLLAXGV-CBAPKCEASA-N 319.062 5.005 30 10 DKEE N#CCc1ccc(CSc2ccc(Cl)cc2Cl)cc1 399231370 PHFIXPTXAWXDCH-UHFFFAOYSA-N 308.233 5.352 30 10 DKEE N#Cc1cc(Cl)ccc1N[C@@H]1CCCc2sc(Cl)cc21 695770055 NCBNMXYQDCYIFL-CYBMUJFWSA-N 323.248 5.416 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC(C)(C)C[C@@H]1C 698380826 UROHMUJMXUQASG-DOXZYTNZSA-N 322.493 5.131 30 10 DKEE CCCCCCCCCC(=O)c1ccc(F)c(Cl)c1F 701591071 GXSNISUIHOOENA-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE CCSc1ccc(/C(CC)=N/OCc2cccc(C#N)c2)cc1 821226611 IEDKPOHYGOBJPH-XUTLUUPISA-N 324.449 5.001 30 10 DKEE CC(=O)C(C)=Cc1ccc(-c2ccccc2Br)s1 1879003726 UYWALMFHWREMBR-UHFFFAOYSA-N 321.239 5.170 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)C[C@H](C)CC 1917972217 CTMBEYORBAOTAP-XLIONFOSSA-N 303.556 6.000 30 10 DKEE CCCCCCCC(=O)[C@](C)(O)c1ccc(Cl)cc1Cl 1919071523 PHIHKOWSQLDIHV-MRXNPFEDSA-N 317.256 5.131 30 10 DKEE C=CCCCCC(=O)c1cc(Cl)c(C)c(Br)c1 2009488592 BCFZQRHOYUJRAH-UHFFFAOYSA-N 315.638 5.340 30 10 DKEE CC[C@@H](c1ccc(C)c(C)c1)n1nc(-c2ccccc2)cc1C#N 2070125414 QMIUGDPOTMOKNB-NRFANRHFSA-N 315.420 5.038 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H](NC)c1cscc1Cl 2148348276 XJMOEDYMFAYPBM-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE CCc1ccc(C#N)c(NCc2ccc(Cl)c(Cl)c2)c1 2188835826 BWYQPSBZUUTEQR-UHFFFAOYSA-N 305.208 5.040 30 10 DKEE C=CCCCCCCCC[C@H](N)c1ccc(Cl)cc1Cl 2207430681 XHWZPXWTHHHUCZ-KRWDZBQOSA-N 314.300 6.300 30 10 DKEE CCCCCCCC[C@@H](C)NCc1snc(Cl)c1Cl 2231941849 SUSLJEYBWKPBFM-LLVKDONJSA-N 323.333 5.679 30 10 DKEE N#C[C@H](C(=O)c1ccccc1Cl)c1cccc(Cl)c1Cl 2232424688 VOZGXRBXTLBYKY-NSHDSACASA-N 324.594 5.137 30 10 DKEE C=C[C@H](CCCCC)OC[C@H](N)c1cc(Cl)cc(Cl)c1 2239510363 MIWDPFGQIQFVIN-CVEARBPZSA-N 316.272 5.145 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2270974357 VVQURSHVZHYWBE-INIZCTEOSA-N 300.273 5.699 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1cc(Cl)sc1Cl 2276146711 BAXXFHRXVIHSPF-LBPRGKRZSA-N 322.301 5.208 30 10 DKEE CC(C)(C)C#CC=CCc1cc(C(F)(F)F)ccc1Cl 2284097186 VOVTZKPGDAZFMH-UHFFFAOYSA-N 300.751 5.507 30 10 DKEE CCCCCCCCCCC1(F)C[C@H]2CSC[C@@H](C1)N2 2285892872 WTZRVTBEZJYPSI-SJPCQFCGSA-N 301.515 5.093 30 10 DKEE Cc1ccc(NN=Cc2ccccc2C(F)(F)F)cc1Cl 2322969412 CWUFIDNKYJYCFG-UHFFFAOYSA-N 312.722 5.113 30 10 DKEE CCCC[C@@](C)(C=O)CCCc1cc(Cl)cc(Cl)c1 2341146925 BVZQFFNAOPKUBV-MRXNPFEDSA-N 301.257 5.712 30 10 DKEE CC1(C)CCC[C@]1(C#N)Cc1cc(F)c(Cl)cc1Cl 2349796346 JKIDGGFBFWFICK-OAHLLOKOSA-N 300.204 5.395 30 10 DKEE FC(F)(F)CCCCCOCCCCCCCCCS 2362708302 KVKITSIHUUYPRV-UHFFFAOYSA-N 314.457 5.786 30 10 DKEE C#Cc1cccc(N[C@H](c2ccco2)c2ccc(Cl)s2)c1 37185225 RILCZPMCTREEAR-QGZVFWFLSA-N 313.809 5.177 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 58929232 NEAKMVZDHXILFH-RYRKJORJSA-N 306.796 5.038 30 10 DKEE CCCC(CS)(CCC)COCc1ccc(Cl)cc1 94585887 ONWPSRSGBYNABR-UHFFFAOYSA-N 300.895 5.373 30 10 DKEE CCCCCCC[C@H](NCCC)c1nc(C(C)(C)C)cs1 109690432 HFWCPNADRXXYIW-HNNXBMFYSA-N 310.551 5.842 30 10 DKEE CCCCCCCCCNc1cc(Br)ccc1C 110163975 MAOQMYFUTLBINO-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE CCCCCCCCCCN[C@H](C)c1ccc(F)c(Cl)c1 129228199 KMCDNYKESMFHBJ-OAHLLOKOSA-N 313.888 6.270 30 10 DKEE CCCCCCCCSc1ccc(Cl)c(C(=O)O)c1 158857512 VNVSJNATDPLRDL-UHFFFAOYSA-N 300.851 5.491 30 10 DKEE CC[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1Cl 168258681 DZMWAMASPJVGCV-OAHLLOKOSA-N 323.198 5.567 30 10 DKEE CCCCCCCCCCC[C@@H](Cc1nccs1)NCC 228733140 IFCHORXMDCYTAY-KRWDZBQOSA-N 310.551 5.585 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Br)ccc1F 229264663 JZECGBUTEGQADN-HNNXBMFYSA-N 316.258 5.339 30 10 DKEE C=CCCCCCNc1cc(F)c(Br)cc1C 235766790 YJPPRNMHGFFIQH-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE CCCCCCC[C@@H](O)c1c(Cl)cccc1Br 310248759 WUWLGAUPURUSRK-CYBMUJFWSA-N 319.670 5.496 30 10 DKEE CCC[C@@](C#N)(C1CCC1)N(C(=O)OC(C)(C)C)C1CCCC1 698874304 MVHZKHDFRKEPFM-LJQANCHMSA-N 320.477 5.029 30 10 DKEE N#Cc1c(C(F)F)cc2ccsc2c1SC(F)(F)F 725291396 MRHMLCJUIOKKEN-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CCCCCCCCCOc1cccc(NC(=O)C(C)C)c1 1860089337 WDVOBUITIQZMJS-UHFFFAOYSA-N 305.462 5.411 30 10 DKEE CC1(C)CCC[C@](C)(Nc2cc(Br)cc(C#N)c2)C1 1877822402 HDMDLBAWSYWNMK-INIZCTEOSA-N 321.262 5.092 30 10 DKEE C=CCCCCC[C@H](N)c1c(Cl)cccc1Br 1948982956 FVLSWBKQDMXUEG-ZDUSSCGKSA-N 316.670 5.239 30 10 DKEE C=CCCCC[C@@H](NCC)c1cccc(Br)c1C 2059114876 NNOODPQJGNOAGQ-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE Cc1cc(C(=O)C=C2CCCCC2)c(C)cc1Br 2081062618 OSZNQJMEARFMBJ-UHFFFAOYSA-N 307.231 5.139 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Br)ccc1C 2082466505 ORMOFHUFKSFYMI-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(Cl)c(Cl)s1 2099887002 BITGJAAQODLODS-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE C=C1CC(C[C@H](NCC)c2c(Cl)ccc(Cl)c2Cl)C1 2125745091 UAXLEIDSOZOGBL-ZDUSSCGKSA-N 318.675 5.654 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H](O)c1ccc(Cl)s1 2148601530 OPGJQRUZNYSMOW-CJNGLKHVSA-N 317.926 5.164 30 10 DKEE N#C[C@@H](Sc1cccc(Cl)c1)[C@@H]1CCC2(CCCC2)C1 2155223530 NOIXAUTXYQYVGR-CZUORRHYSA-N 305.874 5.685 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2c(Cl)cccc2Cl)C1 2168549501 XMDOZHIMEAGDOZ-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(Cl)cc1C(F)(F)F 2177047182 LLLQBAHYYPTRFL-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCCC#CC[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2203778333 LAJFVOFFIFQUPC-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1ccsc1Cl 2207430286 SLXCJLZFURADJK-INIZCTEOSA-N 313.938 6.359 30 10 DKEE CCC#C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2218433403 WHGMDSIBISQBPX-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE C=CCCCC[C@H](Cc1cccc(Cl)c1Cl)NCCC 2235758440 ZRLDENFXQZIYGD-OAHLLOKOSA-N 314.300 5.651 30 10 DKEE Fc1cc(F)c(NCCCC(F)(F)C(F)(F)F)c(Cl)c1 2240409711 PGPYQQIYXSFSNJ-UHFFFAOYSA-N 323.639 5.008 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Br)ccc1C 2321144231 GQLAIRGDLDNATL-JKSUJKDBSA-N 310.279 5.010 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1ccccc1Br 2338737350 CMZRCKUWKMKWCD-KRWDZBQOSA-N 322.290 5.258 30 10 DKEE C#CCCCCCCN[C@@H](CC)c1cccc(Br)c1 2338815460 ZBFBGWYHEIMRCQ-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=C([C@@H](NCCC)c1cc(OC)c(Cl)s1)C(C)(C)C 2340266397 YMDGKTQVBAXZMC-CYBMUJFWSA-N 301.883 5.053 30 10 DKEE C=CC[C@@H](C)[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2344345831 OSMMEVDIKMNUGR-WBMJQRKESA-N 324.306 5.219 30 10 DKEE C=C([C@H](NCC)c1cc(F)c(Cl)cc1Cl)[Si](C)(C)C 2349832200 ULXWCYBTFAIFML-AWEZNQCLSA-N 320.311 5.217 30 10 DKEE C=CCC(CC=C)S[C@@H](c1cccc(Cl)c1)[C@H](N)CC 2360198928 QANGQFHPSFRXDW-SJORKVTESA-N 309.906 5.372 30 10 DKEE CC(C)(C)C#CC=CCc1ccc(Cl)cc1C(F)(F)F 2368296165 LIJMPADWEYUPRW-UHFFFAOYSA-N 300.751 5.507 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(F)c(Cl)c1F 2370479557 IJFYYNRLHKKNSH-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE Cc1cccc(N[C@H](C#N)c2cc(F)c(Cl)cc2Cl)c1 2377416666 AYJXYJWTZYDWQG-OAHLLOKOSA-N 309.171 5.118 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1cccc(C)c1)[C@H]1CC=C[C@H]21 14480223 XLEMSSFYSAUHKR-BBTUJRGHSA-N 317.432 5.386 30 10 DKEE N#Cc1ccc(Nc2ccc(F)cc2Cl)cc1C(F)(F)F 37306441 AMPAQFZTHULBOF-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE Fc1ccc(F)c(SCC2(CS)CCCCCC2)c1 94589295 MALQCEUIYWIZBR-UHFFFAOYSA-N 302.455 5.327 30 10 DKEE CCCCCCCCCOc1ccc(CCCN)cc1OCC 104742075 QJBGGZJBGCQCEP-UHFFFAOYSA-N 321.505 5.106 30 10 DKEE CCCCCCC[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 109755548 MSWWAVMODMKLJZ-KGLIPLIRSA-N 316.316 6.393 30 10 DKEE CCCCCCCCCCCCCCN1CCCCCC1=O 135795329 NDFFLUPUGUDAOM-UHFFFAOYSA-N 309.538 6.090 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ccc(Cl)s1 162512359 MRLOAPPFRYFHCH-OAHLLOKOSA-N 315.954 6.712 30 10 DKEE CCCCCC(C)(C)CNc1cccc(SCC)c1C#N 167605706 QQYINFKAYURWHM-UHFFFAOYSA-N 304.503 5.689 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232933248 COTWNNLQWCOFOE-YVSFHVDLSA-N 317.608 5.341 30 10 DKEE Cc1ccc(Oc2cc(C)c(Br)c(C)c2)c(C#N)c1 235894932 FTMBDJDMYHKLHF-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CCCC[C@@H](CC)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 304420777 QZGKCHGSHCIACG-MRXNPFEDSA-N 322.493 5.134 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 308057805 SIMUAOGXGWNMJN-NWDGAFQWSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCCCC[C@H](N)COCc1ccccc1 395549896 YSILPEBGTUHJJE-NRFANRHFSA-N 319.533 5.842 30 10 DKEE CCCCCCCNc1cc(Cl)c(Br)cc1F 703833031 ZMMXQSCKDGQDHL-UHFFFAOYSA-N 322.649 5.624 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)ccc1Br 715776799 XYVXILCDDNCCSO-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE Cc1ccc(/C(=N/OCc2ccc(Cl)cc2)C2CC2)c(C)c1 821229170 MNXNMXQJWPAJTL-XUTLUUPISA-N 313.828 5.288 30 10 DKEE Clc1ccc(N=Cc2ccc(N3CCCC3)cc2)cc1Cl 1084632799 NVXHNMKAHGBDHE-UHFFFAOYSA-N 319.235 5.344 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(C)c(F)c1 1865984755 GBTGFTWENAAQEO-UHFFFAOYSA-N 307.453 5.994 30 10 DKEE C=CCOc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874572011 RNKIKJNKFYBYRE-BUHFOSPRSA-N 318.416 5.026 30 10 DKEE C=CCCCC[C@H](CCCOCc1ccccc1)NCCC 1975336524 XHTYZRRVFHCMHG-HXUWFJFHSA-N 303.490 5.098 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 1975935087 JCLPAESTSIHXED-AWEZNQCLSA-N 317.429 5.127 30 10 DKEE CCCCCCCCCC(=O)c1cnn(Cc2ccccc2)c1 1978451721 OGFPUWUKPXSAMX-UHFFFAOYSA-N 312.457 5.255 30 10 DKEE C=C(F)C[C@H](NCCC)c1cc(Cl)ccc1Br 2011353165 CTYSGFHDCZCFOY-ZDUSSCGKSA-N 320.633 5.017 30 10 DKEE C=C(C)CC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045723411 DLTKZCNUCKYIPS-LBPRGKRZSA-N 306.664 5.654 30 10 DKEE C=CCC[C@H](C)C[C@H](NCC)c1ccccc1Br 2050510473 KITSAJOKBJDZAU-BBRMVZONSA-N 310.279 5.092 30 10 DKEE C=C(C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)s1 2051372735 SGRKBESLTUADOK-ZDUSSCGKSA-N 323.255 5.177 30 10 DKEE C=CCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2075724394 LEPODFCPYRUAHV-LBPRGKRZSA-N 307.648 5.817 30 10 DKEE CC[C@](C#N)(Nc1ccccc1Br)C1CCCCC1 2102275270 YPFVMZPJKIATRG-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE C[C@H]1C[C@@](C=O)(CCc2cc(Cl)cc(Cl)c2)CCS1 2103460115 SUCCBWAEOYBYOY-XHDPSFHLSA-N 317.281 5.027 30 10 DKEE C=CC1(C[C@H](NCCC)c2snc(Cl)c2Cl)CCC1 2111711803 QYZZFDNCZHRNSM-JTQLQIEISA-N 319.301 5.237 30 10 DKEE C=C1CC(CC[C@H](NCCC)c2ccccc2Br)C1 2125742877 STLJVMUVDXXHAO-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE C=C(C)CC[C@H](C)N[C@H]1CCOc2c(Cl)cc(Cl)cc21 2152864418 JHAKFRXZIAIWFT-NHYWBVRUSA-N 314.256 5.151 30 10 DKEE C=CCCC[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164165063 HMVPTSLUASRTTK-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C=CCC[C@H](NCCC)c1cccc(SC(F)(F)F)c1 2164221154 MXZNXJVAILUOAW-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE CCCCCCCCC[C@@H](CCCCSC)NCCC 2172973192 FLPMKKZSSHFAPO-SFHVURJKSA-N 301.584 6.029 30 10 DKEE C=C[C@@H](C)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2173289856 HHLBJNSNIPNMAM-CXAGYDPISA-N 314.300 5.506 30 10 DKEE CC(C)c1ccc([C@H](C#N)C(=O)c2ccsc2Cl)cc1 2176404073 KZADHYHWERFNEC-AWEZNQCLSA-N 303.814 5.015 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccccc1CN[C@@H](C)CC 2217123286 VSBPLKJEBZAXIP-IBGZPJMESA-N 322.496 5.157 30 10 DKEE C=C[C@@H](CCCCC)OCc1ccc(Br)c(F)c1 2223293366 ZSTLDQAEXNCZKE-ZDUSSCGKSA-N 315.226 5.240 30 10 DKEE C=CCCCCCCCNc1c(Cl)cc(F)cc1Cl 2227268960 VCDGSVSJEITUGQ-UHFFFAOYSA-N 304.236 6.071 30 10 DKEE C=C1CC([C@@H](NCCC)c2cc(C)c(Br)c(C)c2)C1 2227346690 FEXMIMQFHNAIOH-QGZVFWFLSA-N 322.290 5.073 30 10 DKEE C=CCCCCCCC[C@@H](O)CSc1ccc(Cl)cc1 2235524263 OISQTAAUIDXAHR-MRXNPFEDSA-N 312.906 5.710 30 10 DKEE C[C@H](NCCC#CC(C)(C)C)c1c(Cl)ccc(F)c1Cl 2238720046 OCWDRACVNSCMCK-NSHDSACASA-N 316.247 5.223 30 10 DKEE C=C(C)CCCCNc1ccc(Br)c(Cl)c1C 2250157099 SKVUCYRJZLFKSA-UHFFFAOYSA-N 316.670 5.569 30 10 DKEE CCCCCCC[C@H](O)[C@@H](N)c1cc(Cl)c(Cl)cc1C 2284845849 RYKDCMCENCLISX-HOTGVXAUSA-N 318.288 5.023 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286473830 NQVRZUOLHKVXFO-SJKOYZFVSA-N 314.300 5.945 30 10 DKEE O=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 2293038393 XELXGDKUCZGDRR-UHFFFAOYSA-N 308.764 5.496 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](N)c1cc2sccc2s1 2295507194 RUQOWQZPENZMRJ-HOTGVXAUSA-N 311.516 5.074 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cc(Cl)ccc1Cl 2344372619 UEWUZJOYMLYNIC-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE CCSc1cccc(SCC2CCC(C)CC2)c1C#N 2360508925 OVUVGYOPCTXXPC-UHFFFAOYSA-N 305.512 5.589 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 2362230294 PJXQQOUFGYJQGM-TVQRCGJNSA-N 315.200 5.058 30 10 DKEE CCCCCCC[C@](C)(N)Cc1ccc(Cl)c(Cl)c1C 2364230410 MEMOWUXELNOSQG-KRWDZBQOSA-N 316.316 5.922 30 10 DKEE Cc1ccccc1-c1nc2ccc(/N=C/c3cccs3)cc2o1 21002212 GIDFVEASJMKOCE-UDWIEESQSA-N 318.401 5.615 30 10 DKEE N#CCCc1c(C(F)(F)F)nc2cccc(Cl)c2c1Cl 75894131 GSVCODYIEAFSIU-UHFFFAOYSA-N 319.113 5.017 30 10 DKEE CCCC(CS)(CCC)CSc1ccc(Cl)cc1 94588731 JMAVLWCJHDNDPO-UHFFFAOYSA-N 302.936 5.949 30 10 DKEE CC(C)(C)[C@H]1CCCN(CCCCCCCCCS)CC1 97799462 IVNGBZVDSKIRSG-SFHVURJKSA-N 313.595 5.795 30 10 DKEE CCCCCCC[C@@H](NCCC)c1nc(C(C)(C)C)cs1 109690436 HFWCPNADRXXYIW-OAHLLOKOSA-N 310.551 5.842 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1ccc(Cl)cc1 109717569 URGVVKVOJDSZLN-IBGZPJMESA-N 309.925 6.521 30 10 DKEE C=CCSc1ccccc1NCc1ccc(Cl)c(Cl)c1 109901275 HHCKUZNAVXFTTH-UHFFFAOYSA-N 324.276 5.884 30 10 DKEE CC(C)(C)c1c(C#N)oc2c(Cl)cc(Cl)c(Cl)c12 110162015 ILEKZEDCVJYHJQ-UHFFFAOYSA-N 302.588 5.562 30 10 DKEE N#Cc1cc(F)ccc1Nc1cc(Cl)c(Cl)cc1Cl 111035786 ZVGNDPMAKZWGLP-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCCCCC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 113077663 CVLPLRYIZLIYJX-CYBMUJFWSA-N 312.240 5.530 30 10 DKEE CCCCCCC[C@]1(C)CCNC[C@H]1c1ccccc1Cl 118868799 IHCIXKPZPOIWNR-PKOBYXMFSA-N 307.909 5.784 30 10 DKEE N#Cc1ccc(Cl)cc1N[C@@H]1CCc2sc(Cl)cc21 129532658 CVXCNQYMYFRXBL-LLVKDONJSA-N 309.221 5.026 30 10 DKEE N#Cc1cc(Sc2ccc(Cl)cc2)ccc1C(F)(F)F 164510135 IENDVZZHDGOMOS-UHFFFAOYSA-N 313.731 5.382 30 10 DKEE Cc1ccc(C)c(Sc2cccc(Br)c2C#N)c1 168999606 ZNPYJKOVLGXDLV-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE C=CCC(=C)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 214409961 LTZWGGKLOAXUOR-DOTOQJQBSA-N 301.430 5.021 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(Br)cc1Cl 229752946 SUAJKOFFGSEEKT-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE SCC1(CSc2ccc(Cl)cc2Cl)CCCCC1 322638404 SXVXYXHSEUAFKV-UHFFFAOYSA-N 321.338 5.966 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC12CCCCC2 694434395 NRGCRFHYCNUTGG-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1cc(Cl)cc(Cl)c1 702455463 MLYBZTJPYGCLSM-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCCOC[C@@H](NC)c1cccc(Cl)c1Cl 708935362 IUQAQBHQRIQGLF-OAHLLOKOSA-N 318.288 5.241 30 10 DKEE CC[C@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 710800113 LIWXQBZFMOZOJI-KXBFYZLASA-N 316.445 5.065 30 10 DKEE C=C(C)Cn1c([C@H]2C[C@@H]2c2ccccc2Cl)nc2ccccc21 1873515048 DWABDDPNNOJWDY-CVEARBPZSA-N 322.839 5.537 30 10 DKEE C=CCC(CC=C)OCc1sc(Cl)cc1Br 1903673828 QZAFYZODRHJMTM-UHFFFAOYSA-N 321.667 5.201 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1ccccc1Br 1919909830 KIHZKIBCKDKFNL-MRXNPFEDSA-N 313.279 5.103 30 10 DKEE C=CCCC[C@H](O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925606830 UWXNSQZARMCQLJ-INIZCTEOSA-N 319.445 5.040 30 10 DKEE C=C(CC)C[C@H](O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925646997 VQIHIKWPVFLULM-INIZCTEOSA-N 319.445 5.040 30 10 DKEE C=CCCCCCCNCc1sc(C)cc1Br 1942131675 CIFFYHFCBIYFFM-UHFFFAOYSA-N 316.308 5.045 30 10 DKEE CCCCCCCCN(C)Cc1ccc(Br)s1 1950853695 PPWZEUPPTOAZCV-UHFFFAOYSA-N 318.324 5.303 30 10 DKEE C=CCCCCCC[C@]1(O)CCc2ccc(Br)cc21 2141915468 BKAUZOQLROOODX-KRWDZBQOSA-N 323.274 5.110 30 10 DKEE CCCCCCCCNCc1csc(-c2cccs2)n1 2144694130 DLVSLVVBRTTXKN-UHFFFAOYSA-N 308.516 5.322 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146760226 WLXOJESXCUTYEL-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc2sc(C)cc2s1 2156528509 MJWDRLJTSSRZOJ-CQSZACIVSA-N 309.544 6.282 30 10 DKEE C=CCCC(C)(C)CNc1c([N+](=O)[O-])ccc(Cl)c1Cl 2159706753 ZWPKGBBVTVESRR-UHFFFAOYSA-N 317.216 5.306 30 10 DKEE CCCCCCC[C@H](C)N[C@@H]1CCC[C@H](P(C)(C)=O)C1 2160836312 OQYHSJSLWPGWRW-BBWFWOEESA-N 301.455 5.259 30 10 DKEE C=C(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)[Si](C)(C)C 2164063058 LDROMBGDTAMEPP-UHFFFAOYSA-N 304.849 5.216 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1ccc(Cl)cc1Cl 2203787341 LFOOPXLUQXOVQT-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(C(F)F)cs1 2207402538 CNZFXKMCOVQHEG-CQSZACIVSA-N 302.430 6.026 30 10 DKEE C=CCCCCCCCC(=O)c1ccsc1Br 2214623260 RMIGWINCMCFYRZ-UHFFFAOYSA-N 315.276 5.610 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccsc1C(F)(F)F 2235542895 XKTLLFSRERPJSJ-CYBMUJFWSA-N 305.409 5.683 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235753514 KXGMBDFDEQRLCL-JQWIXIFHSA-N 312.240 5.242 30 10 DKEE C[C@](N)(CC#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2237896012 NTXZQJLKMDKDTK-KRWDZBQOSA-N 310.268 5.141 30 10 DKEE CCCCCCCC[C@H](C)NCc1csc(C(F)F)n1 2240643471 YFMOXWKTACTUKI-LBPRGKRZSA-N 304.450 5.309 30 10 DKEE CCCCCCCOc1cc(Cl)sc1CNCCC 2272658855 NZUOUZRRNLYTHY-UHFFFAOYSA-N 303.899 5.250 30 10 DKEE C=C(C)CCCCNc1ccc(OC(F)(F)F)cc1Cl 2287468839 ZKPRJVYDDPCRDA-UHFFFAOYSA-N 307.743 5.397 30 10 DKEE C=C(C)CCCC[C@H](OCCC(=O)O)c1cc(Cl)cs1 2292732374 WYTXJKVFQMZPMR-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc(F)ccc1Cl 2295604145 UHCXPFAHMHLSBQ-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE CCCCCCC[C@](C)(O)c1c(Cl)cc(F)cc1Cl 2335294318 PUYWKPODYSWYDU-HNNXBMFYSA-N 307.236 5.701 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2360434384 QTDWZBBSQAKOIR-OAHLLOKOSA-N 320.279 6.273 30 10 DKEE Cc1c([C@H](O)[C@@]2(C#N)CCC[C@H](C)C2)ccc(Cl)c1Cl 2366011678 FVPCXQWWUCDKTL-HNHYXYPQSA-N 312.240 5.055 30 10 DKEE C=CCCCCCC[C@H](NN)c1c(Cl)cc(F)cc1Cl 2366406192 AITFJKPNZGVSJG-AWEZNQCLSA-N 319.251 5.164 30 10 DKEE C=CC[C@H]1CCC[C@H]1NCCCc1cc(Cl)cc(Cl)c1 2366832369 BKMMNRXRJVNDLL-WMLDXEAASA-N 312.284 5.260 30 10 DKEE Cc1cc(C)c([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)c(C)c1 14457677 GXXJBJRRCBHLIQ-LZNRXBQRSA-N 314.432 5.310 30 10 DKEE CC(C)(C)n1c(-c2ccc(Cl)s2)nc2cc(C#N)ccc21 86636965 KNZOJIHIFNLWPS-UHFFFAOYSA-N 315.829 5.045 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1ccccc1Br 87096766 VTWSUGJYFMGXBT-JTQLQIEISA-N 319.333 5.133 30 10 DKEE CCCCCCCCOc1ccc([C@H](C)NCC(C)(C)C)cc1 100047775 OOEMBPUAZCPWBR-SFHVURJKSA-N 319.533 6.123 30 10 DKEE CCCCCCCCCC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 135408531 IXHGNAHZNMRONK-GJZGRUSLSA-N 306.412 6.065 30 10 DKEE CCCCCCCCCCC(=O)c1cnc2ccsc2c1 163599784 OADCXHSUBVEZBA-UHFFFAOYSA-N 303.471 6.010 30 10 DKEE CCCC[C@H](CCC)Nc1cccc(Br)c1C#N 226032106 OBZITMBCGSMYBG-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(Br)c(Cl)c1 229753563 CUNGKXVDMCERTL-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccc(Cl)cc2)C1 231383499 LMWSDKMOYHLRNO-KMFMINBZSA-N 307.890 5.682 30 10 DKEE O=C(C1=CCCCCCC1)c1cc(F)ccc1Br 236263867 NUTJXQKQIGQJIQ-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(Br)c(Cl)c1 236549618 BOMWLAFPXKVKFZ-CQSZACIVSA-N 317.654 5.272 30 10 DKEE Cc1ccc(Nc2ccccc2OCc2ccccc2)c(C#N)c1 310424751 LRPQZCYXWFWCBB-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(C)c(Br)c2)C1 313989869 LFRQROIZPGIMJS-PBHICJAKSA-N 320.274 5.410 30 10 DKEE N#Cc1c(Cl)cccc1Sc1ccc(Cl)cc1Cl 322753699 DSYUORCGERLGSX-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE C#CCCCCCC(=O)c1ccccc1OCc1ccccc1 686709566 VJPBYWFGXDKKHK-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE C=CCCCCC[C@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 704402797 HVDXKMDJAOLNIO-KRWDZBQOSA-N 319.445 5.204 30 10 DKEE N#CCc1c(SC(F)(F)F)sc2cc(Cl)ccc12 725286352 QVNDBEFRIFTWOE-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE FC(F)c1ccc2sc(C(F)(F)F)c(C(F)(F)F)c2c1 725324701 QZNAWSFVYJGBQC-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE COc1ccc(Cl)cc1/C=C/C(=O)c1cccc2ccccc12 1874583377 KQHANGHSPWBUSI-PKNBQFBNSA-N 322.791 5.398 30 10 DKEE CCCCCCCCC[S@](=N)(=O)c1ccc(F)c(F)c1 1917855068 KVLVYICTJGGHFF-FQEVSTJZSA-N 303.418 5.121 30 10 DKEE CCCCCCCCN[C@H]1CCCC[C@@H]1OCc1ccccc1 1977470157 XVVVEZUERRIFLM-SFTDATJTSA-N 317.517 5.465 30 10 DKEE C=CCCC[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccccc1 1977491082 WOCXJCAXDZMVEP-MMKMLUHNSA-N 315.501 5.095 30 10 DKEE O=C(C=Cc1cccc(Oc2ccccc2)c1)c1ccc(O)cc1 2042456065 DEIGGBZKUIHETC-UHFFFAOYSA-N 316.356 5.081 30 10 DKEE CCCCC[C@@H](CC)Nc1ccc(Br)c(C#N)c1 2073351295 URMOUEUKAZVLST-CYBMUJFWSA-N 309.251 5.092 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(Cl)c(Cl)s1 2098756704 LERHZTIWMLCRHU-ZDUSSCGKSA-N 322.345 6.586 30 10 DKEE CC[C@@](C#N)(Nc1ccc(Br)cc1)C1CCCCC1 2102274576 RUBHJIRGLZRYSR-INIZCTEOSA-N 321.262 5.114 30 10 DKEE C=C[C@H](C)C[C@H](Cc1cccc(Cl)c1Cl)NCCC 2116655488 GEFHHVYASRYSQB-GXTWGEPZSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1scc(Cl)c1Cl 2142452605 JKZBFJYNMHZOSG-CYBMUJFWSA-N 320.329 6.362 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H](O)c1cc(Cl)cs1 2148601981 QCTIVBHOJNDPFT-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE Cc1cc2sc(C(=O)CC#CC3CCCCC3)cc2s1 2156534040 VKJFZTGWYALSGV-UHFFFAOYSA-N 302.464 5.428 30 10 DKEE C=C([C@@H](NCCC)c1c(F)ccc(F)c1Cl)C(C)(C)C 2164221305 GCHSZGDABMXFLH-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE CCCCCCCCOc1c([C@@H](C)N)ccc(Cl)c1F 2176954853 GSLHJWVJFMSHHI-GFCCVEGCSA-N 301.833 5.238 30 10 DKEE CCCCCCC[C@@H](C)NCC(C(F)(F)F)C(F)(F)F 2183916068 HIUJVPXJVHHTRK-SNVBAGLBSA-N 307.322 5.066 30 10 DKEE C=CCCCCCC(=O)c1cc(Cl)cc(C(F)(F)F)c1 2200836171 INLIMQLXWFOCDG-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE CCCCCC#CC[C@@H](NC)c1cc2sc(C)cc2s1 2203831538 DTKAGXLRHSCQIO-CQSZACIVSA-N 305.512 5.506 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 2206802445 RRBAMLUIPVXSRY-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccsc1C(F)(F)F 2206885753 NIIXMDZDILFGIR-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE CCCCCCCC[C@@H](C)N[C@H](C)CCOCc1ccccc1 2212664573 QCZGSQAOZIHCAM-WOJBJXKFSA-N 319.533 5.711 30 10 DKEE N#CC1(c2cc(Cl)ccc2Cl)CC(c2ccccc2)C1 2234059703 WICAJZFOCOBXML-UHFFFAOYSA-N 302.204 5.332 30 10 DKEE C=CCCCCCCC[C@H](O)Cc1ccc(Cl)cc1Cl 2235523173 BZKYRKBKPVEHDW-INIZCTEOSA-N 315.284 5.814 30 10 DKEE C=CCCCCCCCC(=O)c1cc(C(F)(F)F)cs1 2235533492 UHNBFKNOQLSKTI-UHFFFAOYSA-N 304.377 5.866 30 10 DKEE N#C[C@@H](c1ccc(Br)c(F)c1)C1CCCCCC1 2259001298 PBVCVFHAKOMKOC-CYBMUJFWSA-N 310.210 5.166 30 10 DKEE C=CCCCSc1ccc(F)c(Cl)c1CNC(C)C 2271596094 FYKXEPUCOPAIJS-UHFFFAOYSA-N 301.858 5.035 30 10 DKEE N[C@@H](CC#CC1CCCC1)c1c(Cl)ccc(Cl)c1Cl 2274114233 SKXKPFLMIQFGPW-ZDUSSCGKSA-N 316.659 5.230 30 10 DKEE N#Cc1cc(F)c(SC[C@H]2CCCCC2(F)F)cc1Cl 2283215707 ZPMGXBMSPNFONH-SNVBAGLBSA-N 319.779 5.268 30 10 DKEE CCCN[C@H](CC=CC#CC(C)(C)C)c1sccc1Cl 2284104021 XEJQBYLMNQPUEA-OAHLLOKOSA-N 309.906 5.438 30 10 DKEE C=CCCCCCCCSc1nc(CNC2CC2)cs1 2287079604 VJHMFTVQJLSDJE-UHFFFAOYSA-N 310.532 5.014 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1scc(Br)c1C 2304046305 PBIWYFLSQLBBOB-UONOGXRCSA-N 316.308 5.072 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](SCc2cccc(Br)c2)C1 2318732426 OIWILDPOWATDQO-ZLDLUXBVSA-N 324.287 5.011 30 10 DKEE CCCCCCCC[C@@H](O)c1c(Cl)cc(F)cc1Cl 2335363437 AZGVBRVGDQWKAI-CQSZACIVSA-N 307.236 5.917 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1cccc(SC(F)(F)F)c1 2364044679 XEJDJAPCIWPNKM-CQSZACIVSA-N 302.361 5.100 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1C 2364413260 XWPSSIFKMYWETQ-MRXNPFEDSA-N 316.316 6.442 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1cc(F)c(Cl)cc1Cl 2377392151 KSFZLGJRSXPDIB-NSHDSACASA-N 318.263 5.255 30 10 DKEE CCOc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 5953558 IFNHAFYSVMXDCX-OQKWZONESA-N 316.404 5.258 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)cc2)C1 37154908 DDQATALTRMYZEV-GRDNDAEWSA-N 305.462 5.662 30 10 DKEE C[C@](C#N)(CCOc1ccc2ccccc2c1)c1ccccc1 57715562 NVSHPRIKSUIJCQ-OAQYLSRUSA-N 301.389 5.090 30 10 DKEE CCCCCCCOc1ccc(NC(=O)CC2CCCC2)cc1 100430265 ZZXHYXJQJNUHFV-UHFFFAOYSA-N 317.473 5.555 30 10 DKEE CCCCCCCn1c(/C=C\c2ccccc2)nc2ccccc21 101338166 LLIYGJFBXYZPDJ-MSUUIHNZSA-N 318.464 6.177 30 10 DKEE CCCCCCC[C@@H](C)Nc1cccc(-c2nccs2)c1 109910122 FAHLEYFIMKTVQG-OAHLLOKOSA-N 302.487 5.971 30 10 DKEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 110323683 YWFGHMXJAUTPTK-WCQYABFASA-N 312.240 5.386 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(C)ccc1Br 125700868 JPIDLNRYVHHBKT-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCCN[C@H]1CCc2cc(Cl)ccc21 127530603 SQKUSEQPFPOOAG-IBGZPJMESA-N 307.909 6.058 30 10 DKEE CCCCCCCCCCN[C@@H]1CCCC[C@H]1C(F)(F)F 129305408 HJQZTBVEXKSBOQ-HZPDHXFCSA-N 307.444 5.838 30 10 DKEE CCCCCCCCN[C@@H](C)c1sc2ccccc2c1C 159182658 QSAGHAQFUHZSJA-INIZCTEOSA-N 303.515 6.221 30 10 DKEE CCCCCC#Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1 196640413 AERMFRVXVSFMST-UHFFFAOYSA-N 323.383 5.761 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(Br)cc1Cl 229734885 GTMOBTUGHHBCQN-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=C(CNC(C)(C)C)CSc1cc(Cl)ccc1Cl 231565227 JETMIFDGBCNZAF-UHFFFAOYSA-N 304.286 5.030 30 10 DKEE CN1/C(=C/C=Nc2ccccc2)Sc2ccc3ccccc3c21 254346232 CFJGSMGDRIQGCK-CHHACQMGSA-N 316.429 5.626 30 10 DKEE CCCCCCCCCCc1cnc(Br)s1 382773608 WEDWOFFNHRPZCH-UHFFFAOYSA-N 304.297 5.589 30 10 DKEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698918523 DJPAYUOCYUKKBC-QGZVFWFLSA-N 316.445 5.209 30 10 DKEE C=CCCC(C)(C)CN[C@H](CC)c1ccc(Br)cc1 704037956 CTEFBLYAFMYAOK-MRXNPFEDSA-N 324.306 5.482 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1c(C)cccc1Br 715774033 NTDNYSASOGNTEY-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE C=C1CCC(C[C@H](N)c2ccccc2OCc2ccccc2)CC1 724598801 FJLSKENAGUWLQJ-NRFANRHFSA-N 321.464 5.402 30 10 DKEE CCCC[C@@H](C)N(C(=O)c1cccc(C#N)c1)c1cccc(C)c1 1859996110 FUHMKHVWUNBUEL-QGZVFWFLSA-N 320.436 5.092 30 10 DKEE CCCCCCCCNC(=O)/C=C(\C)c1ccc(CC)cc1 1868188894 HWBTTYBQZKPZTO-WUKNDPDISA-N 301.474 5.129 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H](C)CCCCN[C@H](C)CC 1901765745 WBOJKSYTSUYPDX-UXHICEINSA-N 316.533 5.012 30 10 DKEE C[C@@](O)(CC#CC1CCCCC1)c1cc(Cl)ccc1Cl 1919580071 XOLWJAAPRMUWDM-QGZVFWFLSA-N 311.252 5.175 30 10 DKEE CCCC1CCC(C#N)([C@](C)(O)c2ccc(Cl)s2)CC1 1921102101 JURWDPQFZMOZBE-DSSZZKGTSA-N 311.878 5.109 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)CC1CCCC1 1931882692 WUXFZBZKUVFWGK-UHFFFAOYSA-N 319.558 5.415 30 10 DKEE C=CCCCCCNc1ccc(Br)c(Cl)c1F 1943889935 VJUKKEJGABOCBN-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE N#Cc1ccccc1CN(Cc1ccccc1)CC1CCCCC1 1946750931 AFBZNSVQMXMYCZ-UHFFFAOYSA-N 318.464 5.141 30 10 DKEE Cc1ccc(CN(Cc2ccccc2)[C@@H](C)C(C)(C)C)cc1C#N 1946839152 KKYKITMZAPAEEF-SFHVURJKSA-N 320.480 5.304 30 10 DKEE CCCCCCC[C@]1(O)CCCC[C@H]1OCc1ccccc1 1959253098 PUUBYUOKBFLUDT-UXHICEINSA-N 304.474 5.237 30 10 DKEE C=CCC[C@H](C)Nc1ccc(Br)c(Cl)c1C 1993952519 ZYVZFZUWTCBOKD-VIFPVBQESA-N 302.643 5.178 30 10 DKEE CC#CCCCCn1ccc2c(OCc3ccccc3)cccc21 2019538567 FVSRDBNXDUIKKR-UHFFFAOYSA-N 317.432 5.414 30 10 DKEE C=C([C@@H](NCCC)c1snc(Cl)c1Cl)C(C)(C)C 2048315093 FXGJHANNOLDUHU-SNVBAGLBSA-N 307.290 5.093 30 10 DKEE FC(F)c1cc(Cl)cc(OC(F)(F)F)c1C(F)(F)F 2054949659 UWFDRRZYCIDGCP-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CC1CC(N[C@@H](c2cccs2)c2ccc(Cl)s2)C1 2125825496 KZVOWARZLYDXFZ-NWHVRFAMSA-N 309.887 5.107 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](C)S1 2151679255 OBAWZVIQRHARIV-BZSNNMDCSA-N 300.552 5.942 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)Sc2sccc21 2152744370 LUCHJXIVRUTURS-LUYZLQTOSA-N 307.528 5.398 30 10 DKEE C=CCCCCC[C@H](O)c1cc(Cl)ccc1OC(F)F 2196502939 GQGPGSWDHMPTQL-ZDUSSCGKSA-N 304.764 5.111 30 10 DKEE Cc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)cc1C#N 2199334311 AZEKXHOSGBFVJV-LLVKDONJSA-N 305.208 5.347 30 10 DKEE Cc1ccc(C#N)c(Nc2cc(Cl)c(F)c(Cl)c2F)c1 2200729958 HOIFOVPDHWJQTD-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE N#CC1(Cc2c(Br)sc3ccccc23)CCCC1 2217952755 YVRACEBQAGTJRC-UHFFFAOYSA-N 320.255 5.290 30 10 DKEE C=CCCCCCCCn1ccc2cc(Br)ccc21 2227283952 POAFAADQBFMTQZ-UHFFFAOYSA-N 320.274 5.930 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cscc1Br 2250147539 JXHKSIDQQRTKKL-CQSZACIVSA-N 316.308 5.298 30 10 DKEE C=CCCCCCCCSC[C@@H](N)c1ccc(Cl)s1 2271596188 GUFHVOHTBGXILM-CYBMUJFWSA-N 317.951 5.661 30 10 DKEE C=C(C)C[C@H](OCCCN)c1c(Cl)ccc(Cl)c1Cl 2277078626 MBNBOZCGMCRACS-LBPRGKRZSA-N 322.663 5.020 30 10 DKEE CCCCCCC[C@H](NCC)c1sc(Cl)cc1OC 2278266535 IDSRTSZVOMUKKP-LBPRGKRZSA-N 303.899 5.421 30 10 DKEE C=CC[C@H](C)SCCCCCCCCCCC(=O)OC 2360342824 ISSOIEQDIYLQSJ-INIZCTEOSA-N 300.508 5.368 30 10 DKEE C=CCC(CC=C)[C@H](O)c1cccc(SC(F)(F)F)c1 2364044678 XEJDJAPCIWPNKM-AWEZNQCLSA-N 302.361 5.100 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1sc(Cl)cc1OC 2370526782 XTAKDWQUGIGATA-CVEARBPZSA-N 315.910 5.443 30 10 DKEE N#Cc1cc(NCc2cc(Cl)cc(Cl)c2)ccc1Cl 37424132 FNNJIQDRAWNSKM-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2sccc2C)cc1Cl 83194345 DBYHJEAKTAITRP-FNORWQNLSA-N 306.814 5.005 30 10 DKEE CCCCCCCNCc1c(OC(C)C)ccc2ccccc12 100126266 JNWSKXIYAQZXGC-UHFFFAOYSA-N 313.485 5.687 30 10 DKEE CCCCCCCCCCC[C@H](O)[C@H](CN)c1cccs1 115863079 QFHWURMPJGUIBS-IRXDYDNUSA-N 311.535 5.072 30 10 DKEE C[C@H](O)c1ccc(C#N)cc1Sc1cc(Cl)ccc1Cl 131719250 GYNSGRLOXDXRHL-VIFPVBQESA-N 324.232 5.070 30 10 DKEE Cc1cc(C)cc(CSCc2ccc(C#N)cc2Cl)c1 163435927 PPQDSDDSNGEYCS-UHFFFAOYSA-N 301.842 5.262 30 10 DKEE C=C[C@@]1(C)C=C2CC[C@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@H]2CC1 197679341 MHVJRKBZMUDEEV-NXHKRRBXSA-N 302.458 5.206 30 10 DKEE CCCCCCCCCCNc1cc(Cl)c(F)c(Cl)c1 232036009 ALYKRSWEAVXMDW-UHFFFAOYSA-N 320.279 6.685 30 10 DKEE CCCCCCCC(=O)Nc1cccc(Br)c1C 232261239 DJPZJFVMCYDLFL-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1F)c1cccc(Cl)c1Cl 235516100 RBKHSPKUYHETFF-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1cc(F)c(F)cc1OCCCCCCCCCS 312375970 QLIDRBAOSRNOAV-UHFFFAOYSA-N 302.430 5.313 30 10 DKEE C[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698379128 RQWVQEQNBXFOOV-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCCCCCCCCSc1nc(-c2ccco2)cs1 1860812297 QIYJYHNDCHUULD-UHFFFAOYSA-N 309.500 6.246 30 10 DKEE C=CCCCCCCCCCN(CC(=C)C)Cc1ccccc1 1995319123 JMWILRHUZINOKL-UHFFFAOYSA-N 313.529 6.372 30 10 DKEE C=CC1(Nc2nc(Cl)c(Cl)cc2Cl)CCCCC1 2057947401 MRQSEBUOACNQEV-UHFFFAOYSA-N 305.636 5.343 30 10 DKEE CCc1ccc([C@H](CC)n2nc(C(C)C)c(C#N)c2Cl)cc1 2079051034 XQHHFTCMBDXWKY-INIZCTEOSA-N 315.848 5.093 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(C)c(Br)c1 2085839021 KABIHAUGBGHTAD-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE CCCCCCCCC(=O)Nc1cc(Cl)cnc1Cl 2137715667 DBLWOCNAUFGGCV-UHFFFAOYSA-N 303.233 5.078 30 10 DKEE C#CCCCC[C@H](NCCC)c1ccsc1C(F)(F)F 2173470640 KSRZVRQNUJRFFJ-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE N#C[C@H](CNc1cc(Cl)c(F)c(Cl)c1F)C1CCCC1 2200733310 JWNQIGCHLBIIFH-SECBINFHSA-N 319.182 5.013 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(-c2cccs2)s1 2205863704 WPJYAONOOPMODR-QGZVFWFLSA-N 308.512 6.045 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(-c2cccs2)s1 2205924849 IWQFZHSNAQJFBZ-AWEZNQCLSA-N 307.528 6.098 30 10 DKEE C=CCCCCCC[C@@H](NC)c1c(F)ccc(Cl)c1F 2206886734 UIZOGUFSJJDCOD-CQSZACIVSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCCCCSc1ccc(N)c(Cl)c1 2207404933 VQJSDLBDUPADJD-UHFFFAOYSA-N 311.922 6.321 30 10 DKEE C=CCCCCCCCC(=O)c1nc(C)ccc1Br 2227281152 FGIPHRRHLPXOEX-UHFFFAOYSA-N 324.262 5.252 30 10 DKEE SCC1(CSCCCCCCCC2CC2)CCOCC1 2239322094 ZZTGONSPRWSGGV-UHFFFAOYSA-N 316.576 5.197 30 10 DKEE CCCCCCCC[C@H](C)N[C@H]1CS[C@@H](C(F)(F)F)C1 2240665514 DGQIHGZTTUKBTH-BFHYXJOUSA-N 311.457 5.152 30 10 DKEE O=C(CC#CC1CCCC1)c1cccc(OCc2ccccc2)c1 2251518798 HLVHNRGZDPXOBL-UHFFFAOYSA-N 318.416 5.032 30 10 DKEE C=C(C)CCCCOc1ccc2ccccc2c1Br 2271833863 VUPJNRRFELUBBM-UHFFFAOYSA-N 319.242 5.728 30 10 DKEE CCCCCCCC[C@@](C)(CSC(C)(C)C)OCCN 2294564585 FYQISQKYOIZKDY-KRWDZBQOSA-N 303.556 5.003 30 10 DKEE CCCC(CS)(CCC)CO[C@H]1C[C@H](C)S[C@H](C)C1 2340171087 RJYCIQIFCJBAFG-QDMKHBRRSA-N 304.565 5.192 30 10 DKEE C[C@@H]1CCC[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)C1 2366909998 OSEALUFEPUMRLP-DYVFJYSZSA-N 310.268 6.036 30 10 DKEE CCOc1cc(C)c(C(=O)/C=C/c2ccc(Cl)cc2)cc1C 83193683 DKJMWJMALBSUIB-JXMROGBWSA-N 314.812 5.252 30 10 DKEE CCCCCCCCNc1ccc(OCCCCCC)cc1 100032697 YTHTVNKEPMPFCU-UHFFFAOYSA-N 305.506 6.418 30 10 DKEE CCCCCCCCCCc1cnc(-c2ccc(O)cc2)nc1 101006242 AQFOPOSIKGCYAM-UHFFFAOYSA-N 312.457 5.532 30 10 DKEE CCCCCCCCCCCC(=O)N1CCc2ccccc21 109196443 VBDNVTPSLJDEEZ-UHFFFAOYSA-N 301.474 5.497 30 10 DKEE C=CCSc1ccccc1N[C@H](CC)c1cccc(Cl)c1 109900976 CEKUIAWBOQXFOC-MRXNPFEDSA-N 317.885 6.181 30 10 DKEE CCCCCCCCc1n[nH]c(N)c1-c1ccccc1Cl 115858260 MITTWQSLHNKUDA-UHFFFAOYSA-N 305.853 5.215 30 10 DKEE CCCCCCCC[C@H](CN)c1cccc(Br)c1 118659804 SPPVMDYXPMLZCQ-OAHLLOKOSA-N 312.295 5.242 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H]1CSCCS1 122621901 KSTPRMHXDYLZNH-IRXDYDNUSA-N 318.592 5.507 30 10 DKEE CCCCCCC[C@H](NCCC)c1c(Cl)cnn1C(C)C 126903498 IAPFGYQYZPPESJ-INIZCTEOSA-N 313.917 5.519 30 10 DKEE CCCCCCCC[C@H](N)Cc1cc(Br)cs1 162899645 GXUUPUCJDZFCGQ-ZDUSSCGKSA-N 318.324 5.131 30 10 DKEE C=CCSc1ccccc1N[C@H](CC)c1cccc(F)c1 166521390 QBCPRVOBIKAWLS-MRXNPFEDSA-N 301.430 5.667 30 10 DKEE Cc1ccc(C#Cc2cnc(-c3ccc(Cl)cc3)s2)cc1 196640119 KRNSHQKWKPKFLA-UHFFFAOYSA-N 309.821 5.172 30 10 DKEE C=CCC[C@@H](C)Nc1c(Cl)cc(F)cc1Br 232161728 ZAFJGYMANYLJGX-MRVPVSSYSA-N 306.606 5.008 30 10 DKEE CC[C@@H](Nc1ccc(C#N)cc1Cl)c1cccc(Cl)c1 233906102 LEALRGKRAFXPBC-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1cc(Cl)ccc1Cl 236061216 BPCHITVAWCEKAR-CQSZACIVSA-N 311.599 5.324 30 10 DKEE C=CCCCCCCN[C@@H](CC)c1ccc(Br)cc1 312082061 ULBWMTMVOAIDLK-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE Fc1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1 514260569 NWEUPKXVIRGGNU-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CC(C)Cc1ccc(C#Cc2ccc(OC(F)(F)F)cc2)cc1 725387150 DDOPLHVFEOHHQW-UHFFFAOYSA-N 318.338 5.184 30 10 DKEE CCCCCCCCCCn1c(C)cc(OC(C)C)cc1=O 1860785144 NWBVHDARHTXZAS-UHFFFAOYSA-N 307.478 5.085 30 10 DKEE C=CCOc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874600317 FZCRPSDXDBPVCV-MDZDMXLPSA-N 306.405 5.073 30 10 DKEE CCc1c(C(C)=CB2OC(C)(C)C(C)(C)O2)oc2ccccc12 1911603474 AUKKRCITSLYMQQ-UHFFFAOYSA-N 312.218 5.030 30 10 DKEE CCCCCCCCCOC[C@@H](NCc1ccccc1)C1CC1 1915168209 RYTBKZUZASXTGJ-OAQYLSRUSA-N 317.517 5.322 30 10 DKEE N#Cc1c(Cl)cccc1N(Cc1ccccc1)C1CCCC1 1932026984 FNYHDDCVBFSTLH-UHFFFAOYSA-N 310.828 5.161 30 10 DKEE CCCCCCCCC[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C1 1980244612 SLLMSDUVYANXCB-LJQANCHMSA-N 322.493 5.278 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H]1CCN(Cc2ccccc2)C1 1988153974 AQUMPQFCZFPSSC-LEWJYISDSA-N 317.517 5.010 30 10 DKEE C=CCCC[C@@H](NCC)c1cccc(Cl)c1Br 2000381742 HWTIASQGUWQGSC-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE C=CC1(CC(=O)c2cc(Cl)ccc2Br)CCC1 2002612482 FWZDMLDSSGGVMU-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE SC[C@H](CSc1ccc(Cl)c(Cl)c1)CC1CC1 2003367639 MUQYJDLMKNUTSF-SNVBAGLBSA-N 307.311 5.432 30 10 DKEE C=C(F)C[C@@H](NCCC)c1c(Cl)cccc1Br 2011362525 BYLGAZGWJMXGKC-GFCCVEGCSA-N 320.633 5.017 30 10 DKEE O=C1C(=CC=Cc2ccco2)CCCC1=CC=Cc1ccco1 2053490445 SHPLADCLSRWYLI-UHFFFAOYSA-N 306.361 5.205 30 10 DKEE FC(F)c1cc(Cl)c(OC(F)(F)F)c(C(F)(F)F)c1 2054959003 VTSLRYLLGSPUHJ-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CC=C(C)C(=O)c1ccc(-c2cccc(Br)c2)s1 2056777518 QXIKRHKYWIPRSE-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE C=CC1CC(N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 2061832572 IVDSMJSCSGCQHS-XNWIYYODSA-N 304.648 5.262 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(C)c(Br)c1 2085915573 GIMPBRZZUBJPNT-MRXNPFEDSA-N 311.263 5.318 30 10 DKEE CCCCC[C@H](CC)Oc1ccc(C#N)c(Br)c1 2086285419 NSOLJXRUFSWBOL-ZDUSSCGKSA-N 310.235 5.058 30 10 DKEE CC1(C)CCCC[C@@]1(C)Nc1ccc(C#N)cc1Br 2103594033 GWNDDZYXQOSUBB-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE C=CC1(CC[C@@H](NCC)c2cccc(Br)c2)CCC1 2113428222 ZIDPUBQWOZEKMD-MRXNPFEDSA-N 322.290 5.236 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1cccc(Cl)c1Cl 2127974862 YNZXPLGEPNLZOO-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE CCCCC#CC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2138993898 MKZDKGKKKHPJEC-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cscc2C(F)(F)F)C1 2168518869 JWURNVUVBZLHNZ-CQSZACIVSA-N 304.377 5.095 30 10 DKEE CC1(CC(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)CCCC1 2168893484 CBVUDEHQPMNQMM-LLVKDONJSA-N 310.224 5.140 30 10 DKEE C#CCCCC[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2173454978 JCEVBXWTMLFNSH-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1cncc(Cl)c1 2175931142 AFYKHBWDJYDAPE-GFCCVEGCSA-N 304.846 5.186 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H](C)CCC(F)(F)F 2177889680 LWWOFKPKUGODIA-ZDUSSCGKSA-N 313.473 5.166 30 10 DKEE CC#CCCC[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2194066478 UVGHTAWQZGRZSQ-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE C=CCCCCCCCCC(=O)c1cscc1C(F)F 2207424209 CEAFNNPSYDYZSO-UHFFFAOYSA-N 300.414 6.175 30 10 DKEE C=CCCCCC(=O)c1sc(C)c(Br)c1C 2210635792 NOYLBEILWMHCJO-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cccc(Cl)c1Cl 2227270487 FLZYVMVPPQWUDT-OAHLLOKOSA-N 301.257 5.944 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H]1CS[C@H](C(F)(F)F)C1 2240665515 DGQIHGZTTUKBTH-IHRRRGAJSA-N 311.457 5.152 30 10 DKEE CCCCCCC[C@H](O)c1cc(F)cc(Br)c1F 2259985119 UZSZGNVFOORWAB-ZDUSSCGKSA-N 321.205 5.121 30 10 DKEE Cc1ccc(-c2ccc(C=CC(=O)c3ccccc3)o2)cc1Cl 2293038838 UKRDBBGXFWWHJG-UHFFFAOYSA-N 322.791 5.805 30 10 DKEE CCCCCCCCCC[C@@H](CCSC)OCCCN 2294559362 LZVAUDGAPOBVCC-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE O=C(C=Cc1cc2ccccc2o1)C=Cc1cc2ccccc2o1 2297462451 MMUNVSXWKUUIDG-UHFFFAOYSA-N 314.340 5.475 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)CCCc1cc(Cl)cc(Cl)c1 2370493320 YNNUIXRGOIBVPK-IAGOWNOFSA-N 314.300 5.636 30 10 DKEE CCCCCCC[C@@H](Cc1cc(F)c(Cl)cc1Cl)NC 2377400279 CILXVAXSTRBVBH-ZDUSSCGKSA-N 320.279 5.624 30 10 DKEE C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 33996063 YGBZFOQXPOGACY-DPVLJBQWSA-N 302.458 5.372 30 10 DKEE biogenic C[C@@H](Nc1cccc(C#N)c1)c1cc(F)c(Cl)cc1Cl 37203228 KOSLUYQFGOJXHV-SECBINFHSA-N 309.171 5.177 30 10 DKEE Cc1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1 59457029 GYXJFKDSYYNZET-RQZCQDPDSA-N 308.606 5.162 30 10 DKEE CCCSc1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1 83192710 RUUWTQMVZRGMEB-KPKJPENVSA-N 312.434 5.093 30 10 DKEE COc1cc(C)c(C(=O)/C=C/c2sccc2C)cc1C(C)C 83193355 FDXQZVSRPVWMDP-VOTSOKGWSA-N 314.450 5.393 30 10 DKEE CCc1ccsc1-c1sc(C#N)c(N)c1-c1cccs1 94532623 JCKCCURSTDWBHX-UHFFFAOYSA-N 316.476 5.221 30 10 DKEE CCCCCCCCCCn1c(CO)nc2cc(C)c(C)cc21 102247241 UBPFGEQGUADWQI-UHFFFAOYSA-N 316.489 5.286 30 10 DKEE CCCCCCCCCCCCSc1cc(C)ccc1N 118295277 FUODCYQLCXEAKC-UHFFFAOYSA-N 307.547 6.590 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(Cl)cc1F)NCC 134234767 YIHXSAJABWAJEX-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE Cc1cc(Cl)cc(C)c1OCc1ccc(C#N)cc1Cl 162964925 ZMTPUBJOFMGLDW-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE CC(C)c1ccccc1Nc1cccc(Br)c1C#N 168451187 SETLMVBRIKMCPE-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE CC(=NOC(=O)Nc1ccc(C)cc1)c1cccc2ccccc12 254652839 FEGGXTRZIOEWMN-UHFFFAOYSA-N 318.376 5.121 30 10 DKEE Clc1ccc(C=NN=C(c2ccccc2)c2ccccc2)cc1 254838183 JSSRERJWBPJEOY-UHFFFAOYSA-N 318.807 5.212 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1CS[C@@H](C)[C@H](C)S1 300162274 GTZBYGKXPVLOPW-QAETUUGQSA-N 317.608 5.470 30 10 DKEE N#CC1([C@H](O)c2cc(Cl)sc2Cl)CCCCCCC1 312686298 GXGGUXLBHXIDJL-GFCCVEGCSA-N 318.269 5.343 30 10 DKEE CC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 710721765 XNWGLCFRYRZUTF-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C=CCN(CC=C)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 1889337057 NWIFBSPJYRXQOR-UHFFFAOYSA-N 313.485 5.096 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC12CCC2 1938737591 GEOUDAFJFDNKBZ-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)sc1Br 1951019418 OLIWGBZMHRUDPT-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2099889966 HUYIKAZWQBIRKH-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE C=C[C@@H](N[C@@H](c1cccs1)c1ccc(Cl)s1)C1CC1 2102004902 BGVQBAAVLBSTIF-ABAIWWIYSA-N 309.887 5.107 30 10 DKEE C=CC1(C[C@H](NCC)c2cc(C)cc(Br)c2)CCC1 2111711194 LOHWOWYDPIRNAJ-INIZCTEOSA-N 322.290 5.155 30 10 DKEE Cc1cc(C(=O)C2=CC[C@H](C(C)C)CC2)ccc1Br 2125179880 FQFARGQJDUYMKK-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1csc(-c2ccsc2)n1 2164462896 VSSUHPSHUYHKQM-INIZCTEOSA-N 307.484 5.200 30 10 DKEE C=CC1(Cn2c(S)nc3cccc(Cl)c32)CCCCC1 2189599335 YUTFIDFSWWWTCH-UHFFFAOYSA-N 306.862 5.115 30 10 DKEE C[C@@](F)(CNc1cc(C(F)(F)F)ccc1Cl)C(F)(F)F 2191849021 ZQDJLROZNNTWCE-SECBINFHSA-N 323.639 5.061 30 10 DKEE CCCCCCCN(C)c1cc(C(F)(F)F)cc(Cl)n1 2196705222 XJBUPDWCEZIWMJ-UHFFFAOYSA-N 308.775 5.160 30 10 DKEE CCCN[C@H](C)c1cc(-c2ccc(Cl)c(C#N)c2)cs1 2197931143 MKZSUEXGWMCUAN-LLVKDONJSA-N 304.846 5.001 30 10 DKEE C=C(C)CCCCC(=O)c1scc(Br)c1C 2244657055 SYILUIWLBCKKRL-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(C)cc(Br)c1F 2259236412 BNEVEPPATFCYHO-AWEZNQCLSA-N 315.226 5.067 30 10 DKEE C=C1CCC(NCc2cc(Br)cc(C(C)C)c2)CC1 2266003660 TWJUEHHOGOTUSL-UHFFFAOYSA-N 322.290 5.161 30 10 DKEE Cc1cc(Cl)c(Cl)cc1Nc1ccc(C#N)c(F)c1F 2281516162 SKJUCUXPGIILPS-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE FC1(F)CCCC[C@H]1CSCCCCCCCCCS 2283148931 RCWFDAOCNYFUCQ-HNNXBMFYSA-N 324.546 6.206 30 10 DKEE CCSc1cccc(SCC2CC3(CCC3)C2)c1C#N 2283787843 OIQKXQSWAJCGGY-UHFFFAOYSA-N 303.496 5.343 30 10 DKEE C=CCC[C@H](C)[C@@H](OCCCN)c1ccc(Cl)c(Cl)c1 2294229680 BSUNZNLROZVHDV-BLLLJJGKSA-N 316.272 5.002 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc(Cl)ccc1Cl 2294367738 JAHDWXQYOKPJEG-MRXNPFEDSA-N 318.288 5.370 30 10 DKEE CCCCCCCCC[C@](C)(N)c1cscc1C(F)F 2295599368 REAHWLGCQONMCX-INIZCTEOSA-N 303.462 6.000 30 10 DKEE COc1c(C)cc(Cl)c(C)c1C(=O)C=Cc1ccc(C)cc1 2295967846 CFRDHZPODZZJQL-UHFFFAOYSA-N 314.812 5.170 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(C)c(Br)c1 2321116073 IDVFCXNXPQNWPB-HZPDHXFCSA-N 310.279 5.010 30 10 DKEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CNCCC 2335243204 WTXVYEYJTFJDTE-NSHDSACASA-N 301.858 5.035 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339147841 ALGXXJSMRLNHQW-MEDUHNTESA-N 300.273 5.555 30 10 DKEE C=C[C@H](C)C[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2347979634 BDJTYSAJOLATEF-ZUZCIYMTSA-N 324.306 5.155 30 10 DKEE C#CCCCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2366795891 XIMXFRIESMDTCL-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE CSCCC1CC(N(C)CCCCCCCCCS)C1 2370742992 FCSYBHJZFCTBSD-UHFFFAOYSA-N 317.608 5.110 30 10 DKEE Cc1cc(O)c(/C=N/c2ccc(F)c(Cl)c2)c(C)c1Cl 224046 PAQIYMKGVINHDL-FBCYGCLPSA-N 312.171 5.206 30 10 DKEE O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CC[C@@H]1C1CCCC1 247595 IJIZPDDJBJFYIT-WSYSLRRZSA-N 308.343 5.258 30 10 DKEE CC(C)c1ccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)cc1 14462638 ZVYGFJIJGLOJOI-IRFCIJBXSA-N 314.432 5.508 30 10 DKEE N#C[C@@H](C(=O)c1cc2sccc2s1)c1ccc(Cl)cc1 123592288 OPRWGTWHOQUPQA-LLVKDONJSA-N 317.822 5.106 30 10 DKEE CCCCCCC[C@H](Cc1ccc(Cl)cc1F)NCCC 134223705 ACKKQHUUYVIOKE-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE CSc1cccc(Nc2cc(Cl)cc(Cl)c2)c1C#N 136608238 NYJJFTLEQLNEKJ-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE CCCCCCCC[C@H](NCCC)c1c(F)cccc1Cl 159128498 GLDOCYHGKFFSGM-KRWDZBQOSA-N 313.888 6.270 30 10 DKEE Cc1cc(Cl)c(NCc2ccc(C#N)cc2C)cc1Cl 165389813 HLBKMZNABYFFQW-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CCSc1cccc(N[C@@H](C)c2ccccc2Cl)c1C#N 167582145 SVHICFUCUGHXSD-LBPRGKRZSA-N 316.857 5.497 30 10 DKEE CCC/C=C(CCC)/C(C#C[Si](C)(C)C)=C\[Si](C)(C)C 199523170 LOLPFCLUORHSSR-ARGJOIDYSA-N 306.642 6.198 30 10 DKEE Cc1ccsc1C=Nc1cccn2cc(-c3ccccc3)nc12 254722108 WYEYHXVDKIPALO-UHFFFAOYSA-N 317.417 5.122 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@@H]2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 382674339 JXYDDHPAQLXUKH-TWMKSMIVSA-N 318.310 5.417 30 10 DKEE C=CCCC[C@@H](C)NC1CC(c2ccccc2Br)C1 398163542 IVWFRSXEVOKVBY-WLYUNCDWSA-N 322.290 5.030 30 10 DKEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(C#N)c(Br)c1 691074343 JKWBLRIKTAAXEK-LRDDRELGSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCNc1ccc(Br)c(C#N)c1 709675560 IGQRHPFTZACHRP-UHFFFAOYSA-N 323.278 5.483 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2ncc(Cl)cc2Cl)CC1 724588475 JQIZTYUIIZTNIA-OAHLLOKOSA-N 313.272 5.176 30 10 DKEE N#CCc1cc2cc(C(F)F)cc(SC(F)(F)F)c2s1 725297132 JZQRSQUIQCISOP-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE CC/C(=N\OCc1ccccc1Cl)c1ccc(C)c(C)c1 821218171 MVVXMLSCWVNLJQ-CZIZESTLSA-N 301.817 5.288 30 10 DKEE C=CCCCCCCN[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 1939563526 MIGJAEFFJRCTGR-PMACEKPBSA-N 315.501 5.096 30 10 DKEE C=CCCCC[C@@H](NC)c1c(C)sc(C)c1Br 2009494230 QSCXCSYKMXJIER-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=C(C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 2020533494 AEJCPCHOGMWHQP-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE CCCC#CC[C@H](NCC)c1cccc(OCc2ccccc2)c1 2024351701 LCGNATMDWBBWLZ-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE C=C([C@H](NCC)c1ccc(Br)c(C)c1)C(C)(C)C 2035417293 HASKCYYFICGSGY-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccc(Br)o1 2086258270 BNBFMCKYNJDBRN-CYBMUJFWSA-N 314.267 5.349 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1ccc(Cl)cc1Cl 2141912719 BARDYFRRNZFTND-MRXNPFEDSA-N 300.273 5.694 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1csc(Cl)c1 2142437106 ZEIZMQGGDGMQPU-OAHLLOKOSA-N 300.895 6.132 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccc(Cl)o2)C1 2145636704 NQZIXWPKZYBHEV-OUCADQQQSA-N 311.878 5.521 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H](O)c1ccsc1Cl 2148594576 HBMCDKDLNFRZQR-LSDHHAIUSA-N 317.926 5.293 30 10 DKEE CCCCCCCCCCN[C@@H]1CC[C@@H](P(C)(C)=O)C1 2160799477 AYFLASCZAVTFTP-IAGOWNOFSA-N 301.455 5.261 30 10 DKEE CCCCCC#CC[C@](C)(N)c1cc(Cl)cc(Cl)c1F 2203806923 IMNREXVXMUBEEU-INIZCTEOSA-N 316.247 5.280 30 10 DKEE C=C(F)C[C@H](NCCC)c1sc(C)c(C)c1Br 2215908951 LXOWWIRLSHHQJA-NSHDSACASA-N 320.271 5.041 30 10 DKEE C=CCCCC[C@H](NC)c1sc(Cl)cc1Br 2244976947 YRDOHYPTBPCNHH-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=CCCCCCCCSCc1coc(Br)c1 2250064011 YWZNBVIOHWECTP-UHFFFAOYSA-N 317.292 5.802 30 10 DKEE C=C(CC)C[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2254718742 IDQIGZTYMADSBM-MRXNPFEDSA-N 310.279 5.189 30 10 DKEE C=CCCCC[C@H](O)c1cc(Br)cc(C(C)C)c1 2254758217 ZHDQZEIJMVBZNQ-INIZCTEOSA-N 311.263 5.352 30 10 DKEE C=CCCCCCCCSc1sccc1CNC(C)C 2287070052 DHJNYLSDXCNQFT-UHFFFAOYSA-N 311.560 5.865 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1cccc(Cl)c1 2322515020 JSFOUQWXUFFHJK-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE C=CCC(CC=C)SC[C@@H](N)c1cc(Cl)ccc1Cl 2335097429 XPZFZMYTZAZFCM-OAHLLOKOSA-N 316.297 5.247 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(C(F)F)s1 2345157026 FDASAWKRGKKDMG-LLVKDONJSA-N 309.853 5.960 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352394257 OSRTVGVTKHUBNO-QMTHXVAHSA-N 304.236 5.385 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc(OC)c(Cl)s1 2365890145 BVQVUSZEKLWYLD-CYBMUJFWSA-N 315.910 5.587 30 10 DKEE C=C([C@H](NCCC)c1c(Cl)cc(F)cc1Cl)C(C)(C)C 2366415024 PURXPYFINHJKJD-HNNXBMFYSA-N 318.263 5.776 30 10 DKEE N#CC1(Sc2ccc(Br)cc2)CC2(CCCC2)C1 97241643 BXOUHBVDMORYOK-UHFFFAOYSA-N 322.271 5.158 30 10 DKEE Cc1cccc(/C=C2/CCC/C(=C/c3cccc(C)c3)C2=O)c1 104374647 ZZYOFKXXCCXKBI-SIBCGJTDSA-N 302.417 5.523 30 10 DKEE CCCCCCC[C@H](CNC(C)C)Cc1ccccc1Cl 113024337 CLYAXPDGXYQFGW-KRWDZBQOSA-N 309.925 5.857 30 10 DKEE CCCCCCCCCC[C@H](O)c1cccc(Cl)c1Cl 115652181 XIDSWTJFZHAAHL-INIZCTEOSA-N 317.300 6.558 30 10 DKEE CCCCCCCCCC[C@H](NCCC)c1cscc1C 122038751 OAOBILBCDSETAE-IBGZPJMESA-N 309.563 6.628 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(Br)c(F)c1 159137897 HFNLYHOISFFZSE-OAHLLOKOSA-N 316.258 5.339 30 10 DKEE C=C(Br)CNC1CCCCCCCCCCC1 161374011 YQZPDVGGVMAPLW-UHFFFAOYSA-N 302.300 5.158 30 10 DKEE CCCCCCCCCCn1c(S)nc2ccc(C)nc21 162768188 UTEQNJSYQZFUAT-UHFFFAOYSA-N 305.491 5.169 30 10 DKEE C=CCC[C@H](NCCC)c1cccc(Br)c1Cl 167812377 QRUGRPHBFUFTDC-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C)cc1)N2 226671612 OUGFPSJRZJLGPU-XQBPLPMBSA-N 317.432 5.386 30 10 DKEE CCCCCCCCCCCCc1ccc(C(C)=NO)cc1 254308771 KWNFEBOPTMQWNY-UHFFFAOYSA-N 303.490 6.348 30 10 DKEE Fc1cc(Cl)ccc1OCCCCCCCCCS 311667948 YYXHBGMEWYEEPB-UHFFFAOYSA-N 304.858 5.518 30 10 DKEE CCC[C@H](Nc1cc(Br)ccc1C#N)C1CCCC1 313386287 AQMTZMPFTSVYKK-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE N#Cc1ccc(NCc2cc3cscc3s2)c(Cl)c1 693968334 BAXBBFDBRGATHI-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE N#Cc1ccc(NCc2cc3cscc3s2)cc1Cl 693971664 JREFXKOWVUEZDZ-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE CCC[C@@](C#N)(C1CCCC1)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698421449 ZUKLUYUXQSZEEZ-HNAYVOBHSA-N 322.493 5.275 30 10 DKEE CC[C@@H]1CCCCC[C@@]1(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698855204 CMYFMNSHZSTEDW-APWZRJJASA-N 322.493 5.132 30 10 DKEE C=CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1CNC(C)(C)C 715062491 FVHLXNJOILIMQL-LLVKDONJSA-N 316.272 5.225 30 10 DKEE C=C1CCC(CNc2c(C)cc(C)cc2Br)CC1 724549637 OXETVYJKQSFQFA-UHFFFAOYSA-N 308.263 5.224 30 10 DKEE CCCCOc1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1 1614825185 AVOVUGWMNJJCBY-UHFFFAOYSA-N 306.449 5.563 30 10 DKEE CCCCCCCCCCCCCCCCCC(=O)NCC#N 1866029601 VCRLYCLEDXDEKW-UHFFFAOYSA-N 322.537 5.888 30 10 DKEE C=CCC(CC=C)C(=O)c1sc(Cl)cc1Br 1901044299 ZAVIZIYNQPSUQN-UHFFFAOYSA-N 319.651 5.115 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccccc2F)s1)[Si](C)(C)C 1922989282 OFUCOPMWLQZXLX-INIZCTEOSA-N 306.478 5.021 30 10 DKEE CC(C)CN(Cc1ccccc1)CC1(CS)CCCCC1 1931881694 KRSVGUOISOUGMX-UHFFFAOYSA-N 305.531 5.025 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Br)sc1C 1946684949 JPINSXFANGVRAC-YGRLFVJLSA-N 316.308 5.072 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CC[C@H](C)CCCC)NCC 1995260970 ZZRQBFCIBUGZGY-WIYYLYMNSA-N 317.517 5.344 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(C)cc1CNC(C)C 2013173824 ISTVSPQMCWYFKH-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE CCCCCCCN(C)[C@@H](C)c1cc(Br)cs1 2013634396 MJFHDAMXQJQAOP-LBPRGKRZSA-N 318.324 5.474 30 10 DKEE C=C(C)C[C@@H](N)c1ccc(-c2ccccc2Br)s1 2045623106 PYDXFIQYGFBWDA-CYBMUJFWSA-N 322.271 5.144 30 10 DKEE CCCc1ccc([C@@H](C)n2nc(C3CCCCC3)cc2C#N)cc1 2070086580 GLFQJQINYDTASB-MRXNPFEDSA-N 321.468 5.364 30 10 DKEE C=CCCCCCC[C@H](NCC)c1coc(Br)c1 2085844057 JBQCOQVNNGAEMO-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=CCCCCCCNc1cc(F)c(Br)cc1C 2085850279 UEXYDETXCAAXOV-UHFFFAOYSA-N 314.242 5.445 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1ccsc1Cl 2142442283 UNXLIQQUPDJWKD-CQSZACIVSA-N 300.899 5.213 30 10 DKEE CCCCC#CCOc1ccc2ccc(Br)cc2c1 2142505679 WEBQKMKAHXBWHE-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H](O)c1ccsc1Cl 2148588121 NLLRPVKFHSALSS-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(SC(F)(F)F)cc1 2164261628 YNBHRNFPQRNCQG-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE C=CCCCCCCCC[C@H](NC)[C@@H]1SCCS[C@H]1C 2207436285 MEYKSPZYUQWRBL-YESZJQIVSA-N 315.592 5.118 30 10 DKEE CCC[C@H](CS)CSc1ccc(OC(F)(F)F)cc1 2227644435 YPJROTRKXLMKKF-SNVBAGLBSA-N 310.406 5.023 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)CC1CCC1 2238716052 QTJNQEUSEWUGML-HXUWFJFHSA-N 301.540 5.754 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1cc(Cl)ccc1Cl 2240620010 OJCRQQIQBNONKX-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE CCCCCCCC[C@](C)(O)[C@H](NC)c1csc(Cl)c1 2240638148 QQSKNCRYHUDKJY-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C[C@H](Nc1c(F)cccc1C#N)c1ccc(Cl)cc1Cl 2280475615 COOHBZUSIAPTHT-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCCCCCCCSc1ccc(CNC)cc1Cl 2287077764 XTNZDXORFREZDE-UHFFFAOYSA-N 311.922 5.678 30 10 DKEE CC1(CSCC2(C#N)CCCCC2)CC(C(F)(F)F)C1 2287333070 RSSSKUXARFOGLY-UHFFFAOYSA-N 305.409 5.172 30 10 DKEE C=C(C)CCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2287413652 KRHFWRVLCUJPCH-HNNXBMFYSA-N 314.300 5.651 30 10 DKEE CCCCCCC[C@H](OCCC(=O)O)c1sccc1Cl 2292003341 UVZMPKZAWOJVRZ-ZDUSSCGKSA-N 318.866 5.294 30 10 DKEE CC(C)CC[C@@]1(CCN=Cc2ccco2)CCO[C@@H](C(C)C)C1 2297475091 FKQSUVMEINHMLZ-WOJBJXKFSA-N 319.489 5.346 30 10 DKEE C#CCCCCCOc1ccc(Br)cc1C(C)(C)C 2341002924 DAKOGCQEICQFLS-UHFFFAOYSA-N 323.274 5.319 30 10 DKEE C=CCC(CC=C)Nc1ccc(OC(F)(F)F)cc1Cl 2364075027 JBBAAISQIDFCOE-UHFFFAOYSA-N 305.727 5.171 30 10 DKEE C=CCCC(C)(C)CNCCCc1cc(Cl)cc(Cl)c1 2366819915 GHZCUKIMSTUETD-UHFFFAOYSA-N 314.300 5.508 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc(F)c(Cl)cc2Cl)C1 2377318321 XMQMDBHHZQWKPU-INIZCTEOSA-N 316.247 5.530 30 10 DKEE CC(C)(C)CC(C)(C)c1ccc(OCc2ccccc2C#N)cc1 11834174 IIERWTALUDRNKY-UHFFFAOYSA-N 321.464 5.851 30 10 DKEE Cc1ccc(/C=C2/CCC/C(=C/c3ccc(Cl)cc3)C2=O)cc1 33938253 QOKNXIAPRMGJDX-SXQSXHJWSA-N 322.835 5.868 30 10 DKEE CCCCCCCCNCc1ccccc1OCCCCC 100048931 WJVBRLFPUGXRKX-UHFFFAOYSA-N 305.506 5.706 30 10 DKEE C=C[C@](CCCCCCCC)(OCC)n1nnc2ccccc21 102997014 QNBCAOBHWCWZNG-LJQANCHMSA-N 315.461 5.057 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(C(F)(F)F)cc1Cl 109853371 MABMXJLHMJATDP-LBPRGKRZSA-N 321.814 6.520 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(Cl)cc(Cl)c1 122230378 OQYJXRDZTVFOCK-MRXNPFEDSA-N 317.304 5.639 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H]1CSc2ccccc21 143443616 YUKRSOBFNLGKCA-QZTJIDSGSA-N 305.531 5.734 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc2sccc2s1 162313691 JJISUTOUCNMQFN-OAHLLOKOSA-N 323.571 6.754 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(C)o1 189885223 POILDDMQPBOYGQ-OUKQBFOZSA-N 309.409 5.092 30 10 DKEE CCCCC#CCCCCCCCCCCO[C@@H]1CCCCO1 196769207 QXJIYZDQFVIKOD-NRFANRHFSA-N 322.533 6.234 30 10 DKEE CCCCCCCC[C@H](N)c1c(F)cccc1Br 229080177 UGKDOSVZOZLWRI-AWEZNQCLSA-N 316.258 5.339 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(F)c(F)cc1Cl 231298628 CWZKMOPLGIUHFH-INIZCTEOSA-N 303.824 5.629 30 10 DKEE CCOc1ccccc1C=Nc1ccc(Nc2ccccc2)cc1 257354348 XFICGKRPBGMMPV-UHFFFAOYSA-N 316.404 5.580 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCCC[C@@H]2C)cc1Br 314632232 QXKNPXQKYOTVCO-BBRMVZONSA-N 306.247 5.020 30 10 DKEE CC1(C)CCC[C@H](Nc2ccc(Br)c(C#N)c2)CC1 690204653 RPVNJXTVWGCJBA-ZDUSSCGKSA-N 321.262 5.092 30 10 DKEE CCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698854205 DFYHMFYYAVWYEE-OAHLLOKOSA-N 322.836 5.164 30 10 DKEE C=CCC(CC=C)c1c(Cl)ccc(Br)c1F 1901005668 QCCNVTXDZAJAGL-UHFFFAOYSA-N 303.602 5.477 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1c(F)cccc1Cl 1919935434 PVSPFWGUKYHNEH-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@H](CS)C1CCC1)C(C)(C)C 1931998749 PGPIUDXBBHKMGV-QFBILLFUSA-N 319.558 5.269 30 10 DKEE CCCCCCCCC[C@]1(O)CC[C@H]1OCc1ccccc1 1934879072 VIUOMOJCLUYRPQ-UXHICEINSA-N 304.474 5.237 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1CCC(C)CC1 1975998311 NEJKFMPHZXETRK-WIUGKXBGSA-N 322.493 5.131 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC2(CCC2)C1 1976301792 DTSDYCPBZSZCBV-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C=CCCCCCC[C@]1(N)CC(C)(C)[C@H]1OCc1ccccc1 1995173193 KOMHVBKAKLKHDL-CTNGQTDRSA-N 315.501 5.226 30 10 DKEE C=C[C@@H](NCC)c1ccc(-c2cccc(Br)c2)s1 2045710473 SGRXAUOCUOXJLA-CYBMUJFWSA-N 322.271 5.014 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cc(Cl)sc2Cl)C1 2074820795 WDEOGAREVBHJQZ-CQSZACIVSA-N 305.270 5.383 30 10 DKEE C=CCC[C@H](C)[C@@H](N)c1ccc2cc(Br)ccc2c1 2102113016 WSGKGYIJFGWIRT-YVEFUNNKSA-N 318.258 5.204 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1nc(Cl)cs1 2142432402 RWKYHHOMGNDPFB-CYBMUJFWSA-N 300.899 5.493 30 10 DKEE C#CC(C)(C)C[C@@H](NCCC)c1cc2sc(C)cc2s1 2167610224 URPDJJYDHFDLLA-CYBMUJFWSA-N 305.512 5.361 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)c(C)cc1Cl 2201354321 DTDYHRJSVKEIFA-KRWDZBQOSA-N 316.316 6.313 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc2cscc2s1 2207409288 MMEKGCBPSLLPSG-OAHLLOKOSA-N 307.528 6.269 30 10 DKEE SCC1(CSCCCCCCCC2CC2)CCCC1 2230872637 JDFTUMUOWMVKGV-UHFFFAOYSA-N 300.577 5.960 30 10 DKEE CCN[C@H](C#CC(C)(C)C)c1ccc(-c2cccs2)s1 2233782695 PXHVHNXERKRYJR-CYBMUJFWSA-N 303.496 5.177 30 10 DKEE C[C@@](O)(CC#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2237804856 POSRIQCCHMDQDU-QGZVFWFLSA-N 311.252 5.175 30 10 DKEE C=C[C@@H](CCCCC)OC[C@@H](N)c1c(Cl)cccc1Cl 2239490718 UCOYOUHIHXJLSZ-SWLSCSKDSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCCC(=O)c1cc(F)c(F)cc1Br 2259160611 CIEFPAROBLCYFT-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE Cc1cc(Cl)c(Cl)cc1Nc1ccc(C#N)cc1Cl 2266778683 SUTVOENNFDIVPL-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=CCCCCCCCCC[S@@](=N)(=O)CCC(F)(F)F 2283703144 MKBMWMSOXYOFMJ-HXUWFJFHSA-N 313.429 5.292 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2284086500 RLYKZZNZFZUOHY-QGZVFWFLSA-N 310.268 5.163 30 10 DKEE C=CCCCCCCCSCc1csc(=NCCC)[nH]1 2287186111 WWMMJGRQGQAKQJ-UHFFFAOYSA-N 312.548 5.147 30 10 DKEE C=CCCCCCCCS[C@@H]1CCCCC(F)(F)[C@H]1N 2287195858 ZXWUTCXCQFSSID-CABCVRRESA-N 305.478 5.151 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)o1 2297367212 XITUAMUWBFKGDM-UHFFFAOYSA-N 319.360 5.189 30 10 DKEE CCCCCCCCCCOCC(Br)=C(C)C 2301867894 WHADHWJFJGGCTQ-UHFFFAOYSA-N 305.300 5.833 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCC)c1cccc(Cl)c1Cl 2335095477 BNTBWAZZOBGTGQ-SMDDNHRTSA-N 318.313 5.342 30 10 DKEE C=CCC(CC=C)Sc1ccc(C=O)c(C(F)(F)F)c1 2360319135 WJQUHCWBZWOBBM-UHFFFAOYSA-N 300.345 5.131 30 10 DKEE C=CCC(CC=C)Sc1ccc(C=O)cc1C(F)(F)F 2360319168 WSUAORDRCWPJAL-UHFFFAOYSA-N 300.345 5.131 30 10 DKEE CCCCCCCCN(C)Cc1cnc(C(C)(F)F)s1 2360816445 VDLWGPIRRHDFFO-UHFFFAOYSA-N 304.450 5.047 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(F)c(Cl)cc1Cl 2362237313 FOMQZKALDUCRRM-LYOVBCGYSA-N 316.247 5.528 30 10 DKEE Cc1c(C[C@@]2(C#N)CCCCC23CC3)ccc(Cl)c1Cl 2364218396 HLGTUDWOERONIC-QGZVFWFLSA-N 308.252 5.709 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1cc(F)c(Cl)cc1Cl 2377397425 AXQVFEBLJARKNB-VXGBXAGGSA-N 318.263 5.255 30 10 DKEE C[C@@H](Nc1ccccc1SC(F)F)c1cccc(C#N)c1 37197829 ZYZKLGUKNCLRSV-LLVKDONJSA-N 304.365 5.046 30 10 DKEE N#C[C@@H](C(=O)c1ccccc1Cl)c1c(Cl)cccc1Cl 37344125 ZILLOWXCTYWATR-SNVBAGLBSA-N 324.594 5.137 30 10 DKEE N#CC[C@@H](Nc1ccccc1SC(F)F)c1ccccc1 55015173 FKLSPGNHXJJCDO-CYBMUJFWSA-N 304.365 5.068 30 10 DKEE C=CCCCNc1c(Cl)cc(Br)cc1Cl 70591526 OUFNWLPAVISEGK-UHFFFAOYSA-N 309.034 5.134 30 10 DKEE CCCCCCCCNCc1cc(F)ccc1Br 103968064 KURIPHGCQRZBDL-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1cc(F)c(Cl)cc1Cl 109945136 RFKSGYMFRYKSHG-JTQLQIEISA-N 323.198 5.486 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H](C)c2cccc(Cl)c2)C1 110265554 VRGWNYUDHWRVFQ-ILXVDBEPSA-N 304.865 5.051 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)sc1Cl 115062671 XRNNUDNXAFIEIF-GFCCVEGCSA-N 308.318 6.195 30 10 DKEE CCCCCCCCCCCC(=O)[C@H](C#N)c1cccs1 115858149 CDNSWIPZYORWOJ-INIZCTEOSA-N 305.487 5.845 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1nc2ccccc2s1 115858636 UDGVNMNLGUVXLO-OAHLLOKOSA-N 304.503 5.307 30 10 DKEE CCCCCCCCCCCC[C@]1(O)CCCS[C@@H]1C 122392045 IVDHMIPZDZULSD-MSOLQXFVSA-N 300.552 5.944 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1SCCS[C@H]1CC 135854169 HFDMMVSOSMSLKT-JYJNAYRXSA-N 303.581 5.082 30 10 DKEE CCCCCCCCCNc1cc(Cl)cc(C(F)(F)F)c1 169105614 SULFAOVOGXPREM-UHFFFAOYSA-N 321.814 6.521 30 10 DKEE C=CCCCCC[C@H](NCC)c1c(Cl)cccc1Cl 233542714 WUZQACHXVLFFGX-HNNXBMFYSA-N 300.273 5.781 30 10 DKEE C#C[C@]1(C)CC[C@@H]2[C@H]3CC=C4C[C@H](C)CC[C@]4(C)[C@@H]3CC[C@@]21C 248339588 TWDJAFCDZVGTEL-GBSKLLNISA-N 310.525 6.225 30 10 DKEE CC(=O)c1ccccc1OC(=Nc1ccccc1)c1ccccc1 254877678 MGABDNYYCURZPR-UHFFFAOYSA-N 315.372 5.047 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1c(Cl)cccc1Cl)NCCC 715750799 XKNOBEFVVZUYBG-WBMJQRKESA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@@H](C)NCCc1ccc(Cl)c(Cl)c1 716333019 BNODKWNNOPMCSY-CQSZACIVSA-N 316.316 5.875 30 10 DKEE C=C1CCC(C[C@H](CSc2ccccc2Cl)NC)CC1 724588257 IAYNKVBKZYYWON-OAHLLOKOSA-N 309.906 5.157 30 10 DKEE CCCCCCCCCCO[C@@H](CC)CNCc1ccccc1 1915362451 CPKLSOLHTLHDMY-NRFANRHFSA-N 319.533 5.712 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C(C)(C)CO 1915625169 JWKWFKMOPPOMLR-UHFFFAOYSA-N 319.533 5.400 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cnc(C(C)(C)C)s1 1961772852 OSAFJDHSYGPPDX-UHFFFAOYSA-N 314.498 5.019 30 10 DKEE C[C@H](c1cccs1)N(CC#CC(C)(C)C)Cc1ccccc1 1962674115 WCNICYMEJWLWAT-QGZVFWFLSA-N 311.494 5.361 30 10 DKEE CC(C)(C)C1CCC(C=O)(CC/C=C/Br)CC1 2004035216 RLQLHQXEGARHQR-VZUCSPMQSA-N 301.268 5.097 30 10 DKEE CCCCCCC[C@@H](O)Cc1cccc(Br)c1C 2027160449 QNZLANJAEYETII-OAHLLOKOSA-N 313.279 5.021 30 10 DKEE CCCCCCC[C@H](C)Nc1cccc(F)c1Br 2029298416 POZPVBXYKLZPKH-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE CC(C)=CC(=O)c1ccc(-c2ccc(Br)cc2)s1 2045683291 YHLSANWZCJJQQN-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE C=C(C)CC[C@@H](C)NC1CC(c2ccc(Br)cc2)C1 2096544666 IGSTYTDHRBOOGH-BZOOQXSSSA-N 322.290 5.030 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1snc(Cl)c1Cl 2138956279 JPJBCFJXKUHMMS-LLVKDONJSA-N 319.301 5.074 30 10 DKEE C[C@](O)(CC#CC1CCCCC1)c1c(Cl)cccc1Cl 2149858054 OLJAYUFBBGIUBH-KRWDZBQOSA-N 311.252 5.175 30 10 DKEE CCCCCCCCOCc1cc2sc(CN)cc2s1 2156609529 NSGAAENEILOICX-UHFFFAOYSA-N 311.516 5.299 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cscc1C(F)(F)F 2158321565 VRFHAHDDUIIASM-FZMZJTMJSA-N 305.409 5.410 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Cl)cc(F)c1F 2158322695 DRVZICBEVUEDEI-BDJLRTHQSA-N 301.808 5.261 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1c(F)ccc(Cl)c1F 2164212794 QSHQRQJIOZRKOI-BDJLRTHQSA-N 301.808 5.261 30 10 DKEE C#CCCCC[C@H](NCCC)c1csc(C(F)(F)F)c1 2173492487 APQZWADGMGRTOW-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCC#CC[C@H](NCC)c1cc(C(F)(F)F)cs1 2203808041 RZTIBQXSGQTBMK-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCNCc1ccc(-c2cccs2)s1 2205865904 PYIYUKUXPUJATE-UHFFFAOYSA-N 305.512 5.703 30 10 DKEE C=CCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NC 2225668177 KIRFZGAXHVFMRQ-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE C=CCCCCCCC[C@H](O)c1ncc(Cl)cc1Cl 2227268054 LWKAAGRXNVIWRB-AWEZNQCLSA-N 302.245 5.339 30 10 DKEE N#CC1(c2cc(Cl)ccc2Cl)CC2(CCCCCC2)C1 2234057759 OONPDZHOEKVYRX-UHFFFAOYSA-N 308.252 5.889 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1cc(Br)cc(C(C)C)c1 2265966281 ZVPRITPKPBHIQA-DYVFJYSZSA-N 324.306 5.435 30 10 DKEE C=CCCCCCCCSc1cc(Cl)nc(SC)n1 2271487753 BRICBRFJLSDDLA-UHFFFAOYSA-N 316.923 5.471 30 10 DKEE CC(C)(C)C#CC=CCC(=O)Cc1cccc(Cl)c1Cl 2284075004 CMBPNDRBLYVHOL-UHFFFAOYSA-N 309.236 5.101 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@@](C)(F)CC[C@H]1NC 2287190149 VDCUHDHSNUIDCZ-ZACQAIPSSA-N 301.515 5.115 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2287412836 GGPNBDPGZYBBDB-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE C[C@@H]1[C@@H]2C[C@H](C(=C3C[C@@H]4C[C@@H]3[C@@H](C)C4(C)C)C2=NO)C1(C)C 2297680981 CCDHTPVHZBYPLL-PNJFHANVSA-N 301.474 5.127 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Br)c(Cl)c1 2304036203 SNXHKHZDLSDDLD-UONOGXRCSA-N 316.670 5.095 30 10 DKEE C=C[C@H](C)CC(=O)c1c(C)c(C)c(Br)c(C)c1C 2322676887 XVXBYWJAQDAVQP-VIFPVBQESA-N 309.247 5.078 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340803898 ATRDONUSOROISN-BMIGLBTASA-N 304.236 5.385 30 10 DKEE CCCCCC#CC[C@H](N)c1cc(F)c(Cl)cc1Cl 2349780347 DQPLEGFQTLHXIZ-HNNXBMFYSA-N 302.220 5.106 30 10 DKEE C#CCCCCCCN[C@H](C)c1c(Cl)ccc(F)c1Cl 2364149444 SSGAUKQAHLIPHH-GFCCVEGCSA-N 316.247 5.367 30 10 DKEE Cc1c(Cl)ccc(Nc2ccc(C#N)c(F)c2F)c1Cl 2365665786 XZKDSVNBZRNJPG-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE O=C1C=C(Nc2cccc3ccccc23)C[C@@H](c2ccccc2)C1 4867765 XTCBLIFLDUUYIE-GOSISDBHSA-N 313.400 5.282 30 10 DKEE Cn1c2ccccc2c2cc(/C=C\C(=O)c3ccccc3)ccc21 33414291 KQNFNMPCJUBMDQ-OWBHPGMISA-N 311.384 5.228 30 10 DKEE CCC(CC)c1nc2cc(Cl)c(Cl)cc2n1C[C@@H](C)C#N 57804982 SCGNXSNVTVLRSP-JTQLQIEISA-N 324.255 5.406 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(OCC)cc1 80491004 FNYASXPXPLJXCV-UHFFFAOYSA-N 319.489 5.945 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Nc2ccc(Br)cc2)CC1 86914091 WOSACSOZZYHSHV-XJKSGUPXSA-N 321.262 5.114 30 10 DKEE CCC[C@@H](CS)COc1c(Cl)cc(Cl)cc1Cl 94582302 XWSVCTUMVBWKGX-MRVPVSSYSA-N 313.677 5.372 30 10 DKEE CCCCCCCCSc1ccc([C@@H](C)NCCC)cc1 114530410 VYQXHKNQMJROPZ-QGZVFWFLSA-N 307.547 6.200 30 10 DKEE Cc1ccc(Cl)c(Oc2cc(Br)ccc2C#N)c1 123479353 CSWMKHHYYPBAOZ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCC[C@H](NCC)c1snnc1CCC 139419055 XFEDTADYARNKQO-HNNXBMFYSA-N 311.539 5.282 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1ccc(CC)s1 162325579 WHHULPZLSSUSCM-GOSISDBHSA-N 309.563 6.492 30 10 DKEE N#Cc1cc(Nc2cccc(Cl)c2F)ccc1C(F)(F)F 164402843 VOHYACLXETYLMU-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#Cc1ccc(-c2ccc(C=Nc3ccc4ncccc4c3)o2)cc1 254591965 DEDDYTQNUJJZTM-UHFFFAOYSA-N 323.355 5.117 30 10 DKEE Cc1ccc2cc3c(nc2c1)-c1ccccc1C3=Nc1ccccc1 254762693 JWCBEBMHXWEVAT-UHFFFAOYSA-N 320.395 5.693 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(Cl)cc(Cl)c2)C1 382184632 MKPZLAQMCBQGRE-UEKVPHQBSA-N 314.281 5.804 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](C)c2ccc(Br)cc2)C1 394060960 XZQGQCZTAUWJNZ-VBQJREDUSA-N 320.274 5.663 30 10 DKEE C[C@H](Nc1ccc(CC#N)cc1)c1c(Cl)cccc1Cl 400856714 KZQQHDUFEGOSMG-NSHDSACASA-N 305.208 5.233 30 10 DKEE CCCCCCCCN[C@@H](C)c1c(Cl)cccc1Cl 400886968 GLOIURPMAUEMEY-ZDUSSCGKSA-N 302.289 6.005 30 10 DKEE C#CCCCCC[C@H](Cc1c(Cl)cccc1Cl)NCC 686700459 AEUJQIQVASJBER-CQSZACIVSA-N 312.284 5.098 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2ccc(Cl)cc21 692191913 VFLHMQQOCWKRJM-RISCZKNCSA-N 306.862 5.286 30 10 DKEE Cc1ccc(CSc2cc(Cl)ccc2Cl)cc1C#N 701881371 UIKXOFDBJBAKNK-UHFFFAOYSA-N 308.233 5.466 30 10 DKEE CSc1ccc2scc(SC(F)(F)F)c2c1CC#N 725318675 VEBPXCZAPCVEBE-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE N#Cc1ncc(Cl)cc1-c1cc(Cl)cc(Cl)c1Cl 1848373954 MXIMTMVWLLKCRB-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CC[C@@H](C)N(C(=O)c1cccc(C#N)c1)c1ccc(C(C)C)cc1 1859908264 USMSAIFJGOLELX-MRXNPFEDSA-N 320.436 5.127 30 10 DKEE CCC[C@@H](CS)CN(Cc1ccccc1)CC1CCCCC1 1931884178 QCAIQWLXZBOGST-HXUWFJFHSA-N 319.558 5.415 30 10 DKEE C[C@H](CCS)CCN(Cc1ccccc1)[C@H](C)C(C)(C)C 1931999214 WFJHURKQNYBWLL-DLBZAZTESA-N 307.547 5.269 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1cc(C#N)ccc1F)C(C)(C)C 1946838854 GITDBXORWVQWMV-MRXNPFEDSA-N 324.443 5.134 30 10 DKEE CCCCCCCCCN1CCC[C@@H](OCc2ccccc2)C1 1990777724 BSHKZXCIZFIEGY-OAQYLSRUSA-N 317.517 5.418 30 10 DKEE C=CCCCCCCCC[C@H](NC)[C@@H](C)OCc1ccccc1 1995325790 OWMNVMUJEVYIGN-CTNGQTDRSA-N 317.517 5.487 30 10 DKEE C=CCCC[C@H](NCCC)c1sc(C)cc1Br 2000450695 SZSKJIGYNHGBDP-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC[C@H]1CC[C@@](C#N)(Cc2cccc(Br)c2C)C1 2027193103 DEXOEHMVVLGIHQ-BBRMVZONSA-N 306.247 5.020 30 10 DKEE N#C[C@]1(Cc2cc(Cl)sc2Cl)CCCCC12CC2 2074835413 QAZASEWSINVJPD-CQSZACIVSA-N 300.254 5.462 30 10 DKEE C=CCCCCCCCCCNC(=O)OCc1ccccc1 2081108467 KIGCBTLLUAJCAU-UHFFFAOYSA-N 303.446 5.220 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H](NC)c1ccsc1Cl 2147450177 LBMBPFLUXFUJGC-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H](NC)c1csc(Cl)c1 2154432308 CEZPXURZVJBKFV-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CC(C)C(CCOCCCCCCCCCS)C(C)C 2189252973 QQGFIDXHUGGCPO-UHFFFAOYSA-N 302.568 5.982 30 10 DKEE C=CC1(C[C@H](NC)c2ccc(-c3cccs3)s2)CCC1 2205875863 BHKLUBUMJPJDLD-ZDUSSCGKSA-N 303.496 5.484 30 10 DKEE C=CCCCCCCC[C@@H](O)C1CC(OCc2ccccc2)C1 2211146740 QYIOQTNVHSPDSH-XVAXZDLZSA-N 316.485 5.259 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2229551565 FBTKGGQZQYHMSV-MRXNPFEDSA-N 302.289 5.918 30 10 DKEE CCCCCCCCCCCCOCc1nnsc1Cl 2239491640 CBDPFWMBDSRLRZ-UHFFFAOYSA-N 318.914 5.629 30 10 DKEE C[C@@H]1CC=C(C(=O)c2sc(Cl)cc2Br)CC1 2244971213 KGCLDNYPKSAREI-SSDOTTSWSA-N 319.651 5.093 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccc(Br)c(C)c1 2259194760 XBXUDLBDFLTANU-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCC[C@@H](O)C(=O)c1cc(Cl)cs1 2274595929 ZHYOCUPKLKTORY-CYBMUJFWSA-N 302.867 5.086 30 10 DKEE CCCCCCC[C@@H](O)[C@H](N)c1cc(Cl)c(Cl)cc1C 2284845850 RYKDCMCENCLISX-HZPDHXFCSA-N 318.288 5.023 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(F)c(F)cc1Cl 2287467478 NTOWKCMPAGNEGX-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2289697625 JGKGAXKNZSEBAA-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@H](NC)c1cc(Cl)cs1 2290438333 CBQAETCZWYZRLK-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE C=CCCCCC[C@H](OCCC(=O)O)c1cscc1Cl 2292699267 NLYRUDWYDOULNI-AWEZNQCLSA-N 316.850 5.070 30 10 DKEE Cc1ccc(C(=O)C=CNc2cc(Cl)cc(Cl)c2)cc1C 2296876268 HKXIVSXAKYEGNO-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(F)cc1C=O 2362451106 IRPYRVJZOGVQTC-UHFFFAOYSA-N 314.853 5.910 30 10 DKEE C#CCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807594 KIUPAJKBKQJYGJ-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377412331 VYMLTYHYHSBQHJ-BZNIZROVSA-N 318.263 5.255 30 10 DKEE CCC(C)(C)C1CCC(Nc2ccc(Cl)c(C#N)c2)CC1 36972908 DRJSCNIFWKEHRL-UHFFFAOYSA-N 304.865 5.619 30 10 DKEE CC(C)c1cccc(C(C)C)c1OC[C@H](CS)C(C)(C)C 94585526 SYWXLHQHDISBCW-OAHLLOKOSA-N 308.531 5.904 30 10 DKEE COc1ccc(/C=C/C(=O)c2ccc(Cl)c3ccccc23)cc1 96887604 ACCKGUGWKJOFKE-MDWZMJQESA-N 322.791 5.398 30 10 DKEE C(=N\C(/N=C\c1cccs1)c1cccs1)\c1cccs1 100218173 JFBOACJJWSHXAS-APGQMXJTSA-N 316.476 5.108 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1csc2ccccc12 132875953 JXSLEPSNDSXDMX-QGZVFWFLSA-N 303.515 5.912 30 10 DKEE CCCCCCCCN(Cc1ccccc1)C(=O)c1ccco1 138269350 HUYADJSFXCFNRZ-UHFFFAOYSA-N 313.441 5.283 30 10 DKEE CCCC(CCC)C(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 211823957 MXAVPEOWXKVKOZ-CYBMUJFWSA-N 312.240 5.386 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc2sccc2s1 229276466 HZJODQYYFYMZFP-CQSZACIVSA-N 310.528 6.527 30 10 DKEE CCCCCCC[C@H](NCC)c1cnc(C(F)(F)F)s1 232931995 FZENOHWLJKDZNF-NSHDSACASA-N 308.413 5.173 30 10 DKEE Cc1ccc(C)n1-c1ccc(C=Nc2ccc(Cl)cc2)cc1 254397945 GGEQEOJWHLPTLV-UHFFFAOYSA-N 308.812 5.498 30 10 DKEE N#C[C@H](CNc1cccc(OCc2ccccc2)c1)C1CCCC1 397211330 XBYQYJYYYSBUNR-LJQANCHMSA-N 320.436 5.007 30 10 DKEE N#Cc1cc(-c2ccccc2C(F)(F)F)ccc1C(F)(F)F 514261010 ZFYWNLKZGJUDCS-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C=C([C@@H](NCCC)c1cc2cscc2s1)C(F)(F)F 694324940 DRDJZZIKSJMTFF-GFCCVEGCSA-N 305.390 5.122 30 10 DKEE CC(C)(C)C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698455589 DSAIPTYIRFBSGG-IBGZPJMESA-N 322.493 5.275 30 10 DKEE CC[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698849095 BTCCJFFJKYHNRB-WFASDCNBSA-N 322.836 5.020 30 10 DKEE CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698854813 FYZFHEDLFKQKBH-KRWDZBQOSA-N 322.836 5.164 30 10 DKEE CCCCCCCN[C@H](C)c1c(Cl)ccc(F)c1Cl 703707802 FXDDMNRACIESCA-LLVKDONJSA-N 306.252 5.754 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1c(C)cccc1Br 715774036 NTDNYSASOGNTEY-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=CCC(CC=C)Sc1ncc(Cl)cc1Br 1899433909 SWZFBXNNWNRSKU-UHFFFAOYSA-N 318.667 5.110 30 10 DKEE C=CCCN(Cc1ccccc1)CC(C)(C)Cc1ccccc1 1901235501 JXTIVAIWIZBXIR-UHFFFAOYSA-N 307.481 5.334 30 10 DKEE C=C(C(C)(C)C)[C@]1(O)CCC(C)(C)C[C@@H]1OCc1ccccc1 1977458645 BRCWAFIORZVXMA-GHTZIAJQSA-N 316.485 5.115 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)[C@@H]1CCOC1 1995315499 GPLPRPPMGZQZOI-OAQYLSRUSA-N 315.501 5.194 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(Br)co1 2049667223 LYZWXNORVOQRPG-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(Cl)sc2Cl)C1 2074835776 VTTPAISYOIJGTH-YGRLFVJLSA-N 302.270 5.708 30 10 DKEE C=CCCCCCC[C@H](NC)c1cccc(C)c1Br 2141905741 NZSZEGKHTQZEOG-INIZCTEOSA-N 324.306 5.545 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1ccsc1Cl 2148588117 NLLRPVKFHSALSS-CABCVRRESA-N 317.926 5.164 30 10 DKEE C#CC(C)(C)C[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2167610227 URVKKQJQLNNEFA-CQSZACIVSA-N 303.858 5.118 30 10 DKEE C#CCCCCC(=O)c1ccc(-c2cccc(Cl)c2)s1 2173469407 ZXXHSBVMPGFUEO-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H]1CS[C@@H](C)[C@H](C)S1 2207433919 CVVUWMBBLFNSKU-QAETUUGQSA-N 315.592 5.246 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cc(Cl)cc(Cl)c1 2235541921 MQJNNVBSMGBXSN-MRXNPFEDSA-N 315.288 5.415 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2236310889 RRRMIVRLZJOZQT-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CCCCCCCC[C@](C)(N)c1cnc(C(F)(F)F)s1 2240629616 VOQBTVHMZQAGMY-ZDUSSCGKSA-N 308.413 5.086 30 10 DKEE C=CC[C@H](C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243556651 UFJRVFDVGLHIOA-LBPRGKRZSA-N 317.429 5.045 30 10 DKEE C=C(C)CCCCNCc1ccccc1OCc1ccccc1 2244631626 PQAQODUTUJBPFI-UHFFFAOYSA-N 309.453 5.102 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(Br)sc1C 2250156214 JBYMGPFCUUQXRU-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)nc2Cl)CCCCC12CCC2 2286802992 PQENJBTZYRZRJI-MRXNPFEDSA-N 309.240 5.185 30 10 DKEE Cc1ccc(C(=O)C=CNc2cc(Cl)ccc2Cl)cc1 2297454309 LBUATYWOMRHGLB-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE O=C1C(=Cc2cccc3ccccc23)CSc2ccccc21 2297454685 PZORPLRUBLPFBE-UHFFFAOYSA-N 302.398 5.212 30 10 DKEE C=CCC(CC=C)OCc1ccc(Cl)c(Br)c1 2298827850 CKWRMXLNTMIZCN-UHFFFAOYSA-N 315.638 5.140 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](SCc2cccc(Br)c2)C1 2318732425 OIWILDPOWATDQO-UXIGCNINSA-N 324.287 5.011 30 10 DKEE C[C@H](CCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N)C(F)F 2363933842 CEHFDUKTRLQRGA-YIYPIFLZSA-N 303.462 5.365 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1ccc(Cl)c(Cl)c1C 2364230411 MEMOWUXELNOSQG-QGZVFWFLSA-N 316.316 5.922 30 10 DKEE C=CCCCCC[C@H](NCCC)c1ncc(C(F)F)s1 2369611501 VSJZELWUHKYLPT-LBPRGKRZSA-N 302.434 5.258 30 10 DKEE C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCc1ccoc1 1639404 ZQHJXKYYELWEOK-IZBJGVDFSA-N 316.441 5.076 30 10 DKEE C[C@H](Nc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1 35134992 KMOWRVCOQLUTFN-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCc1c(C)nn(C(=O)C2CCCCC2)c1C 100458840 HCBWLZDDVGNOTJ-UHFFFAOYSA-N 318.505 5.623 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1c(F)cccc1F 109901185 GJLOWDPNCIEORQ-LBPRGKRZSA-N 305.393 5.416 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccccc1Br 114871932 ICGXWAPBONNMOK-MRXNPFEDSA-N 313.279 5.407 30 10 DKEE CCCCCCCCCCCC[C@]1(O)CCCS[C@H]1C 122392522 IVDHMIPZDZULSD-ROUUACIJSA-N 300.552 5.944 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2cc3sccc3s2)cc1C 123598912 UOHNHOFHHSNJML-CYBMUJFWSA-N 311.431 5.070 30 10 DKEE C#CC[C@H](CC)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 129741389 JMGWTTNHZVSWSN-UWVGGRQHSA-N 304.648 5.099 30 10 DKEE C=C(CNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 134358169 FFWCTDQXPAOLIP-UHFFFAOYSA-N 312.627 5.772 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 164787414 HKQLBZJHLYWDSZ-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE Cc1cc(C)cc(-n2c(C)cc(C=Nc3ccccc3O)c2C)c1 254386948 KUHDOLBWUJBLHM-UHFFFAOYSA-N 318.420 5.167 30 10 DKEE CCn1c(C)c(/C=N\[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc21 254821773 HWTLFJFPPLEFEW-ABYMTETLSA-N 308.469 5.213 30 10 DKEE Cc1cccc(C#N)c1Nc1cc(Cl)cc(Br)c1 308359481 XDPSVUGMDBVTGP-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCC[C@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 398154414 FUZJZAPMNHENKZ-QWRGUYRKSA-N 304.236 5.528 30 10 DKEE CC[C@@H](C)CC(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405909474 FOBQQYNFGMMLMF-FWLQQBITSA-N 317.429 5.052 30 10 DKEE C[C@@H](CC1CCCCC1)Nc1ccc(C#N)c(Br)c1 689808994 OWWDMPBNDAZTKS-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CC(C)C(C)(C)CSc1ccc(C#N)c(Br)c1 718787458 ICYGHGDDFIZDQD-UHFFFAOYSA-N 312.276 5.095 30 10 DKEE CCCC1CCC(C=O)(C[C@@H](C)COCc2ccccc2)CC1 719590813 FLYCPAADPFCRIH-LWEYNCJUSA-N 316.485 5.405 30 10 DKEE Cc1cc(C#Cc2cc(C(F)(F)F)ccc2Cl)ccc1F 1614826552 AUNBROPFLVGHOI-UHFFFAOYSA-N 312.693 5.206 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(-c2ccc(N)cc2)cc1 1866090233 RKIPHOPOHFFUOA-UHFFFAOYSA-N 324.468 5.625 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)C[C@@H](CS)C(C)(C)C 1932038681 JJSBACGFGMKDQX-KRWDZBQOSA-N 307.547 5.127 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Br)cs1 1996465977 FFEZPMGBAYKQFP-SMDDNHRTSA-N 316.308 5.154 30 10 DKEE Cc1c(Cl)cc(C(=O)C=C2CCCC2)cc1Br 2007984873 VHIJBMSSVFLBCL-UHFFFAOYSA-N 313.622 5.094 30 10 DKEE CCn1c(C)c(C=N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc21 2040464843 HWTLFJFPPLEFEW-XPYUAMARSA-N 308.469 5.213 30 10 DKEE CC#CCCC[C@@H](NCCC)c1scc(Cl)c1Cl 2073672144 RRGGXAPOIMYFFG-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2116657670 HLEPMJWJAPLTRW-DOMZBBRYSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCCCNc1cc(Cl)cc(Cl)c1 2142444981 ACMOEVZVQZAVFQ-UHFFFAOYSA-N 300.273 6.322 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ccc(Cl)c(Cl)c2)CC1 2181673541 ODCLKZWFKWKCBL-CYBMUJFWSA-N 311.252 5.949 30 10 DKEE CCCCCCCCCN1CCCC[C@]1(C)P(C)(C)=O 2205219843 KRXKGJVMUWQAKT-KRWDZBQOSA-N 301.455 5.562 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(C)c(Br)c1C 2213749362 ZUQDAFALTXXYCP-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE C=CCCCCCCCNCc1cccc(Br)c1 2220091881 IUWKINGMENWNLW-UHFFFAOYSA-N 310.279 5.065 30 10 DKEE N#C[C@H](Nc1ccccc1)c1c(Cl)ccc(Cl)c1Cl 2339178922 FIZSWJHZZXKSPY-LBPRGKRZSA-N 311.599 5.324 30 10 DKEE CC[C@@H]1CC[C@@](C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2366848001 HRNKTQFYNJZUBK-DYVFJYSZSA-N 313.268 5.712 30 10 DKEE C[C@@H](Nc1ccccc1C#N)c1cc(F)c(Cl)cc1Cl 35019669 RIYSBPVKUSCWCP-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#Cc1ccc(Sc2cc(F)ccc2F)cc1C(F)(F)F 35676254 GUXWKJSRWJOUJT-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE COc1ccc(C)cc1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 83204957 GCFSGCJQCROXPI-FNORWQNLSA-N 321.203 5.207 30 10 DKEE N#CC1(Sc2ccccc2Br)CCCCCC1 90246265 VYHKAWLQIFZNFZ-UHFFFAOYSA-N 310.260 5.158 30 10 DKEE CCCCCCCCO[C@H](c1ccccc1Cl)[C@@H](N)CC 109988724 OORQOMZQPLJPEE-ZWKOTPCHSA-N 311.897 5.496 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cccc(C)c1Cl 157908337 KUGWERSRTBPABM-SFHVURJKSA-N 309.925 6.440 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(F)cc(Cl)c1 161250957 PBGVTMUMAKZCFH-QGZVFWFLSA-N 300.845 6.043 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc2sccc2s1 162357997 FNUANFIVSNAYSV-AWEZNQCLSA-N 309.544 6.493 30 10 DKEE N#Cc1cc(Br)cc(Nc2ccc3ccccc3c2)c1 227614355 FWMMJLZZYVHRDH-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCC[C@H](O)c1c(F)ccc(Br)c1F 232943249 OHLZWXLXVYRCIT-LBPRGKRZSA-N 321.205 5.121 30 10 DKEE Fc1ccc(-c2csc(NN=C/C=C/c3ccccc3)n2)cc1 254307991 HLGOXGBDTNWXIK-QQGHRWSRSA-N 323.396 5.060 30 10 DKEE C=CC(C)(C)CCN[C@H](Cc1cccs1)c1cccs1 706439164 NUUDLRSPQZLFFG-OAHLLOKOSA-N 305.512 5.285 30 10 DKEE C=C(Cl)C[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 710590616 LUTAUGLWPUJSNN-GFCCVEGCSA-N 306.664 5.047 30 10 DKEE CCCCCCCCNC(=O)c1ccc(SCC(C)C)cc1 1859664834 OOJKKQZPOAMIEA-UHFFFAOYSA-N 321.530 5.525 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(CC)cc1 1922064399 FDBCBUJTOMABLW-QFIPXVFZSA-N 323.480 5.063 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)CC1(CS)CCCC1 1931998030 GPMWAHHLOXBVMY-KRWDZBQOSA-N 305.531 5.023 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(C)sc1Br 1951015857 FSVFMOXSQKOZRE-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=C(C)CCCN[C@@H]1CCC(C)(C)C[C@H]1OCc1ccccc1 1977490737 VWOFSWWABIFQNY-WOJBJXKFSA-N 315.501 5.096 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCCC[C@@H]1C 2027194309 ILAPJWPPWDGPSB-BLLLJJGKSA-N 306.247 5.020 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Br)ccn1 2038244923 LNZAEMFVVPIMEU-OAHLLOKOSA-N 314.267 5.018 30 10 DKEE C#CCCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 2053240550 OFPIGTWIKPSPME-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCCCCCC[C@@H](N)c1cc(F)c(Br)c(F)c1 2086137873 SGKZUINEGSCTBV-CYBMUJFWSA-N 320.221 5.088 30 10 DKEE N#C[C@@H](c1cccc(Br)c1)[C@@H]1CCC2(CCCC2)C1 2098998535 MFVQIVZUOIXKOR-ZBFHGGJFSA-N 318.258 5.417 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cccc(Br)c1 2113420737 VRAFQXWIZAWZGE-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE CCN[C@H](CC#C[Si](C)(C)C)c1cc2sc(C)cc2s1 2187480888 ORPVCEMEWGMANF-CYBMUJFWSA-N 321.587 5.193 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc2c(s1)CCSC2 2206903217 QFXNOBWMDATJOS-HNNXBMFYSA-N 309.544 5.325 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1ncc(Cl)s1 2237972048 FBAZHPNRLQGCCT-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccsc1Br 2250181826 RYJVLWCIJIGVPF-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE O[C@H](CC#CC1CCCC1)c1ccc(-c2cccs2)s1 2289902049 WRXORPCBFUYRED-CQSZACIVSA-N 302.464 5.094 30 10 DKEE CCSc1ccc(Cl)cc1C(=O)C=Cc1ccc(C)cc1 2295967840 BQRVHHJRGFOFQN-UHFFFAOYSA-N 316.853 5.657 30 10 DKEE CCCCc1ccc(NC=CC(=O)c2ccc(C)c(C)c2)cc1 2296876347 NLMSQVRUDBARRP-UHFFFAOYSA-N 307.437 5.455 30 10 DKEE CCCCCCCCNC(=O)C=C(C)c1ccc(CC)cc1 2321154276 HWBTTYBQZKPZTO-UHFFFAOYSA-N 301.474 5.129 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345160821 DSIRQQBCOMEKSN-CABZTGNLSA-N 307.837 5.592 30 10 DKEE C=CC[C@H]1CCC[C@@H]1Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2362235038 KCSKSWVUKKGQMM-CABZTGNLSA-N 315.200 5.058 30 10 DKEE O=C(/C=C\c1ccccc1)/C=C/c1ccc(-c2ccccc2)s1 6228042 RBQUVPCPWWHCTJ-RCWDKCQFSA-N 316.425 5.711 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCC[C@H](CCC)CC1 86944007 OIRSHDKLQHFHIH-DLBZAZTESA-N 303.515 6.126 30 10 DKEE CCCCCCCCCC[C@@H](O)CCCCCCC(=O)O 100167729 YYWHSFVJGXJTKD-QGZVFWFLSA-N 300.483 5.303 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Br)cs1 112721339 WVNJIVYONICUTC-ZDUSSCGKSA-N 319.308 5.685 30 10 DKEE CCCCCCCCCCNc1c(Cl)cc(F)cc1Cl 123326647 WCVCCJAHRFEXQN-UHFFFAOYSA-N 320.279 6.685 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(Cl)cnn1CCC 159034101 UCRTVNAIJAMZTN-OAHLLOKOSA-N 300.874 5.121 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H]1CS[C@H](C)[C@H](C)S1 300421319 COTWNNLQWCOFOE-QZWWFDLISA-N 317.608 5.341 30 10 DKEE CCCCCCCOC[C@@H](NC)c1cc(Cl)ccc1Cl 709515022 GNMBIHWEUSQERQ-MRXNPFEDSA-N 318.288 5.241 30 10 DKEE CC[C@@](C)(C#N)[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921058618 CAGMWTOAEZHXSS-CVEARBPZSA-N 305.830 5.042 30 10 DKEE C=C(COCc1ccccc1)C1(O)CCC2(CCCCC2)CC1 1978506698 SSIGEKQCTHRRPX-UHFFFAOYSA-N 314.469 5.015 30 10 DKEE C=CCCCCCCCC[C@@H](COCc1ccccc1)NCC 1995328941 WQOKDQOEBUCAFN-NRFANRHFSA-N 317.517 5.488 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(C)cc(C)c1C 2024055416 NMBGJQGLEIIJDH-QFIPXVFZSA-N 323.480 5.035 30 10 DKEE CCCCC[C@@H](CC)Nc1cccc(Br)c1C#N 2073286592 QIKOKLRWGQBWSX-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE C#CC[C@@H](COc1c(Cl)cc(Cl)cc1Cl)C1CC1 2075964210 IYHFSBBZPITEGL-JTQLQIEISA-N 303.616 5.075 30 10 DKEE Cc1cccc(C)c1-n1nc(C2CCCCC2)c(C#N)c1Cl 2080276711 PETYNFMLKGGDCR-UHFFFAOYSA-N 313.832 5.062 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Br)cc1C 2102110027 CUIKILXAEQMOAQ-SUMWQHHRSA-N 324.306 5.401 30 10 DKEE CC1(C)CCCC[C@]1(C)Nc1ccc(Br)cc1C#N 2103593740 DDEZONMPWLXNIO-INIZCTEOSA-N 321.262 5.092 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2cc(Cl)sc2Cl)C1 2112230865 GMGLFOHVZRMXLH-SMDDNHRTSA-N 318.269 5.198 30 10 DKEE C=CCCCCCC[C@H](NN)c1ccc(Cl)c(Cl)c1 2141920183 DCOUCIGSXGYQPZ-HNNXBMFYSA-N 301.261 5.024 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1cc(Cl)ccc1Cl 2148590549 VBMFPJXQZXNNID-CVEARBPZSA-N 318.288 5.105 30 10 DKEE CCCCCCCCC[C@@H](NC)c1nccc(Cl)c1F 2154330550 RYCLKTDZANFSLQ-CQSZACIVSA-N 300.849 5.275 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cccc(Cl)c2Cl)CC1 2157106186 MYCRXHAMMNGZMI-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE CC#CCCC[C@@H](NCCC)c1ccsc1C(F)(F)F 2194058766 JGNKQLVMITYEID-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE CCCCCC#CC[C@H](NC)c1cc2sc(C)cc2s1 2203831537 DTKAGXLRHSCQIO-AWEZNQCLSA-N 305.512 5.506 30 10 DKEE CCCCCCCCCCOCc1cc(Br)no1 2223237523 HPXLVOYBCUAMCD-UHFFFAOYSA-N 318.255 5.094 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Br)cs1 2250157017 RGNZOMWCVSYRJD-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE CCC[C@H](CS)CSCC1(C)CC(C(F)(F)F)C1 2259111781 JIJFRJAMQCPWPF-VOMCLLRMSA-N 300.455 5.044 30 10 DKEE Cc1cc(Nc2cccc(Cl)c2C#N)c(Cl)cc1Cl 2277496943 FKXJJHGVAMUEBS-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCOc1cccc(C=CC(=O)c2cccc3ccccc23)c1 2323203240 JGVBZYPHNSSUEV-UHFFFAOYSA-N 316.400 5.525 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2324545442 KTMFNESKKGAFNS-UHFFFAOYSA-N 320.432 5.463 30 10 DKEE C#CCCCCCCN[C@H](CC)c1ccc(Br)cc1 2338793449 VILHWBNSVBYVDL-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCC(CC=C)[C@H](O)c1c(Cl)cccc1C(F)(F)F 2364086646 NAQOGSBCGSZIEE-AWEZNQCLSA-N 304.739 5.161 30 10 DKEE C=C(CC)C[C@H](OCCCN)c1ccc(Cl)c(Cl)c1C 2365978025 LDIICQZXOLDCSK-HNNXBMFYSA-N 316.272 5.065 30 10 DKEE N#C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCC12CCC2 2366901359 XWGJQSUPSIGQRD-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE CCCC(CS)(CCC)COC[C@H]1CC[C@H]1C(C)(C)C 2369129583 WNFQORZZQSAXND-HZPDHXFCSA-N 300.552 5.592 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377414426 WTJHOOIKMAQCAY-YPMHNXCESA-N 318.263 5.255 30 10 DKEE CCCCN(CCCCCCCCCCC#N)c1ccncc1 5309098 SJGIMAFPEJVZEC-UHFFFAOYSA-N 315.505 5.723 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 14463773 MYQORDGLFQMFFD-AAIMPIBUSA-N 322.411 5.538 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 37344551 BMBAAZAEMJVZKV-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE CCCCCCC[C@H](C)N[C@H]1CCSc2ccc(F)cc21 59427195 BBUYKGCSXJHSBY-YOEHRIQHSA-N 309.494 5.701 30 10 DKEE CCSc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 83192733 FHBHNYKVCZOVQX-LFYBBSHMSA-N 302.826 5.348 30 10 DKEE N#Cc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 100033570 YGLJEWQXTHIOSD-XYUREOLFSA-N 310.360 5.724 30 10 DKEE O=C1/C(=C\c2cccc(Br)c2)CC[C@@H]1C1CCCC1 104376389 FISNCXVKVOKPLG-SCOADAFUSA-N 319.242 5.002 30 10 DKEE CCCCCCCCC[C@@H](CNC)Cc1cccc(Cl)c1 110917448 UJTUVNMDOKJFDZ-GOSISDBHSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCNc1c(Cl)cc(F)cc1Cl 123955472 YETHILIBUOJEIJ-UHFFFAOYSA-N 306.252 6.295 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cccc(Br)c1C 125689691 KTWFKLKOESCKHV-INIZCTEOSA-N 310.279 5.155 30 10 DKEE Cc1ccc(Br)c(C(=O)C2=CCCCCCC2)c1 235841109 OLCJEHVSALCRGO-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE Cc1oc(N=Cc2c3ccccc3cc3ccccc23)c(C#N)c1C 254565644 AAPOOHOCYXMIFQ-UHFFFAOYSA-N 324.383 5.825 30 10 DKEE C#CCCCCCNc1ccc(OCc2ccccc2)cc1C 686686041 VECADRMIYQRSLG-UHFFFAOYSA-N 307.437 5.180 30 10 DKEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 710787188 RLBTVKLBYXIGID-AWEZNQCLSA-N 320.408 5.040 30 10 DKEE CCCCCCCCNc1ccc(Br)cc1OC 712280808 JSONFDWBHHKRAI-UHFFFAOYSA-N 314.267 5.230 30 10 DKEE N#Cc1c(C(F)F)ccc2sc(SC(F)(F)F)cc12 725291227 HNGCHXHXQORZEF-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CC/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(CC)cc1 821218455 RNYXDTLTACIIHO-XTQSDGFTSA-N 323.480 5.877 30 10 DKEE Cc1cc(C)cc(NN=Cc2ccc(-n3c(C)ccc3C)cc2)c1 1088739772 VIKSFOFCEXIUPK-UHFFFAOYSA-N 317.436 5.157 30 10 DKEE CCCCCCCCCCCC(=O)N(CC)CC1CCCC1 1866332391 SEUHYWJPLRGERH-UHFFFAOYSA-N 309.538 5.946 30 10 DKEE CCOc1ccccc1/C=C/C(=O)c1cc(C(C)(C)C)ccc1C 1874590187 XLHKUPHDOSRCPW-WYMLVPIESA-N 322.448 5.587 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Br)ccc1F 1920442548 HQYAXZYASKHYJM-OAHLLOKOSA-N 316.258 5.123 30 10 DKEE C=CCCCC[C@@H](O)c1cc(Cl)c(C)cc1Br 2009530232 XYVAFFKQVCVUGM-CQSZACIVSA-N 317.654 5.191 30 10 DKEE C=C1CC(CN[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 2029667471 NEIJCMQQRZWNJD-VIFPVBQESA-N 304.648 5.264 30 10 DKEE COc1ccc(C=N[C@H](c2ccc(C)cc2)c2cccs2)cc1 2040481201 KYDQUONPKBCENH-HXUWFJFHSA-N 321.445 5.274 30 10 DKEE FC(F)c1c(Cl)cc(C(F)(F)F)cc1OC(F)(F)F 2054961274 FEXVJQRCMWNBKZ-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CSc1cc(C(F)F)c(C(F)(F)F)cc1C(F)(F)F 2060212857 YEWJLBLTWCNYRE-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CCCCCCCCC[C@H](O)C(=O)c1cscc1Cl 2090883109 YQCIRJYMHICOTI-AWEZNQCLSA-N 302.867 5.086 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl 2096545414 MELCORMZIHSOKH-MNOVXSKESA-N 304.236 5.528 30 10 DKEE C=C1CC(CNC(C)(C)C)(Cc2cc(Cl)ccc2Cl)C1 2159595457 SFFCJYRPBOWCID-UHFFFAOYSA-N 312.284 5.260 30 10 DKEE CCCC[C@](C#N)(CC)[C@@](C)(O)c1cc(Cl)ccc1Cl 2164478882 BWIYBEDLFLAEIU-HOTGVXAUSA-N 314.256 5.311 30 10 DKEE Cc1cc([C@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)sc1Cl 2165373645 POQZXBSSBDHAOT-BBRMVZONSA-N 311.878 5.244 30 10 DKEE C#CC(C)(C)C[C@H](NCC)c1cc(-c2cccs2)cs1 2167609436 QKADADYWQISSNO-AWEZNQCLSA-N 303.496 5.177 30 10 DKEE CC#CCCC[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2194062373 CWRXZZWABVYVRJ-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1ncc(Cl)cc1Cl 2203791966 ONNDEIBNTMLMDC-OAHLLOKOSA-N 313.272 5.013 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)s1 2203955657 BVMMNTZXKZFEPZ-ZDUSSCGKSA-N 324.232 5.107 30 10 DKEE C=CCCCCCCCNCc1cscc1Br 2214619816 WVTZDFLLXQEDKL-UHFFFAOYSA-N 316.308 5.127 30 10 DKEE CCCCCCCCCCCOCC1(Br)CC1 2216926171 QJPKWYFHIZAUEH-UHFFFAOYSA-N 305.300 5.461 30 10 DKEE CCCCCCCCOc1cc(Cl)c([N+](=O)[O-])cc1Cl 2234444913 RUXYMNUWOQODRH-UHFFFAOYSA-N 320.216 5.641 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1sc(Cl)cc1Br 2244975429 CGSZZSUKJRUOEF-KCJUWKMLSA-N 322.699 5.027 30 10 DKEE CC1CC2(C1)CC(C#N)(Sc1cccc(Br)c1)C2 2254135120 DZPAILKLJUNCER-UHFFFAOYSA-N 322.271 5.014 30 10 DKEE C=CCCCCCCCSCc1csc(CNCC)c1 2287196726 XVIOWJDIJVDOAW-UHFFFAOYSA-N 311.560 5.617 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1ccc(Cl)cc1Cl 2292800791 RVQMVKQUCFKQRR-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1csc(Cl)c1 2295682243 OGFDGBKCZDUOIM-HOTGVXAUSA-N 317.926 5.293 30 10 DKEE C=C(C)C[C@@H](NCC)c1c(C)c(C)c(Br)c(C)c1C 2347958493 UKISUJLCTYOVFD-OAHLLOKOSA-N 324.306 5.300 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2370498333 URUOAALMZIPEMT-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2370502507 XZOZRMJPFLDFRM-KGLIPLIRSA-N 305.771 5.351 30 10 DKEE Cc1ccc(-c2csc3nc(C(C)(C)C)c(CC#N)n23)c(C)c1 36255861 VSPNYWOOROCUOQ-UHFFFAOYSA-N 323.465 5.043 30 10 DKEE CCCC(C#N)(CCC)C(=O)Nc1ccc(Cl)cc1Cl 44809401 WKRYXOUCLIOHLW-UHFFFAOYSA-N 313.228 5.042 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1C(C)C 83192666 MIVUVBIDKSPIOY-YRNVUSSQSA-N 312.384 5.244 30 10 DKEE N#Cc1c(Cl)cccc1Sc1ccc(Cl)c(Cl)c1 88304043 DWERQQOUBGPEQL-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE C=CCn1c(-c2ccccc2)cs/c1=N/c1c(C)cccc1C 102962808 BFERSJFCSZSXSW-QZQOTICOSA-N 320.461 5.252 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccccc1Br 109731250 XAZCSHZKFIQMNQ-MRXNPFEDSA-N 312.295 5.460 30 10 DKEE CCCCCCCC[C@H](N)c1cc(F)cc(Br)c1 117662528 JXDREWAPMHNSQX-HNNXBMFYSA-N 316.258 5.339 30 10 DKEE CCCCCCCCCC1=NNC(=O)[C@@H]1CCCCCCCC 166259334 ZBMKFTHTQADDFM-GOSISDBHSA-N 322.537 5.980 30 10 DKEE C=C(C)CCN1CC[C@@](C)(C[Si](C)(C)C)c2ccccc21 195800318 JMVYHPYUXVQLAH-IBGZPJMESA-N 301.550 5.459 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(C)c(Br)c(C)c1 228392951 WFIAOBDOBJDRLO-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE Cc1ccc(C=Nc2ccccc2N=Cc2ccc(C)cc2)cc1 254523449 KCXUUUSKZSOZKI-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE Cc1ccccc1C=Nc1ccc(N=Cc2ccccc2C)cc1 254816535 ICSJVBFJTNZHLK-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE CC1(C)OB([C@H]2C[C@H]2c2ccc(-c3ccccc3)cc2)OC1(C)C 310636518 QYUNZSAOMOOFPS-OALUTQOASA-N 320.241 5.303 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(OCc2ccccc2)cc1 383779876 JFXIHYYWCMOAND-GHTZIAJQSA-N 320.436 5.150 30 10 DKEE CCCCCCCCCNCc1ccc(Cl)c(Cl)c1 689266923 JYZQCTPBKNDVHS-UHFFFAOYSA-N 302.289 5.834 30 10 DKEE CCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698382873 ZLUAFOMGPJBLGX-VQIMIIECSA-N 324.509 5.665 30 10 DKEE CC(C)CC(C#N)(CC(C)C)N(C(=O)OC(C)(C)C)C1CCC1 712351041 BTNPFQABHRUJBB-UHFFFAOYSA-N 322.493 5.131 30 10 DKEE CC/C(=N\OCc1ccc(C#N)cc1)c1ccc(C(C)C)cc1 821218574 YRVCBNOBDYPPCO-LSDHQDQOSA-N 306.409 5.013 30 10 DKEE CCC(=CC(=O)c1ccc(Cl)c(Br)c1F)CC 1947915244 CCHOIYJZJQVDJA-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(Br)cc1Cl 2011357054 LHVUDQSSHGIDOA-ZDUSSCGKSA-N 320.633 5.017 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2ccc(Br)cc2C)C1 2125728344 FXDXRSRJQLVSIA-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE C=CCCCCCCCCCNCc1cnc(Cl)s1 2142431861 OFWIXMJCFNOOEV-UHFFFAOYSA-N 300.899 5.193 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](NC)c1cc(Cl)sc1C 2154430912 CNOIZOQAASGKQH-HZPDHXFCSA-N 317.926 5.082 30 10 DKEE C=C([C@H](NCCC)[C@@H]1CCCC(F)(F)CC1)[Si](C)(C)C 2155808363 XZZNWQLMUJEZDQ-CABCVRRESA-N 303.513 5.004 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cnc(Cl)cc2Cl)CC1 2157110012 BQJXEBRUSCQTTD-INIZCTEOSA-N 314.256 5.107 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(F)c(Cl)c1F 2164213518 AAKDYTAGDBFPPN-MEDUHNTESA-N 301.808 5.261 30 10 DKEE CCCC#CC[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2203834258 QBRGJEAYTNJZHW-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 2206988302 CFLKDASMOUQVBD-MRXNPFEDSA-N 319.247 5.867 30 10 DKEE CCCCCCCC[C@@H](C)NC1CC(OCc2ccccc2)C1 2212667596 MNDHLYHSFPWWKY-KMFTYDHNSA-N 317.517 5.463 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1ncc(Cl)s1 2227270761 IGHAUPHGMHDZAB-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl 2234057239 MPXBVUZJZYYOFO-RISCZKNCSA-N 312.240 5.242 30 10 DKEE C=CCSc1ccccc1NCc1sc(C)c(C)c1C 2236825433 BGROXYUSQVHKNH-UHFFFAOYSA-N 303.496 5.564 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)cc(F)c1Cl 2239689469 WOJNDSPSZUTCBC-OAHLLOKOSA-N 320.279 6.144 30 10 DKEE CCCCCCCC[C@@](C)(N)Cc1cc(Cl)cc(Cl)c1 2240616271 OSSSZKOUVMNMMS-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE C=CCCCCCCCSc1ccnc(Cl)c1[N+](=O)[O-] 2287070971 WHEPCTYIJRHPCD-UHFFFAOYSA-N 314.838 5.262 30 10 DKEE FC(F)(F)c1ccc(COCCCCCCCS)cc1 2294697660 SNVQREHADKNUGQ-UHFFFAOYSA-N 306.393 5.102 30 10 DKEE CCC(=NOCc1cc(Cl)ccc1F)c1ccc(F)c(C)c1 2330280464 CVZDZYOTUOYYNV-UHFFFAOYSA-N 323.770 5.258 30 10 DKEE CCCCCCC[C@@H](O)Cc1ccc(Cl)c(Cl)c1C 2338897656 VOBCJWGPKDDAFF-CQSZACIVSA-N 303.273 5.566 30 10 DKEE O=C(C1=CCC(F)(F)CC1)c1c(Cl)cc(F)cc1Cl 2340790523 VYAUGQZZNYSWLM-UHFFFAOYSA-N 309.114 5.061 30 10 DKEE C=C([C@@H](NCC)c1c(Cl)cc(F)cc1Cl)[Si](C)(C)C 2340793648 GTKYELBIRZHQOC-CQSZACIVSA-N 320.311 5.217 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1cc(Br)cc(C(C)C)c1 2344398953 ZIMLTCGIWQOBPX-MRXNPFEDSA-N 324.306 5.435 30 10 DKEE C=C([C@H](NCC)c1cc(F)c(Cl)cc1Cl)C(C)(C)C 2349829122 HOUHRAHEAKMAOT-AWEZNQCLSA-N 304.236 5.385 30 10 DKEE C=CC1(C[C@H](NCC)c2cc(F)c(Cl)cc2Cl)CCC1 2377330708 RMPRTBWCSNMBEZ-HNNXBMFYSA-N 316.247 5.530 30 10 DKEE C=CCOc1ccc(CNc2cc(Cl)ccc2Cl)cc1 20559795 XFKUXUFPABRAHG-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE Cc1ccc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c(C)c1 37154842 IJZDNPBMXPFVMT-SOLBZPMBSA-N 301.499 5.750 30 10 DKEE N#Cc1cc(N[C@H](c2ccc(Cl)cc2)C2CC2)ccc1Cl 37282090 AIPDFHKXVPLZFA-KRWDZBQOSA-N 317.219 5.428 30 10 DKEE CCCCCCCn1c([C@@H](N)CCCC)nc2ccccc21 104067001 FRRWXKLHIYJVRP-INIZCTEOSA-N 301.478 5.197 30 10 DKEE CCCCCCCCCCC[C@@H](CCCC(F)(F)F)NN 124432949 YWZHJJCCJUYWER-HNNXBMFYSA-N 310.448 5.472 30 10 DKEE CCCCCCCCCCCC[C@H](CSCC(C)C)NN 126611194 RVCZYWUEXFMWSC-GOSISDBHSA-N 316.599 5.519 30 10 DKEE CCCCCCCC[C@H](NCC)c1cnc2ccsc2c1 130105883 XXVQLISFSJMWRP-INIZCTEOSA-N 304.503 5.698 30 10 DKEE CCCCCCCCCCCC(=O)O[C@H](C)c1ccccc1 136702770 AOOSIBUUMZYKMN-GOSISDBHSA-N 304.474 6.212 30 10 DKEE C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)cc(CCCCC)cc1O2 141968724 NUXUDGMVYZUFNQ-CSODHUTKSA-N 314.469 5.736 30 10 DKEE in-vitro C[C@H](c1ccc(Br)cc1)C1(C#N)CCC(C)(C)CC1 394054790 ZPZKRHZVMQKGTR-CYBMUJFWSA-N 320.274 5.663 30 10 DKEE Cc1cccc(N[C@@H](C)c2c(Cl)cccc2Cl)c1C#N 400840768 DJRCRMZRUBTFSV-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCNc1ccc(NC(=O)OC(C)(C)C)cc1C 690894051 UMHMSIIOXLYNQF-UHFFFAOYSA-N 320.477 5.724 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccsc1Br 698666376 XTESKIMHEXOQSD-CYBMUJFWSA-N 318.324 5.522 30 10 DKEE CCCCCCCCC[C@@H](N)c1csc(C(F)(F)F)c1 703559864 CVAHUNNJEZZHMI-CYBMUJFWSA-N 307.425 5.907 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712611714 YKTXHAWMIYNWEZ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCC[S@@](=N)(=O)c1ccc(Cl)c(Cl)c1 1917889104 PCPKIBNZIOYUHG-GOSISDBHSA-N 308.274 5.369 30 10 DKEE Cc1cc(N(Cc2ccccc2)[C@H](C)C(C)(C)C)c(C#N)c(C)n1 1946842173 LKBHFRNBDAXREY-QGZVFWFLSA-N 321.468 5.011 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C2CCC2)C1 1946842978 UFURHMQAEAKQFB-SBHAEUEKSA-N 324.512 5.396 30 10 DKEE C=CCCCCCCN(C)Cc1cscc1Br 2026021983 OYQVMBMVWAXAIZ-UHFFFAOYSA-N 316.308 5.079 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1cc(Cl)ccc1Cl 2149864841 OJSPYEONJFEHLF-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE CCCCCCCC[C@H](N)COc1ccc(Cl)cc1Cl 2152445668 JDDBFUXFDNJVEO-AWEZNQCLSA-N 318.288 5.450 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(C(F)(F)F)cs1 2161222005 PJGUWWAMHDPWNC-ZDUSSCGKSA-N 307.425 5.907 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cccc(SC(F)(F)F)c1 2164220079 IOVRJENAKOZCTF-ZDUSSCGKSA-N 323.811 5.482 30 10 DKEE CCCCCCCCCC[C@H](O)c1csc(C(F)F)c1 2164492756 MIOUIMUTUDWTKI-AWEZNQCLSA-N 304.446 6.250 30 10 DKEE CCCCCCCCCCCCOCCCSCCN 2176290246 LRQKBIPEDYKLJM-UHFFFAOYSA-N 303.556 5.006 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccncc1Cl 2176603425 KMGTZECIOFBPMD-GFCCVEGCSA-N 304.846 5.186 30 10 DKEE C=C([C@H](NC)c1ccc(C(F)(F)F)cc1Cl)C(C)(C)C 2179251866 IURGTAYZMSWAFP-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@H](NC)c1csc(C(F)F)n1 2188749978 AZNOSMAWOSMSOK-LBPRGKRZSA-N 304.450 5.482 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cc2cscc2s1 2203807160 KTONXXGPAHKOKV-OAHLLOKOSA-N 305.512 5.587 30 10 DKEE N#C[C@H](C(=O)CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2203958668 VMIDZFNAGWMMIU-HNNXBMFYSA-N 310.224 5.140 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)c(F)cc1Cl 2204283653 COVGLDJCNAWOKV-MRXNPFEDSA-N 320.279 6.273 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc2cscc2s1 2206897393 BCLGWOQOAYLZDR-HNNXBMFYSA-N 307.528 6.140 30 10 DKEE C=CCCC(C)(C)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2225900310 GKXAFSAEUYPELL-UHFFFAOYSA-N 303.189 5.058 30 10 DKEE C=CCCCCCCCC(=O)c1cc2sc(C)cc2s1 2235534967 KYFDPOJYJLPXHO-UHFFFAOYSA-N 306.496 6.371 30 10 DKEE N#Cc1ccc(SCCCCCCCC2CC2)c(Cl)c1 2239553267 WYHZUJNPBCXGMZ-UHFFFAOYSA-N 307.890 6.054 30 10 DKEE C=CC1(CC(=O)c2sc(Br)c(C)c2C)CCC1 2247221040 BPXLHXLDTVICCL-UHFFFAOYSA-N 313.260 5.057 30 10 DKEE C=CCCCS[C@@H]1CCCCCC(F)(F)[C@H]1NCCC 2287062801 KBMCKBNHHXEUPC-CABCVRRESA-N 305.478 5.022 30 10 DKEE CC(C)=C(COCCCCCC(C)C)B1OC(C)(C)C(C)(C)O1 2301966092 ZUHDQBBKWATURP-UHFFFAOYSA-N 324.314 5.187 30 10 DKEE CCCCCc1ccc(C=CB2OC(C)(C)C(C)(C)O2)cc1 2333226472 ZNSXCABBRJIRGJ-UHFFFAOYSA-N 300.251 5.064 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2cc(Cl)c(C)cc21 2362303419 VWURVZXRGJREBR-RISCZKNCSA-N 306.862 5.204 30 10 DKEE CCCCCCC[C@H](N)CCCc1cc(Cl)cc(Cl)c1 2366931813 IYRSBYJLADUIEL-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE CCCCCCCCN[C@H](C)c1cccc(C(F)(F)F)c1 59134402 BSDXCXXBONOGEA-CQSZACIVSA-N 301.396 5.717 30 10 DKEE C[C@H](c1ccc(Cl)cc1)N(C)CC1(CS)CCCCC1 94579673 PRTRFUBHVGRBQV-CQSZACIVSA-N 311.922 5.213 30 10 DKEE CCCC(CS)(CCC)CSc1nc2ccccc2o1 94589231 XMVMJXOWONVZIE-UHFFFAOYSA-N 309.500 5.436 30 10 DKEE SCCCCCCCCCOc1c(Cl)cccc1Cl 97799777 UYGQIFPJVQQRMM-UHFFFAOYSA-N 321.313 6.033 30 10 DKEE CCCCCCCn1cc(CNCCC)c2cc(F)ccc21 107020349 ZFITUIYRSLGLLW-UHFFFAOYSA-N 304.453 5.250 30 10 DKEE Cc1ccc(Br)cc1Nc1ccc(Cl)cc1C#N 110254510 JZIFEEMBTKPLBZ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCCc1nnc(S)n1CC(C)C 162751965 CJLPFEBONAWGAZ-UHFFFAOYSA-N 311.539 5.296 30 10 DKEE CCCCCCCCC[C@@H](N)c1cscc1Br 229839082 XJXYSYWDBNWIFG-CQSZACIVSA-N 318.324 5.651 30 10 DKEE C=CCCCCCC(=O)c1ccc(F)c(F)c1Br 231866925 CTSCPCXPQWSDHI-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE CCCCCCCC[C@@H](N)c1cccc(Br)c1F 232955676 CODFQEHFOOUPMF-CQSZACIVSA-N 316.258 5.339 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(Cl)c(Br)c1 236549717 VWRWCPPAWQRXCO-CQSZACIVSA-N 317.654 5.272 30 10 DKEE CCCCCCCCCCCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 250824717 MWUFUOPEYKSIEN-FYQPLNBISA-N 321.549 5.848 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(Cc2cc(Br)ccc2C)C1 314140352 IOBDDGKZCMINRC-CJNGLKHVSA-N 306.247 5.020 30 10 DKEE CC1=CS/C(=C\C(C)=Nc2ccccc2)N1c1ccccc1 334159335 CCWZTOVNKNEEAU-ZSGMNIPCSA-N 306.434 5.735 30 10 DKEE Cc1cccc(N[C@H](C)c2c(Cl)cccc2Cl)c1C#N 400840767 DJRCRMZRUBTFSV-LLVKDONJSA-N 305.208 5.347 30 10 DKEE N#Cc1ccccc1[C@@H]1CCc2ccccc2N1Cc1ccccc1 616594035 NKZRKXCATLTMGW-QHCPKHFHSA-N 324.427 5.252 30 10 DKEE CC[C@H]1CCCCC[C@@]1(C#N)Nc1cccc(Br)c1 691076348 MCDAXTDWYOUMQH-BBRMVZONSA-N 321.262 5.114 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)Sc2sccc21 692239586 LUCHJXIVRUTURS-LQKXBSAESA-N 307.528 5.398 30 10 DKEE C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1)C(C)(C)C 698381348 KLLGRTNOVKYHCT-GDBMZVCRSA-N 322.493 5.131 30 10 DKEE CCc1ccc(/C=C2\Oc3cc(O[C@H](C)CC)ccc3C2=O)cc1 1871421741 URCBTYFVKSWKIF-FAPYRAKZSA-N 322.404 5.043 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1c(C)c(C)cc(C)c1C 1874586711 AQEHWBPBOZWITA-VAWYXSNFSA-N 322.448 5.605 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1cc(Cl)cc(Cl)c1 1893182434 SSXIDGDCMCFHFA-MRXNPFEDSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)[C@H](C)C(C)C 1917919921 AJUINIPAUOXVNS-YLJYHZDGSA-N 303.556 5.999 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1)[Si](C)(C)C 1922990428 RTOVAEDDNQUHPB-MRXNPFEDSA-N 322.933 5.536 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1cc(F)ccc1C#N)C(C)(C)C 1946839302 MLGDRWKRCXGSSG-INIZCTEOSA-N 324.443 5.134 30 10 DKEE C=CCC[C@H](C)Sc1cc(Cl)c(N)cc1Br 1975930210 BVMVRFXWEDWZBT-QMMMGPOBSA-N 320.683 5.132 30 10 DKEE CCc1ccc(C#N)c(N(Cc2ccccc2)CC(C)(C)C)c1 1988047929 DDJJJLTVYVZPMB-UHFFFAOYSA-N 306.453 5.173 30 10 DKEE C=CCCCCCC[C@H](O)c1cscc1Br 1995202799 CCAMKWFZRLNCPM-ZDUSSCGKSA-N 303.265 5.071 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(Br)c(C)s1 2000356345 QUGZWSUNFGMRGK-QMTHXVAHSA-N 316.308 5.072 30 10 DKEE CC(C)(C)C1CCC(C=O)(CC2(Br)CCC2)CC1 2049208705 JIYKYYZYJNXSPW-UHFFFAOYSA-N 315.295 5.116 30 10 DKEE C=C1CC([C@@H](NCC)c2cc(Cl)c(Cl)cc2Cl)C1 2081441513 SEBUDIPOFYJKJG-CQSZACIVSA-N 304.648 5.264 30 10 DKEE N#CC1(Cc2cc(Cl)ccc2Cl)C[C@@H]2CC[C@H](C1)S2 2089751866 XJMGBUZSVTZVGY-NNQSOWQGSA-N 312.265 5.104 30 10 DKEE C=CCC[C@H](C)[C@@H](O)c1ccc2cc(Br)ccc2c1 2102098662 SDVKZBOIOQJWTM-YVEFUNNKSA-N 319.242 5.238 30 10 DKEE CCCC[C@](C=O)(CC)CCc1cc(Cl)cc(Cl)c1 2108194460 XEEMYDGDRGPMKL-MRXNPFEDSA-N 301.257 5.712 30 10 DKEE C=CC1(C[C@@H](NCC)c2ccsc2C(F)(F)F)CCC1 2168024188 RXPHPZKMRAXLDP-GFCCVEGCSA-N 303.393 5.164 30 10 DKEE N#C[C@]1(Cc2c(Cl)cncc2Cl)CCCCC12CCC2 2173615106 JMUDJKCRLPLRTG-MRXNPFEDSA-N 309.240 5.185 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 2179683696 WZNKOWJGFOYLHB-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1nc(Cl)cs1 2196948247 CYMDQVFPAUFMOC-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE CCCCCC#CC[C@@H](NC)c1ccsc1C(F)(F)F 2203833320 MMCNXBXZLOKDQD-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C#C[C@H](N[C@@H](CC)c1ccc(Cl)c(Cl)c1)C1CCCC1 2204043360 HCIMCLPYLNNZNW-IRXDYDNUSA-N 310.268 5.226 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2cc3sccc3s2)C1 2205528564 BAJVRVWCNZLHAB-GOEBONIOSA-N 305.468 5.106 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@H](O)c1ccsc1Cl 2207437305 NRDVDFDAWVOLSA-LSDHHAIUSA-N 315.910 5.069 30 10 DKEE CC(Nc1cccc2ccccc12)=C1Sc2ccccc2C1=O 2296463664 KBVPGVOKIRVGPT-UHFFFAOYSA-N 317.413 5.472 30 10 DKEE CCc1ccc(C(=O)C=CSc2ccc(F)cc2Cl)cc1 2297534835 ZUSYKQSJQNWRLI-UHFFFAOYSA-N 320.816 5.530 30 10 DKEE C[C@]1(CC#N)CC[C@@H](c2c(Cl)ccc(Cl)c2Cl)O1 2317106339 WGZPCZCTBDFCJY-GXFFZTMASA-N 304.604 5.171 30 10 DKEE N#Cc1cccc(N=Nc2c(-c3ccccc3)nc3ccccn23)c1 2320769706 YUKMNFLGSZNVMQ-UHFFFAOYSA-N 323.359 5.288 30 10 DKEE CCC(=NOCc1ccccc1F)c1ccc(C(C)(C)C)cc1 2330263450 XLPIICNYFHTJCO-UHFFFAOYSA-N 313.416 5.454 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1c(Cl)ccc(Cl)c1F 2344337207 OTLRUGZNYNGGGX-BONVTDFDSA-N 304.236 5.385 30 10 DKEE C#Cc1ccccc1N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2365450975 OWFGIYVRFAEOBX-SNVBAGLBSA-N 324.638 5.801 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2370484145 YBCPRAAWGKXMEL-INIZCTEOSA-N 314.300 5.945 30 10 DKEE Cc1cc2c(cc1C)C(=O)/C(=C/c1cccc3ccccc13)O2 39842647 QIKPWTUWHDRNTA-NDENLUEZSA-N 300.357 5.073 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2cccc(Cl)c2Cl)CC1 91881588 MOZAXUVQJNKCHS-YWCUFVOSSA-N 312.240 5.137 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OCC[C@H](C)CCS 94584398 WMYPBQOCTCEMOP-LBPRGKRZSA-N 300.895 5.497 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(OCCCCC)cc1 100048353 TYJBPBKWIMLNDI-LJQANCHMSA-N 319.533 6.267 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(Br)o1 124981897 IJAKICDHFZNMKS-GFCCVEGCSA-N 302.256 5.053 30 10 DKEE CCCCCCCCC[C@H](CCc1ccsc1)NCCC 165358359 YKVHAUZDBSBCRX-LJQANCHMSA-N 309.563 6.190 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2 226726768 GHRFCSRKFMQJFB-QMHWCDLVSA-N 322.411 5.538 30 10 DKEE CCCCCC[C@](C#N)(CC[N+](C)(CC)CC)c1ccccc1 247650191 MMMRCGMSXUQYJU-OAQYLSRUSA-N 315.525 5.295 30 10 DKEE COc1ccccc1C=Nc1ccc(Oc2ccccc2)cc1 257351532 FRDSJSFBUBRPCO-UHFFFAOYSA-N 303.361 5.238 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1CS[C@@H](C)[C@H](C)S1 300421793 IQEVVOXYIUKCMR-QAETUUGQSA-N 317.608 5.341 30 10 DKEE Cc1cccc(Nc2ccc(C#N)c(Br)c2)c1Cl 306044880 SSUOTPIPDMUIOJ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCCCN[C@@H](CC)c1ccc(Cl)c(Cl)c1 380371315 MLACOAOMEWFMPU-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE CCCCCCC[C@H](NCC)c1ccsc1C(F)(F)F 394913473 QBAUNBUTILHHPT-ZDUSSCGKSA-N 307.425 5.778 30 10 DKEE C=CCCC[C@@H](C)n1c(S)nc2cc(Cl)c(Cl)cc21 398292048 ZJLLNRMLMFERAK-SECBINFHSA-N 315.269 5.549 30 10 DKEE N#CCc1c[nH]c2ccc(F)c(-c3ccc(Cl)c(Cl)c3)c12 514263878 WPBGVMONXORVDV-UHFFFAOYSA-N 319.166 5.347 30 10 DKEE C=CC[C@H]1CCCC[C@H]1n1c(S)nc2ccc(Cl)cc21 692191916 VFLHMQQOCWKRJM-SMDDNHRTSA-N 306.862 5.286 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC[C@@H]1C(C)(C)C 698360818 VAPPSCHQOTWDFG-BEFAXECRSA-N 322.493 5.131 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@]1(C#N)CCCCC1(C)C 698891896 OEWYVWGSLPMWBL-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CC(C)(C)CC(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 713203090 DEJYLFGVPINWSU-XFXZXTDPSA-N 317.429 5.052 30 10 DKEE N#Cc1cccc(CSc2nc(-c3cccs3)cs2)c1 1860807467 OIUSCJAQEQVICA-UHFFFAOYSA-N 314.460 5.036 30 10 DKEE CCCCCCCC(=O)c1scc(C)c1Br 1939866136 WUZQRIQATIJCOF-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE CCCCCCCCCCC(=O)c1cc(Br)co1 2049668256 YHLZMNBOUNEUDX-UHFFFAOYSA-N 315.251 5.756 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2ccc(C)c(Br)c2)CC1 2061198065 ZDPJEBPDFHULJM-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)c(F)c1 2085843099 YECROWASKYKXQJ-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc(-c2cccc(Cl)c2)s1 2164066022 ASSFFZCJUHKWLC-LBPRGKRZSA-N 304.842 5.854 30 10 DKEE CC#C[C@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2164216460 ZMVCYYCITVFIRV-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCCCCCC[C@@H](C[C@@H](C)P(C)(C)=O)NCCC 2192512277 IRRPVISKSYQHTG-SJORKVTESA-N 303.471 5.507 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H](C)C(C)(C)C(F)F 2193163783 ZPKIREQHKUTAFL-CYBMUJFWSA-N 309.510 5.114 30 10 DKEE CC#CCCC[C@H](NCC)c1ccc(-c2cccs2)s1 2205876393 HJVAPVBKJZVRRX-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE C=CCCCCCCCC[C@]1(O)CC[C@H](P(C)(C)=O)C1 2207441964 MNQCOTATZUDMMO-IRXDYDNUSA-N 300.423 5.200 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](N)c1cccc(Cl)c1Cl 2207449762 PMYXHUPDLSJGIZ-GDBMZVCRSA-N 318.288 5.105 30 10 DKEE C=C(C)CC[C@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2225907446 PHNWRFJOPBSJDK-VIFPVBQESA-N 303.189 5.058 30 10 DKEE CC(C)(C)C#C[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2233783272 UJIDZAXPURHTPS-CQSZACIVSA-N 303.858 5.118 30 10 DKEE CCCN[C@H](C#Cc1cccc(Cl)c1)c1csc(Cl)c1 2239559654 SNXBILGYDMVSFW-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE FC(F)(F)[C@@H]1CCC[C@H](OCC2(CS)CCCCC2)C1 2239947179 CXDUFQZJBZUNIF-OLZOCXBDSA-N 310.425 5.004 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(C)ccc1Br 2259239291 MKQSSHXOMZFLOO-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCC[C@H](N)c1cc(F)cc(Br)c1F 2260013822 MFZGNQBCJVSYST-ZDUSSCGKSA-N 320.221 5.088 30 10 DKEE CC#CCCC[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2295258779 ONPFLFSVNVJIPJ-GFCCVEGCSA-N 303.393 5.001 30 10 DKEE C=C(Cl)CC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 2295809903 IYZQLSFQMVMBJD-UHFFFAOYSA-N 316.628 5.050 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(Cl)c1Br 2304121695 DQYVSCSEEXGQPE-KBPBESRZSA-N 317.654 5.128 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2321132696 AIJOVKFGGUNIKZ-XPTSAGLGSA-N 306.664 5.510 30 10 DKEE C=C[C@@](C)(CNCCC)Cc1ccc(Cl)c(Cl)c1C 2338706200 VFKYEQBEMXBJJI-MRXNPFEDSA-N 300.273 5.036 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Cl)c(C(F)F)s1 2345077523 DWKYFLWIWKNQIC-AWEZNQCLSA-N 309.853 5.874 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345160822 DSIRQQBCOMEKSN-JOYOIKCWSA-N 307.837 5.592 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1c(Cl)cc(C)cc1Cl 2352814143 CIEXTZVFZVTWGY-OAHLLOKOSA-N 300.273 5.555 30 10 DKEE Cc1c(C[C@]2(C=O)CCCC(F)(F)C2)ccc(Cl)c1Cl 2364264821 CAPQWIUUWVNKGQ-CQSZACIVSA-N 321.194 5.239 30 10 DKEE Cc1cc(CNc2ccc(Cl)c(C)c2Cl)ccc1C#N 2365666077 CVRVFVCJAANGJX-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CC(F)(F)CCCC(=O)CCCCC(F)(F)C(F)(F)F 2368156060 DGAXDBHGIOCKMR-UHFFFAOYSA-N 310.253 5.139 30 10 DKEE C=C(C)COc1ccccc1NC(=O)c1ccc(C(C)C)cc1 10451701 LTLRHAYVZCZQCN-UHFFFAOYSA-N 309.409 5.017 30 10 DKEE N#Cc1ccccc1COc1c(Cl)cc(Cl)cc1Cl 11834144 IIAGBCGVNIWUPO-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE C#Cc1cccc(N[C@H](CC)c2ccc(Cl)c(Cl)c2)c1 37185126 SWQIHIVKXQLOCB-QGZVFWFLSA-N 304.220 5.538 30 10 DKEE CC(C)c1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccccc1 71465218 VEGJQYDPWHEFIF-UHFFFAOYSA-N 308.812 5.338 30 10 DKEE CC(C)(C#N)CCCOc1cc(Cl)c(Cl)cc1Cl 87608948 SCAZRIOWAICETP-UHFFFAOYSA-N 306.620 5.356 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccccc2Br)CC1 87940075 JOHCWMULMIKVKE-UHFFFAOYSA-N 306.247 5.102 30 10 DKEE CCCCCCCCCCNc1ncnc(Cl)c1CCC 129436790 TVTMWMMRMRQBPR-UHFFFAOYSA-N 311.901 5.635 30 10 DKEE CCCCCCCCCC[C@@H](N)c1c(Cl)cccc1Cl 162286319 WUGDIJWLYGJFPT-MRXNPFEDSA-N 316.316 6.524 30 10 DKEE CCCCCCCCNC[C@@H](c1ccccc1)N1CCCCC1 257662654 WTFPTUPWRKGKCA-NRFANRHFSA-N 316.533 5.164 30 10 DKEE C=CCCCCCCN[C@@H](C)c1ccc(Br)cc1 394115331 AYSSYSAQCXJEOV-AWEZNQCLSA-N 310.279 5.236 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H](C)OCc1ccccc1 404348142 NKWBTTQFZVPFMN-UYAOXDASSA-N 305.506 5.450 30 10 DKEE Fc1cccc(-c2cc(C(F)(F)F)ccc2C(F)F)c1F 514255901 ZQBGBFKGEXODAG-UHFFFAOYSA-N 308.196 5.588 30 10 DKEE CCCC1([C@@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 687557555 YAKWLUHQLHDUHD-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)c2ccc(Cl)s2)C1 688341692 JILNXQFRSBTNBM-ZDUSSCGKSA-N 311.878 5.181 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(Br)c(C)c3)C[C@@H](C1)C2 697309849 QLJLFJRVWCWSFF-MZBDJJRSSA-N 320.274 5.304 30 10 DKEE CC(C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698913125 CBCKPZJKKBWUGA-CYBMUJFWSA-N 322.836 5.020 30 10 DKEE Clc1ccc(C=Nc2ccc3ccccc3c2)c(Cl)c1 1084348404 OYAIINMKLJFQDY-UHFFFAOYSA-N 300.188 5.897 30 10 DKEE CCCCCCCCCCO[C@@H](C)CNCc1ccccc1 1914624685 VNIYNOSJCNDHMS-IBGZPJMESA-N 305.506 5.322 30 10 DKEE CCCCCCCCC[C@H](N)[C@@](C)(O)c1ccc(Cl)s1 1920282288 BKBVCBCBAODKGC-XJKSGUPXSA-N 317.926 5.077 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)[C@H](CC)CC(C)C 1922072756 XPVBZOBNASESKR-RTWAWAEBSA-N 317.517 5.200 30 10 DKEE C=C([C@H](NCC)c1cccc(Cl)c1Cl)[Si](C)(C)C 1922866672 APWCVKGZWONADK-AWEZNQCLSA-N 302.321 5.078 30 10 DKEE SC[C@H](CN(Cc1ccccc1)CC1CCCC1)C1CCC1 1931881427 HKDTWKBHXJTZPU-FQEVSTJZSA-N 317.542 5.025 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)C2CCCC2)C1 1946859072 PWGFYENAGHALTP-KAGYGMCKSA-N 324.512 5.540 30 10 DKEE CCCCCCCN(C)Cc1sc(Br)cc1C 1950891801 XRXCJWWDLZRCTI-UHFFFAOYSA-N 318.324 5.221 30 10 DKEE CCCCCCCOC[C@H](NCC)c1ccc(Cl)s1 2089274841 MVSSBMNRXJEFMI-ZDUSSCGKSA-N 303.899 5.039 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1scc(Cl)c1Cl 2096220034 DIZIROLGUIFYAZ-ZDUSSCGKSA-N 322.301 5.077 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(C)c(Br)c(C)c1 2102111213 LFKBNIJTZIVHCC-PXAZEXFGSA-N 324.306 5.319 30 10 DKEE CCCCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1F 2139394684 WPPDFNASZWAQCL-CYBMUJFWSA-N 306.252 5.883 30 10 DKEE CCN[C@H](CC#CC1CCCCC1)c1ccc(SC)s1 2149856851 BWSUWQXVRDGJCH-OAHLLOKOSA-N 307.528 5.094 30 10 DKEE C=C1CCC(C[C@@](N)(CC)c2ccc(Cl)c(Cl)c2)CC1 2154682763 JPTZIXOQDVMQPB-KRWDZBQOSA-N 312.284 5.694 30 10 DKEE CCCCCCCCC[C@@]1(O)CCC[C@@H](P(C)(C)=O)C1 2160802757 IPUOXPCKZZSCRG-IAGOWNOFSA-N 302.439 5.424 30 10 DKEE CC#CCCC[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2194066479 UVGHTAWQZGRZSQ-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE C=CCCCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2206893577 BESVUUDFOMEYBY-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE C=CCCCCCCCNc1c(C)cc(C)cc1Br 2227270131 DNIBRQBZDGZOTP-UHFFFAOYSA-N 324.306 6.004 30 10 DKEE C=C[C@H](CC)OC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2239486742 JNXHTTHCZNXOHB-CZUORRHYSA-N 316.272 5.015 30 10 DKEE CCCCCCC[C@@H](N)c1ncc(C(F)(F)F)cc1Cl 2239901041 LWQBEQRYXOKJCY-GFCCVEGCSA-N 308.775 5.114 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Cl)sc1Cl 2259196814 PJEVRGPUQTYSKM-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE Fc1cccc(SCC2(C(F)(F)F)CC2)c1C(F)(F)F 2281240813 OIMNLPALPLQPFH-UHFFFAOYSA-N 318.257 5.279 30 10 DKEE C=CCC(C)(C)C(=O)c1c(Cl)ccc(Br)c1F 2304083670 KARGRHJXASJTHN-UHFFFAOYSA-N 319.601 5.027 30 10 DKEE CCCC(CS)(CCC)CSCC1CCC(C)CC1 2335253990 BWAHJBPVQCJPIP-UHFFFAOYSA-N 302.593 6.062 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1c(C)cccc1Br 2338739715 YJYQNXJXBHHKFH-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Cl)c(C(F)F)s1 2345156402 WUGDWQKNPJGIJU-JSGCOSHPSA-N 307.837 5.592 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(F)c(Cl)c(Cl)c1 2352383715 RCACOYBLYUORKD-CQSZACIVSA-N 306.252 5.883 30 10 DKEE C=CCC(CC=C)Sc1ccc(Cl)cc1C[C@H](N)CC 2360331480 UKPIDAPEVQXIOR-OAHLLOKOSA-N 309.906 5.233 30 10 DKEE C#CCCCCCCNCc1ccc(-c2cccs2)s1 2364157878 LPIRNLQHWMRYLD-UHFFFAOYSA-N 303.496 5.150 30 10 DKEE C=C[C@H](CCCCC)Oc1cc(Cl)c(C(=O)O)c(Cl)c1 2366404676 GNQGMFOSXMRRHD-SNVBAGLBSA-N 317.212 5.205 30 10 DKEE C#CCCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2366795889 XIMXFRIESMDTCL-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2377361495 AFGGTECOBDQPIC-INIZCTEOSA-N 316.247 5.552 30 10 DKEE C=C(C)COc1cccc2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 14551522 NDFLBHLWJXWLDO-UEXGIBASSA-N 317.432 5.468 30 10 DKEE Cc1ccc(C(C)C)c(OCCCCCCCCCS)c1 97799650 BJSOMGUEXIOKGR-UHFFFAOYSA-N 308.531 6.158 30 10 DKEE CCCCCCCNC[C@@H](C)Oc1ccc(Cl)cc1Cl 100027174 GQHZNDPFSKVZIL-CYBMUJFWSA-N 318.288 5.321 30 10 DKEE CCCCCCCCCOc1ccc(C)cc1Br 104178154 RBTIZICGWJTETK-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE CC[C@H](C[C@H]1O[C@@H]1CC)c1ccc(OCc2ccccc2)cc1 107579398 VBIXRPXETXQTHK-DUXKGJEZSA-N 310.437 5.327 30 10 DKEE CCCCCCC[C@@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 109755553 MSWWAVMODMKLJZ-ZIAGYGMSSA-N 316.316 6.393 30 10 DKEE Cc1cc(Br)ccc1Nc1ccc(Cl)cc1C#N 110251701 BEYJOFZTXVXLSC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@H](Nc1cccc(Cl)c1)C(=O)OCC 110319271 SZNNVKVZTSEHHZ-INIZCTEOSA-N 311.853 5.044 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(Cl)cc(Cl)c1 157946746 UGNLFTHIYDOGSB-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCC#CCCCCCCCO[C@@H]1CCCCO1 207139118 YKVZYOYAJZOFOO-NRFANRHFSA-N 322.533 6.234 30 10 DKEE CCCCCCCCNc1cc(F)c(Br)cc1C 224281311 QAYZLHTVSCCASW-UHFFFAOYSA-N 316.258 5.669 30 10 DKEE N#Cc1cc(F)cc(Nc2cccc(OCc3ccccc3)c2)c1 310431554 NHACZAAHIJCNMC-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CC[C@H]1CCCCC[C@H]1Nc1cc(Br)ccc1C#N 691078614 ULHDFOCUYDOXBR-SWLSCSKDSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@H](O)c1oc(Br)cc1C 715761465 MEWQVGCYXBUQSH-ZDUSSCGKSA-N 317.267 5.525 30 10 DKEE CCCCCCCCC[C@@H](Cc1scnc1Cl)NCC 722009640 FEOZCCWDKUNPSB-AWEZNQCLSA-N 316.942 5.458 30 10 DKEE Cc1cc(C)cc(-n2c(C)cc(C=Nc3ccc(O)cc3)c2C)c1 725447337 MKDNUBYQEKLPSA-UHFFFAOYSA-N 318.420 5.167 30 10 DKEE Cc1[nH]c2ccccc2c1C=Nc1ccc(Cl)c(Cl)c1 1084344498 URBVHRLRNYVFFA-UHFFFAOYSA-N 303.192 5.534 30 10 DKEE CCCCCCCCNC(=O)c1ccc(SCCC)cc1 1859664421 GBZFZNBBXPAWJF-UHFFFAOYSA-N 307.503 5.279 30 10 DKEE C=CCN(C(=O)C1CCC(CCCC)CC1)[C@H]1CCCC[C@H]1C 1860025936 HYBUTOOKTBZACF-OAHAVBBTSA-N 319.533 5.576 30 10 DKEE C=CCCN(Cc1ccccc1)c1cc(Cl)c(Cl)cc1N 1886645273 YSHGBWPPNMPNIR-UHFFFAOYSA-N 321.251 5.158 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)c1c(C)cccc1C 1922061109 WLABWPMKMAJJIX-JOCHJYFZSA-N 323.480 5.117 30 10 DKEE CCC1CCC([C@@](C)(C#N)N(C(=O)OC(C)(C)C)C(C)C)CC1 1980226707 MUECBUDKQAAFHK-LADRWXRNSA-N 322.493 5.131 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045724149 JTDGXVQYWOVIHQ-YMTOWFKASA-N 306.664 5.510 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccccc1Br 2050509726 CJKHKOOSBVEFEB-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C#Cc1cc(C(C)C)nn1[C@@H](CC)c1cccc(C(F)(F)F)c1 2070082686 QUKAIZNODVZYBW-KRWDZBQOSA-N 320.358 5.006 30 10 DKEE SCCCCCCCCCSCCCOCC1CC1 2128257343 AVCWLSCWDZWDOW-UHFFFAOYSA-N 304.565 5.197 30 10 DKEE N#CCCCCCOc1ccc2ccc(Br)cc2c1 2142501974 JPQWROFFXZHDRD-UHFFFAOYSA-N 318.214 5.065 30 10 DKEE C=CCC[C@H](C)[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2164002144 GPJPMBVOKFAXPF-YVEFUNNKSA-N 305.874 5.671 30 10 DKEE C=C([C@H](NCCC)c1ccc(CSC)cc1)[Si](C)(C)C 2164281660 OBMCHCQGTQAWAV-KRWDZBQOSA-N 307.579 5.024 30 10 DKEE C#CC[C@H](C)C[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2196720372 TVGBLDZMCJOJAY-WFASDCNBSA-N 304.842 5.151 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc(Cl)sc1Cl 2227274903 WBGDJDUQIYIIRP-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE C=CCCCCCCCC(=O)c1cc(N)cc(Br)c1 2227287532 PXVSHMKELHQCSJ-UHFFFAOYSA-N 324.262 5.131 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1Cl 2227319859 WMHUGZZCJLTIAE-HNNXBMFYSA-N 322.707 6.181 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)cc(F)c1Cl 2231172104 BNVYIYGHPQRPST-AWEZNQCLSA-N 306.252 5.883 30 10 DKEE C=C(C)CCCC[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 2250144140 ZMELQPWEGBBGFO-JOCHJYFZSA-N 323.480 5.576 30 10 DKEE C=CCCCCC[C@H](OCCN)c1c(Cl)cccc1Cl 2292886616 XYNMZYJFGDYPQX-HNNXBMFYSA-N 316.272 5.146 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1cc(C)c(Cl)s1 2294577582 ZLNCLDSGEPXQFP-CQSZACIVSA-N 317.926 5.477 30 10 DKEE C=C(Br)CCOc1ccc2ccccc2c1Cl 2307638293 ICQTZPUUOFIOIR-UHFFFAOYSA-N 311.606 5.171 30 10 DKEE COc1ccc(C=CC(=O)c2cccc3ccccc23)cc1Cl 2324129894 DTPHGHFGMHMFDS-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)cc(F)c1Cl 2344337144 OLGCOXNECQUJLW-BMIGLBTASA-N 304.236 5.385 30 10 DKEE C=CCCC[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2345962607 YZSSFTGIHXLYEI-HNNXBMFYSA-N 324.306 5.300 30 10 DKEE O=C(/C=C\c1ccc([C@@H]2CC2(Cl)Cl)cc1)c1ccccc1 33378717 SZULUGHAPLIYLO-CLOOOTJHSA-N 317.215 5.244 30 10 DKEE COc1ccccc1S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 41030608 QUSKROJXGAELCL-CKEIUWERSA-N 303.471 5.142 30 10 DKEE CC(C)c1ccc(C[C@@H](C#N)c2c(F)cccc2Cl)cc1 57743975 HLFSTXKFVJCLGF-HNNXBMFYSA-N 301.792 5.452 30 10 DKEE CCCSc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 83192725 HHGTXMPKAYCUIV-FMIVXFBMSA-N 321.445 5.566 30 10 DKEE Cc1cc(Oc2ccc(C#N)c(Cl)c2)c(C(C)C)cc1N 87465613 GRRLXCYFFYKKSJ-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE CCCCCCCC[C@H](CSc1ccccc1Cl)NC 117520613 YSJPIHVTZMOBKD-OAHLLOKOSA-N 313.938 5.771 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cccc(C)c1Cl 122683412 DUJPHVFTQQTDJK-QGZVFWFLSA-N 310.913 5.684 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NN 125559816 ZJUCISUFYAGMML-HNNXBMFYSA-N 317.304 5.118 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(C)c(Br)s1 125650682 JWTOSAAEMDIKGO-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@H](Nc2cc(C#N)ccc2Cl)CC1 127812679 ZYYPBEDQZQSHSS-CABCVRRESA-N 304.865 5.619 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)c1cscc1C 129545391 FDGGKJCRBIMSLG-GOSISDBHSA-N 310.551 5.872 30 10 DKEE CCCCCCCCC[C@H](O)c1csc(Br)c1 135349731 WUCLLFSHLFDNLK-ZDUSSCGKSA-N 319.308 5.685 30 10 DKEE CCSc1cccc(Nc2c(C)cccc2Cl)c1C#N 136678430 ADPDBDBQICNWBO-UHFFFAOYSA-N 302.830 5.376 30 10 DKEE CCCCCCCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CCC(=O)OC 136706509 UUEGGKLQKBHHGR-WCIQWLHISA-N 322.533 6.133 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Br)s1)NC 160797604 YUQPDMQGWJMZDP-LBPRGKRZSA-N 318.324 5.002 30 10 DKEE C=CCCCC(=O)c1cc(C(F)(F)F)ccc1Br 165946578 UMYPYPFJWMIXCG-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C#Cc1cc2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21 207039987 XTHSGNSOYLDBIR-UHFFFAOYSA-N 324.382 6.901 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 398185463 PQFWGONAEMBQAR-MNOVXSKESA-N 304.236 5.528 30 10 DKEE N#Cc1cc(Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl 514260967 CQHHXFFIIDDBDF-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCCC1(C)C 719203369 DREJQVJCIOWAJG-HNAYVOBHSA-N 322.493 5.275 30 10 DKEE C=C1CCC(CNc2ccc(Cl)c(Br)c2)CC1 724554518 YRPMCHLVEKATLU-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE C=C1CCC(C[C@H](NCC)c2ncc(Cl)cc2Cl)CC1 724588471 JQIZTYUIIZTNIA-HNNXBMFYSA-N 313.272 5.176 30 10 DKEE Oc1ccccc1C=Nc1cc(Cl)c(Cl)cc1Cl 1083973808 LHXIUPXIFLOLFN-UHFFFAOYSA-N 300.572 5.103 30 10 DKEE CCCCCCCCCCCC(=O)N(C)CCc1ccncc1 1866332340 PZOQOXBKITUEIC-UHFFFAOYSA-N 318.505 5.003 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(Cl)c(Cl)c1F 1893126068 UJFWLEMPYBSVHD-GXSJLCMTSA-N 301.192 5.017 30 10 DKEE CCCCCCCC[C@@]1(N)CCc2ccc(Br)cc21 1920448464 JHCXYRANFHYIME-QGZVFWFLSA-N 324.306 5.300 30 10 DKEE CC(C)[C@H](C)N(Cc1ccccc1)C[C@H](CS)C(C)(C)C 1931998305 JEJUVLDXZUJDGA-FUHWJXTLSA-N 307.547 5.125 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)C2CCCC2)cc1Cl 1932027541 OQERJSGLSZRZJQ-UHFFFAOYSA-N 310.828 5.161 30 10 DKEE N#C[C@@H](CN(Cc1ccccc1)CC1CCCC1)C1CCCCC1 1946755499 YXBXNHYRXFWSLW-QFIPXVFZSA-N 324.512 5.399 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(Br)c(Cl)s1 1978547553 HQCRKGPOXATERR-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Br)cs1 1995177374 NWJDJYFSQZLQRI-LBPRGKRZSA-N 302.281 5.037 30 10 DKEE CCCCCCCNc1cc(Cl)c(Br)cc1N 1997544828 XBKVJTMRFYPJLK-UHFFFAOYSA-N 319.674 5.067 30 10 DKEE CCCC[C@](C=O)(CC)Cc1cccc(Br)c1C 2045979569 DOZBVXYQSUVUBI-MRXNPFEDSA-N 311.263 5.086 30 10 DKEE C=C([C@@H](NCCC)c1cc(C)c(Cl)s1)[Si](C)(C)C 2046764513 SPGZGCYZKQRBDA-CYBMUJFWSA-N 301.959 5.184 30 10 DKEE CCCCCCCC[C@H](C#N)Nc1ccccc1Br 2142472560 ZWNODSAIVGQGQI-CQSZACIVSA-N 323.278 5.504 30 10 DKEE CCCCCCC[C@H](O)[C@@H](NCCC)c1ccc(Cl)s1 2147645555 JVVULSWBASDVLV-XJKSGUPXSA-N 317.926 5.164 30 10 DKEE C=C([C@@H](N)c1ccc(-c2ccccc2Cl)s1)C(F)(F)F 2164003322 JRXWJNASUYCHRM-CYBMUJFWSA-N 317.763 5.187 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2cc(C)c(Cl)s2)CC1 2165373930 UXDPCCYHHSNVSB-UGWHAMFMSA-N 311.878 5.244 30 10 DKEE O=C[C@]1(Cc2ccc(Cl)cc2Cl)CCCCC12CCC2 2173672099 DGECBEGVUPATDB-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE C#CC[C@H](C)C[C@H](NCC)c1cc(-c2cccs2)cs1 2196859040 QQYOGPYPKVDAIK-ZFWWWQNUSA-N 303.496 5.177 30 10 DKEE CCCCC#CC[C@H](NCCC)c1cc(Cl)ccc1Cl 2203787702 PSPBTQIFCMXMPD-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CC1(C)CCC[C@](C=O)(CCCC(F)(F)C(F)(F)F)C1 2240472727 VTWZVPVKPCGXMJ-LBPRGKRZSA-N 300.311 5.140 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccc(F)c(Cl)c1F 2240656149 DSSSQTYITCTWHH-GFCCVEGCSA-N 303.824 6.169 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccccc1OCc1ccccc1 2244639173 KQHBCOIDYMXOIM-HXUWFJFHSA-N 310.437 5.436 30 10 DKEE C=CCCCCC[C@@H](OCCC(=O)O)c1ccsc1Cl 2291443140 NCWKCXZDPKZJNL-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE C=CCCCC[C@H](OCCCN)c1cc2sccc2s1 2293269221 PTCQUBAHUCBYKX-ZDUSSCGKSA-N 309.500 5.116 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1c(Cl)ccc(Cl)c1F 2344337208 OTLRUGZNYNGGGX-MEBBXXQBSA-N 304.236 5.385 30 10 DKEE C=CCCCCCN[C@H](C)c1ccc(Cl)c(C)c1Cl 2353015789 JADOKMLIYOCEPK-CYBMUJFWSA-N 300.273 5.699 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(Cl)c(F)c1 2360209182 ZEQRUIQXYJGZIX-MLGOLLRUSA-N 315.885 5.218 30 10 DKEE C=CC[C@H]1CCC[C@@H]1NC(c1cccs1)c1cccs1 2362236671 QBIYNIKVXDYYOF-KBPBESRZSA-N 303.496 5.233 30 10 DKEE Cc1c(F)ccc(CC2(C#N)CCC(F)(F)CC2)c1Cl 2364760964 AVRLKMQXUPIHCP-UHFFFAOYSA-N 301.739 5.049 30 10 DKEE CCCCCCC[C@@H](O)CCCc1cc(Cl)cc(Cl)c1 2366817060 NBYUNQSMDFOUFM-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE C=CC[C@@H](CCCc1cc(Cl)cc(Cl)c1)CNC1CC1 2366900898 RPCJZPCGVJMTQL-ZDUSSCGKSA-N 312.284 5.260 30 10 DKEE O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1ccc(O)cc1 33502618 DEIGGBZKUIHETC-ZROIWOOFSA-N 316.356 5.081 30 10 DKEE Cc1ccc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c(C)c1 50038989 DWNFIPGOMQXHSV-AWEZNQCLSA-N 318.203 5.100 30 10 DKEE CCCOc1ccc(C)cc1C(=O)/C=C/c1ccc(OCC)cc1 83205170 AJGHCNWJLUKZFD-FMIVXFBMSA-N 324.420 5.079 30 10 DKEE CCCCCCCCC(=O)Cc1ccc(Cl)cc1Cl 109709178 CQHUTQRHWPMDMT-UHFFFAOYSA-N 301.257 5.856 30 10 DKEE CCSc1cccc(Oc2ccc(C)cc2Cl)c1C#N 136717241 LGNZKZGAJIUJBX-UHFFFAOYSA-N 303.814 5.424 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc2c(s1)CCCC2 158078235 PENMFHBNZKCRMD-QGZVFWFLSA-N 307.547 6.028 30 10 DKEE N#C[C@H](C(=O)CC1CCCCCC1)c1ccc(Cl)c(Cl)c1 162029231 XIKROSJWEZKWPV-AWEZNQCLSA-N 324.251 5.530 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(C)ccc1Br 163740744 SRXYKTIPTMMUOM-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE C=CCn1c(-c2ccc(C)cc2C)csc1=Nc1ccccc1 254308551 ATGXOUBHVMPIRD-UHFFFAOYSA-N 320.461 5.252 30 10 DKEE C=CCC(C)(C)CNc1nccc2c(Br)cccc12 311741756 SVAVPMXSSKAJGF-UHFFFAOYSA-N 319.246 5.012 30 10 DKEE C#C[C@H](Nc1cccc(OCc2ccccc2)c1)c1ccccc1 328421446 RUVGMWOGXHJMHT-QFIPXVFZSA-N 313.400 5.052 30 10 DKEE C=CCCCCCCN[C@H](C)c1ccccc1Br 385090142 ZJONFFZQWITCSN-CQSZACIVSA-N 310.279 5.236 30 10 DKEE CCCCCCCC[C@H](Cc1ccsc1Cl)NCCC 687835205 HYFTVGHXHMHPOG-MRXNPFEDSA-N 315.954 6.063 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1cscc1Cl 711578422 UHTPIDFWYNODBE-QGZVFWFLSA-N 315.954 6.583 30 10 DKEE CCCCC1CCC(c2nccc3c2ccn3CCCC#N)CC1 821290792 YCNYTYYMXXOIHG-UHFFFAOYSA-N 323.484 5.804 30 10 DKEE CCCCCCCCCCN=c1[nH]c2cc(C)cc(C)c2o1 1859792712 MOBDFRCVFQUTQZ-UHFFFAOYSA-N 302.462 5.419 30 10 DKEE C=CCOc1ccccc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583606 WKOPTEKSXUTQPW-BUHFOSPRSA-N 306.405 5.271 30 10 DKEE C=C(c1ccccc1)[C@H](N)c1c(Cl)ccc(Cl)c1Cl 1888702149 UVGJITYTNPHWTE-HNNXBMFYSA-N 312.627 5.360 30 10 DKEE CC(C)CN(Cc1ccccc1)C[C@](C)(CS)C(C)(C)C 1893597496 RERLJRZMBLWVTI-LJQANCHMSA-N 307.547 5.127 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H](C)CCCCN[C@H](C)CC 1901762182 KREFWXBKWBFRIW-UXHICEINSA-N 316.533 5.012 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccccc2Cl)s1)C(F)(F)F 1919676802 LMCKWRZMSCMHQL-ZDUSSCGKSA-N 318.747 5.220 30 10 DKEE Cc1cc(C)c(C#N)c(N(Cc2ccccc2)[C@H](C)C(C)(C)C)n1 1946843269 WVCGKMBFHBVWGD-QGZVFWFLSA-N 321.468 5.011 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1985234585 HWYJWIBQPDUOCH-INIZCTEOSA-N 306.405 5.195 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cccc(OCc3ccccc3)c2)CC1 2010759740 FODDPOFOQCEQBU-KRWDZBQOSA-N 320.432 5.585 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cscc1Br 2013601901 RGHJFDRSZOKUQF-CQSZACIVSA-N 319.308 5.469 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2040524012 ZKVGYHUZHTXZKO-ZWNOBZJWSA-N 306.302 5.698 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](C)c1cc(Cl)cc(Cl)c1F 2096542420 MTEOTUNXIOFNGF-WDEREUQCSA-N 304.236 5.528 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2102109896 BZDNAVCMLZPUDX-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CCCCCC1CC(C#N)(Nc2ccccc2Br)C1 2123513791 HAHQMZHWVKQNDX-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1cccc(Cl)c1Cl 2149858129 PKNLXKYWAWBTMJ-MRXNPFEDSA-N 310.268 5.228 30 10 DKEE CCCC[C@](C#N)(CC)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 2164481111 BAAKWXURNCAJFL-HOTGVXAUSA-N 314.256 5.311 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1cccc(Cl)c1Cl)NCC 2227500383 HNXRKJSCVZRXPE-DOMZBBRYSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc(Cl)ccc1Cl 2235531572 AJSALLHZOZKLGK-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(CCCC(F)(F)C(F)(F)F)C1 2240470536 WYGMWQZOQFZHDV-NEPJUHHUSA-N 300.311 5.140 30 10 DKEE C=C(C)CCCCNc1ccc(Br)cc1Cl 2244653198 SVWJEYWPTJYGFY-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Cl)ccc1Cl 2271790643 ICOBZJAXLUXJDL-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2c(F)cccc2Br)C1 2273936784 NGLRSOXFXQODHS-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE C=CC[C@H](C)Oc1c(Cl)cc(CN[C@H](C)CC)cc1Cl 2296254028 SBHIUAYRCMUJFM-NEPJUHHUSA-N 316.272 5.225 30 10 DKEE CCCCCCCCNc1ccc(C)c(Br)c1F 2327812285 WVAJZSXTADYYCK-UHFFFAOYSA-N 316.258 5.669 30 10 DKEE C=CCCCCCC[C@H](O)c1c(Cl)cc(F)cc1Cl 2340795428 FZEPLTDRQYGAGM-AWEZNQCLSA-N 305.220 5.693 30 10 DKEE C[C@](C#N)(Cc1cc(F)c(Cl)cc1Cl)c1ccccc1 2377391581 FJSVLBIYNGATIQ-MRXNPFEDSA-N 308.183 5.156 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1Cl 37282101 TWQAVQNFOSHDMP-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(OC)cc1OC 59089810 PMCVYKWCSBYEOX-CYBMUJFWSA-N 313.869 5.518 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)c(C)c1C 83193522 FIGOZRZMMRZBDP-PKNBQFBNSA-N 319.404 5.080 30 10 DKEE CCCCCCCCCCCCCCCCN[C@H](C)CCN 100152808 YRUMNJWXYGPHQI-HXUWFJFHSA-N 312.586 5.795 30 10 DKEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Oc1cc(C)ccc1C(C)C)C2 100937700 SCUHVILDHBPBSL-HRAATJIYSA-N 312.453 5.406 30 10 DKEE CCCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NC 109733260 IFBPHLKIHPGGMM-ZDUSSCGKSA-N 302.289 5.484 30 10 DKEE CCCCCCCCC[C@H](CNCC)c1cccc(Cl)c1 118855309 CLGAUGHFQHPFPO-GOSISDBHSA-N 309.925 6.174 30 10 DKEE Cc1ccc(C)c(Sc2cc(Br)ccc2C#N)c1 124355867 WFIISODELREBFV-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCCC[C@@H](Cc1cc(F)ccc1Cl)NCC 126748338 KZCPQKBNPPMKRM-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCC(=O)c1ncc(Cl)cc1Cl 128402122 UKLJWLOFZFBAKM-UHFFFAOYSA-N 302.245 5.712 30 10 DKEE N#Cc1cc(Oc2ccc(F)cc2Cl)ccc1C(F)(F)F 164501203 AJGBPECXHFBXSD-UHFFFAOYSA-N 315.653 5.162 30 10 DKEE Cc1ccc(N/N=C/c2ccccc2OCc2ccccc2)cc1 169877670 ZYQCBGTVSUKHMV-PXLXIMEGSA-N 316.404 5.020 30 10 DKEE CCCCCCCCCCNc1cncc(Br)c1 228301807 XZIOWEYQYBBQSV-UHFFFAOYSA-N 313.283 5.397 30 10 DKEE Cc1ccc(Oc2ccc(Cl)cc2Br)c(C#N)c1 235919923 BRODASRSGQZVDM-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCNC[C@@H](c1ccc(C)cc1)N1CCCCC1 257628500 DHBMYLLGMUQEAN-NRFANRHFSA-N 316.533 5.082 30 10 DKEE CCCCCCC[C@@H](C)NC[C@@H](C)COCc1ccccc1 389925564 VWEAXBWJXDXCBL-RTBURBONSA-N 305.506 5.178 30 10 DKEE C=CCCC(=O)C[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 406010378 UOTAQBDEGPNFSY-CQSZACIVSA-N 317.429 5.063 30 10 DKEE N#Cc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1 514261059 BYPFJXJAYGXJAO-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)c2cccc(Br)c2)C1 719361566 OTBUXIWSQGNZEN-TWJWRFFLSA-N 306.247 5.129 30 10 DKEE C=C1CCC(CNc2c(Cl)cc(Cl)cc2Cl)CC1 724541899 FFFNNNQKBPFEAC-UHFFFAOYSA-N 304.648 5.805 30 10 DKEE C=CCCN(Cc1ccccc1)c1c(Cl)cc(N)cc1Cl 1886643915 BXOBRCMDWCQCAQ-UHFFFAOYSA-N 321.251 5.158 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@@H](C)CCN 1915399955 XSYJZOXOBRYAJD-FQEVSTJZSA-N 318.549 5.367 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1ccccc1Br 1919508146 QNEPEYOGEBLVIT-MRXNPFEDSA-N 312.295 5.070 30 10 DKEE CCCCCCCNc1cc(C)cc(Br)c1F 1941831137 WHFFPNCAVWPTAF-UHFFFAOYSA-N 302.231 5.279 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(C)sc1Br 1951106977 CXSVYXLWXFTPQV-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCCCCC[C@H](CCCOCc1ccccc1)NCCC 1976715490 MKFODYKJCZDZTG-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE C=CCCCCC[C@](N)(CC)c1ccc(Br)cc1 2037102866 GBMKEPVICJWCJN-MRXNPFEDSA-N 310.279 5.150 30 10 DKEE Cc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C#N)c2Cl)cc1 2078981391 NDVIKTZBXBOEKE-QGZVFWFLSA-N 315.848 5.085 30 10 DKEE CC[C@](C#N)(Nc1ccc(Br)cc1)C1CCCCC1 2102274577 RUBHJIRGLZRYSR-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE C#CCCCC[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2173491693 VIQJMWHNTXEHJD-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CCP(C)(C)=O 2177197997 TWKDGPXGUKFMIM-QGZVFWFLSA-N 304.455 5.671 30 10 DKEE Cc1cc(Nc2cc(Cl)c(F)cc2C#N)c(Cl)cc1F 2184414016 HAVCGAFMCRKRAT-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CCCCCCCCN(C)[C@@H]1CCC[C@H](P(C)(C)=O)C1 2195489430 VKGAIFIQDQGVFE-SJORKVTESA-N 301.455 5.213 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cc2sccc2s1 2196170309 XDQIFBXQIDTSCJ-CQSZACIVSA-N 305.512 5.587 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1cc(Cl)cc(Cl)c1 2197902586 LVJGKPOQDQTWBI-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE CCCCCCCC[C@H](O)[C@@H]1CCCN(Cc2ccccc2)C1 2244000895 LEEZRPWVFCBAHY-RTWAWAEBSA-N 317.517 5.010 30 10 DKEE CSc1cccc(SC[C@@H]2CCCCC2(F)F)c1C#N 2283213752 KVDADCSIHGBXKN-NSHDSACASA-N 313.438 5.198 30 10 DKEE C=CCC[C@H](C)Nc1ccc(C(F)(F)F)c(Br)c1 2320829155 BLJFYBQLPLZEHW-VIFPVBQESA-N 322.168 5.235 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2338748281 AOLBVURWXNPMPH-CQSZACIVSA-N 318.313 5.864 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(C)c(Br)c1 2344337562 RODWHMBIBVXMNX-IRXDYDNUSA-N 324.306 5.401 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349844352 FKAAHEOSWIZWOK-MEBBXXQBSA-N 304.236 5.385 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426687 RZLXAHMCSQLYSE-KCQAQPDRSA-N 322.905 5.572 30 10 DKEE CCCCCCCCCC(=O)c1ccc(C(F)(F)F)cc1 80810548 AABOJILAGKTMGH-UHFFFAOYSA-N 300.364 6.029 30 10 DKEE CCSc1ccc(Cl)cc1C(=O)/C=C/c1ccc(F)cc1 83193127 LOXBLQNKWLKKRC-WEVVVXLNSA-N 320.816 5.487 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)c1 83193760 NCTXANDNSSNEFD-ZHACJKMWSA-N 308.421 5.215 30 10 DKEE CC[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2Br)CC1 86901788 WDABWWJLDGAFJW-OCCSQVGLSA-N 321.262 5.092 30 10 DKEE CCc1ccsc1C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 94531337 XVKKOORZEYYTIE-SNVBAGLBSA-N 324.232 5.107 30 10 DKEE SC[C@@H](COc1c(Cl)cccc1Cl)c1ccccc1 94584821 KZJIFOSPOYBWJW-GFCCVEGCSA-N 313.249 5.086 30 10 DKEE CCCCCCCO[C@H](c1ccc(Cl)s1)[C@@H](N)CC 103992839 XLKINVOMRQCCED-WFASDCNBSA-N 303.899 5.167 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)cc(Cl)c1 114875249 XGJNYMJDWHLWQH-INIZCTEOSA-N 303.273 6.168 30 10 DKEE CCCc1ccc(Nc2cc(Br)ccc2C#N)cc1 123112084 RVNFWKJNSGJLQX-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE Cc1ccc(C)c(Oc2cc(Br)ccc2C#N)c1C 123477707 YHAZAVQOJWESRV-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C[C@H](NC(c1ccccc1)c1ccccc1)c1ccc(C#N)s1 134651149 DHHIPOXDAKTQQX-HNNXBMFYSA-N 318.445 5.060 30 10 DKEE CCCCCCCCN[C@@H]1CCc2cc(Br)ccc21 160838338 KMPZGHDVNFPLNB-QGZVFWFLSA-N 324.306 5.387 30 10 DKEE CCCCCCCCCC[C@H](N)c1ccc(Cl)cc1Cl 162291224 WEJGEMFNXQNSGK-KRWDZBQOSA-N 316.316 6.524 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(Cl)ccc1OC 162302788 MJFDQGVQIRCZQF-QGZVFWFLSA-N 311.897 5.879 30 10 DKEE CC(C)(C)c1ccc([C@H](O)C2(C#N)CCCCCCC2)s1 166295538 TXMLZQKSUWLNRQ-INIZCTEOSA-N 305.487 5.333 30 10 DKEE CCCCCC[C@@H](C)Nc1ccc(C#N)c(Br)c1 228181092 OAGHRAZWFLUOII-GFCCVEGCSA-N 309.251 5.092 30 10 DKEE Cc1ccccc1CS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 251138190 AGRBXWFLOHQFTD-RYQLBKOJSA-N 301.499 5.583 30 10 DKEE O=[N+]([O-])c1cccc(C=Nc2ccc(Oc3ccccc3)cc2)c1 252462501 STULDEFDOODCSZ-UHFFFAOYSA-N 318.332 5.138 30 10 DKEE C=CC[C@H]1CCCC[C@H]1Nc1nc(Cl)c(Cl)cc1Cl 692234545 JWUXMVZGCBLLBZ-JOYOIKCWSA-N 319.663 5.589 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc2ccccc2c1 698398050 AJATYQUTGNRQTG-GOSISDBHSA-N 324.424 5.050 30 10 DKEE N#CCc1cc(C(F)(F)F)c2sccc2c1C(F)(F)F 725324861 WALLFTTZFQJAMM-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1 1874615418 WTPMLPDFNNDWOE-XYOKQWHBSA-N 306.405 5.154 30 10 DKEE C=C(C)C[C@H](NCCC)c1cscc1OCc1ccccc1 1934835618 GWYIBSBYFNCLSF-SFHVURJKSA-N 315.482 5.334 30 10 DKEE C=CCCCCCC[C@@H](N)c1sccc1Br 1995171663 SCMLGHCZGKUAIB-GFCCVEGCSA-N 302.281 5.037 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 2000880900 ZMVYPZIXXZQOIT-PWRODBHTSA-N 324.512 5.419 30 10 DKEE CCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)c(Cl)s1 2038530614 NCAVCEYMZKTXKZ-NSHDSACASA-N 304.286 5.145 30 10 DKEE CCCCCCCCCOc1c(C)cccc1Br 2050112175 CRQNKCGSMVXTOK-UHFFFAOYSA-N 313.279 5.887 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](CC)c1ccc(C)cc1C 2070171659 GUZOJKAHATYOFT-OAQYLSRUSA-N 306.453 5.138 30 10 DKEE FC(F)(F)c1cccc(SC[C@@H](CS)C2CCC2)c1 2089758663 REXSBKKTECGBTM-LLVKDONJSA-N 306.418 5.144 30 10 DKEE C#CC(C)(C)C[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2111311924 DVARPFAGUIACLB-GFCCVEGCSA-N 318.675 5.347 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H](O)c1ccc(Cl)s1 2148581194 DDCYBOKGPXMRIE-XJKSGUPXSA-N 317.926 5.164 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(C(F)(F)F)ns1 2155025497 GMRKYNSZBFBOLP-NSHDSACASA-N 308.413 5.173 30 10 DKEE CCCCCCCCCCN[C@@H]1CS[C@H](C(F)(F)F)C1 2189226332 ZNXIJGJKTUONBS-KBPBESRZSA-N 311.457 5.153 30 10 DKEE C=CC1(CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)CCCC1 2189518118 ORWOGRJHMVOTJX-NSHDSACASA-N 316.247 5.530 30 10 DKEE C=C(C[C@H](NCCC)c1ccc(-c2cccs2)s1)OC 2205865180 JQBBSZZUVKYEIZ-ZDUSSCGKSA-N 307.484 5.068 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1c(Cl)cccc1Cl 2207428900 CWGHFLVONJUPEJ-MRXNPFEDSA-N 315.284 6.334 30 10 DKEE CCCCCCC[C@@H](N)c1c(F)cc(F)cc1Br 2218585165 UPLXBYQADFZVBE-CYBMUJFWSA-N 320.221 5.088 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1ccoc1Br 2220083900 HMOOBBVGLAWVQH-CQSZACIVSA-N 314.267 5.219 30 10 DKEE Cc1cc(C)c(CN(C)CC2(CS)CCCCCC2)s1 2234256080 OAFYXBNXXDMLMX-UHFFFAOYSA-N 311.560 5.067 30 10 DKEE Cc1cc(Cl)cc([C@H](C)Nc2ccc(Cl)cc2C#N)c1 2238010167 RFDOPDNSBHUWGE-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@@H](C)Nc1c(C)cc(Cl)cc1Cl 2240658852 XRWBBOBXUQZBPA-CQSZACIVSA-N 316.316 6.853 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1c(C)cccc1Br 2271784321 DJCOUXATZTZBJF-INIZCTEOSA-N 324.306 5.545 30 10 DKEE C=C(C)CCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1F 2271784490 SZEDCQRIWRBSII-HNNXBMFYSA-N 304.236 5.443 30 10 DKEE CCCCCCCC[C@H](C)NC1CCP(=O)(CC)CC1 2283689669 DQQSWRGROYMKNI-VXESANQCSA-N 301.455 5.261 30 10 DKEE CCCCCCCCC[C@H](C)Nc1cc(Cl)cnc1Cl 2295675417 BCLNVOIMTLWBCY-ZDUSSCGKSA-N 317.304 6.330 30 10 DKEE C=CCCN(CCCCc1ccc(OC)cc1)Cc1ccccc1 2303867430 SUUSWWVPLXNEON-UHFFFAOYSA-N 323.480 5.096 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(OC)c(Cl)s1 2340265383 OUHWKKSJTXKIHH-SMDDNHRTSA-N 301.883 5.053 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2349801836 UNLWOKNZBVMYEZ-OAHLLOKOSA-N 306.252 5.883 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)ccc1CNC1CC1 2360372642 VAXLKPBQJAGJJN-UHFFFAOYSA-N 307.890 5.205 30 10 DKEE COc1c(Cl)cc(C[C@]2(C#N)CCCC23CC3)cc1Cl 2365503439 LGRFDXSXKSDLHM-INIZCTEOSA-N 310.224 5.019 30 10 DKEE COc1ccc(/C=C2/CC/C(=C/c3ccc(Cl)cc3)C2=O)cc1 17314073 SCVPVVMRBNWPHT-MCOFMCJXSA-N 324.807 5.179 30 10 DKEE N#C[C@@H](C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 37344534 IZLNHFWJLOFZNE-CQSZACIVSA-N 324.594 5.137 30 10 DKEE CCCOc1c(C)cc(C)cc1C(=O)/C=C/c1cccs1 83193832 BHYKJFSBSFZVKZ-BQYQJAHWSA-N 300.423 5.050 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)c(Cl)c2)C1 88304106 KJNIYHOHPKXLKT-GPCCPHFNSA-N 300.254 5.414 30 10 DKEE CCCCCCCCn1c(/C=C/c2ccco2)nc2ccccc21 102192549 DQTKELJZEQHOST-CCEZHUSRSA-N 322.452 6.160 30 10 DKEE CCCCCCCCCCNC(=O)CCCCCCCCC 108396655 HGOPNCSDYPOWAY-UHFFFAOYSA-N 311.554 6.384 30 10 DKEE Cc1ccc(C#N)c(Nc2ccc(Cl)cc2C(F)(F)F)c1 110252140 SRQYILFNDLFGJT-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCCC[C@H](N)Cc1nc2ccccc2s1 115858634 UDGVNMNLGUVXLO-HNNXBMFYSA-N 304.503 5.307 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cc2sccc2s1 122698797 IYOUAWSPHJNSEO-CQSZACIVSA-N 324.559 5.998 30 10 DKEE C=C(C)CC[C@H](NC)c1ccc2cc(Br)ccc2c1 125803689 PDFGEMPFEAIHEQ-KRWDZBQOSA-N 318.258 5.219 30 10 DKEE CCCCCCCCC[C@@H](O)c1cncc(Br)c1 129017740 FBTLRYLFNWRISU-OAHLLOKOSA-N 314.267 5.018 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1sccc1Cl 162524291 GRTVCJFWXRKHFV-INIZCTEOSA-N 315.954 6.712 30 10 DKEE CCCCCCCC[C@H](Cc1cc(Cl)ccc1Cl)NC 166965772 CXSHIQAGJIOPHQ-MRXNPFEDSA-N 316.316 5.875 30 10 DKEE N#C[C@H](Sc1ccc(Br)cc1)C1CCCCC1 167874227 VYDFUOROMDZFBW-AWEZNQCLSA-N 310.260 5.014 30 10 DKEE CCCCCCCCCCOC(=O)Nc1cccc(Cl)c1 169406433 NANRWPJIGWOYGA-UHFFFAOYSA-N 311.853 6.029 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@H]1SCCS[C@H]1CC 300278243 OSKYZIJMMBGUMT-YESZJQIVSA-N 315.592 5.118 30 10 DKEE Cc1ccc(Br)c(Oc2ccc(Cl)cc2C#N)c1 699830525 UIQLZYIRYUTOFC-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccccc1Br 821996684 KYYSZYIALSQDIK-CKEIUWERSA-N 322.290 5.235 30 10 DKEE Cc1ccc(OCCCON=C2CCC(C(C)(C)C)CC2)cc1 1860465382 XZGALDZCKAUBBA-UHFFFAOYSA-N 317.473 5.373 30 10 DKEE CCCCCCCCCC[C@H](O)c1cnc(Cl)c(Cl)c1 1917240964 BHKCDHXZWZUPHG-HNNXBMFYSA-N 318.288 5.953 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1cccc(Cl)c1Cl 1919525738 QHAVKIAHUPHFLV-MRXNPFEDSA-N 302.289 5.614 30 10 DKEE C=C1CCC(N[C@@H](C)c2ccc(OCc3ccccc3)cc2)CC1 1951230517 IELGSLRXNOHVRN-SFHVURJKSA-N 321.464 5.415 30 10 DKEE N#CC1(Cc2ccc(Cl)c(Br)c2)CCCCC1 2001846725 IHRIHYPHSULKSQ-UHFFFAOYSA-N 312.638 5.119 30 10 DKEE C=CCCCC[C@@H](NC)c1c(Br)sc(C)c1C 2009485627 XILYYNONEXRWQX-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCCCCNc1cnc(C)c(Br)c1 2031594261 OFMIKPQVGAVFJH-UHFFFAOYSA-N 313.283 5.315 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccc(Br)cc1C 2040530470 RALABYBKJNCKIR-WBMJQRKESA-N 310.279 5.010 30 10 DKEE C#Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1 2049394421 YRNILPINEAFIRU-UHFFFAOYSA-N 300.357 5.039 30 10 DKEE FC1(F)CCC(SC[C@@H](CS)c2ccccc2)CC1 2088611961 GHFXLPBVIVXLMB-CYBMUJFWSA-N 302.455 5.011 30 10 DKEE C=CCCCCC[C@H](NCC)c1c(Cl)cncc1Cl 2107858810 ZTKNWMNWKUASGG-AWEZNQCLSA-N 301.261 5.176 30 10 DKEE C=CCCCCCC[C@@H](O)Cc1c(Cl)cccc1Cl 2141908518 NQKWAPOWLJSJBF-CYBMUJFWSA-N 301.257 5.423 30 10 DKEE N#C[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CCC2(CCCC2)C1 2155222902 KWPOEAJXCYIJJI-DOMZBBRYSA-N 308.252 5.961 30 10 DKEE C=CC[C@@H](NCCC)c1ccc(-c2ccc(Cl)cc2)s1 2164220021 IGDCBXBWQFHWGU-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccsc1C(F)(F)F 2179677202 JNPCDALLDIPSFE-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE CC(C)(C)C#C[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2233920837 KSYFONYXUANJIB-AWEZNQCLSA-N 304.842 5.151 30 10 DKEE C=CCCCCCCCC(=O)c1ccsc1C(F)(F)F 2235536218 TUNXBWATGHYUAK-UHFFFAOYSA-N 304.377 5.866 30 10 DKEE CCCCCCCCNc1c(Br)cccc1C#N 2257481539 FZWRAYGAGSMSBX-UHFFFAOYSA-N 309.251 5.093 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc(Br)co1 2259204549 JUARNLAVPNPRSO-CQSZACIVSA-N 314.267 5.219 30 10 DKEE CCCCCCC[C@@H](O)c1cc(F)cc(Br)c1F 2259985118 UZSZGNVFOORWAB-CYBMUJFWSA-N 321.205 5.121 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1scc(Cl)c1Cl 2273966626 QDNQRRZBLKWFDS-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE CCCCCCCCC[C@@H](CCSCC)OCCCN 2293464811 YNTGAYZTEZLGMT-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1Cl)c1ccc(Cl)s1 2295205502 VJCWGPONHWYEPW-AWEZNQCLSA-N 324.276 5.147 30 10 DKEE C=C(C)COc1ccc(Cl)cc1C=CC(=O)c1ccccc1 2322545827 JGVRDBHUFDCTGK-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](CC)c1ccc(Br)cc1 2337093976 KOABMWLGFRKUOL-KBRIMQKVSA-N 322.290 5.235 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2ccc(Cl)c(Cl)c2C)C1 2364266356 XFVZXILBYSRSIA-SUMWQHHRSA-N 313.268 5.630 30 10 DKEE CC#CCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366817526 DVNPAIRKHTUGGY-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE CCCCCCCC[C@](C)(Nc1ccsc1Cl)C(=O)O 2376337882 VFMFFFVAVJFAJC-HNNXBMFYSA-N 317.882 5.407 30 10 DKEE Fc1cccc(Cl)c1/C=N/N(c1ccccc1)c1ccccc1 6240521 HEAINMONSXOJMQ-HYARGMPZSA-N 324.786 5.651 30 10 DKEE CCN(CC)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1 59518943 REHRPCNPDPURHN-PXLXIMEGSA-N 318.420 5.142 30 10 DKEE CCCC(C#N)(CCC)Sc1ccccc1Br 90246239 MCWZBKDMWNNWPL-UHFFFAOYSA-N 312.276 5.404 30 10 DKEE Cc1ccc2nc(SCCCCCCCCCS)[nH]c2c1 97800121 SESQWPSSOHGUDD-UHFFFAOYSA-N 322.543 5.624 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1OCC(C)C 100048574 ZCYZXORROZHRAY-SFHVURJKSA-N 305.506 5.733 30 10 DKEE CCCCCCCCNCc1cn(CCC)c2ccccc12 103577776 QUGYKOKFSQEEBQ-UHFFFAOYSA-N 300.490 5.501 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1cc(C(F)(F)F)ccc1F 110258702 VDOUUXMAIOGDRF-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Br)cc1F 114874470 QNUDGDBWEBICQH-OAHLLOKOSA-N 317.242 5.372 30 10 DKEE CCCCCCCCOc1cccc(Cl)c1C[C@@H](N)CC 128747229 OWTMHTRERLRYDH-HNNXBMFYSA-N 311.897 5.359 30 10 DKEE CCCCCCCC[C@H](N)c1c(F)c(F)c(F)c(F)c1F 158935630 XIYQIPAOZVEMPU-VIFPVBQESA-N 309.322 5.133 30 10 DKEE CCCCCCC[C@H](NCCC)c1occc1Br 166469674 JEGRBNPNSLXHDA-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 228393397 LDODWXKZJJRTBL-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE CCCCCCC[C@@H](NCC)c1cscc1Br 229842204 WCTKEPKQINILGI-CQSZACIVSA-N 318.324 5.522 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccoc1Br 232951893 YUJHNKFVENPATH-CYBMUJFWSA-N 303.240 5.216 30 10 DKEE Cc1cccc(N[C@@H](C)c2ccc(Cl)cc2Cl)c1C#N 235537987 MCFFEZKRWXGFMG-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCNc1ccccc1-c1nc2ccccc2s1 257625960 AAIPRBMORBCDQU-UHFFFAOYSA-N 324.493 6.346 30 10 DKEE C=CCC[C@H](NCC)c1cc(Cl)c(C)cc1Br 393828173 IUYIHUPRIZCPMV-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE CCCCCCCC[C@@H](NCCC)[C@H](C)OCc1ccccc1 404354309 AECBSMHBUWMIQI-PZJWPPBQSA-N 319.533 5.711 30 10 DKEE C=C1CCCC[C@H]2[C@@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 606241678 VDNOLQQAMPQTRK-VJBWXMMDSA-N 317.476 5.401 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(Cl)ccc1Cl 692240833 QSDVWPRXDKUWMV-XNJGSVPQSA-N 312.284 5.779 30 10 DKEE CCCCCCC[C@H](C)NCc1c(Cl)cccc1Cl 696879781 XCLAAUIFIJYUQG-ZDUSSCGKSA-N 302.289 5.832 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@](C)(C#N)CC1CCC1 698375934 KRWRBLVKWDDJGP-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CC/C(=N\OCCCc1ccccc1)c1ccc(Cl)cc1 821218983 FXMRFYKUCGJWPV-CZIZESTLSA-N 301.817 5.104 30 10 DKEE CCCCCCCC(=O)c1c(C)sc(C)c1Br 1940492710 FOJJQWVXTPUXSO-UHFFFAOYSA-N 317.292 5.671 30 10 DKEE CCCCCCCCCN1CCC(OCc2ccccc2)CC1 1990778151 GPIBGPJPPNUALJ-UHFFFAOYSA-N 317.517 5.418 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)CC1CC1 1995320963 YDKWSRQNBOWMOM-UHFFFAOYSA-N 313.529 6.205 30 10 DKEE CC(C)C(C(C)C)[C@@](C)(C#N)Nc1ccc(Br)cc1 2087311850 BLXBZBUXWQBAGA-MRXNPFEDSA-N 323.278 5.071 30 10 DKEE C=C1CCC(CNc2cc(OC)c(Cl)cc2Cl)CC1 2138490143 KDIPWBIYEUHAPO-UHFFFAOYSA-N 300.229 5.160 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1sccc1Cl 2142444962 ZPRPUNVUJGQANI-OAHLLOKOSA-N 300.895 6.132 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(Br)cc1CC 2221732815 RGYJIHNMDGEUDZ-MRXNPFEDSA-N 312.295 5.372 30 10 DKEE C=CCCCCCCC[C@]1(O)CCC[C@H](P(C)(C)=O)C1 2235520256 XMOYLFYIEAWNJM-IRXDYDNUSA-N 300.423 5.200 30 10 DKEE C=C[C@H](CC)OC[C@H](NCCC)c1cccc(Cl)c1Cl 2239484534 RURHGNWBWQNNOQ-DOMZBBRYSA-N 316.272 5.015 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](N)c1cc(Cl)c(Cl)s1 2256708116 QSBBZFMQSVZJMZ-LLVKDONJSA-N 302.270 5.051 30 10 DKEE CC(C)(C)C#CC=CCNc1cc(Cl)c(F)c(Cl)c1 2268762615 MYFUYRGKPDKSKI-UHFFFAOYSA-N 300.204 5.150 30 10 DKEE CCCCCCCC[C@@H](NC)c1ncc(C(C)(F)F)s1 2279194607 GQFJUIXXNYXAPD-GFCCVEGCSA-N 304.450 5.266 30 10 DKEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1cc(Cl)cs1 2284103719 UFJWGYIJQMZLAD-HNNXBMFYSA-N 309.906 5.438 30 10 DKEE CCc1ccc(C(=O)C=CNc2ccc(Cl)c(Cl)c2)cc1 2293653439 FFMVCTUICPJPKP-UHFFFAOYSA-N 320.219 5.364 30 10 DKEE CCCCCCC[C@](C)(OCCCN)c1csc(Cl)c1 2294240754 UOGGAGDOMUKLSE-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cccc(Cl)c1Br 2304060106 USUXJMKYFHOZNU-CQSZACIVSA-N 315.638 5.278 30 10 DKEE CCCCCCCCNc1cc(O)c(Br)cc1C 2321052236 UCFVIILQUXPPJJ-UHFFFAOYSA-N 314.267 5.236 30 10 DKEE CC1(C)CC(CS)(COc2cc(Cl)cc(Cl)c2)C1 2321722944 MKTHHCDHBXRSKL-UHFFFAOYSA-N 305.270 5.108 30 10 DKEE CCCCCCCCC[S@](=N)(=O)C[C@H]1CC[C@H](C)CC1 2360453947 MRUWTXSDDAHDSY-ZWOKBUDYSA-N 301.540 5.610 30 10 DKEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(F)cc1Cl 37282100 TWQAVQNFOSHDMP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC[C@]1(C)CS/C(=N\c2cc(Cl)c(Cl)cc2Cl)N1 80883255 WVUSKUFSYLLEOS-GFCCVEGCSA-N 323.676 5.139 30 10 DKEE CCCCCCCCc1ccc(C(=O)C(OCC)OCC)cc1 101745611 LDINYHSCFLJWJW-UHFFFAOYSA-N 320.473 5.171 30 10 DKEE CCCCCCCCCCSc1nc2ccc(N)cc2[nH]1 112957325 RXIVSKAUXBROPK-UHFFFAOYSA-N 305.491 5.378 30 10 DKEE N#Cc1ccc(Cl)c(N[C@H](c2cccs2)C2CCCC2)c1 127810056 INSILQZOUGRKRB-KRWDZBQOSA-N 316.857 5.617 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(Cl)cccc1Cl 157826463 URTNRQCVAYEUAW-OAHLLOKOSA-N 302.289 6.134 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cccc(F)c2Br)C1 157843459 ZZYPQNPHOOSSBP-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE N#Cc1cc(Sc2ccccc2Cl)ccc1C(F)(F)F 164511434 APANMIHYIWDIMQ-UHFFFAOYSA-N 313.731 5.382 30 10 DKEE CCCCCCCCCC[C@@H](O)CCCOCc1ccccc1 200584808 OAUYCRZAPDPWFH-OAQYLSRUSA-N 320.517 5.875 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Br)c(C)s1 227753571 XZQVCNVEIKIPDJ-ZDUSSCGKSA-N 319.308 5.603 30 10 DKEE C=CCCCCCCN[C@@H](C)Cc1ccc(Br)cc1 312093082 CVPLDFVCVUBQHG-HNNXBMFYSA-N 324.306 5.106 30 10 DKEE CCCCCCCCC[C@H](O)c1ccncc1Br 395907284 MWGYBODCQLCMAB-HNNXBMFYSA-N 314.267 5.018 30 10 DKEE N#Cc1ccc([C@@H]2CCN(Cc3ccccc3)c3ccccc32)cc1 616674048 CMLITZNRXALSOK-NRFANRHFSA-N 324.427 5.100 30 10 DKEE CCCCCCCC[C@H](NC)c1oc(Br)cc1C 716231397 RZZPEMNUZYFFOY-ZDUSSCGKSA-N 316.283 5.362 30 10 DKEE N#Cc1ccc(-c2cc(Cl)cc(Cl)c2Cl)cc1Cl 1848374715 IZKRXKXRBXPKSR-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1ccc(F)c(C)c1 1857938287 PDIJBZJXMWIECU-PXLXIMEGSA-N 307.368 5.228 30 10 DKEE CCCCCCCCCOc1cccc(NC(=O)C(C)(C)C)c1 1860089704 NGYRGVURNLXWDF-UHFFFAOYSA-N 319.489 5.801 30 10 DKEE CC[C@](C)(C#N)[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921058621 CAGMWTOAEZHXSS-JKSUJKDBSA-N 305.830 5.042 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(C)c(Br)c1 2085915572 GIMPBRZZUBJPNT-INIZCTEOSA-N 311.263 5.318 30 10 DKEE CCCCCCC[C@@]1(C)Nc2cc(Cl)cc(Cl)c2O1 2088187143 URLRPLIWMSBYSZ-HNNXBMFYSA-N 302.245 5.874 30 10 DKEE CC1(C)CC[C@@]1(C#N)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2131991063 FFCJKTWZPAZVHX-TZMCWYRMSA-N 318.631 5.010 30 10 DKEE CCCCCC#CCC(=O)c1c(Cl)ccc(Cl)c1Cl 2139055082 CXUIMVRVDXMKLO-UHFFFAOYSA-N 317.643 5.803 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 2181255317 VQZTVPVIYZXDGK-VIFPVBQESA-N 302.723 5.288 30 10 DKEE C=CC[C@@](C)(NCc1ccc(C(C)(C)C)s1)C(F)(F)F 2182192750 RQRRYSAULJNFHR-CQSZACIVSA-N 305.409 5.032 30 10 DKEE FC1(F)CCC[C@@H](OCC2(CS)CCCCCC2)CC1 2207044821 YMVDUTGGEJQXOL-CQSZACIVSA-N 306.462 5.241 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccc(Cl)cc1Cl 2207430682 XHWZPXWTHHHUCZ-QGZVFWFLSA-N 314.300 6.300 30 10 DKEE C=C[C@H](CCCCC)OCc1cc(F)cc(Br)c1 2223240317 BNQACQHNISNEMS-OAHLLOKOSA-N 315.226 5.240 30 10 DKEE C[C@@H](CC(C)(C)C#N)Sc1ccc(OC(F)(F)F)cc1 2235920221 WCBXKKWJZLYOKH-JTQLQIEISA-N 303.349 5.006 30 10 DKEE C=CCCCC[C@H](NC)c1cc(Br)cc(C(C)C)c1 2265947836 UELXUZCAERUUAE-KRWDZBQOSA-N 324.306 5.579 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1c(Cl)cccc1Cl 2293884935 OVTMTLSZTXFFNX-HNNXBMFYSA-N 316.272 5.146 30 10 DKEE c1ccc2c(c1)C(=NC1CCCCC1)c1cc3ccccc3nc1-2 2296652069 QQWAGDQMBQSEFG-UHFFFAOYSA-N 312.416 5.385 30 10 DKEE Cc1c(Cl)cccc1NC=CC(=O)c1ccc(C(C)C)cc1 2296875855 IKUCQOJROVEWBH-UHFFFAOYSA-N 313.828 5.580 30 10 DKEE Cc1ccc(C(=O)C=CNc2cccc(Cl)c2Cl)cc1 2297331434 FXROHUXXHISGGF-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE CC(C)(C)[C@](C)(CS)CSc1cc(Cl)ccc1Cl 2327294662 MXMNLFZXEJNTSY-CQSZACIVSA-N 323.354 6.068 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1cc(Cl)sc1Cl 2338739081 RXLREANDXBESHG-AWEZNQCLSA-N 318.313 5.864 30 10 DKEE CC(C)C[C@@H](CS)CSCCCCCCCC1CC1 2353847917 DWSZBMBUWKIBQN-KRWDZBQOSA-N 302.593 6.062 30 10 DKEE C=CCC(CC=C)Sc1sc(CN[C@@H](C)CC)cc1C 2360374932 MLYLMSIEUMEGMH-AWEZNQCLSA-N 309.544 5.558 30 10 DKEE C=CC[C@@H]1CCC[C@H]1Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2362235036 KCSKSWVUKKGQMM-BXKDBHETSA-N 315.200 5.058 30 10 DKEE C=CCC(CC=C)C(=O)c1cccc(SC(F)(F)F)c1 2364039590 CVBZSNMDYBGYQP-UHFFFAOYSA-N 300.345 5.250 30 10 DKEE C#CCCCCCCN[C@@H](C)c1cc(Cl)cc(Cl)c1F 2364160520 KFHCWZTZFCEVBD-LBPRGKRZSA-N 316.247 5.367 30 10 DKEE CCCCCC#CC[C@H](NC)c1ccc(Cl)c(Cl)c1C 2364405740 DKAPFJIWQHIJSA-INIZCTEOSA-N 312.284 5.536 30 10 DKEE C[C@H](CC(C)(C)C#N)Oc1ccc(C(F)(F)F)cc1Cl 2366808070 QWARBAFLFUQMRB-SECBINFHSA-N 305.727 5.066 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cc(Cl)c(C(F)F)s1 2371320068 IDSDZDRAZQCQFW-CYBMUJFWSA-N 321.864 5.982 30 10 DKEE CC1C/C(=C/c2cccs2)C(=O)/C(=C\c2cccs2)C1 5445783 CZTLNKDRDKKKGJ-WGYBXSNTSA-N 300.448 5.276 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2cccs2)c(C)c1 83193649 VMKGKMZLZAVWKT-BQYQJAHWSA-N 300.423 5.050 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCC1=CC(=O)OC1 85993835 RUXYUBRFOACSMM-QKLQHJQFSA-N 302.458 5.049 30 10 DKEE biogenic N#CC1(c2c(Cl)cccc2Cl)CC(c2ccccc2)C1 86559166 NJFYZCKYBISTNT-UHFFFAOYSA-N 302.204 5.332 30 10 DKEE C[C@H]1c2ccsc2CCN1CCCCCCCCCS 97799314 PGQNXJUQQQJIKG-HNNXBMFYSA-N 311.560 5.328 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)c(Cl)cc1Cl 110155387 NRKMGKKHIMBAHG-ZANVPECISA-N 317.647 5.531 30 10 DKEE CCCCCCCCCOc1ccc(F)cc1Br 110450092 DCKMTYVOFPALJD-UHFFFAOYSA-N 317.242 5.718 30 10 DKEE CCCCCCCCCC[C@@H](O)[C@H]1CSc2ccccc21 135560179 KJVINHFIINUENI-ZWKOTPCHSA-N 306.515 5.768 30 10 DKEE CCCCCCC[C@H](NCC)c1csc(Br)c1 139579612 IXJDASMQZRDLMF-ZDUSSCGKSA-N 318.324 5.522 30 10 DKEE CCCCCCCCn1ccc2cc(Br)ccc21 142977565 FWAPXRGMHMJJRE-UHFFFAOYSA-N 308.263 5.764 30 10 DKEE CCCCCCCCOCc1ccc(N)cc1C(F)(F)F 161865699 YYNVVVHJZRRBCJ-UHFFFAOYSA-N 303.368 5.165 30 10 DKEE CCCCCCCCCn1cc(CO)c2ccc(Cl)cc21 163972580 GPKPXYOYRRCHPI-UHFFFAOYSA-N 307.865 5.538 30 10 DKEE CCCCCCCCCCCCC(=O)[C@](C)(N)C(F)(F)F 226701738 COPXOVGJIFHBIR-HNNXBMFYSA-N 309.416 5.146 30 10 DKEE Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(Cl)cc1 252641320 ZBTJSQXBMJGBPW-UHFFFAOYSA-N 300.572 5.103 30 10 DKEE CCCCCCCCCCc1ccc(C(C=NO)=NO)cc1 254309584 QHWVWJPPJNIOID-UHFFFAOYSA-N 304.434 5.008 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccccc1OCc1ccccc1 383514728 MAHJYIDQDFGRPR-OAQYLSRUSA-N 323.480 5.663 30 10 DKEE C=CC[C@@H](CC)N[C@@H](C)c1cc2cc(Br)ccc2o1 393773773 VWJRSIZZCGFNFY-SMDDNHRTSA-N 322.246 5.201 30 10 DKEE C=CCC[C@@H](N)c1ccccc1Sc1ccc(Cl)cc1 575281494 KMFSBDSFFOVAIV-MRXNPFEDSA-N 303.858 5.457 30 10 DKEE CC(C)C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698875884 RYKRGJXREXEZKG-IBGZPJMESA-N 322.493 5.275 30 10 DKEE CCCCCCCC[C@H](N)C[C@H](C)COCc1ccccc1 719195106 PZROICRBQVEGDQ-ICSRJNTNSA-N 305.506 5.307 30 10 DKEE CCCCCCCCNC(=O)[C@@H](c1ccc(F)cc1)C(C)C 1868200358 SBDRTLYGZNSXPP-GOSISDBHSA-N 307.453 5.042 30 10 DKEE C#CCCCCCN(Cc1ccccc1)[C@@H](C)c1cccs1 1914903294 LZOMRRRDQGQWML-SFHVURJKSA-N 311.494 5.505 30 10 DKEE C=C(COCc1ccccc1)[C@H](CCC1CCCCC1)NCC 1922071512 LJUNHCMQIRLFAF-NRFANRHFSA-N 315.501 5.098 30 10 DKEE C=CC[C@H](C)C(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925611572 MVLRNEWSAKFXAS-ZDUSSCGKSA-N 317.429 5.045 30 10 DKEE C[C@@H]1C[C@](C#N)(Cc2cc(Cl)sc2Cl)CCS1 2019144565 GSQLOIQLFPNQJP-PELKAZGASA-N 306.283 5.023 30 10 DKEE CC#CCCCC[C@](C)(O)c1ccc(OCc2ccccc2)cc1 2019508321 HCUZQKRWLPONQY-QFIPXVFZSA-N 322.448 5.057 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(Br)ccc1C 2045992463 LCZFPVKVSWMQLT-INIZCTEOSA-N 308.263 5.410 30 10 DKEE Cc1cc(C(=O)C=C2CCCCC2)cc(C)c1Br 2056936732 JNCKHTZHYXKLSI-UHFFFAOYSA-N 307.231 5.139 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(C)cc(Br)c2)CC1 2061179526 QHABGIIZXVZUEH-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(F)cc1Br 2085840597 ZTIGMJDBCZEAQZ-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE N#Cc1ccc(-c2csc(-c3cscc3Cl)n2)cc1 2089954536 QBAURZGILBNROG-UHFFFAOYSA-N 302.811 5.064 30 10 DKEE CCCCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1F 2139484896 KYQBHGMOLDQWTI-ZDUSSCGKSA-N 307.236 5.917 30 10 DKEE C=C([C@@H](NCCC)c1cc(C(F)(F)F)cs1)[Si](C)(C)C 2164263172 KDEWMJOHFYFYRJ-CYBMUJFWSA-N 321.484 5.241 30 10 DKEE C=CCCCC[C@H](CSc1ccc(Cl)cc1)NCCC 2179681135 LOBFCMPBCZJCQM-MRXNPFEDSA-N 311.922 5.547 30 10 DKEE CCCCCCCCCN(C)Cc1cc2cscc2s1 2195538256 ZEKRYSCWRBQUCZ-UHFFFAOYSA-N 309.544 6.145 30 10 DKEE CCCCCCCCN(C)Cc1cc(Cl)cc(Cl)c1O 2196712432 AVJOVXFHKRETCA-UHFFFAOYSA-N 318.288 5.491 30 10 DKEE C=C([C@@H](NC)c1cc(Cl)cc(C(F)(F)F)c1)C(C)(C)C 2200839793 YHUCIMIRKVXVNP-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE CCCCC#CC[C@H](NCCC)c1cc2sccc2s1 2203821286 CGXBYGQKSATRSI-AWEZNQCLSA-N 305.512 5.587 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccc(Br)s1 2214613284 MAPNWGLQYSBSOV-GFCCVEGCSA-N 317.292 5.461 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)sc1Cl 2220081736 AEIHSYZZBKBTMR-GFCCVEGCSA-N 306.302 5.971 30 10 DKEE C=CCCCCCCC[C@H](C[C@H](C)P(C)(C)=O)NCC 2235537886 FSMFWNKHALPRHO-DLBZAZTESA-N 301.455 5.283 30 10 DKEE C=CCCCCCCCC(=O)[C@H](O)c1cc(Cl)sc1C 2235541470 IKNVSUPWHQUNQT-MRXNPFEDSA-N 314.878 5.229 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(Cl)cc1OC 2279051115 VWJIIGQYBNTBDF-HNNXBMFYSA-N 319.272 5.786 30 10 DKEE CCCCC#CC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2286475480 CGFULRCVXNWYQP-QGZVFWFLSA-N 312.284 5.536 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1ccc(F)c(C)c1 2330485468 PDIJBZJXMWIECU-UHFFFAOYSA-N 307.368 5.228 30 10 DKEE CC1(C)CC(CS)(COCc2cc(Cl)cc(Cl)c2)C1 2344978244 UJPZJHDHWWMTMG-UHFFFAOYSA-N 319.297 5.246 30 10 DKEE CCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)c(Cl)cc1C 2365088339 VGVRROWGFCZNJZ-MLGOLLRUSA-N 310.268 5.002 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(OC)c(Cl)s1 2365801251 PFHQCICZAMVUKP-ZDUSSCGKSA-N 317.926 5.811 30 10 DKEE CC1(C)CC(CS)(CN2CCCC[C@H]2c2cccs2)C1 2371144647 BDGZQWMCDBSLMA-AWEZNQCLSA-N 309.544 5.011 30 10 DKEE Cc1cccc(/C=C2/CS/C(=C/c3cccc(C)c3)C2=O)c1 35080509 FTTVEJUDKAEMHH-VHVWWYSBSA-N 306.430 5.044 30 10 DKEE N#Cc1cccc(-c2csc(-c3cc(Cl)ccc3F)n2)c1 62938255 RUTCFYAYYIMSNM-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE N#Cc1ccc(Cl)cc1Sc1ccc(Cl)c(Cl)c1 88304048 WINSPERNLRTWDD-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE CCCCCCCOc1c(CNCC(C)(C)C)cccc1OC 100047953 XOILQPCKPRSVDI-UHFFFAOYSA-N 321.505 5.180 30 10 DKEE CCCCCCCC[C@@H](N)Cc1ccc(Cl)cc1Cl 103930893 CGVZSNUGOFNTEI-OAHLLOKOSA-N 302.289 5.614 30 10 DKEE CCCCCCCCNCc1cc(Br)ccc1F 105807638 MHARPEJUFSZDDU-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE CCCCCCCCCC[C@@H](Cc1cccs1)NCCC 109740636 VKRKOAOEJKDREP-SFHVURJKSA-N 309.563 6.190 30 10 DKEE CCCCCCCCOc1c(Cl)cc(Cl)cc1CCN 112904354 MLJCTZWBIIEBOY-UHFFFAOYSA-N 318.288 5.234 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cc2c(s1)CCCC2 129381094 IOBYDHBXBWXYAG-LLVKDONJSA-N 316.857 5.325 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ccncc1Cl 143492103 GQOKXVUUCLGBEK-GOSISDBHSA-N 310.913 6.046 30 10 DKEE CCCCCCCCNCc1ccccc1OC(F)(F)F 159142455 HCCAWMBBUIHQRE-UHFFFAOYSA-N 303.368 5.035 30 10 DKEE N#Cc1ccc(F)cc1CSc1ccc(Cl)c(Cl)c1 236215027 FTPSYKBFZZYOOK-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE N#Cc1cc(Cl)cc(OCc2c(Cl)cccc2Cl)c1 311972803 LFTNGOLJSICBCK-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Br)c(F)c1F 689667478 GJKSWRAOZYPKAT-GFCCVEGCSA-N 321.205 5.121 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1csc(C(F)(F)F)c1 705524318 LPJALQJPUISEDX-NSHDSACASA-N 316.735 5.097 30 10 DKEE CC[C@H]1CCCCC[C@@]1(C#N)Nc1ccc(Br)cc1 709171501 CYALYZCXFWTYFA-BBRMVZONSA-N 321.262 5.114 30 10 DKEE C=CC[C@H](C)[C@@H](NC)c1ccc2cc(Br)ccc2c1 715829312 KJNHCMVHAWFRQZ-YVEFUNNKSA-N 318.258 5.075 30 10 DKEE CCCCCCC[C@H](NCCC)c1cscc1C(F)F 720281978 QGWIWNPUVBQQEU-HNNXBMFYSA-N 303.462 6.087 30 10 DKEE C=C1CCC(COc2cc(C)cc(Br)c2C)CC1 724571514 ZEYUZUQZHIZPLM-UHFFFAOYSA-N 309.247 5.191 30 10 DKEE CCCCCCCCNC(=O)C[C@H](c1ccc(C)cc1)C(C)C 1868193894 UIEVEJQMODWCIZ-FQEVSTJZSA-N 317.517 5.601 30 10 DKEE CCCCCCCCNC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 1871277099 SZKYRQCHMJOKFR-GXTWGEPZSA-N 320.304 5.054 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1ccccc1Cl 1874574245 COWCZECICHKSHR-VAWYXSNFSA-N 312.796 5.191 30 10 DKEE CC[C@@]1(C)CCSC(=Nc2ccc(Cl)c(Cl)c2F)N1 1893165453 IORJWUFJZLDJSY-ZDUSSCGKSA-N 321.248 5.015 30 10 DKEE CC(C)(C)OC(=O)N1CCCC[C@]1(C#N)CC1CCCCCC1 1901061909 XKPUDMNDXFSLQI-LJQANCHMSA-N 320.477 5.030 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1cc(Br)cs1 2026017383 NLTPMTTWWMJUSF-CQSZACIVSA-N 316.308 5.211 30 10 DKEE C=CCC[C@@H](N)c1ccc(-c2ccc(Br)cc2)s1 2045616562 AWMGHAMXVHZZFA-CYBMUJFWSA-N 322.271 5.144 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1cc(Cl)c(Cl)s1 2045992567 MBVMQDABQOZCFN-YPMHNXCESA-N 306.258 5.198 30 10 DKEE N#Cc1cc(F)c(Cl)cc1SCc1ccc(Cl)cc1 2127963198 CRXBVRMSDVCZFN-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE SCCCCCCCCCN1CCS[C@H]2CCCC[C@@H]21 2170516329 QVLOLGPMRRUUTE-IRXDYDNUSA-N 315.592 5.007 30 10 DKEE C=CCCCCCCCC(=O)c1cc(N)ccc1Br 2227289124 YMZZMGOJAIXZOG-UHFFFAOYSA-N 324.262 5.131 30 10 DKEE CC#CCCCC[C@H](Cc1cc(Cl)ccc1Cl)NCC 2234030163 XNLLWJUEQQRUPG-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE CCCCCCCCCCCCOC[C@H](CS)C1CC1 2239504310 YZWAEAWVSXWEPX-GOSISDBHSA-N 300.552 5.880 30 10 DKEE C=C(C)CC[C@@H](NCC)c1sc(Cl)cc1Br 2244970715 FJYIIKPOPHUVHX-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=CCC[C@H](C)C(=O)c1cc(F)c(Br)cc1Cl 2248028094 FBFMJCXJEXGNJN-QMMMGPOBSA-N 319.601 5.027 30 10 DKEE Cc1cc(Br)ccc1S[C@@H]1C[C@@H](C)CC[C@@H]1C#N 2257002603 WUZZPAHHUJTQNT-JVLSTEMRSA-N 324.287 5.178 30 10 DKEE C=CCCSC[C@@H](NCCC)c1cc(Cl)ccc1Cl 2271589018 CWZUSJGTHIMKKT-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2286526924 XJMFBXNTCPVYPF-KRWDZBQOSA-N 314.300 6.089 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(SC(F)(F)F)cc1 2287467878 XWUXLGILZMCEMY-AWEZNQCLSA-N 304.377 5.468 30 10 DKEE Cc1ccc2nc(Cl)c(C=CC(=O)c3ccccc3)cc2c1 2296756207 MFYDEDLDTMYCBI-UHFFFAOYSA-N 307.780 5.093 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(Br)ccc1C 2321144229 GQLAIRGDLDNATL-HOTGVXAUSA-N 310.279 5.010 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2338697157 VICPCVAJEGBLQW-HNNXBMFYSA-N 318.675 5.676 30 10 DKEE CCCCCCCCCNCc1nc(C(F)(F)F)cs1 2360809363 KYKIBWPFMFRAMP-UHFFFAOYSA-N 308.413 5.002 30 10 DKEE C=C1CCC(C[C@@H](O)CCc2cc(Cl)cc(Cl)c2)CC1 2366861226 OUGWOGZALDTSNH-KRWDZBQOSA-N 313.268 5.423 30 10 DKEE CC1(C)OC(c2ccccc2)=C/C(=C\C=N\c2ccccc2)O1 33921830 SBPHHBVLLPUILD-ORCQZHJASA-N 305.377 5.097 30 10 DKEE Clc1cc(Cl)cc(/N=C2\NC[C@H](c3ccccc3)S2)c1 35083686 BAWCVJYTURXYHY-CQSZACIVSA-N 323.248 5.059 30 10 DKEE Cc1ccc(/C=N/c2ccc(C(=O)c3ccccc3)cc2)s1 59518985 ISTBRAMWONKSNY-DEDYPNTBSA-N 305.402 5.038 30 10 DKEE N#Cc1cc(Nc2cc(Cl)ccc2Cl)nc2ccccc12 68771882 PLHKUMLDXNNMDV-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE FC(F)(F)c1cc(/N=C/c2ccccc2)cc(C(F)(F)F)c1 79162887 WFKMKLYNZWOGGA-LSFURLLWSA-N 317.232 5.475 30 10 DKEE O=C(/C=C\c1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 96766989 QBYUZARAUDAKIZ-HJWRWDBZSA-N 316.278 5.348 30 10 DKEE CCCCCCCCC[C@H](Cc1cccc(Cl)c1)C(=O)O 109672951 FMCHZCZKQMOUHG-MRXNPFEDSA-N 310.865 5.724 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(Br)o1 125014996 KDHCMUSVFARQQW-ZDUSSCGKSA-N 316.283 5.443 30 10 DKEE CCCCCCCc1nc2c(C)cc(Br)cc2[nH]1 129764341 IDWYFOQHFYTNTR-UHFFFAOYSA-N 309.251 5.147 30 10 DKEE Cc1ccc(Sc2cccc(Br)c2C#N)c(C)c1 168997739 XUBIIKPKYUNTNQ-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE Cc1ccc(Cl)c(Nc2ccc(Br)cc2C#N)c1 232244911 MNUQYNCVYXOFDC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C[C@@H](Nc1cccc(F)c1C#N)c1cccc(Cl)c1Cl 235215552 WCIKTTYLYBFTPM-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@H](NC)[C@H]1CCCC[C@H]1C(F)(F)F 252988480 XWVXQXVVVYGGBN-XHSDSOJGSA-N 307.444 5.694 30 10 DKEE CCCCCCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@H]1CCCC(=O)OC 263588977 BEUIOIYFOPNKNN-WTGUMLROSA-N 322.533 6.133 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1ccsc1Cl 312537880 IELKWBAMXVBMQI-INIZCTEOSA-N 315.954 6.583 30 10 DKEE CCCCCCCC(=O)CCc1cc(Cl)cc(Cl)c1 722124647 CUPJCOGENQPDAT-UHFFFAOYSA-N 301.257 5.856 30 10 DKEE C=C1CCC(COc2cc(C)c(Br)c(C)c2C)CC1 724569721 LFXYSNWWKVNROR-UHFFFAOYSA-N 323.274 5.500 30 10 DKEE N#CCc1csc2c(C(F)(F)F)ccc(C(F)(F)F)c12 725324256 BJCOKCWTIKLZMK-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE C=C(C)CSc1nc(-c2ccc(Cl)c(Cl)c2)cs1 1860802114 RWRABBUNZICAGI-UHFFFAOYSA-N 316.278 5.785 30 10 DKEE N#Cc1cnc(Sc2ccc(Cl)c(Cl)c2)c(Cl)c1 1917225236 ATLIFPTWHHYQBZ-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)[C@@H](C)C(C)C 1931998237 INWDBGZZWIWSBS-KRWDZBQOSA-N 307.547 5.269 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCC[C@@H](C)C1 1980285037 CUMGNTMFWJQFCV-YYAJDYIMSA-N 322.493 5.131 30 10 DKEE CCC(=CC(=O)c1cc(Cl)cc(Br)c1)CC 1993489749 USRLIEUXCLKXSM-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C#C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O 2054814471 XTZUIIMXQHORMY-KUBAVDMBSA-N 324.464 5.772 30 10 DKEE C[C@H]1CC=C(C(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 2060911971 BILXISRNLTWFOC-QMMMGPOBSA-N 303.616 5.576 30 10 DKEE O=C1CCCCC=C1c1c(Cl)cc(Cl)c(Cl)c1Cl 2063569687 PRYLOFCMLURVRT-UHFFFAOYSA-N 324.034 5.827 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccccc1Br 2085842080 NDDSSPMDZLZGKK-MRXNPFEDSA-N 310.279 5.366 30 10 DKEE C=CC(C)(C)CCn1c(S)nc2ccc(Cl)c(Cl)c21 2103437039 ATKJIMKGEVECCV-UHFFFAOYSA-N 315.269 5.234 30 10 DKEE C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2Cl)c2ccsc2S1 2152748169 YEFHDIRXEMYPQI-NOZJJQNGSA-N 320.870 5.311 30 10 DKEE CCCCCCC[C@@H](NCC)[C@@H](O)c1cc(Cl)sc1C 2154447346 OYLBZTTYXDMIIC-ZBFHGGJFSA-N 317.926 5.082 30 10 DKEE CC1(C)CCC(C#N)(Cc2cc(C(F)(F)F)cs2)CC1 2161275182 SYOOERZVUSSQQB-UHFFFAOYSA-N 301.377 5.420 30 10 DKEE O=C(C1=CCCCCCC1)c1cc(-c2cccs2)cs1 2163967340 OOFLZUPXMMHJNN-UHFFFAOYSA-N 302.464 5.940 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1c(F)ccc(F)c1Cl 2164225863 BAIOMTVEEHHTJR-ZBEGNZNMSA-N 301.808 5.261 30 10 DKEE CCCCCCCCCC[C@H](O)c1snc(OC)c1Cl 2164499897 YGJLYUBBBGDUJK-LBPRGKRZSA-N 319.898 5.369 30 10 DKEE CCCC(CS)(CCC)CN(C)CC(C)(C)C(F)(F)F 2173257051 AXJBRWREPYWYIW-UHFFFAOYSA-N 313.473 5.023 30 10 DKEE CCCN[C@H](C)c1cscc1-c1ccc(Cl)c(C#N)c1 2197930711 JQEYLIDZJXOBRU-LLVKDONJSA-N 304.846 5.001 30 10 DKEE C=CC1(C[C@H](Cc2cc(Cl)cc(Cl)c2)NCC)CCC1 2203949907 DPACDEOGMYHXMV-INIZCTEOSA-N 312.284 5.260 30 10 DKEE C=C1CC([C@H](NCCC)c2c(Cl)ccc(Cl)c2OC)C1 2204236506 QRRDOUKQEGHIIY-HNNXBMFYSA-N 314.256 5.009 30 10 DKEE CCCCCCCCCOCc1cscc1Br 2216929048 BQTFFXVOCJICFZ-UHFFFAOYSA-N 319.308 5.778 30 10 DKEE C=CCCCCCCCNCCc1cc(Cl)sc1Cl 2227268690 RVWPHRCXIOZNSZ-UHFFFAOYSA-N 320.329 5.714 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1c(Cl)cccc1Cl 2231512805 PJDJHPNPWNRSPG-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cscc1C(F)F 2235512157 ATORKECSXHFVKH-HNNXBMFYSA-N 301.446 5.863 30 10 DKEE C=CC1(n2c(S)nc3cc(Cl)c(C)cc32)CCCCC1 2236862175 CANKJSQFAPJCTR-UHFFFAOYSA-N 306.862 5.132 30 10 DKEE CCCCCCCCCCOCC1(CS)CCCCC1 2239501522 RAVHCUXYQVHHSW-UHFFFAOYSA-N 300.552 6.024 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2277674668 FXDSPICPIDBNDC-SNVBAGLBSA-N 311.800 5.259 30 10 DKEE C=C(C)CCCCNc1cc(Cl)ccc1OC(F)(F)F 2287472200 IHNWHNRFQKGBRM-UHFFFAOYSA-N 307.743 5.397 30 10 DKEE CSCC1(CC2(C#N)CCCCCCC2)CC(F)(F)C1 2289667655 DPRHQVUYCFMBEP-UHFFFAOYSA-N 301.446 5.409 30 10 DKEE CCOc1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)cc1 2296876032 RSKVEVUIQOXNNC-UHFFFAOYSA-N 309.409 5.017 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1c(Cl)ccc(Cl)c1F 2344337206 OTLRUGZNYNGGGX-BMIGLBTASA-N 304.236 5.385 30 10 DKEE Cc1c(Cl)ccc([C@@H](C)[C@@]2(C=O)CCCSC2)c1Cl 2353222776 QCVAEQWGGCPRDZ-IAQYHMDHSA-N 317.281 5.118 30 10 DKEE C[C@@H]1O[C@H](C)C[C@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366901210 VVJOKHCPEHIQIT-WQGACYEGSA-N 312.240 5.023 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 2370518552 LSWRCWHFCVINPX-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE Cc1ccsc1/C=C1/CC/C(=C/c2sccc2C)C1=O 34781641 XKCBZCGKBJNAPF-FOIMCPNXSA-N 300.448 5.256 30 10 DKEE N#CC1(c2ccccc2)CC(Nc2ccc(Cl)cc2Cl)C1 86035910 UWFFTGMFHJRVEQ-UHFFFAOYSA-N 317.219 5.029 30 10 DKEE Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC(C)C)cc1 96887950 VRUCQRXSOYHBPO-CSKARUKUSA-N 314.812 5.332 30 10 DKEE CCCCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1 100168434 IJYJJWLNSVBROI-UHFFFAOYSA-N 310.441 5.729 30 10 DKEE CCCCCCCCCCCCCC(=O)Nc1ccccc1F 100441934 AAKOKCKMYQCYKY-UHFFFAOYSA-N 321.480 6.465 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(C)c(Br)c1 125789971 VXTWLZSIJGSJPF-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(F)c(Cl)cc1F 162284063 OVTCAXOURNDCTA-KRWDZBQOSA-N 317.851 6.149 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Cl)ccc1Br 236315651 WZHUFIALINBZEV-CQSZACIVSA-N 316.670 5.239 30 10 DKEE CCCCCCCCOCC(C)(C)CNCc1ccccc1 309796320 LWARQKYMCAKVKD-UHFFFAOYSA-N 305.506 5.180 30 10 DKEE C=CCC(C)(C)CN[C@@H](CC)c1ccc(Cl)cc1Cl 311922930 SRDOCFPTWGEUOF-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE N#Cc1cccc(CNc2cc(Cl)c(Cl)c(Cl)c2)c1 404190150 FDBIVIDQDSVAID-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE N#C[C@@H](CNc1cc(Cl)c(Cl)c(Cl)c1)C1CCCC1 404247599 LDZYVSGDPKXGLU-JTQLQIEISA-N 317.647 5.389 30 10 DKEE CCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698379869 IHMOUFBAFQJBPF-KRWDZBQOSA-N 322.493 5.419 30 10 DKEE CCCCCCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 703716950 JOQJBBSGDBKGNI-UHFFFAOYSA-N 305.205 5.284 30 10 DKEE CC(C)C[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 710782869 KTSFFVXISGPZTB-WBVHZDCISA-N 316.445 5.002 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cccc(OCc2ccccc2)c1 715719803 LGKOTZCWFDEDNE-UTKZUKDTSA-N 309.453 5.128 30 10 DKEE C=C1CCC(CNc2c(C)cc(Br)cc2C)CC1 724550706 YWLOGHZSTGYYJQ-UHFFFAOYSA-N 308.263 5.224 30 10 DKEE C#C[C@H](C)c1cc(Cl)cc(Cl)c1NC(=O)OC(C)(C)C 1951828061 CFUVWVNHGVJLDX-VIFPVBQESA-N 314.212 5.077 30 10 DKEE N#C[C@]1(Cc2cc(Cl)ccc2Br)CCCC12CC2 2053362971 AUSZEKYEZYBFTF-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Cl)c(Cl)c1)C(C)(C)C 2096622279 ULJPBGSTWIAQQF-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1scnc1Cl 2142446055 MINZVSNJSYUABY-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE C[C@H]1C[C@](C#N)(CC2CCC(C(F)(F)F)CC2)CCS1 2159721279 VBQFAFPASXNTMO-ABXWRUBCSA-N 305.409 5.171 30 10 DKEE CC#C[C@@H](NCCC)c1ccc(-c2ccccc2Cl)s1 2164219739 FYSWYOHASCTKKG-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CC1(C)CCC[C@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 2168520294 YORVPRMDNDUJHB-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE CCc1ccc(C#N)c(Nc2c(Cl)ccc(C)c2Cl)c1 2188847091 QIIOOLHYCHCILM-UHFFFAOYSA-N 305.208 5.480 30 10 DKEE C=CCCCCCCC[C@H](N)c1cccc(Cl)c1Cl 2227270856 IKTXDEHFMKINAB-HNNXBMFYSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(C)ccc1Br 2227271515 ASSKSKHGCKKRJZ-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE CCCCCCCC[C@H](C)NCc1snc(Cl)c1Cl 2231941852 SUSLJEYBWKPBFM-NSHDSACASA-N 323.333 5.679 30 10 DKEE C=CCCCCCCCn1ccc2c(Cl)cc(Cl)cc21 2235541755 LHCMQHHASQOERX-UHFFFAOYSA-N 310.268 6.475 30 10 DKEE CCCCCCCCCCC[C@H](NCCC)P(C)(C)=O 2237198377 ZLWWVRCKHFLSQQ-QGZVFWFLSA-N 303.471 5.856 30 10 DKEE C=CCCCCCCCNCCCC(F)(F)C(F)(F)F 2240426708 LMIIARVHQZTAAJ-UHFFFAOYSA-N 301.343 5.080 30 10 DKEE O=C(C1=CCCC1)c1c(Cl)cc(Br)cc1Cl 2243526321 QCWVTCOADABKBM-UHFFFAOYSA-N 320.013 5.049 30 10 DKEE C=C(C)CCCC[C@H](N)c1cccc(OCc2ccccc2)c1 2244634799 UWTUWQBWVNNGLI-NRFANRHFSA-N 309.453 5.402 30 10 DKEE C=CCCCSC[C@H](NCC)c1c(Cl)cccc1Cl 2271490191 KOJWPAKRPAFUCS-AWEZNQCLSA-N 318.313 5.343 30 10 DKEE C=CCCSC[C@H](NCC)c1c(Cl)ccc(F)c1Cl 2271597219 RVLJNXJNQOTTKD-LBPRGKRZSA-N 322.276 5.092 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(Cl)c(OC)cc1Cl 2281532727 SHJCGKDORYOUKC-HNNXBMFYSA-N 317.256 5.562 30 10 DKEE C=CCCCCCCCSc1ccc([C@H](C)O)c(Cl)c1 2287182202 NFVZATYQPQXVOP-AWEZNQCLSA-N 312.906 6.012 30 10 DKEE CCCCCCC[C@](C)(OCCCN)c1ccc(Cl)s1 2294281052 IKMYQLVONHTZRA-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cc(Cl)cc(Br)c1 2304057401 CUCBLYHFCZQLAN-ZIAGYGMSSA-N 316.670 5.095 30 10 DKEE c1ccc(C(ON=C(c2ccco2)C2CC2)c2ccccc2)cc1 2330358539 LMDONIQCMDVUHM-UHFFFAOYSA-N 317.388 5.200 30 10 DKEE CCSc1ccc(C(=NOCc2ccccc2)C2CC2)cc1 2330390497 CMHBEWZSZKFEQX-UHFFFAOYSA-N 311.450 5.130 30 10 DKEE C=C1CC([C@H](NCCC)c2c(Cl)cc(F)cc2Cl)C1 2335365969 RFDXDIDVNAFUES-HNNXBMFYSA-N 302.220 5.139 30 10 DKEE C=C(C)CN(CCCc1cc(Cl)cc(Cl)c1)C(C)C 2341138973 VMDSDUCRWSATSI-UHFFFAOYSA-N 300.273 5.213 30 10 DKEE C=CC[C@H](CCCc1cc(Cl)cc(Cl)c1)CNCC 2341197269 JVWLVXSCIRNLLL-CYBMUJFWSA-N 300.273 5.118 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1c(Cl)cc(C)cc1Cl 2352817379 XWBOPPUVIWOJLY-HOTGVXAUSA-N 300.273 5.555 30 10 DKEE C=CCCSCCN[C@H](C)c1ccc(Cl)c(C)c1Cl 2353055130 SNKJZGLESVLJEZ-GFCCVEGCSA-N 318.313 5.262 30 10 DKEE C=C1CC(CNCCC)(Cc2ccc(Cl)c(Cl)c2C)C1 2364056446 QUFLJGXYSDHSHT-UHFFFAOYSA-N 312.284 5.180 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Cl)cc1C(F)(F)F 2370537535 YUCPJMFBBBQFSW-ZIAGYGMSSA-N 305.771 5.351 30 10 DKEE CC1(C)CC(CS)(CN2CCCC[C@@H]2c2cccs2)C1 2371144648 BDGZQWMCDBSLMA-CQSZACIVSA-N 309.544 5.011 30 10 DKEE O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CCCc2ccccc21 104051 WCARSTXMLBPBTN-QINSGFPZSA-N 316.322 5.308 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 14549888 IKBBIMDKUDFHDE-QKLQHJQFSA-N 321.395 5.217 30 10 DKEE CCN(CC)c1ccc(/C=N/c2ccc(N(CC)CC)cc2)cc1 17969367 ACCLOLTYOSKUSN-OQKWZONESA-N 323.484 5.130 30 10 DKEE CC(C)c1ccc(-c2nc3ccc(Cl)cn3c2[C@H](C)C#N)cc1 31921556 NZLWFOGCYICDRA-CYBMUJFWSA-N 323.827 5.405 30 10 DKEE N#C[C@@H](C(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)c1 37344642 GBSUUFQIBHBNED-LLVKDONJSA-N 324.594 5.137 30 10 DKEE CCCCCCCCc1ccc(-c2ccc(C(=O)O)c(C)c2)cc1 44417321 OQAYVUYVRCAPCT-UHFFFAOYSA-N 324.464 6.263 30 10 DKEE N#Cc1cc(N[C@H](c2cccs2)C2CCCC2)ccc1F 51636107 XKPCKNQDCTZHPF-KRWDZBQOSA-N 300.402 5.102 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(F)cc2Br)C1 87972674 RTDZYKKOTASVNC-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE C=CCSc1ccccc1NCc1cc(C)n(CC)c1C 93694739 ITQYSCOEBICXMP-UHFFFAOYSA-N 300.471 5.015 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ncc(Cl)cc1Cl 128419715 CRFWQABPYZYGME-OAHLLOKOSA-N 318.288 5.953 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)[C@@H]1CCCS1 130091647 JVDMGQAFPKXWMR-SJORKVTESA-N 300.556 5.025 30 10 DKEE CCc1ccccc1C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 161933960 LKJWDMDFNPYXQZ-HNNXBMFYSA-N 318.203 5.046 30 10 DKEE Cc1cccc(Cl)c1Nc1ccc(C(F)(F)F)c(C#N)c1 164482300 FVEHNRWPJSVDFQ-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(C)ccc1Br 167703553 GFEALUVIVDUMQT-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(Cl)cc1Br 233122891 NKPQAQTVVKGLRD-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE Cc1ccccc1-c1nc2cc(N=Cc3cccs3)ccc2o1 252462152 QGAKLLJNZRUHOW-UHFFFAOYSA-N 318.401 5.615 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 715749194 MIUCBPZVUSTPNA-YVEFUNNKSA-N 324.306 5.319 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1NCCc1cc(Cl)cc(Cl)c1 722129348 JZLKBZLUJVQNOC-RHSMWYFYSA-N 312.284 5.260 30 10 DKEE CCCCOc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1 1083992571 GXQUFVHIGSKPMZ-UHFFFAOYSA-N 316.832 5.273 30 10 DKEE CCCCOc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1 1614826014 SILOATZWTUZVJD-UHFFFAOYSA-N 318.338 5.284 30 10 DKEE Cc1ccc(C#Cc2ccc(Cl)c(Br)c2)cc1C 1614827560 DRDVEPXBRSKCCO-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CCCCc1ccc(C(=O)/C=C/c2ccccc2OCCC)cc1 1874573243 DCZVXMZEMFJROZ-FOCLMDBBSA-N 322.448 5.714 30 10 DKEE C=C1CCC(C[S@](=N)(=O)c2ccc(Cl)c(Cl)c2)CC1 1879721611 UIWYHCFUIPFPGN-IBGZPJMESA-N 318.269 5.145 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1N(Cc1ccccc1)Cc1cccs1 1915384623 GXSYQJKPXQXKBZ-AZUAARDMSA-N 324.493 5.223 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)[C@H](C)C(C)C 1917919919 AJUINIPAUOXVNS-XLIONFOSSA-N 303.556 5.999 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1ccc(Cl)cc1Cl 1919912367 JCYWSWPYFXHFGB-MRXNPFEDSA-N 303.273 5.647 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)CC1(CS)CCCCC1 1932039172 QUNULONLFWDFEA-UHFFFAOYSA-N 319.558 5.415 30 10 DKEE C=CCCCCNc1ccc(Br)c(Cl)c1F 1984510332 LAJAJQVIBWYLIX-UHFFFAOYSA-N 306.606 5.010 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(C)sc2Br)CC1 2010764598 OIKSDSCGSJLKBL-JTQLQIEISA-N 313.260 5.138 30 10 DKEE C=CCCCCCC[C@@H](N)c1sc(C)cc1Br 2026005087 VBNGAGODVYNQJN-CYBMUJFWSA-N 316.308 5.345 30 10 DKEE FC(F)c1cc(Cl)c(C(F)(F)F)c(OC(F)(F)F)c1 2054958341 FZCIUBQAXQUAFW-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCCCCC(=O)c1cc2cccc(Br)c2o1 2059124478 VMYNFMOQYZUQQU-UHFFFAOYSA-N 307.187 5.124 30 10 DKEE C=CCCCCC[S@](=N)(=O)c1cc(Cl)cc(Cl)c1 2073737702 CSSFSMURGYZARF-SFHVURJKSA-N 306.258 5.145 30 10 DKEE C=CCCCCCCCC[C@H](N)c1occc1Br 2086279228 QREHQQDHEFTQME-AWEZNQCLSA-N 314.267 5.349 30 10 DKEE CCCCCCCCCCCCS[C@H](C)[C@H](C)C(=O)O 2145195680 YKCSGXHNGYGGRC-JKSUJKDBSA-N 302.524 5.750 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1c(Cl)cccc1Cl 2149858045 OIJORRKIFITBQP-INIZCTEOSA-N 310.268 5.228 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H](O)c1csc(Cl)c1 2154420637 ALPVKGJBZNPSIM-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE C=C1CCC(N[C@@H](c2ccco2)c2ccc(Cl)s2)CC1 2157442842 HUYNJWDKZMCCQP-INIZCTEOSA-N 307.846 5.172 30 10 DKEE C=C1CC(C[C@H](Cc2cc(Cl)cc(Cl)c2)NCCC)C1 2203977647 NWEHXVXGCXSGON-QGZVFWFLSA-N 312.284 5.260 30 10 DKEE CCCCCCCCC[C@@H](NCC)C1(P(C)(C)=O)CC1 2204451275 ZIMJQFQFTXASPZ-MRXNPFEDSA-N 301.455 5.261 30 10 DKEE C=CCCCCCCCCOC[C@@H](N)c1ccc(Cl)s1 2234045770 YMJYVZSXZBPUEV-CQSZACIVSA-N 315.910 5.335 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)cc(F)c1Cl 2239684642 RWKYYZJARSDZKK-OAHLLOKOSA-N 320.279 6.144 30 10 DKEE C=C(COCC[C@H](C)CCCC(C)C)B1OC(C)(C)C(C)(C)O1 2248814605 CUVSTNYOBXNGFR-MRXNPFEDSA-N 324.314 5.043 30 10 DKEE N#Cc1ccc(Cl)cc1SC[C@@H]1CCCCC1(F)F 2267994806 DKKQKCMRNCATRO-NSHDSACASA-N 301.789 5.129 30 10 DKEE CCc1c(-c2cc(Cl)c(Cl)cc2C)sc(C#N)c1N 2270989755 LHRMIIMUHSTPAB-UHFFFAOYSA-N 311.237 5.047 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1cc2cscc2s1 2289684998 QWXFYDNATAJVHT-OAHLLOKOSA-N 303.496 5.197 30 10 DKEE CN[C@H](CC#CC1CCCC1)c1cc2sc(C)cc2s1 2289854123 GTWZFKCVCCUARD-CQSZACIVSA-N 303.496 5.115 30 10 DKEE CCCCCC=CCCCC(=O)CCCCCCCCCC 2293783489 YLNMHCDVFVPONQ-UHFFFAOYSA-N 308.550 7.393 30 10 DKEE CCOc1ccc(Cl)cc1C=CC(=O)c1ccc(CC)cc1 2322359628 YVEGSKVWBZHQRU-UHFFFAOYSA-N 314.812 5.197 30 10 DKEE CCSc1ccc(C(C)=NOCCCc2ccccc2)cc1 2330501170 YDSASNPCDCKJSO-UHFFFAOYSA-N 313.466 5.172 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cc(OC)c(Cl)s2)CC1 2365884403 IIRAMQUYRSDIGW-CYBMUJFWSA-N 313.894 5.197 30 10 DKEE C=CC[C@@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366806346 SGZAPTSYIXYEBU-CXAGYDPISA-N 314.300 5.506 30 10 DKEE C(#Cc1ccccc1)/C=C/c1ccc2ccc3ccccc3c2c1 2077591 MYCUSYMTPDLKOB-VZUCSPMQSA-N 304.392 6.058 30 10 DKEE CCCCCCC[C@H](CNC1CC1)Cc1ccccc1Cl 110521167 ISAHGNXALSYDRJ-INIZCTEOSA-N 307.909 5.611 30 10 DKEE CCCCCCCCC[C@H](Cc1ccc(Cl)cc1)C(=O)O 111761994 VWQLLRGTDZBXGO-MRXNPFEDSA-N 310.865 5.724 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)ccc1Br 117544406 GVAMHBDVCOIMJI-AWEZNQCLSA-N 319.670 5.496 30 10 DKEE CCCCCCC[C@H](NCC)[C@@H](C)Oc1cccc(Cl)c1 139551315 OYIATXNAPUOVFP-QAPCUYQASA-N 311.897 5.446 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(F)c(Br)c1 163739275 IVSWERXDIFHTAE-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE Cc1nc(Cl)c(C#N)c(C)c1Cc1ccc(C(C)(C)C)cc1 212475069 UDHWIMXWUXAILU-UHFFFAOYSA-N 312.844 5.112 30 10 DKEE CCCCCCCCNC[C@@H](c1cccs1)N(CC)CC 257628978 FCDRCURDMIQWIC-KRWDZBQOSA-N 310.551 5.081 30 10 DKEE CC(C)CC(CC(C)C)Nc1ccc(C#N)c(Br)c1 311869145 RVQUCKBZNRQVFP-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE CCCCCCCCCCCC(=O)c1ccsc1Cl 312551421 DZAJWSHGUSYMOQ-UHFFFAOYSA-N 300.895 6.505 30 10 DKEE Cc1cccc(C#N)c1Nc1cc(Cl)c(Cl)c(Cl)c1 404253593 KTQVRQDVAUQZHA-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)CC1CCCCCC1 698836414 AVSAWKFJGDFAIZ-QGZVFWFLSA-N 322.493 5.132 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(Cl)c1Cl 709352828 DZJVNUFQLNOQNI-XJKCOSOUSA-N 312.284 5.779 30 10 DKEE Fc1c(C(F)(F)F)ccc2c(SC(F)(F)F)csc12 725305342 ZKBZPCHGKMWWKP-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE FC(F)(F)c1cccc(C#Cc2ccccc2C(F)(F)F)c1 1614827609 MOKVSMCKANVUHN-UHFFFAOYSA-N 314.228 5.124 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccnc(C2CC2)c1 1865986012 HYRSKCKYJQGMBP-UHFFFAOYSA-N 316.489 5.818 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1 1914968905 VTIUHKRYAIWWLH-UHFFFAOYSA-N 322.496 5.157 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(Cl)cc1Cl 1920028466 ZJMLZQMJZBBZEA-INIZCTEOSA-N 303.273 5.952 30 10 DKEE C=C([C@@H](NCCC)c1ccc(SCC)cc1)[Si](C)(C)C 1922967687 HZAYLISNOPCNOW-QGZVFWFLSA-N 307.579 5.273 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)cc(Cl)c1)[Si](C)(C)C 1922974300 QVGIFSYMNYLFBO-HNNXBMFYSA-N 316.348 5.468 30 10 DKEE C=CCC[C@H](NCCC)c1c(Br)sc(C)c1C 1951107052 DNEBZZBMYLMUNY-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCCCCCCCCC[C@H](O)CCOCc1ccccc1 1995326162 UNMRXEYFRCLWAB-NRFANRHFSA-N 318.501 5.651 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(C)c(Br)c1 2085839020 KABIHAUGBGHTAD-INIZCTEOSA-N 310.279 5.284 30 10 DKEE C=C(Br)CCNc1cccc(Oc2ccccc2)c1 2107185277 OZUOWNGDJMJNLH-UHFFFAOYSA-N 318.214 5.190 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107948584 JJLHFXBRWWIRDU-BONVTDFDSA-N 320.691 5.900 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1ccc(Cl)cc1Cl 2148596091 PJMJZNJZLNFLOH-CVEARBPZSA-N 318.288 5.105 30 10 DKEE CCCN[C@H](C#Cc1ccccc1)c1scc(Cl)c1Cl 2152521805 CQSXPIYVCBPKNP-CQSZACIVSA-N 324.276 5.147 30 10 DKEE C=CCCC[C@H](NCC)c1cccc(SC(F)(F)F)c1 2164162138 NGEBYTLPLUVYMR-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE CCN[C@@H](CC#CC1CCCCC1)c1cc(C)c(Cl)s1 2165430889 ZCKWHOIAOZKNKH-HNNXBMFYSA-N 309.906 5.334 30 10 DKEE Cc1nc(Oc2ccc(C#N)c(Cl)c2)sc1C(C)(C)C 2186488275 IYDPDUFOQULVIT-UHFFFAOYSA-N 306.818 5.066 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](NCC)c1ccc(Cl)s1 2207453275 LCGQCURPWMHUFY-CJNGLKHVSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCOc1c(N)ccc(Cl)c1Cl 2230983936 QHFZJFFTEYEGRB-UHFFFAOYSA-N 304.261 5.705 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1c(Cl)cccc1Cl 2231512804 PJDJHPNPWNRSPG-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)Cc2cccc(Cl)c2Cl)CC1 2235754097 PMTPKLYUKHOFEO-GFCCVEGCSA-N 311.252 5.488 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2csc(C)c2Br)CC1 2303607026 VEMKMLLZDCGLMP-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1sc(Br)c(C)c1C 2304053570 WQNGHQDGSWGCQS-CQSZACIVSA-N 315.276 5.303 30 10 DKEE C=CCC(C)(C)C(=O)c1cc(Br)cc(C(C)(C)C)c1 2344409105 ISRVRKFURLHWAU-UHFFFAOYSA-N 323.274 5.532 30 10 DKEE C=CCCCC[C@@H](OCCN)c1ccc(Cl)c(Cl)c1C 2365971320 RZNKOUHSHCNZLU-OAHLLOKOSA-N 316.272 5.065 30 10 DKEE C=C(CC)C[C@@H](OCCCN)c1ccc(Cl)c(Cl)c1C 2365978026 LDIICQZXOLDCSK-OAHLLOKOSA-N 316.272 5.065 30 10 DKEE CC1CC(CS)(COc2ccc(C(F)(F)F)cc2Cl)C1 2366820818 YVZGIZSINUUVGI-UHFFFAOYSA-N 324.795 5.084 30 10 DKEE N#CC1(Cc2cc(F)c(Cl)cc2Cl)CCC2(CC1)CC2 2377393803 BKSQCEHRRFBKSG-UHFFFAOYSA-N 312.215 5.539 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1sccc1C)[C@H]1CC=C[C@H]21 14456075 JSMRUJMQBUJTLD-ALKREAHSSA-N 323.461 5.448 30 10 DKEE C[C@H](Nc1cccc(F)c1C#N)c1cc(Cl)ccc1Cl 36138648 OYTDFWQOILTAOA-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)cc1F 52902375 YGKBRIJNSHYJAV-UHFFFAOYSA-N 314.410 5.045 30 10 DKEE N#CC[C@@H](Sc1ccc(Br)cc1)c1ccccc1 55022652 XQYRQVBTGOVFNB-OAHLLOKOSA-N 318.239 5.196 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)c(Cl)c2)C1 88304061 OZFZBSLMUOTWJS-UEKVPHQBSA-N 314.281 5.804 30 10 DKEE SCC1(COc2ccc(Cl)c3ccccc23)CCCC1 94584865 XDARQHLJVWKTJO-UHFFFAOYSA-N 306.858 5.362 30 10 DKEE SCCCCCCCCCO[C@@H]1CCCc2ccccc21 97799721 GPUNNEGEBCCGIT-LJQANCHMSA-N 306.515 5.741 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1c(Cl)cc(Cl)cc1Cl 103999000 QYSQUCVPUYYKHN-TVQRCGJNSA-N 317.647 5.531 30 10 DKEE CCCCCCCCOCc1ccc(Br)cc1F 109975795 PCXIZTUDTIYSSN-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE Cc1ccc(Oc2ccc(C#N)cc2Cl)c(Br)c1 110465378 DJOIHBMOPMIAAK-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ncc(Cl)cc1Cl 128433066 XLBBJCXGBOPNTP-OAHLLOKOSA-N 317.304 5.919 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ccc(CC)s1 162527129 FKHKZUQPMAUYRB-GOSISDBHSA-N 309.563 6.621 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1cc(OC)cs1 162528619 BDEZMWMQARNCGL-QGZVFWFLSA-N 311.535 6.068 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)c(F)c1 164717201 HCVRYPXDZPNIRR-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE CCCCCCCCCCC[C@H](CCC(F)(F)F)NCC 169260443 VXFUAAJIBVFNLO-MRXNPFEDSA-N 309.460 6.228 30 10 DKEE CCCCCCOc1ccc(/C=N/c2ccc(CCC)cc2)cc1 204044213 AGOPNGVNGQOJDN-PTGBLXJZSA-N 323.480 6.349 30 10 DKEE CCCCCCCNc1ccccc1CNC(=O)OC(C)(C)C 227674346 RRJGSQGXMXHBQD-UHFFFAOYSA-N 320.477 5.094 30 10 DKEE C=CCn1c(-c2ccccc2)c(C)sc1=Nc1ccccc1C 254510614 GMXLKKZLIATVLK-UHFFFAOYSA-N 320.461 5.252 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2cccc(Cl)c21 692191432 QTBADMOTLOBVCL-RISCZKNCSA-N 306.862 5.286 30 10 DKEE CCCCCCCNC1CC(c2ccc(Br)cc2)C1 703708540 KVAJVLUQHPRRPL-UHFFFAOYSA-N 324.306 5.255 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 715723620 SUNVUVIYIVEYRW-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@H](O)C[C@@H](C)COCc1ccccc1 719511683 XFIBPWFCKJEMNM-CTNGQTDRSA-N 320.517 5.731 30 10 DKEE CCOc1ccc(C#Cc2cc(C(F)(F)F)ccc2Cl)cc1 1614826719 NSGRQKUEUHRAMC-UHFFFAOYSA-N 324.729 5.157 30 10 DKEE CCCCCCCCC(=O)N(Cc1ccccc1)c1ccccc1 1866357301 XVMSIXMHMMUFRB-UHFFFAOYSA-N 323.480 5.970 30 10 DKEE C=CCOc1ccc(/C=C/C(=O)c2ccc(CCCC)cc2)cc1 1874606606 XCRWFPRKDYOYKO-LFIBNONCSA-N 320.432 5.490 30 10 DKEE CCCCCCCCC[C@H](N)[C@](C)(O)c1csc(Cl)c1 1920268836 HXFIIVNTWVLQDA-GOEBONIOSA-N 317.926 5.077 30 10 DKEE C=C([C@@H](O)c1ccc(-c2cccc(Cl)c2)s1)[Si](C)(C)C 1922990028 QJSZCDPHUUVGAM-MRXNPFEDSA-N 322.933 5.536 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)CC2CCCCC2)c(F)c1 1946760071 KCTHTPJTQZFLPM-UHFFFAOYSA-N 322.427 5.284 30 10 DKEE CCCCCCCCC(=O)c1cc(C)sc1Br 1951093208 JAKGWUPLYMIOOH-UHFFFAOYSA-N 317.292 5.752 30 10 DKEE C=CCCCCC(=O)c1cc(Br)ccc1Cl 1984520952 CWVZCFJEWRQMHC-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CC1 2040409428 LWMAGMXSSQQKJR-PELKAZGASA-N 304.648 5.262 30 10 DKEE CC#CCCC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2073675655 GRGYRXKAOKOBHG-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCCCCCCC[C@@H](NCC)c1snc(Cl)c1Cl 2110890512 BWMBISQERIFMPY-LLVKDONJSA-N 323.333 5.851 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2139114396 CUDVRKOEGFQGPA-LRDDRELGSA-N 300.273 5.116 30 10 DKEE C[C@@H]1C[C@](C#N)(C[C@H]2CCC[C@@H](C(F)(F)F)C2)CCS1 2159721853 WKUDCCSZXVZHOU-RQJABVFESA-N 305.409 5.171 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H]1CC[C@@H](SCC)C1 2171100332 UECXHLVGAPMLND-JKSUJKDBSA-N 317.608 5.109 30 10 DKEE Cc1cc(Cl)cc(C)c1Oc1cc(Cl)c(C#N)cc1F 2177389557 RTHUTZYJSVLGGC-UHFFFAOYSA-N 310.155 5.413 30 10 DKEE CCCCCCCCCN(C)Cc1cc(C(F)F)cs1 2195542217 ZXKDNAYRKYHNMA-UHFFFAOYSA-N 303.462 5.868 30 10 DKEE CCCCCCCCCCCCNC[C@@]1(Cl)CC1(F)F 2205573247 CSYUPZYCJGTCQP-HNNXBMFYSA-N 309.872 5.514 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cc(Cl)cc(Cl)c1 2229673886 MPZWWPYRCBBMEO-LBPRGKRZSA-N 300.273 5.636 30 10 DKEE C=C(C)CCCC[C@H](CCCOCc1ccccc1)NCCC 2244652739 NFVRURIOEBYZKS-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE CCCCCCCC[C@H](C)Nc1cnccc1Br 2264154858 DSVLPYHGRFAJQA-ZDUSSCGKSA-N 313.283 5.395 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2269340772 UPHRHDKLVJYYJX-BDJLRTHQSA-N 300.273 5.555 30 10 DKEE CCCCCCCCCC(=O)c1csc(C(C)(F)F)n1 2289393262 WHWVPJTWCNGDLZ-UHFFFAOYSA-N 303.418 5.578 30 10 DKEE CC1CCC(CSc2cc(Br)cc(C#N)c2)CC1 2313831094 DAOAIHFLZAPEOW-UHFFFAOYSA-N 324.287 5.239 30 10 DKEE Cc1ccc(C(=NOCc2cccc(Cl)c2)C2CC2)c(C)c1 2330317352 RDPFZNSMYUOOLL-UHFFFAOYSA-N 313.828 5.288 30 10 DKEE C=CCC(CC=C)OC(=O)C=Cc1ccc(Cl)c(Cl)c1 2360213891 AYOXCRLBQYBWRJ-UHFFFAOYSA-N 311.208 5.071 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)cc1Cl 2365093313 LYMXRRBHWIVAMD-MLGOLLRUSA-N 310.268 5.084 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1c(F)ccc(F)c1Cl 2370517571 CIBUNAONAZEYRL-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE Oc1ccccc1/C=N/c1cc(Cl)c(Cl)cc1Cl 584470 LHXIUPXIFLOLFN-REZTVBANSA-N 300.572 5.103 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 14549887 IKBBIMDKUDFHDE-SQGPQFPESA-N 321.395 5.217 30 10 DKEE COc1ccc(C)cc1C[C@@H](C#N)c1cccc2ccccc12 57762101 CZZLDELVDISSDP-SFHVURJKSA-N 301.389 5.007 30 10 DKEE CCCCCOc1ccc(/C=C/C(=O)c2cccs2)cc1 62167787 JTIFUVIWKDYNDG-FMIVXFBMSA-N 300.423 5.213 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)c(Cl)c2)CCc2ccccc2C1 87998243 GARSRDRLOZDXJP-SFHVURJKSA-N 316.231 5.235 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@H](O)c2ccc(Cl)s2)CC1 91883362 WFCCUGODMBEYJL-OFWKBQFLSA-N 311.878 5.181 30 10 DKEE SCC1(COc2cccc(Cl)c2Cl)CCCCCC1 94584100 JEBWWZIBQQHLNE-UHFFFAOYSA-N 319.297 5.643 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OC[C@@H](CS)C(C)C 94584408 FGZCVYCEHYULOF-ZDUSSCGKSA-N 300.895 5.353 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(OC)c(OC)c1 109728258 ABUNHFPHNTZXIY-HNNXBMFYSA-N 313.869 5.108 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(F)c(F)c(F)c1 109730363 PVHJZKKZZDRITM-INIZCTEOSA-N 301.396 5.505 30 10 DKEE CSc1cccc(NCC2(CC(C)C)CCCC2)c1C#N 167605003 HGAQCUNORVXKQE-UHFFFAOYSA-N 302.487 5.299 30 10 DKEE CCCCB(CCCC)/N=C(\c1ccccc1)c1ccccc1C 206500168 SDSISELHOFCUFT-ZNTNEXAZSA-N 319.301 6.424 30 10 DKEE CCCCCCCNc1cc(F)c(Br)cc1C 224329638 WRQBRIUPMBBAMI-UHFFFAOYSA-N 302.231 5.279 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3ccccc3C#N)ccc21 254515425 CRWHRAZKQYDHRJ-UHFFFAOYSA-N 323.399 5.437 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)c1ccoc1 257435409 HJODEDKXJPYIBN-JRBPQWBISA-N 302.458 5.502 30 10 DKEE biogenic CC[C@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CCCCC1 307886282 ACEDMUSUWIZGRV-INIZCTEOSA-N 312.240 5.065 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](C(C)C)CC1 698968047 XQYKKDNKDHXJKS-VQIMIIECSA-N 322.493 5.132 30 10 DKEE CCCCCCCCC[C@H](N)c1oc(C)cc1Br 706257142 VXDCUUIRJSCWAH-AWEZNQCLSA-N 316.283 5.491 30 10 DKEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1ccc(Cl)c(Cl)c1 718512263 YERBUTOSWUJERW-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCC1CCC(C#N)(Cc2ccc(Br)c(F)c2)CC1 721912349 SVQBTVXJEWOTMW-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CCCOC(=O)c1ccc(N=Cc2ccc(C(C)C)cc2)cc1 1084219428 PSEJUCHRJKZRFW-UHFFFAOYSA-N 309.409 5.127 30 10 DKEE CCCCCCCCCCNC(=O)c1c(C)cc(C)cc1C 1865940387 KOHQXOOMIIFHEK-UHFFFAOYSA-N 303.490 5.482 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(Cl)c(F)c1 1892439198 MLLJQTJVLVUFFI-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)c1ccccc1Cl 1917865860 HWYMKXOENGTZCA-FQEVSTJZSA-N 315.910 5.886 30 10 DKEE C=C(Br)CCN(Cc1ccccc1)C1CCCCC1 1953582061 VFMYRZLZCORZGC-UHFFFAOYSA-N 322.290 5.120 30 10 DKEE C=C(C)CC(=O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993583083 OETWSJYRLPZDDT-UHFFFAOYSA-N 317.429 5.306 30 10 DKEE CC=C(C)C(=O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993584250 ZQBSLAOEAWUTEN-UHFFFAOYSA-N 317.429 5.306 30 10 DKEE CC#CCCCCn1ccc2cc(OCc3ccccc3)ccc21 2019540004 ZOJRUMRWYWOJGH-UHFFFAOYSA-N 317.432 5.414 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045724146 JTDGXVQYWOVIHQ-LKFCYVNXSA-N 306.664 5.510 30 10 DKEE C#CC[C@H](COc1cc(Cl)c(Cl)cc1Cl)C1CC1 2075963452 CKCYKMSRBUEXRU-SNVBAGLBSA-N 303.616 5.075 30 10 DKEE CCCCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1Cl 2107827313 UKJXCHCLTOMYEF-CYBMUJFWSA-N 322.707 6.268 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1ncc(Cl)s1 2141908180 LTPMGGTZAFKRGK-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE CCCCCCC[C@H](NCCC)c1c(Cl)cncc1Cl 2164225113 CIIKDYYDWSGJFL-HNNXBMFYSA-N 317.304 5.790 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H]1CCCC(F)(F)C1 2168893534 COCWONHUYIZOHU-AWEZNQCLSA-N 307.494 5.013 30 10 DKEE C=C(c1ccccc1)[C@@H](NCCC)c1ccc(SC)s1 2197142650 SOYQPXGWGNRWAY-QGZVFWFLSA-N 303.496 5.224 30 10 DKEE CCCCCC#CC[C@H](N)c1ccc(-c2cccs2)s1 2205871685 YCACVDNSIOCGJN-AWEZNQCLSA-N 303.496 5.450 30 10 DKEE C=CCCCN(C)Cc1c(Br)sc2ccccc12 2217892373 LIMXXUKYKQSTOD-UHFFFAOYSA-N 324.287 5.062 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cc(Cl)sc1Cl 2227283573 DTBYJJXZBPWDKU-GFCCVEGCSA-N 321.317 5.476 30 10 DKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)c1ccsc1Cl 2239461698 GAICKJNMXWXCQH-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE C=C[C@@H](CC)OC[C@@H](NCCC)c1cc(Cl)ccc1Cl 2239489479 IYMCUZMRFOCXSQ-XJKSGUPXSA-N 316.272 5.015 30 10 DKEE CCCCCCCCCCOc1nc(Cl)c(C(C)=O)s1 2239498417 JKYLFLCNPQMOOK-UHFFFAOYSA-N 317.882 5.519 30 10 DKEE CCN[C@@H](C#Cc1ccc(C)cc1)c1cc(Cl)sc1Cl 2239723210 ZTPMRTLKQOGHLK-AWEZNQCLSA-N 324.276 5.066 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cocc1Br 2258136973 QHCVGLHMZUBRJM-OAHLLOKOSA-N 314.267 5.349 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Br)cc1 2259237645 OUJGHCKEJRNOJZ-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=CCCCCCCCCC[S@](=N)(=O)CCC(C)(F)F 2283693488 IGSFGBWLGFXWNI-FQEVSTJZSA-N 309.466 5.385 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCCC(C)(F)F)C1 2283694382 AANHJSAKBOJVLB-MGPQQGTHSA-N 303.462 5.510 30 10 DKEE C=CCCCCCCCSCc1ccc(C(=O)OC)s1 2287074475 GBLYLFBSAYDAOB-UHFFFAOYSA-N 312.500 5.295 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@H](C(F)F)CC[C@@H]1N 2287194665 VAFAJICMRJXNIN-QLFBSQMISA-N 305.478 5.007 30 10 DKEE CC(=NOCc1cccc(Cl)c1)c1ccc(OC(C)C)cc1 2318634075 ZOWVFSKMWZKMGJ-UHFFFAOYSA-N 317.816 5.068 30 10 DKEE Cc1ccc2nc(C(C)(C)C)c(N=Nc3ccccc3C#N)n2c1 2320768860 NXGUHDUWMZWVBV-UHFFFAOYSA-N 317.396 5.227 30 10 DKEE CCCCCCCCCCCC[C@H](CC1(C)OCCO1)NC 2353325960 QFSWDSDPWNMDNB-GOSISDBHSA-N 313.526 5.039 30 10 DKEE C=C(C)C[C@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2367670676 GDMRUQMSWCWPQB-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(Cl)c(Cl)c1OC 2370492082 RYFZNNCLAYYLJI-CVEARBPZSA-N 316.272 5.255 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2377361496 AFGGTECOBDQPIC-MRXNPFEDSA-N 316.247 5.552 30 10 DKEE C=C1CC([C@@H](Cc2cc(F)c(Cl)cc2Cl)NCCC)C1 2377392129 KKQLTAASZYEHMI-MRXNPFEDSA-N 316.247 5.009 30 10 DKEE N#C[C@H](C(=O)c1csc2ccccc12)c1cccc(Cl)c1 42891315 CZIVTSIHIDWJAJ-AWEZNQCLSA-N 311.793 5.045 30 10 DKEE Cc1cc(C(=O)/C=C/c2ccccc2)c(C)cc1OCC(C)C 83193719 CXWQBTWRAAKUOW-ZHACJKMWSA-N 308.421 5.234 30 10 DKEE C/N=C1/CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 100272005 MGBVAZJASCWJGJ-AQNJYJFJSA-N 304.220 5.338 30 10 DKEE CCCCCCCCCCCCC(=O)c1ccccc1Cl 109710586 PCTQEWRIZYGLOB-UHFFFAOYSA-N 308.893 6.834 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1cccc(Cl)c1 109718359 CZCWGCDOBIRSCY-IBGZPJMESA-N 309.925 6.651 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Br)sc1C 115221111 YKDPVFNFJJLERA-ZDUSSCGKSA-N 318.324 5.440 30 10 DKEE CCCCCCCCC[C@@H](CSC1CCCC1)NCCC 115819843 FGXKRNYFCMXFGB-SFHVURJKSA-N 313.595 6.171 30 10 DKEE N#Cc1cc(F)cc(CSc2ccc(Cl)c(Cl)c2)c1 163782462 LAHQXNDNEVRCHY-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(F)c(Cl)c2)c(F)c1F 236238672 WQKDDSFWKBIGCW-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C[C@H](CCS)CCN(Cc1ccccc1)Cc1ccccc1 306447977 VBOJISOTYZDPHN-SFHVURJKSA-N 313.510 5.035 30 10 DKEE CCCCCCCCCC(=O)Cc1coc(Br)c1 385917459 AZJPDVGCDXCKLU-UHFFFAOYSA-N 315.251 5.294 30 10 DKEE N#C[C@H](CNc1ccc(OCc2ccccc2)cc1)C1CCCC1 397205293 SGKMVTUIPJZCMR-LJQANCHMSA-N 320.436 5.007 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1cccc(Cl)c1Cl 1919913672 QEIJXIKFEAOMEU-MRXNPFEDSA-N 303.273 5.647 30 10 DKEE CC[C@](C)(C#N)[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921058620 CAGMWTOAEZHXSS-HZPDHXFCSA-N 305.830 5.042 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C2CCCCC2)C1 1946852034 RPIZNZMWORUOII-UZKOGDIHSA-N 324.512 5.540 30 10 DKEE CC[C@@](C=O)(CN(Cc1ccccc1)[C@@H](C)C(C)(C)C)C(C)C 1988766030 YPOYUFXXRXNZGX-RXVVDRJESA-N 317.517 5.175 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(C)sc1Br 1996471620 VGTGFGRCYAWBSU-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=CCCCC[C@H](NC)c1cccc(Br)c1Cl 2009482778 UXFFQUVQAAOGGE-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(Br)s1 2026019132 IIEPITWOTJHPPG-LBPRGKRZSA-N 316.308 5.298 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](c1ccc(C)cc1)C(C)C 2070165031 KFKFVHLQTPDAOL-QFIPXVFZSA-N 314.432 5.085 30 10 DKEE C=CCCCCCCCCN(CC=C)CC(=C)Br 2086278325 HAZLNTSDMFXZCS-UHFFFAOYSA-N 314.311 5.300 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1cc(Cl)sc1Cl 2117015832 WVBIQKKEXPAVKZ-SMDDNHRTSA-N 318.269 5.198 30 10 DKEE O=C(C=C1CCC1)c1ccc(-c2ccc(Br)cc2)o1 2135923236 CRDPXENTSUOOJP-UHFFFAOYSA-N 317.182 5.002 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ncc(C(F)F)s1 2154772170 DAKOBTVIHHJGPP-GFCCVEGCSA-N 304.450 5.482 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 2164073119 DNMDWOQCQVXXTP-GFCCVEGCSA-N 304.842 5.854 30 10 DKEE C#CC[C@@H](NCCC)c1ccc(-c2ccccc2Cl)s1 2164214797 KRXCQSRUEWSAQU-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CCCCC[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2179702176 ASMSPIWPIINPSB-OAHLLOKOSA-N 306.858 5.848 30 10 DKEE C=CCN(Cc1ccccc1)c1cccc(C)c1CN[C@H](C)CC 2217116472 KABZUBLFCUNLPA-LJQANCHMSA-N 322.496 5.076 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc(C(F)F)cs1 2235527241 SXECRQUNAGBUHM-AWEZNQCLSA-N 301.446 5.863 30 10 DKEE Cc1ccc(N[C@@H](C)c2cc(Cl)cc(Cl)c2)cc1C#N 2238002222 YVAIHBQUPJUCIA-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1sc(Cl)cc1Br 2244975431 CGSZZSUKJRUOEF-LDYMZIIASA-N 322.699 5.027 30 10 DKEE C=C(C)CCCCNc1cc(Br)c(Cl)cc1C 2250189306 JDSKKAQSAHEWBL-UHFFFAOYSA-N 316.670 5.569 30 10 DKEE Fc1cc(F)cc(SCCCCCCCCCS)c1 2266691108 DNILJYBHZPLZRK-UHFFFAOYSA-N 304.471 5.717 30 10 DKEE Cc1cc(Br)c(C)c(OCC=CC#CC(C)(C)C)c1 2268725472 GXGLWNGWOYTBKU-UHFFFAOYSA-N 321.258 5.050 30 10 DKEE C[C@H](CC1=CCCCC1)Nc1c(Br)cccc1C#N 2269682858 CRMFPTMKNVVQRD-GFCCVEGCSA-N 319.246 5.012 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1cc(Cl)sc1C 2278167325 SKVFHPHQORRWEH-MRXNPFEDSA-N 301.927 6.025 30 10 DKEE C#CC[C@@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286474500 RKHKYSXQOFCDRD-PXAZEXFGSA-N 312.284 5.392 30 10 DKEE Cc1ccccc1NN=Cc1ccc(-c2cc(Cl)ccc2C)o1 2297708580 WRGFKBAONYQGCP-UHFFFAOYSA-N 324.811 5.663 30 10 DKEE C=CCC(CC=C)C(=O)c1cccc(Br)c1Cl 2301057847 NBHFVDPYNBCOQY-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Br)cc1CC 2321128927 XQVZWCYMBUGVMH-HOTGVXAUSA-N 310.279 5.004 30 10 DKEE C=CCC(CC=C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2366805002 ATJDMQPPBRMUGO-QGZVFWFLSA-N 312.284 5.282 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 58929207 MYQORDGLFQMFFD-HARLFGEKSA-N 322.411 5.538 30 10 DKEE CCCCCCCCCCCCOC[C@@H]1COC(C)(C)O1 59103540 JJEUFGMEQYMSDW-QGZVFWFLSA-N 300.483 5.075 30 10 DKEE CCCSc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 83192707 KPBDOVYOPXSQSC-LFYBBSHMSA-N 316.853 5.738 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(OCCC)cc1 100048430 FMZCLYIUFJAPAQ-HXUWFJFHSA-N 305.506 5.877 30 10 DKEE CC(C)c1ccc(C(=O)/C=C\Nc2cccc(C(C)C)c2)cc1 103029819 ZUZMTSMUKLPUEU-SEYXRHQNSA-N 307.437 5.742 30 10 DKEE Cc1ccc(Cl)c(Nc2cccc(Cl)c2C#N)c1Cl 104013289 ZZGUKRDYGWFZAJ-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=CCCc1cc(C(C)(C)C)c(OCCC)c(C(C)(C)C)c1 107631169 HBCRWRYHHDJJGL-UHFFFAOYSA-N 302.502 6.189 30 10 DKEE CCCCCCCCC[C@H](N)c1cccc(C(F)(F)F)c1 109717774 LTENMEXUQASVHR-INIZCTEOSA-N 301.396 5.846 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1cc(C(F)(F)F)ccc1Cl 110153814 FPNWJZHDIZAIOP-MFKMUULPSA-N 316.754 5.243 30 10 DKEE CCCCCCCC[C@@H](CNCC)Cc1cccc(Cl)c1 110189909 COQWLKZETIWGLU-GOSISDBHSA-N 309.925 5.859 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccccc1Cl)NCC 112895454 UIGXOEZYYLZTCT-SFHVURJKSA-N 309.925 6.001 30 10 DKEE CCCCCCCC(=O)Cc1ccc(F)cc1Br 164924943 PJDHASGOEGZDRO-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE CCCCCCC[C@H](Cc1cc(Cl)ccc1Cl)NCC 167064150 AXFIAQFSCYBPFY-MRXNPFEDSA-N 316.316 5.875 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 167755381 YBZXMUNQEFCRQK-HNNXBMFYSA-N 303.343 5.242 30 10 DKEE Cc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)s1 212547558 DAFUMBXNOBGYHG-YPKPFQOOSA-N 304.414 5.620 30 10 DKEE CCCCCC(C)(C)CNc1cc(Br)cc(C#N)c1 227624250 BOZPUSIWJDXFQE-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE Cc1ccc(Br)cc1Oc1cccc(Cl)c1C#N 228333701 XSUXQEZPFQSFNZ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1cccc(Cl)c1Cl 228914645 YBJRRHFQCIFKBU-INIZCTEOSA-N 300.273 5.116 30 10 DKEE C(/C=C\c1ccccc1)=NN=C1c2ccccc2-c2ccccc21 254303973 QTIALTXBSFBWBB-ILEXUSGASA-N 308.384 5.204 30 10 DKEE N#Cc1cc(-c2cc(Cl)cc(Cl)c2Cl)cnc1Cl 514260874 QITQQWLVDMWOQA-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CSc1ccccc1N=C/C=C1\N(C)c2ccccc2C1(C)C 606348054 KIAYAIXWJXVMCA-CHHACQMGSA-N 322.477 5.422 30 10 DKEE CC(C)[C@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C(C)C 698401176 SLZXXOLZDQECLU-VQIMIIECSA-N 322.493 5.131 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)C1CCCC1 698864885 CTPICRQPCSXLMW-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE FC(F)c1cc(C(F)(F)F)c2sc(C(F)(F)F)cc2c1 725324277 COCBXCLDCACHDL-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE N#Cc1ccc(Cl)cc1-c1cc(Cl)cc(Cl)c1Cl 1848374656 FLIPGLQECMZCIM-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 1893165539 JPXBKUZUHQRVFX-INIZCTEOSA-N 302.289 5.484 30 10 DKEE C=C(COCc1ccccc1)[C@H](N)C1CCC(CCCC)CC1 1922072694 WYSYAFQWBRBUMY-MNLRITNHSA-N 315.501 5.083 30 10 DKEE CCCCCCCCCCCC(=O)COCc1ccccc1 1934553483 VRFKHRUYGJTSDJ-UHFFFAOYSA-N 304.474 5.693 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCC[C@@H]1C(F)(F)F 1962675638 UURAJHZOBNMGKA-IRXDYDNUSA-N 311.391 5.043 30 10 DKEE C=CCCCCCCC(=O)c1cc(Br)cs1 1995172230 WQAZBSFJGXUZEQ-UHFFFAOYSA-N 301.249 5.220 30 10 DKEE C=CCC[C@H](NCCC)c1c(Cl)cccc1Br 1998387586 SRLUSBMVLRVHMF-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE C=CCCCCCCSc1ccc(Br)cc1N 2026019391 LTOQEOJXQMXZPB-UHFFFAOYSA-N 314.292 5.260 30 10 DKEE C=CCCC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045726241 YSQPBBMFGHVOGN-LBPRGKRZSA-N 306.664 5.654 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(C)c(Br)c1C 2045803941 DRGGQLVSHTYRSL-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1ccc(F)cc1C 2070131008 KOVTWCQVUSCVDU-OAQYLSRUSA-N 324.443 5.359 30 10 DKEE C=CCC[C@@H](C)Oc1ccc2ccc(Br)cc2c1 2086333210 CXMSYCXTUNBFFG-GFCCVEGCSA-N 305.215 5.336 30 10 DKEE Cc1cc(Br)c(C)c(OCC#CC2CCCCC2)c1 2093462101 IMPNWTDXHMKVEA-UHFFFAOYSA-N 321.258 5.028 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@H](O)c1cc(Cl)cc(Cl)c1 2108213833 PKPQCBJLACGHBD-LSDHHAIUSA-N 300.229 5.137 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2cc(Cl)c(Cl)s2)C1 2112242337 GNGKLJUUDCKFSN-FZMZJTMJSA-N 318.269 5.198 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H](O)c1csc(Cl)c1 2154436249 XMQBXZLCCPKLQJ-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE C=CCCC[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164165370 JZWOODRGDIHJCD-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CC1(C[C@H](CSc2ccccc2Cl)NCC)CCC1 2168022382 FRBMNYOEKYWBHY-CQSZACIVSA-N 309.906 5.157 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1ncc(SC)s1 2207434709 GNUGIBQVMRFPMH-CQSZACIVSA-N 312.548 5.432 30 10 DKEE C=C[C@H](CCCCC)OCc1ccc(Br)s1 2212481961 GZNAXAGKJJZAJN-LLVKDONJSA-N 303.265 5.162 30 10 DKEE CCCC#C[C@@H](NCCC)c1ccccc1OCc1ccccc1 2213340426 ULZOEBHDDULJLW-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE CCC(CC)(CS)CSc1ccc(OC(F)(F)F)cc1 2235919519 MACHFNMFALBWNS-UHFFFAOYSA-N 324.433 5.414 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(F)c(C)c1Cl 2240627757 JAVVFDZQSALIMY-QGZVFWFLSA-N 300.845 5.746 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1scc(Br)c1Cl 2242661946 QKDBOKQCWGCPTN-KCJUWKMLSA-N 322.699 5.027 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1scc(Br)c1Cl 2242665729 HGFZOSCMZDVUTI-GZMMTYOYSA-N 322.699 5.027 30 10 DKEE C=CCCCCCCCSc1nc(Cl)cc(Cl)n1 2258978227 JKZGHZLRANIDAF-UHFFFAOYSA-N 305.274 5.402 30 10 DKEE C=CCCCSC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2271489320 IDMUNXVFNSJBKF-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE Cc1cc(Cl)c(Cl)cc1NC[C@@H](C#N)c1ccccc1 2281509506 YWQUJEQOMNQHPA-CYBMUJFWSA-N 305.208 5.021 30 10 DKEE CC(C)CCC[C@H](C)CCOCC1(CS)CCCCC1 2284876552 WSQGFLNURROFRN-KRWDZBQOSA-N 300.552 5.736 30 10 DKEE CCc1ccc(C(=O)C=CNc2cccc(C(F)(F)F)c2)cc1 2293115920 OEYHFUURCDPZAU-UHFFFAOYSA-N 319.326 5.076 30 10 DKEE CCCCCCCCCOc1c(Cl)cc(C=O)cc1Cl 2296305312 RUCYZDHRTGBMCF-UHFFFAOYSA-N 317.256 5.935 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2344343994 QWWNYEVHACKNOH-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE C=CCC[C@H](CCCCC(F)(F)C(F)(F)F)NCCC 2368156075 DNHYIYHCZBRKHR-GFCCVEGCSA-N 301.343 5.079 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(F)c(Cl)c1 36926937 FCKVVIIXEUFZCP-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#Cc1ccccc1NCc1c(Cl)ccc(Cl)c1Cl 37203040 TVAJNAZATGJCRF-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE SCC1(CSc2nc3ccccc3s2)CCCCCC1 94588979 GNFRTCCFGXVBDH-UHFFFAOYSA-N 323.552 5.659 30 10 DKEE CCCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NCC 109733422 RKKWKIPHODVUKL-AWEZNQCLSA-N 316.316 5.875 30 10 DKEE CCCCCCCCO[C@H](c1ccc(Cl)cc1)[C@H](N)CC 109988893 GKCOFRXIASJPTG-QZTJIDSGSA-N 311.897 5.496 30 10 DKEE CCCCCCC[C@@H](CNC)c1cccc(Br)c1 118659682 VCEKBOINTNUIMZ-HNNXBMFYSA-N 312.295 5.113 30 10 DKEE C=CCC[C@H](C)Nc1cc(Br)cc(C(F)(F)F)c1 228826184 XTQHJHZQJRGXIY-VIFPVBQESA-N 322.168 5.235 30 10 DKEE CC(=NO)c1ccc(C)cc1OCc1ccc(Cl)cc1Cl 252453223 DMKOSXCQTRAQFW-UHFFFAOYSA-N 324.207 5.079 30 10 DKEE CCC(=NNc1nc(-c2ccc(C)cc2)cs1)c1ccccc1 254497138 JNBOLTRSRKEREJ-UHFFFAOYSA-N 321.449 5.345 30 10 DKEE C=C(CC)C[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 407901161 KHMUJBNWIJMQRZ-CQSZACIVSA-N 324.852 5.043 30 10 DKEE CCCCCCCC[C@@H](C[C@@H](C)COCc1ccccc1)NC 719137005 SVWWGPOKXIBFGM-CTNGQTDRSA-N 319.533 5.568 30 10 DKEE CC/C(=N\OCc1cccc2ccccc12)c1ccc(OC)cc1 821219918 DNPYFSNOAGNPAH-QURGRASLSA-N 319.404 5.179 30 10 DKEE CCCCCCCSc1nc(-c2ccc(C)cc2)cs1 1860795907 RDKMPYDNYXJMBM-UHFFFAOYSA-N 305.512 6.181 30 10 DKEE CCCCCCCC[S@@](=N)(=O)c1cc(Cl)cc(Cl)c1 1917876721 SVXGLBNALFPIKK-LJQANCHMSA-N 322.301 5.760 30 10 DKEE C=C([C@@H](NCC)c1cc2c(s1)CCCCC2)[Si](C)(C)C 1922873935 LGTHPCOYACASGE-QGZVFWFLSA-N 307.579 5.101 30 10 DKEE C=CCCCCC[C@@H](O)c1c(Br)sc(C)c1C 1951008594 ULMCPLQGTTWPOG-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE CCc1ccc(C#N)c(N(Cc2ccccc2)[C@H](C)C(C)C)c1 1988048659 LIWPOSYLNMJCJZ-QGZVFWFLSA-N 306.453 5.172 30 10 DKEE CCCCCCCCC[C@@H](N)c1scnc1Br 2000253401 AVCKFPMTPXNOSE-LLVKDONJSA-N 319.312 5.046 30 10 DKEE C=CCCCCCCC(=O)c1cccc(OCc2ccccc2)c1 2026022712 XRIWJDIUZJJONI-UHFFFAOYSA-N 322.448 5.975 30 10 DKEE N[C@@H](CC#CC1CCCCC1)c1cc(Cl)sc1Cl 2032528230 ZGTXMPRBKAXWBN-LBPRGKRZSA-N 302.270 5.029 30 10 DKEE C#Cc1cc(C(C)C)nn1[C@H](CC)c1cccc(C(F)(F)F)c1 2070082687 QUKAIZNODVZYBW-QGZVFWFLSA-N 320.358 5.006 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](c1ccc(F)cc1)C1CC1 2070131933 RGWOYZXQHLGEDD-OAQYLSRUSA-N 322.427 5.051 30 10 DKEE C=CCCCCCC[C@H](O)c1c(F)cccc1Br 2085917557 QNJVGCPBMFGYCS-AWEZNQCLSA-N 315.226 5.148 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cccc(Br)c1C 2102112011 PUGYSUYLXIOXCW-GUYCJALGSA-N 324.306 5.401 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H](O)c1csc(Cl)c1 2154421125 FHHRIFIBLWICBV-GOEBONIOSA-N 317.926 5.293 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1cc(Cl)sc1C 2154428260 JXYALZIFHJZAQG-MRXNPFEDSA-N 316.894 5.453 30 10 DKEE C=C([C@@H](NCCC)c1ccsc1C(F)(F)F)[Si](C)(C)C 2157627065 NQNCAWPUBAXUMB-GFCCVEGCSA-N 321.484 5.241 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1scnc1Cl 2164246479 HFLGLIMLURYSSM-CQSZACIVSA-N 316.942 5.978 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(SC(F)(F)F)cc1 2164259856 IIBQMZSGUAWGOT-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(F)c(F)cc1Cl 2235527565 WOIGBZVRXJDCBF-INIZCTEOSA-N 301.808 5.535 30 10 DKEE C=CCCCCCCCCCC[C@H](NCC)P(C)(C)=O 2237226996 OEZNXJGYGAVQKR-QGZVFWFLSA-N 301.455 5.632 30 10 DKEE CCCCCCCC[C@](C)(O)[C@H](NC)c1ccc(Cl)s1 2240657540 MMFUKZOCDYBNQD-CVEARBPZSA-N 317.926 5.164 30 10 DKEE CC#CCCCC[C@@H](O)c1cc(Br)cc(C(C)C)c1 2265983388 QPKVGLVARFXWMG-QGZVFWFLSA-N 323.274 5.190 30 10 DKEE CC[C@@H](Nc1c(Br)cccc1C#N)C1CCCCC1 2269737179 FWRCKEUAGWKJFB-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE N#C[C@H](CSC[C@@H]1CCCCC1(F)F)C1CCCCC1 2283106902 JWXHDOXLVSPBHD-CABCVRRESA-N 301.446 5.265 30 10 DKEE CCCCCCCC[C@@H](OCCCN)c1ccc(Cl)s1 2293256369 DCIMABBJPQALQP-CQSZACIVSA-N 317.926 5.559 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc(Cl)ccc1Cl 2294367735 JAHDWXQYOKPJEG-INIZCTEOSA-N 318.288 5.370 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(Br)cs1 2304027689 KNCKEKKKZGPKBH-KGLIPLIRSA-N 316.308 5.154 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Cl)c(Cl)c(Cl)c1 2344339827 MKSKKGNCUHXZPH-CABCVRRESA-N 320.691 5.900 30 10 DKEE C[C@@]1(CSCCCCCCCCCS)CCCOC1 2344974932 RODXFYMEFFARQJ-MRXNPFEDSA-N 304.565 5.197 30 10 DKEE C=CC[C@H](C)Sc1c([C@H](C)NCCC)ccc(Cl)c1F 2360376057 DGQJPPMTIIKAKH-RYUDHWBXSA-N 315.885 5.596 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2cc(C)c(Cl)cc21 2362301813 CLLDQDUXSHAJPJ-RISCZKNCSA-N 306.862 5.204 30 10 DKEE CCCC[C@H](CC)C(=O)[C@H](C#N)c1c(Cl)cccc1Cl 37344003 QGAIECKDLWFYAL-NWDGAFQWSA-N 312.240 5.386 30 10 DKEE Clc1ccc(/N=C2/N[C@H](c3ccccc3)CS2)cc1Cl 63001289 FZGFUKKJHMMZFK-AWEZNQCLSA-N 323.248 5.059 30 10 DKEE CCCCCCCCCCNc1ccccc1C(F)(F)F 110154630 PRPGEBOHVLXMHR-UHFFFAOYSA-N 301.396 6.258 30 10 DKEE CCCCCCCCCOc1cc(CCC)sc1C(=O)O 112318770 JMRLCNOUMHVQSA-UHFFFAOYSA-N 312.475 5.528 30 10 DKEE CCCCCCCCC[C@@H](NN)c1scc(C)c1Cl 232939340 SGQATDJCYFKMAW-CYBMUJFWSA-N 302.915 5.355 30 10 DKEE O=C1/C(=C\C=C/c2ccco2)CCC/C1=C\C=C\c1ccco1 254740382 SHPLADCLSRWYLI-WKHCFWEBSA-N 306.361 5.205 30 10 DKEE O=[N+]([O-])c1ccc(C=Nc2ccc(Oc3ccccc3)cc2)cc1 257351400 DXBKBOXWXFVJCH-UHFFFAOYSA-N 318.332 5.138 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 310376904 ZVWATQPPEKSFBQ-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE C=C(C)CC(=O)C[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 405973293 HBEXPKFYUBTWLN-CQSZACIVSA-N 317.429 5.063 30 10 DKEE N#Cc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1 514261091 RYHIJADDECKTDY-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1cc2cscc2s1 694330185 HTZBRXMNJFYSJR-CQSZACIVSA-N 305.512 5.443 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(Cl)c(C)cc3Cl)C[C@@H](C1)C2 697330089 BKMQENDWJYOZNY-PBWFPOADSA-N 310.268 5.849 30 10 DKEE CCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698481969 BVGAVHZBOJTQAA-CVEARBPZSA-N 310.482 5.275 30 10 DKEE CCCCCCCCCCNC1CC(OCc2ccccc2)C1 716240129 DJZBFABWVUKWQD-UHFFFAOYSA-N 317.517 5.465 30 10 DKEE N#Cc1ncc(-c2c(Cl)cc(Cl)cc2Cl)cc1Cl 1848370392 JMOVZOCMZJKVAK-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE C=C1CCC(C[S@@](=N)(=O)c2c(Cl)cccc2Cl)CC1 1879722106 ZWYDMLCDNPZUTN-LJQANCHMSA-N 318.269 5.145 30 10 DKEE C=CC[C@](C)(CC)[C@H](C[C@@H](C)COCc1ccccc1)NCC 1903157032 RTNLVWQZKJPWOE-GIVPXCGWSA-N 317.517 5.200 30 10 DKEE CCCCCCCCCC[C@@H](O)c1sc(OC)nc1Cl 1919879179 OVYQZRVDIGUAAK-GFCCVEGCSA-N 319.898 5.369 30 10 DKEE C=C(C)CC[C@H](NCC)c1c(C)sc(C)c1Br 1948480024 GNSNEJBOWOXOPN-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCCCC[C@@]1(O)CCC(C)(C)C[C@@H]1OCc1ccccc1 1984552501 BGXYYRZGBVKHFI-PZJWPPBQSA-N 316.485 5.259 30 10 DKEE C=C([C@@H](NCC)c1sc(C)cc1Br)C(C)(C)C 2000370365 BWOSASJZHOAZTH-GFCCVEGCSA-N 316.308 5.072 30 10 DKEE CCCCCCCN(C)Cc1cccc(Br)c1C 2075949207 REFVTKDATUZBSD-UHFFFAOYSA-N 312.295 5.160 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1cscc1Cl 2142403995 HRLMDQRQOFCJNA-MRXNPFEDSA-N 300.895 6.132 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1ccc(Cl)cc1Cl 2146997995 SMHACPDUSTUEKR-MRXNPFEDSA-N 317.256 5.347 30 10 DKEE C=CC1(CNc2ccc(OC(F)(F)F)c(Cl)c2)CCC1 2168029655 XZDYLQROBGQYQG-UHFFFAOYSA-N 305.727 5.007 30 10 DKEE C#CCCCC[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2173489913 GUPYVUFECYXQFU-AWEZNQCLSA-N 312.284 5.098 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 2182514042 WDEOJLSFRATOSF-ZDUSSCGKSA-N 309.734 5.273 30 10 DKEE SCCCCCCCCCSCCCOCC1CCC1 2184672839 WTXWDFKXOHWSCL-UHFFFAOYSA-N 318.592 5.587 30 10 DKEE C=CC1(CN[C@@H]2C[C@@H](C)Sc3sccc32)CCCCC1 2189509219 LFAOXHUJXAUPAK-UKRRQHHQSA-N 307.528 5.400 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2203425848 LIYRMHABVIQJGZ-SMDDNHRTSA-N 316.272 5.255 30 10 DKEE C=CCCCCCCCCC[C@](C)(N)c1csc(Cl)c1 2207433786 AZTHQAIFJZLISX-KRWDZBQOSA-N 313.938 6.272 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)[C@H]1CSCCS1 2235518569 HWLNDAJAXMCPSW-IAGOWNOFSA-N 315.592 5.120 30 10 DKEE CC(C)c1cc(Br)cc(C2=CC(=O)CC(C)(C)C2)c1 2266052296 QPNFBCOJMGPXDQ-UHFFFAOYSA-N 321.258 5.345 30 10 DKEE C=CCCCSC[C@@H](NCC)c1c(Cl)cccc1Cl 2271490193 KOJWPAKRPAFUCS-CQSZACIVSA-N 318.313 5.343 30 10 DKEE CCC1(CC)CSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277454378 LOWCBCSORVPMEC-UHFFFAOYSA-N 317.285 5.185 30 10 DKEE CCCC(CS)(CCC)CSCC1(OC)CCCCC1 2280290917 DKVDKJXABOAIAU-UHFFFAOYSA-N 318.592 5.585 30 10 DKEE CC(C)C[C@H](CS)CSc1ccc(Cl)c(Cl)c1 2308068492 NELPCVPIFBBYSN-SNVBAGLBSA-N 309.327 5.678 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1nc(Cl)c(Cl)cc1Cl 2315444087 REQRDPDFXNVIHC-GZMMTYOYSA-N 305.636 5.199 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NN)c1cc(Cl)cc(Cl)c1Cl 2344383205 ZQIBNMJGEGCSHR-KBPBESRZSA-N 321.679 5.144 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(Cl)c(Cl)c2C)C1 2364002535 SUJOXSRXKUIMMQ-CXAGYDPISA-N 310.268 5.955 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)CCCCC(F)(F)C(F)(F)F 2370604201 TVZJQYFMMQOCQG-NEPJUHHUSA-N 302.327 5.098 30 10 DKEE COc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 8116720 CEDWOHVIHDQFAA-PXLXIMEGSA-N 317.388 5.025 30 10 DKEE N#Cc1cnc2c(Oc3ccccc3)ccc(Cl)c2c1Cl 20016538 KNSARGMARMCBFH-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CSc1ccccc1/N=C/c1ccc(N2CCCCC2)cc1 59104460 TWVUQUYYRHUPAZ-HMMYKYKNSA-N 310.466 5.149 30 10 DKEE COc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1C(C)(C)C 83192974 OSMOQCJNKNDDEQ-YRNVUSSQSA-N 312.384 5.028 30 10 DKEE N#CC1(c2ccc(Br)cc2)CC2(CCCCCC2)C1 86543287 QSCKKMDAXWLASE-UHFFFAOYSA-N 318.258 5.345 30 10 DKEE CCCCCCCCCCCC(=O)OCc1cccc(C)c1 138558469 LKXUKTSXIAQNRR-UHFFFAOYSA-N 304.474 5.959 30 10 DKEE CCCCCCCCNCc1cc(-c2cccs2)cs1 159161740 BCLVFMBWJGVZTL-UHFFFAOYSA-N 307.528 5.927 30 10 DKEE C=CC/C(C#C[Si](C)(C)C)=C(/C#CCCCC)[Si](C)(C)C 198525268 PHSXMUVEQXQOAI-VHEBQXMUSA-N 316.637 5.811 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1/C=C\C(=O)O 208284827 VJBILWCLXQGKPX-FLIBITNWSA-N 310.821 5.177 30 10 DKEE CCCCCCCCCC[C@@H](N)Cc1cccc(Cl)c1F 212412757 ZLSJXMYOAQDMDG-MRXNPFEDSA-N 313.888 5.880 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2Br)C1 222272385 IIUREIYRVMPGLC-JMSVASOKSA-N 324.287 5.260 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccc(Cl)o1 232915200 WNHFQVKGTSQOAR-HNNXBMFYSA-N 300.870 6.277 30 10 DKEE CCCCCCCC[C@@H](O)c1cccc(C)c1Br 232935655 KKKOZRDTUZEYKW-OAHLLOKOSA-N 313.279 5.542 30 10 DKEE C=CCCCCCNc1ccc(Br)cc1Cl 236042076 WZVZDMKCXDJPAR-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE CCCCCCC[C@@H](O)c1cccc(OCc2ccccc2)c1 303759473 BHSKQXIIRIDAKS-OAQYLSRUSA-N 312.453 5.660 30 10 DKEE CC(C)C1CCC(C=O)(Cc2cc(Cl)ccc2Cl)CC1 316886728 RQYAMSYZRLOIME-UHFFFAOYSA-N 313.268 5.567 30 10 DKEE C#CCCC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 383314144 RGXSGGLKTNNPCJ-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1cccc(Cl)c1Cl 395643645 MERUKTLOROXKJR-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE N#CCCCCCNc1ccc2ccccc2c1Br 396954110 ALADNKYGLKOBOU-UHFFFAOYSA-N 317.230 5.098 30 10 DKEE CCCCCCCCN1CCc2ccc(Br)cc21 713028035 ASBSHXXYAXVNEC-UHFFFAOYSA-N 310.279 5.172 30 10 DKEE CCCCCCCCCCNC(=O)c1cccc(C(C)C)c1O 1866173965 IXTYGLFQDXNDFS-UHFFFAOYSA-N 319.489 5.386 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C[C@H](O)CC 1915093270 SMXRAPFUUDQOGD-HXUWFJFHSA-N 305.506 5.010 30 10 DKEE Cc1ccc(C=NN(Cc2ccccc2)Cc2ccccc2)cc1 1923390106 AOXCBLJFXNCDDA-UHFFFAOYSA-N 314.432 5.031 30 10 DKEE CCCCCCCCCCN1CC[C@@H](OCc2ccccc2)C1 1990796646 GXFNRBHHRWTMMX-OAQYLSRUSA-N 317.517 5.418 30 10 DKEE C=C1CCC(C[C@@]2(O)CCCC[C@H]2OCc2ccccc2)CC1 1991157003 DCDCUPLLCMQXCI-RTWAWAEBSA-N 314.469 5.013 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)s1 2040524009 ZKVGYHUZHTXZKO-GWCFXTLKSA-N 306.302 5.698 30 10 DKEE CCCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2045655302 PIRSJHDPGBLDKZ-LBPRGKRZSA-N 308.680 6.007 30 10 DKEE CC1(C)CCC(C#N)(Cc2snc(Cl)c2Cl)CC1 2048352196 QMLBEKGYKNEACI-UHFFFAOYSA-N 303.258 5.103 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(SC)s1 2093173319 BDFSJVFYRGMGSE-AWEZNQCLSA-N 300.533 6.034 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(C(F)F)cs1 2164487072 JCRNOEHTDREJNT-CQSZACIVSA-N 304.446 6.250 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(Cl)c(F)c1F 2176954508 RMKHLIMWUTXVOO-GFCCVEGCSA-N 303.824 5.629 30 10 DKEE CCCCCCCCCCNc1ccc(Cl)c(Cl)c1F 2197902787 NVIHOJIUVWHTFM-UHFFFAOYSA-N 320.279 6.685 30 10 DKEE CCCN[C@H](C#Cc1cccc(Cl)c1)c1ccsc1Cl 2239457410 FEAQFYVTVQLCLZ-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE CCCCCCCCOc1c([C@H](C)O)ccc(Cl)c1F 2239468541 RFQWAGPDUDJWRI-LBPRGKRZSA-N 302.817 5.272 30 10 DKEE CC1(CSC[C@@H](C#N)C2CCCC2)CC(C(F)(F)F)C1 2287331989 KIYIACOVRZPIQT-IYXRBSQSSA-N 305.409 5.028 30 10 DKEE CC1(C)CC(CS)(COc2ccc(Cl)c(Cl)c2)C1 2321741601 QFIJSSKNSLBQMF-UHFFFAOYSA-N 305.270 5.108 30 10 DKEE CCOc1ccc2ccccc2c1C=CC(=O)c1ccccc1 2322545613 SBTQBCAZTGJFQM-UHFFFAOYSA-N 302.373 5.135 30 10 DKEE COc1ccc(Cl)cc1C=CC(=O)c1cccc2ccccc12 2322724789 KQHANGHSPWBUSI-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE C=CC[C@H](C)Sc1c([C@H](C)NCC)ccc(Cl)c1F 2335246690 YFNWYASWZLKGBS-QWRGUYRKSA-N 301.858 5.206 30 10 DKEE C=CC[C@@H](C)[C@H](CCCc1cc(Cl)cc(Cl)c1)NC 2344343021 BQDPHQVWNBVDOG-WBMJQRKESA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cc(C(F)F)cs1 2370522418 QEHGBBYEKVVSPC-GDBMZVCRSA-N 301.446 5.719 30 10 DKEE C[C@H](Nc1cccc(OCC#N)c1)c1ccc(Cl)cc1Cl 37069685 SKWZKVDDAKEAMX-NSHDSACASA-N 321.207 5.069 30 10 DKEE N#C[C@@H](CCOc1ccc(F)cc1)c1cccc2ccccc12 57686239 CZGNPKBIEFAGCD-MRXNPFEDSA-N 305.352 5.055 30 10 DKEE CCCCCCCC(=O)c1cc2c(cc1Cl)OCCCO2 59211602 CNVWQOTVCIUCSG-UHFFFAOYSA-N 310.821 5.045 30 10 DKEE CC(C)(C#N)CCCNc1cc(Cl)c(Cl)cc1Cl 87596997 AZVQFAMPDQXOMC-UHFFFAOYSA-N 305.636 5.389 30 10 DKEE Clc1cccc(Cl)c1/N=C1/N[C@@H](c2ccccc2)CS1 88172152 HAFRWPADMSSKCX-CYBMUJFWSA-N 323.248 5.059 30 10 DKEE CCCCCCCCCCCC[C@H](N)CSCC(C)C 115645342 YIHOLYJCOKIUBX-SFHVURJKSA-N 301.584 6.014 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 115856714 NFXUSOQIDXDBHI-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H](C)Oc1cccc(Cl)c1 139470980 BMUKIYCRWGODDS-QAPCUYQASA-N 311.897 5.575 30 10 DKEE Cc1c(Cl)cccc1Nc1ccc(C#N)c(Br)c1 228173805 LNEPFXDXCCUUNV-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232988384 JYBLIGNOAOZURV-FZKCQIBNSA-N 303.581 5.080 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Sc1cc(Cl)cc(Cl)c1 306097352 NFNQGCUMEUCWPM-HZMBPMFUSA-N 300.254 5.558 30 10 DKEE CCCCCCCCc1nc2cc(Br)c(C)cc2[nH]1 308436782 QOSMLRYVHWEXMC-UHFFFAOYSA-N 323.278 5.537 30 10 DKEE C=CC[C@@H](NCCC)c1cc(Cl)c(C)cc1Br 310390172 RKYWNVVEQZTPOP-CQSZACIVSA-N 316.670 5.028 30 10 DKEE CCSc1cccc(Oc2ccc(Cl)cc2F)c1C#N 312920639 WKMKCYQNWDEPJF-UHFFFAOYSA-N 307.777 5.255 30 10 DKEE CCCCCCCCCn1cc(C=O)c2cc(C(C)C)ccc21 606610866 ZCTFSCHUBGFBFL-UHFFFAOYSA-N 313.485 6.328 30 10 DKEE CCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C(C)C 698398900 MWRBEHOBHLTYMA-SFHVURJKSA-N 310.482 5.275 30 10 DKEE CCC[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698419584 OAZRZLNHZJPBFZ-WMLDXEAASA-N 316.445 5.065 30 10 DKEE CCCCCCCNc1nccc2c(Br)cccc12 703718654 WONKPNKRQHDSLX-UHFFFAOYSA-N 321.262 5.380 30 10 DKEE CCCCCCCOC[C@H](NC)c1cccc(Cl)c1Cl 708935361 IUQAQBHQRIQGLF-HNNXBMFYSA-N 318.288 5.241 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)c(Br)s1 715720674 PFPKHBSCTUUMCF-GXFFZTMASA-N 316.308 5.072 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 715725621 ZSMUNLLKLGIWJQ-LAUBAEHRSA-N 309.453 5.128 30 10 DKEE Clc1ccc(CO/N=C(/c2ccc(Cl)cc2)C2CC2)cc1 821229285 HPTJAOSYMXQMKN-LVZFUZTISA-N 320.219 5.324 30 10 DKEE CCCCCCCCCCN=c1[nH]ccc(C(C)C)c1C#N 1859792692 LZVWYGJAYWCMTQ-UHFFFAOYSA-N 301.478 5.051 30 10 DKEE CCCCCCC[C@H](O)c1cccc(SC(F)(F)F)c1 1912932239 SKABZPWLBCORKP-AWEZNQCLSA-N 306.393 5.692 30 10 DKEE CCCCCCC[C@@H](C)Nc1csnc1Br 1925113867 NFAVAOILRWSRQK-SNVBAGLBSA-N 305.285 5.067 30 10 DKEE C=CCCCCCCCCCC[C@@H](N)COCc1ccccc1 1995326978 DAUXNXNIMYBJSO-OAQYLSRUSA-N 317.517 5.618 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(OCc2ccccc2)cc1 2026022877 ZJQCXZUOXQNLMA-QFIPXVFZSA-N 323.480 5.792 30 10 DKEE CC1(C)CC[C@@H]([C@H](C#N)Sc2ccc(Br)cc2)C1 2037682756 ODJHECLUEPYHRB-RISCZKNCSA-N 324.287 5.260 30 10 DKEE Cc1ccc([C@H](C)n2nc(C3CCCCC3)cc2C#N)c(C)c1 2070092403 XPPMUWMFRAXBKX-INIZCTEOSA-N 307.441 5.029 30 10 DKEE CCCCCCCCCCCCSC(=S)SCCN 2086847958 DPYHUGYZSFOROL-UHFFFAOYSA-N 321.621 5.617 30 10 DKEE FC(F)(F)c1cccc(SC[C@H](CS)CC2CC2)c1 2112864763 VDUINAXEBORBKZ-NSHDSACASA-N 306.418 5.144 30 10 DKEE C#C[C@H](Nc1nc(Cl)c(Cl)cc1Cl)C1CCCCC1 2139029766 PDBYIRPEUKQIQR-LBPRGKRZSA-N 317.647 5.036 30 10 DKEE CCCCCCCC[C@H](NCC)c1sc(Cl)nc1Cl 2142452473 HYQLQFGZKTWKGT-NSHDSACASA-N 323.333 5.851 30 10 DKEE CCCCCCCCCC[C@@H](O)c1nn(C)c(Cl)c1Cl 2150720281 LAVKFJOUIHWENO-GFCCVEGCSA-N 321.292 5.291 30 10 DKEE C=C1CCC(CC(=O)COc2ccc(Cl)cc2Cl)CC1 2152433358 PWUYUFXEJRCHLA-UHFFFAOYSA-N 313.224 5.078 30 10 DKEE C=CCC[C@H](C)[C@@H](CSc1cccc(Cl)c1)NCCC 2158319745 GEWTWHBBXNBACF-WMLDXEAASA-N 311.922 5.403 30 10 DKEE C=C(C)CCCC[C@H](O)c1c(C)sc(C)c1Br 2250152134 MMGYVVDSKHWKIW-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE CC=C(CC)C(=O)c1cc(Br)cc(C(C)(C)C)c1 2260204846 VSOGDMAMOYSQMP-UHFFFAOYSA-N 309.247 5.286 30 10 DKEE CCCCCCC[C@](C)(OCC(=O)O)c1cc(Cl)cs1 2291755079 PQPAQDUWIVYOPY-HNNXBMFYSA-N 318.866 5.078 30 10 DKEE C=C(C)CCCCNc1ccc(C)c(Br)c1F 2307572600 WVRKTQDNEIRXLJ-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1ccc2ccccc2c1 2322312537 YDEYCTJFHBEPBV-UHFFFAOYSA-N 316.400 5.525 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1c(Cl)ccc(Cl)c1F 2344337209 OTLRUGZNYNGGGX-ZUZCIYMTSA-N 304.236 5.385 30 10 DKEE O=C(C#CC1CCC1)c1ccc(-c2ccccc2Cl)s1 2362617529 BVZOJGYVBIJXJQ-UHFFFAOYSA-N 300.810 5.055 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1C 2364406654 IWYOUVVQEWSZGR-INIZCTEOSA-N 314.300 6.089 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccc(F)c(C)c1Cl 2364611152 WUAZMXMKDOYVDH-HNNXBMFYSA-N 300.845 5.442 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)CCCCC(F)(F)C(F)(F)F 2370489723 FESCNFNYTFINHB-RYUDHWBXSA-N 301.343 5.064 30 10 DKEE Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1O 59518727 ULTXYLRPALNCQM-LCHYZJQESA-N 317.348 5.264 30 10 DKEE CC(C)Oc1ccc(/C=C/C(=O)c2ccc(Cl)s2)cc1 83194483 UROCQCOLEGAYAT-VMPITWQZSA-N 306.814 5.085 30 10 DKEE CCCCCCCCCCCCN[C@@H](CC)c1nccs1 112979872 RVIALSUFQIGFMS-KRWDZBQOSA-N 310.551 6.105 30 10 DKEE CCCCCCCC[C@H](Cc1nc2ccccc2s1)NC 116000304 CTTBHUASGIAHOB-OAHLLOKOSA-N 304.503 5.177 30 10 DKEE CCCCCCCCCCCCCCCOS(C)(=O)=O 137409425 YXLHXVVEWIKTJT-UHFFFAOYSA-N 306.512 5.054 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(Cl)ccc1OC 162302667 MJFDQGVQIRCZQF-KRWDZBQOSA-N 311.897 5.879 30 10 DKEE CC(C)c1ccc(Oc2ccc(C#N)cc2Br)cc1 213287886 GKSBZKZHMFHXOU-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCC#Cc1ccc(-c2ccc(OC(C)=O)cc2)s1 253492115 OTTYQCJMPQYGLY-UHFFFAOYSA-N 312.434 5.272 30 10 DKEE CCCC1([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCC2)CCC1 686133991 TZIHIYBNKNQDGM-INIZCTEOSA-N 320.477 5.029 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc(C(C)C)cc1 710737600 MBTQEEYZPRHDFP-QGZVFWFLSA-N 316.445 5.022 30 10 DKEE CC[C@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 710800111 LIWXQBZFMOZOJI-HNAYVOBHSA-N 316.445 5.065 30 10 DKEE CCC(C#N)(CC)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 710834845 ZDCWAXGTEXNGBC-UHFFFAOYSA-N 322.836 5.164 30 10 DKEE C/C(=N\OCCCOc1ccccc1)c1ccc(C(C)C)cc1 1857936602 VCOLOULETCPNMD-HEHNFIMWSA-N 311.425 5.020 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cccc(Br)c1 1879648337 VGINPYNRXIGUOY-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CC1(C)CC[C@]1(C#N)Cc1sc(Cl)cc1Br 1903672829 FEJPBCVLUKEIJY-GFCCVEGCSA-N 318.667 5.036 30 10 DKEE CCCCCCCCC[C@@H](O)CCCNCc1ccccc1 1915221879 GODFEFUBFJQNOD-HXUWFJFHSA-N 305.506 5.058 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1975934374 CIIGKTSGMCFQOT-CQSZACIVSA-N 317.429 5.127 30 10 DKEE CCCCCC#CC[C@@H](O)c1ccc(C)c(Br)c1C 2138913589 CKSDXUSMUAZDEA-MRXNPFEDSA-N 323.274 5.073 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H](O)c1csc(Cl)c1 2154420635 ALPVKGJBZNPSIM-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(C(F)(F)F)ns1 2155035748 YMPLJPPQABWCNS-NSHDSACASA-N 308.413 5.302 30 10 DKEE C=CCCCC[C@@H](COc1ccc(Cl)cc1Cl)NCC 2179680656 UJEBRBWASNWVNW-AWEZNQCLSA-N 316.272 5.097 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Sc1nc2ccccc2s1 2184421058 TZFHXQIKOIXYOI-UHFFFAOYSA-N 320.801 5.112 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)[C@H](C)C(C)(C)O 2211146727 QVMKEBOBINGCNT-LJQANCHMSA-N 317.517 5.175 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Br)cs1 2214612517 DAVJNHBEDLNQQG-CYBMUJFWSA-N 316.308 5.427 30 10 DKEE C=CCCCCCCCOc1ccc(C#N)cc1Br 2227274412 JXZSDHUHEXKLST-UHFFFAOYSA-N 322.246 5.226 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Br)cc1C 2227275576 YEKUCGWGUZBYJT-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE CCCCCCCCCO[C@H](CN)c1ccc(Cl)s1 2231008414 IPOCVUVAFUDTMU-CYBMUJFWSA-N 303.899 5.169 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1cc(Cl)cc(Cl)c1 2231497920 WMVDNDXLNXCSRP-CHWSQXEVSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@@H](N)CSc1ccccc1Cl 2235518030 CFUSNJPLZZPRSV-OAHLLOKOSA-N 311.922 5.676 30 10 DKEE C=CCCCCCCC[C@@](C)(O)c1ccc(Cl)c(Cl)c1 2235537806 FDWJZGUKUGSGFM-QGZVFWFLSA-N 315.284 6.118 30 10 DKEE CCCCCCCCCOC[C@@H](NC)c1ccc(Cl)s1 2239462924 LQIZAPXJNAXHCZ-CQSZACIVSA-N 317.926 5.429 30 10 DKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)c1sccc1Cl 2239568475 KYWSPTVYOFXBQG-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE CCN[C@H](C#Cc1ccc(C)cc1)c1cc(Cl)c(Cl)s1 2239724967 JFSMBOQZZOOBEH-CQSZACIVSA-N 324.276 5.066 30 10 DKEE C#CCC[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265947257 VSQMREOCOMFVIZ-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE CC(C)c1cc(Br)cc([C@H]2CC[C@@](C)(CC#N)O2)c1 2266017142 GBMIVXVBTHYOID-CVEARBPZSA-N 322.246 5.096 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2c(F)cccc2Br)C1 2273936785 NGLRSOXFXQODHS-LRDDRELGSA-N 324.237 5.241 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(-c2cccs2)cs1 2287382151 FNRBJOGXJONCRI-OAHLLOKOSA-N 305.512 5.874 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 2287412291 BPAJKVRSIFUMIQ-CQSZACIVSA-N 305.771 5.495 30 10 DKEE C=CCCCCCC[C@](C)(OCCN)c1csc(Cl)c1 2294006645 OGGWSVLWSZRXPO-INIZCTEOSA-N 315.910 5.119 30 10 DKEE CCC(=NOCc1ccccc1Cl)c1ccc(C)c(C)c1 2330246327 MVVXMLSCWVNLJQ-UHFFFAOYSA-N 301.817 5.288 30 10 DKEE CCCC[C@@](C)(C#N)Cc1cc(Cl)c(OC)c(Cl)c1 2339973474 QWYZRHQOHVDQOR-OAHLLOKOSA-N 300.229 5.265 30 10 DKEE CC(C)(C)c1ccc(SC[C@@]2(CS)CC2(F)F)cc1 2351843657 BNQXDIUAHRFGPF-AWEZNQCLSA-N 302.455 5.031 30 10 DKEE CCN[C@@H](CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1C 2364413546 AIUDWCKCERTKBT-HNNXBMFYSA-N 312.284 5.392 30 10 DKEE CC[C@@]1(C)N(CCCCCCCCCS)CCC1(F)F 2365842036 DTWNWWDTLQKXIH-OAHLLOKOSA-N 307.494 5.157 30 10 DKEE C=CC[C@H](C)[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2370492302 SPELJSDOAYQUBF-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(C(F)(F)F)cc1Cl 2370502508 XZOZRMJPFLDFRM-UONOGXRCSA-N 305.771 5.351 30 10 DKEE N#C[C@H](CCCc1ccccc1)c1c(Cl)cccc1Cl 57685519 WLUVIKSVJOWRTJ-AWEZNQCLSA-N 304.220 5.623 30 10 DKEE COc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1C(C)(C)C 83192965 PJBUOFTUHXXMIH-ZRDIBKRKSA-N 308.421 5.197 30 10 DKEE CCOc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OC 83193417 JFUZNDJLQJNMKV-WUXMJOGZSA-N 324.420 5.113 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(F)c(Br)c2)C1 87972792 BTXONSGPBMIKHR-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE Cc1ccc(Nc2cc(Cl)ccc2C#N)c(Br)c1 110251043 UNEUKALBTQKPBY-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCCC(=O)c1ccc(Cl)s1 115062202 DJRCNHOEQIYECL-UHFFFAOYSA-N 300.895 6.505 30 10 DKEE CCCCCCCCCCC[C@H](O)c1ccc(Cl)s1 115064638 NTXNNAGMAYELTC-AWEZNQCLSA-N 302.911 6.356 30 10 DKEE CCCCCCCCCCCOc1cccc(C(=O)OC)c1 115879605 SDUDWWGOSMCPBN-UHFFFAOYSA-N 306.446 5.383 30 10 DKEE CCCCCCCCCCCC[C@@H](CS[C@@H](C)CC)NN 126619137 RDLRZPIKMKALAV-ROUUACIJSA-N 316.599 5.661 30 10 DKEE CCCCCCCCOc1cccc(Cl)c1C[C@H](N)CC 128747068 OWTMHTRERLRYDH-OAHLLOKOSA-N 311.897 5.359 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(F)c(F)c1F 157933689 KEMIITVKKMMELU-OAHLLOKOSA-N 301.396 5.505 30 10 DKEE CCCCCCCC(=O)c1ccc(Cl)c(Br)c1 159095887 VDSHDCWLEYWMLK-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE CCCN[C@](C)(C#N)CCCCSCc1ccc(Cl)cc1 166182076 SFFVYASTMIHYIH-KRWDZBQOSA-N 324.921 5.025 30 10 DKEE CCCCCCC[C@H](N)c1cc(Br)c(C)s1 227716830 PZMAJVIFQBTAHT-LBPRGKRZSA-N 304.297 5.179 30 10 DKEE CCCC(CS)(CCC)CO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 228070219 JBEWTFRITQRHEM-JFIYKMOQSA-N 312.563 5.734 30 10 DKEE CCCCCCCOC(=O)c1cc(Cl)nc(C(C)(C)C)c1 228482920 VKRVILGLRYQYEW-UHFFFAOYSA-N 311.853 5.160 30 10 DKEE CC[C@@H](C)c1ccc(O)c(N=C/C=C\c2ccc([N+](=O)[O-])cc2)c1 254742923 BPKLBAAQPKVDNQ-SWNSHJGDSA-N 324.380 5.230 30 10 DKEE N#C[C@@H](CSc1cc(Cl)cc(Cl)c1)c1ccccc1 388047585 BFQXZUFJWFZWTI-LBPRGKRZSA-N 308.233 5.393 30 10 DKEE CCCCCCCC[C@@H](OCCCCCC)C(=O)OCC 585668431 VKXXLOHPTUKYRD-QGZVFWFLSA-N 300.483 5.266 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1scnc1Cl 712910479 WEWWVVXRKJFJOE-CQSZACIVSA-N 317.926 6.141 30 10 DKEE C=CC[C@H](C)Sc1nc2ccc(Br)cc2s1 1899433564 QOBVKJXENBECRQ-QMMMGPOBSA-N 314.273 5.116 30 10 DKEE SCCCCCCN(Cc1ccccc1)CC1CCCCC1 1931883784 KUBZLPYGXMJKLK-UHFFFAOYSA-N 319.558 5.559 30 10 DKEE C=C([C@H](NCC)c1cc(Br)sc1C)C(C)(C)C 1947457537 WAJGMGUMIMZSNR-ZDUSSCGKSA-N 316.308 5.072 30 10 DKEE C=C(C)CCCNc1cc(Br)ccc1C(F)(F)F 2027883362 SXJHOXCNNHSKFU-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE C=C(C)C[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2045768422 YMAJXCGGRBQKHV-LBPRGKRZSA-N 306.664 5.654 30 10 DKEE CCCCC[C@H](CC)Nc1cc(Br)cc(C#N)c1 2073284821 HCOXKYYDNRLISV-AWEZNQCLSA-N 309.251 5.092 30 10 DKEE C=CCCCCCCNc1ccc(F)c(Br)c1F 2085840830 BZZQOAKKNJJQIA-UHFFFAOYSA-N 318.205 5.276 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(Br)cc2F)C1 2112239433 KUABGQHJEAROGE-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(C)cc1Br 2123080869 QSKASHVGNNRGHE-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CNc1cccc(C#Cc2cc(Cl)c(Cl)cc2Cl)c1 2136593061 NKYJPQHWEJUTBV-UHFFFAOYSA-N 310.611 5.088 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H](NC)c1ccc(Cl)s1 2147654532 NRWLQNBEESASAV-CZUORRHYSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@H](N)[C@H](O)c1cc(Cl)sc1C 2154433776 HVRVEPUOYXHVJG-GOEBONIOSA-N 317.926 5.211 30 10 DKEE CCCCCCCCCCCC[C@H](N)CCCCSC 2172990505 GPEWBSQGXCWIRD-SFHVURJKSA-N 301.584 6.158 30 10 DKEE CC1(C)CCCC[C@@]1(C=O)Cc1ccsc1C(F)(F)F 2173656660 UYCUDEJKAQSGDU-AWEZNQCLSA-N 304.377 5.095 30 10 DKEE N#CCN(Cc1cc(Cl)ccc1Cl)C1CCCCCC1 2195573411 WQBJOEPVZJAZED-UHFFFAOYSA-N 311.256 5.042 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203976208 MYKSUHKJVFANBF-QMTHXVAHSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCN(Cc1cccs1)CC(F)(F)F 2206897508 MZMVPDUTUHDYDK-UHFFFAOYSA-N 305.409 5.249 30 10 DKEE Cc1sc(C(=O)C2=CCCCCC2)c(Br)c1C 2215934967 IVWUJBFZOCDJDS-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE CCCCCCCCCCCOC[C@H](CS)CC1CC1 2239497673 GSIIWQMDJXHOGR-GOSISDBHSA-N 300.552 5.880 30 10 DKEE CCCCCCCCCCOc1c(N)ccc(F)c1Cl 2239508954 ADHTUUBXEAQZPM-UHFFFAOYSA-N 301.833 5.581 30 10 DKEE C=CCCCCCCOCc1cccc(Br)c1C 2256345305 UEUUDZLSDUUJCP-UHFFFAOYSA-N 311.263 5.411 30 10 DKEE Cc1ccc(Cl)c(Nc2c(Br)cccc2C#N)c1 2257481622 GYNXUASXZHDRDD-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCCCCSCCCC(=O)c1cccs1 2287092446 USHMIVCAHKINHD-UHFFFAOYSA-N 310.528 5.971 30 10 DKEE FC1CC2(C1)CC(COCCCCCCCCCS)C2 2288341091 YTRVWTDQJAFJSQ-UHFFFAOYSA-N 302.499 5.192 30 10 DKEE C=CCC[C@H](C)Oc1c(Cl)cc(CNC(C)C)cc1Cl 2296250406 IVEDGXPJQIHCGP-LBPRGKRZSA-N 316.272 5.225 30 10 DKEE C=CCCC[C@@H](NCCC)c1csc(C)c1Br 2303641235 ODMPXIFBCMQTAC-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1scc(Br)c1C 2304046303 PBIWYFLSQLBBOB-KBPBESRZSA-N 316.308 5.072 30 10 DKEE N#C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCCS1 2318657523 GDBLCSQKPFNUBD-AWEZNQCLSA-N 300.254 5.105 30 10 DKEE C=CCCCCC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2340804335 DRGMJLUKMPHFPC-AWEZNQCLSA-N 304.236 5.530 30 10 DKEE C=CCC(CC=C)Sc1c(CNCCC)sc(C)c1C 2360375558 PEOFZTUALQRDFI-UHFFFAOYSA-N 309.544 5.477 30 10 DKEE N#C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)C[C@H]2CC[C@H]1C2 2366900536 PSEGGORQIORTCU-GRDNDAEWSA-N 308.252 5.646 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377334892 NINVEQHDBHJLPO-MEDUHNTESA-N 318.263 5.776 30 10 DKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)CCCc2ccccc21 104199 NLWKPGKQYNPZAG-UVTDQMKNSA-N 317.215 5.596 30 10 DKEE Cc1ccc(OCCCCCCCCCS)c(Cl)c1 97799786 SMXRRLBTAQUXML-UHFFFAOYSA-N 300.895 5.688 30 10 DKEE N#Cc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1Cl 110251562 QPAWFYSYYQBYSX-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE Cc1ccc(Nc2cc(Br)ccc2C#N)cc1Cl 123055321 ZBZXQOJPVSIKDP-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccc(F)c(Cl)c1 126223597 ZLIJNMLHPHEBBP-KRWDZBQOSA-N 314.876 5.514 30 10 DKEE CCCCCCCC(=O)Nc1cccc(C)c1Br 132398809 JDJGETGIXJDDCB-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(F)c(C(F)(F)F)c1 159011720 ZFINKYMHHZJVEF-HNNXBMFYSA-N 305.359 5.595 30 10 DKEE CCCCCCCC[C@H](N)c1cccc(Br)c1C 159074648 NUUWLXPIYWPEPD-INIZCTEOSA-N 312.295 5.508 30 10 DKEE C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C(=O)O 299817818 VLQWZUQLAWRAFU-PZFAHHJVSA-N 302.458 5.372 30 10 DKEE C=CC(C)(C)CNc1cc(Br)ccc1C(F)(F)F 384823156 CORJOQLZKOMEKB-UHFFFAOYSA-N 322.168 5.092 30 10 DKEE CCCCCCCCN(C)Cc1csc(Br)c1 404270518 ZAXQRKIUMATGNX-UHFFFAOYSA-N 318.324 5.303 30 10 DKEE N#Cc1cccc(-c2ccccc2C(F)(F)F)c1C(F)(F)F 514260815 QYKHLRTXQNUPLR-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C=C1C[C@H]2CC(Nc3c(F)cccc3Br)C[C@@H](C1)C2 697304476 LGZDMAPPKRFBAX-FUNVUKJBSA-N 324.237 5.135 30 10 DKEE CCCCCCCCCCN1CC=C(Br)CC1 1943953019 PHGZYLBTWJYOIG-UHFFFAOYSA-N 302.300 5.112 30 10 DKEE CCCCCCCC[C@@H](O)c1scc(C)c1Br 1950886364 MZELQUBIAWPAHY-GFCCVEGCSA-N 319.308 5.603 30 10 DKEE CCCC[C@](C#N)(CC)Cc1sccc1Br 1978658292 CSMVZVJFJSNRBO-CYBMUJFWSA-N 300.265 5.163 30 10 DKEE CC1(C)CC=C(C(=O)c2ccccc2OCc2ccccc2)CC1 2010764969 PVFVCNQLLNHCQM-UHFFFAOYSA-N 320.432 5.585 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1c(C)cccc1Br 2040534137 POVKVTMXHUGTFW-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE C=CCCCCC[C@@](C)(O)c1ccc(C)c(Br)c1 2075714781 RMAGYWWAGFEXLC-MRXNPFEDSA-N 311.263 5.102 30 10 DKEE C=CCCCCCC[C@@H](NC)c1snc(Cl)c1Cl 2085840187 VUOHYAQWPGFZTE-SNVBAGLBSA-N 307.290 5.237 30 10 DKEE CC1(CCNc2ccc(Br)cc2C#N)CCCCC1 2094205491 UEQUVGDTCMNTAG-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCC#CCNc1ccc2cc(Br)ccc2c1 2138957628 YJUREDIWMPDRRQ-UHFFFAOYSA-N 316.242 5.208 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H](O)c1csc(Cl)c1 2154421127 FHHRIFIBLWICBV-ZBFHGGJFSA-N 317.926 5.293 30 10 DKEE CCCCCCC[C@@H](C)NCc1cc(C(F)(F)F)cs1 2161224882 DZOUTUJVSWWNRV-GFCCVEGCSA-N 307.425 5.606 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H](CC)CCC(C)C 2186015504 GLFLSKSDHYESOX-KRWDZBQOSA-N 301.584 5.649 30 10 DKEE CCCCCC#CC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 2203782046 RBDHOERQQOKQQY-MRXNPFEDSA-N 317.231 5.314 30 10 DKEE CCCCC#CC[C@@H](NC)c1cc(-c2cccs2)cs1 2203820901 AMDRDJWNPHNRQS-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE C=CCCC(C)(C)CNc1cc(Cl)c([N+](=O)[O-])cc1Cl 2234265849 LGUURNUUOMTSSJ-UHFFFAOYSA-N 317.216 5.306 30 10 DKEE C=CCCCCCCC[C@@H](NCC)C(F)(F)C(F)(F)F 2235542123 OXZCAMOMJJHWRT-GFCCVEGCSA-N 301.343 5.079 30 10 DKEE C=C[C@H](CCCCC)OCc1cc2sc(CN)cc2s1 2239484964 YLWWVONGJZFTOJ-GFCCVEGCSA-N 309.500 5.073 30 10 DKEE CC(C)(C)C#CC=CCN(Cc1ccccc1)Cc1ccccc1 2241569781 CNAVLYOSJVCNLW-UHFFFAOYSA-N 317.476 5.295 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(CCC)cc1 2248197066 AXVAADLDLOSWAZ-QFIPXVFZSA-N 323.480 5.063 30 10 DKEE CCCCCCCCCC(=O)c1ncc(C(C)(F)F)s1 2279196333 MYDDIGOSEKRRNL-UHFFFAOYSA-N 303.418 5.578 30 10 DKEE Cc1ccc(C(=O)C=CNc2cccc(C(F)(F)F)c2)cc1C 2296876391 QKYLZPWKHGEQAZ-UHFFFAOYSA-N 319.326 5.131 30 10 DKEE CCN(CC)c1ccc(C=C2CC[C@@H](C3CCCC3)C2=O)cc1 2297334192 MEWRVUFQFLRCIY-FQEVSTJZSA-N 311.469 5.086 30 10 DKEE O=C(C=CC(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 2297450892 BPBZBDJYAKTEQJ-UHFFFAOYSA-N 318.414 5.103 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCC)c1cc(Cl)ccc1Cl 2335098176 HGCFPOAALKTCDB-XHDPSFHLSA-N 318.313 5.342 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1ccc(Cl)cc1Cl)NC 2344350205 ZTFHNZNGVSFRKI-JKSUJKDBSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@H](NN)c1c(Cl)cc(C)cc1Cl 2352866324 GYRCUISKIYNFOQ-AWEZNQCLSA-N 303.277 5.167 30 10 DKEE C=CCCCCCCCC[S@](=N)(=O)CC[C@@H](C)C(F)F 2364119378 MDJGOJCGNGBFDO-VLIAUNLRSA-N 309.466 5.241 30 10 DKEE CC#CCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366806278 ROTVTVFSPALGIT-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccc(C)s1)[C@H]1CC=C[C@H]21 14456733 AZXFEKFCTPYYHC-PTSWNOGYSA-N 323.461 5.448 30 10 DKEE CC(C)c1ccc(-c2csc3nc(C(C)C)c(CC#N)n23)cc1 36255845 BMBXLCCYTZXIFN-UHFFFAOYSA-N 323.465 5.376 30 10 DKEE N#Cc1ccc(NC2CC(c3ccc(Cl)cc3)C2)cc1Cl 36846135 QTROQSGGMIZXDT-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CCCCCCCCCn1cc(C=O)c2cc(Cl)ccc21 104090183 UMJYAUGAMYEHFJ-UHFFFAOYSA-N 305.849 5.858 30 10 DKEE CCCCCCCCC(=O)Cc1ccccc1Br 109711234 FBFAPFLVCLSQDN-UHFFFAOYSA-N 311.263 5.311 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)c1ccc(Cl)cc1C#N 110258487 CLTPVGPRPZMNIT-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCCCCSc1ccc([C@H](C)NC)cc1 112831274 VGVSZHHLZFZNAC-KRWDZBQOSA-N 307.547 6.200 30 10 DKEE CCCCCCCCC[C@@H](CSC(C)(C)C)NCCC 115809197 ZKANHBIKUJQVFU-KRWDZBQOSA-N 301.584 6.027 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1sccc1OC 157875381 RKIQRRNESSULKY-MRXNPFEDSA-N 311.535 5.938 30 10 DKEE C=CCCC[C@H](NCCC)c1ccc(Br)cc1C 167708637 WXKULAQZEVJBPZ-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Br)cc1C 168331536 YCXRXFFILBYBCW-MRXNPFEDSA-N 313.279 5.542 30 10 DKEE CCCCCCCCOc1nc(NC)c(Cl)cc1Cl 226625198 KXXBSGAJNCQQOA-UHFFFAOYSA-N 305.249 5.169 30 10 DKEE N#Cc1cc(Br)cc(Oc2cccc3ccccc23)c1 227634033 FTGQGUSKDTYRMV-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE C=CCCCCC[C@H](Cc1ccc(Cl)cc1Cl)NCC 233603008 AWVSJYXGNZPDCL-MRXNPFEDSA-N 314.300 5.651 30 10 DKEE C=CCCC[C@H](C)N[C@@H]1CCOc2c(Cl)cc(Cl)cc21 398053765 CFQDYXJMQITQRN-XHDPSFHLSA-N 314.256 5.151 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Cl)c(Br)cc1C 698067084 CMJDZHORVHUGGL-SNVBAGLBSA-N 302.643 5.178 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@](C#N)(CCC(C)C)C1CC1 698382330 XVBMEPYIUQDWNY-BEFAXECRSA-N 322.493 5.131 30 10 DKEE CC[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698912941 XAMQHUHKQOJEKL-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712554715 UYAFCMALXYELTI-LBPRGKRZSA-N 312.162 5.152 30 10 DKEE CCCCCCCCCN1CCc2ccc(Br)cc21 713033224 XGQBIZBQBRUDPP-UHFFFAOYSA-N 324.306 5.562 30 10 DKEE C=C1CCC(C[C@H](NC)c2ccc(C)c(Br)c2)CC1 724549120 LHBNVYMRAMADIM-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1ccc(C)c(C)c1 1857935804 BHIRHQLWVCUDEL-OQKWZONESA-N 303.405 5.397 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)C[C@@](C)(CS)C(C)(C)C 1893644896 TXERPUUFVCXNRP-APWZRJJASA-N 307.547 5.269 30 10 DKEE CCCCCCC[C@](C)(N)Cc1cccc(Cl)c1Cl 1919525736 QHAVKIAHUPHFLV-INIZCTEOSA-N 302.289 5.614 30 10 DKEE C=C([C@@H](O)c1c(Cl)ccc(Cl)c1Cl)[Si](C)(C)C 1922964603 DZIKLFQQUXPQMV-GFCCVEGCSA-N 309.696 5.114 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1(C)CCCCC1 1975572525 DDGHFPMEJSVRCW-IBGZPJMESA-N 322.493 5.132 30 10 DKEE CCCCCCCCCOC(C)(C)[C@@H](C)NCc1ccccc1 1980735192 YROYJACCDPJAGS-LJQANCHMSA-N 319.533 5.711 30 10 DKEE C=C([C@H](NCC)c1ccc(Br)cc1C)C(C)(C)C 2035433935 HCAVLEVLVHDBKK-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ncc(SC)s1 2107977240 LNIIADRPZRGTNG-CYBMUJFWSA-N 300.537 5.266 30 10 DKEE CCCCCCCCCCCC[C@](C)(O)CSCCC 2144732142 BYJVKBJXQVDRLT-SFHVURJKSA-N 302.568 6.192 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H](O)c1cc(Cl)cs1 2148592222 RSFLIECVTIJAHC-ZBFHGGJFSA-N 317.926 5.293 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H](O)c1csc(Cl)c1 2154422060 LNVRXWVNBBBOJK-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE C=C(CC)C[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164166469 UHBUOCZWRDXSIN-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C=C([C@H](NCCC)[C@]1(C)CCCCC1(F)F)[Si](C)(C)C 2167949885 LQLNUZQGUTWNLT-GJZGRUSLSA-N 303.513 5.004 30 10 DKEE CCCCCCCCCCCCOC/C(C)=C/Br 2223234788 OZLJWNKIIQIOSM-JQIJEIRASA-N 319.327 6.223 30 10 DKEE C=CC[C@@H](C)[C@H](O)c1c(Cl)cc(Br)cc1Cl 2243538768 OIGMCNJXXVPYBA-KRTXAFLBSA-N 324.045 5.002 30 10 DKEE C=CCC[C@@H](C)NCc1cc(Br)cc(C(C)C)c1 2254743478 HXBHYECCLMPTNP-CYBMUJFWSA-N 310.279 5.017 30 10 DKEE C=CCC[C@@H](C)[C@@H](O)c1cc(Br)cc(C(C)C)c1 2254767649 DNJRWYPILGZVIU-MLGOLLRUSA-N 311.263 5.208 30 10 DKEE CCCCCCCCCCCOc1nc(Br)co1 2263202503 IFZLDBSVSVNKOJ-UHFFFAOYSA-N 318.255 5.347 30 10 DKEE CCCCCC(C)(C)CNc1c(Br)cccc1C#N 2269692658 MCQOMFXKNWXAQK-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE C=CCCCSC[C@@H](NCCC)c1ccc(Cl)c(F)c1 2287073899 ZGQRQWHXNJKHLV-MRXNPFEDSA-N 315.885 5.219 30 10 DKEE C=C(C)CCCC[C@@](C)(OCCCN)c1csc(Cl)c1 2293894572 BHAAMRVLWQZTIK-MRXNPFEDSA-N 315.910 5.119 30 10 DKEE CCCCCCCCCC(=O)c1cc(OC)c(Cl)s1 2340281814 UBDBZZILIOCJSI-UHFFFAOYSA-N 302.867 5.734 30 10 DKEE C=CCC(C)(C)[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2344342072 HCDZIENLYAJIIU-HNNXBMFYSA-N 300.273 5.246 30 10 DKEE C=CCC(CC=C)Sc1ccc(Cl)cc1CNC1CC1 2360369962 AFTVPEHPHZJLGS-UHFFFAOYSA-N 307.890 5.205 30 10 DKEE C=CCCCCCCCCC[C@@](C)(O)C1(Cl)CCCC1 2366287567 ABGYFZWYBHVQJX-QGZVFWFLSA-N 300.914 5.986 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1c(Cl)cccc1Cl)NCC 2370482265 LCBVDVYUQZXRLL-IRXDYDNUSA-N 314.300 5.506 30 10 DKEE CCC(C)(C)N(CCC#N)Cc1cc(F)c(Cl)cc1Cl 2377404462 BLMHDOUEBTWFIL-UHFFFAOYSA-N 317.235 5.037 30 10 DKEE C[C@H](/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1 32235981 IKKYRENVJRYEJZ-FLVDCRJSSA-N 309.412 6.173 30 10 DKEE Cc1ccc(C)c(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 59250365 JGRMAYVFGQKBAT-FYJGNVAPSA-N 308.812 5.498 30 10 DKEE COc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)cc1C(C)C 83193342 ATANOUDUKPINBR-ZHACJKMWSA-N 308.421 5.332 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2cc(C(C)(C)C)ccc2C)c1 96887855 CTLRFGOCACQJKY-ACCUITESSA-N 322.448 5.587 30 10 DKEE CCCCCCC[C@@H](C#N)Nc1cccc(Br)c1 103993319 OXOLWXQWYWYFQZ-HNNXBMFYSA-N 309.251 5.114 30 10 DKEE CCCCCCCCCCCCOc1cc(N)ccc1Cl 112179931 WYDNNWNIFMQKLP-UHFFFAOYSA-N 311.897 6.222 30 10 DKEE CCCCCCCCCC[C@@H](CSC1CCCC1)NN 126634363 UFODSOHSJNMHKE-INIZCTEOSA-N 300.556 5.025 30 10 DKEE N#Cc1cc(N[C@@H]2CCc3sc(Cl)cc32)ccc1Cl 129535815 INKIQZFDCFQNOY-GFCCVEGCSA-N 309.221 5.026 30 10 DKEE CCCCCCCC[C@H]1C(=O)Nc2ccc(Br)cc21 232926991 BWVUATXQEIVMJJ-CYBMUJFWSA-N 324.262 5.235 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CCCC[C@H]1C(F)(F)F 252986146 NIKSELZUQOROCX-OAGGEKHMSA-N 308.428 5.857 30 10 DKEE CCn1c(C)c(/C=N\[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc21 254821774 HWTLFJFPPLEFEW-OJHVBNGTSA-N 308.469 5.213 30 10 DKEE CCCCCCCC[C@H](Cc1ccsc1Cl)NCC 687927161 SVFPOWPPSATQES-OAHLLOKOSA-N 301.927 5.673 30 10 DKEE CC(C)[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 698359764 QIODEMYOASEFEM-APWZRJJASA-N 322.493 5.131 30 10 DKEE CC[C@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698876652 UHZNPJZIIXBNJH-KXBFYZLASA-N 322.493 5.275 30 10 DKEE O=C(C1=CCCCCC1)c1c(Cl)cccc1C(F)(F)F 712525481 GFHPPSIQNXPFPM-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE C=CC[C@H](C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 715753074 BGJRPVMGWYUQJW-NSHDSACASA-N 323.820 5.082 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Br)ccc1C 715816845 ZZHYJBJSUCZHCS-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE Cc1ccc(O)c(N=Cc2ccccc2OCc2ccccc2)c1 1084464378 XXHQDCYZULZUPD-UHFFFAOYSA-N 317.388 5.030 30 10 DKEE N#CCc1sccc1-c1cc(Cl)c(Cl)cc1Cl 1848359920 CDLCWFHTHCXBQH-UHFFFAOYSA-N 302.613 5.441 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc2c[nH]nc2c1 1865984985 SAAXDDMRHHKTPG-UHFFFAOYSA-N 315.461 5.422 30 10 DKEE CCCCCCCCCCNc1ccc(Cl)nc1Cl 1896244149 WBPRNXNQEWNVFK-UHFFFAOYSA-N 303.277 5.941 30 10 DKEE CC[C@@](C)(C#N)[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921047699 DMJNBGODQUVLLD-CVEARBPZSA-N 305.830 5.042 30 10 DKEE C[C@@](O)(c1cc(Cl)sc1Cl)C1(C#N)CCCCCC1 1921083695 QFXHQTGACQNPLI-CYBMUJFWSA-N 318.269 5.127 30 10 DKEE C=C([C@@H](NCCC)c1scc(Cl)c1Cl)[Si](C)(C)C 1923048485 WQHHNGJDRUFNNJ-GFCCVEGCSA-N 322.377 5.529 30 10 DKEE CCCCCCCCCCN1CCC(=CBr)C1 2004769030 AVUCCNVLEIWXOY-UHFFFAOYSA-N 302.300 5.112 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC1(C)C 2032104680 QPPURDPWNIDRBJ-BLLLJJGKSA-N 306.247 5.273 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H](NC)c1cscc1Cl 2148348275 XJMOEDYMFAYPBM-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164190858 UXGHBEUVVGCQRY-UKRRQHHQSA-N 303.496 5.484 30 10 DKEE c1csc([C@@H]2CSC(=Nc3cccc4ccsc34)N2)c1 2175643542 NCDFWWPFDXOMEP-LBPRGKRZSA-N 316.476 5.028 30 10 DKEE CCCCC#CC[C@H](NC)c1cc(-c2cccs2)cs1 2203820899 AMDRDJWNPHNRQS-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE C=CCCCCCC[C@@H](O)Cc1cccc(Cl)c1Cl 2227497745 ODLMDAZKSGWSRD-CQSZACIVSA-N 301.257 5.423 30 10 DKEE CCCCCCCCCCCCOC(=O)[C@H](S)C(C)C 2239492946 OIPLDLOLRUBZCU-MRXNPFEDSA-N 302.524 5.405 30 10 DKEE C[C@H]1CC=C(C(=O)c2scc(Br)c2Cl)CC1 2242656777 QSGVKNLAMJRMTO-ZETCQYMHSA-N 319.651 5.093 30 10 DKEE C=C(CC)C[C@@H](NCC)c1sc(Cl)cc1Br 2244969540 ULZNUTHNVAEIRJ-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE Cc1cc(Cl)c(Cl)cc1N[C@H](C)c1cccc(C#N)c1 2281488118 MKDHZPJJRUCTEF-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=CCCCCCCCSc1ccc(C(C)=O)c(Cl)c1 2287074865 KJQZGQRNAJXPQA-UHFFFAOYSA-N 310.890 6.161 30 10 DKEE CCCCCCCCC[C@@](C)(CSCCC)OCCN 2293456873 FLTCXFDOMNMCCH-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE CCCCCCCc1ccc(-c2ccc(C=CC(=O)O)cc2)nc1 2297322594 FEGMWBXZWGDJQA-UHFFFAOYSA-N 323.436 5.359 30 10 DKEE Cc1c(COCC[C@H](C)CCS)ccc(Cl)c1Cl 2317271966 AQFKRSYWGCGYIW-JTQLQIEISA-N 307.286 5.165 30 10 DKEE C=CCC(CC=C)Oc1ccc(Br)cc1C(C)(C)C 2341010658 HUBQLENISJTANH-UHFFFAOYSA-N 323.274 5.646 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(C(F)F)s1 2345161365 IPVBZOLNBMQJEW-LLVKDONJSA-N 309.853 6.090 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccc(Cl)c(Cl)c1C 2364010618 OBLRJOHEKKHHEY-HNNXBMFYSA-N 317.300 5.956 30 10 DKEE C=CC/C=C\C/C=C\CCCCCCCc1cccc(O)c1O 31476660 RUWDFSXBACIZCV-UTOQUPLUSA-N 314.469 6.060 30 10 DKEE biogenic CC(C)(C)[C@H]1CCC[C@H](Nc2ccc(Cl)c(C#N)c2)CC1 86955688 OKMCDPWFZORIGN-GJZGRUSLSA-N 304.865 5.619 30 10 DKEE CCCCCCCCC(=O)Nc1cc(Cl)ccc1Cl 109074279 PLNBKPBWXJABDY-UHFFFAOYSA-N 302.245 5.683 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(Cl)cc1Cl 115062896 LUPKBWQNVMYRBZ-INIZCTEOSA-N 302.289 6.134 30 10 DKEE CCCCCCCCCC(=O)[C@@H](C#N)c1cccc(Cl)c1 115858022 MKUNROJKYSWSDS-KRWDZBQOSA-N 305.849 5.657 30 10 DKEE O=C(C=C1CCCCC1)c1c(Cl)cccc1Br 304365763 ZIQVTNVBMRRAFL-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCCCCCCCCC[C@@H](CCOCc1ccccc1)NC 395560537 LFNUJEUYAOQTSO-NRFANRHFSA-N 319.533 5.712 30 10 DKEE C=CCC[C@@H](NCCC)c1ccccc1NC(=O)OC(C)(C)C 406859741 RPTQPYOABGKBHE-MRXNPFEDSA-N 318.461 5.041 30 10 DKEE N#Cc1ccc([C@H]2CCN(Cc3ccccc3)c3ccccc32)cc1 616586466 CMLITZNRXALSOK-OAQYLSRUSA-N 324.427 5.100 30 10 DKEE C=CCCCCCNc1ccc(Br)c(F)c1C 694025452 AZCAWNPJATURJJ-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE CC[C@H]1CCC[C@H](Nc2ccc(Br)c(C#N)c2)CC1 709685598 NQHSETWMQJSRKI-JSGCOSHPSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCNC(=O)c1ccccc1SCC 1859577738 MQBGYUGDTBOBGI-UHFFFAOYSA-N 321.530 5.669 30 10 DKEE C=CCN(C(=O)c1ccccc1F)C1CCC(C(C)(C)C)CC1 1860017345 FBPSMWYMHJWXHC-UHFFFAOYSA-N 317.448 5.059 30 10 DKEE C=C(C)COc1cc(C)n(CCCCCCCCCC)c(=O)c1 1860784839 HRBWYMKBLVDRFV-UHFFFAOYSA-N 319.489 5.252 30 10 DKEE C=C(CC)CCc1ccc(Br)cc1Br 1956841466 XEBHIOXAWONYEM-UHFFFAOYSA-N 318.052 5.110 30 10 DKEE C=C(CC)C[C@H](NCCC)c1sc(Br)cc1C 2000386781 DOWWZLFCDWFEHY-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE CCCCCC#CCC(=O)c1ccccc1OCc1ccccc1 2024420361 ZOBDNUKXGUHZHS-UHFFFAOYSA-N 320.432 5.422 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](C)c1ccc(C)c(Br)c1 2043816324 FGMPJXATWNIARK-KGLIPLIRSA-N 310.279 5.153 30 10 DKEE CCCC[C@@](CC)(CCC#CBr)CNC(C)(C)C 2051135678 SLRGEEAVVLCENX-INIZCTEOSA-N 316.327 5.097 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccccc1Br 2053382548 IASYBNOZELIKSK-MRXNPFEDSA-N 306.247 5.102 30 10 DKEE CCc1c(OC(F)(F)F)ccc(C(F)(F)F)c1C(F)F 2060350483 BJRXZQAVNMGTQZ-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CCc1ccc(C(F)(F)F)c(C(F)F)c1OC(F)(F)F 2060360736 ZDZRKBKVOANQSQ-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE FC(F)c1cc(OC(F)(F)F)ccc1SC(F)(F)F 2081022176 UFVCJLHDEMDICR-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE CCCCC#CCC[C@@H](NCC)c1ccc(Br)cc1 2138982351 VTXYMTAHJFVAFW-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)c2csc(Cl)c2)C1 2154440543 LUQYTHZILGBQBV-CYBMUJFWSA-N 311.878 5.181 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ncc(SC)s1 2164239652 OEDFTJSYSNFWCG-AWEZNQCLSA-N 314.564 5.656 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2csc(C(F)(F)F)c2)C1 2182157960 MQOCBGQQOVWVLH-CYBMUJFWSA-N 303.393 5.164 30 10 DKEE C=CCCCCCCCCC(=O)[C@H](O)c1sccc1Cl 2207381598 KAWFSBQGZMVWJZ-HNNXBMFYSA-N 314.878 5.311 30 10 DKEE CCCCCCCCCOCCCB1OC(C)(C)C(C)(C)O1 2212476764 XOEPLXLBOXWXKQ-UHFFFAOYSA-N 312.303 5.236 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Br)c(C)c1 2227289008 RPUUQDQYICPABT-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc2c(s1)CCSC2 2235542387 RRPNVASJUSLWPW-OAHLLOKOSA-N 310.528 5.488 30 10 DKEE CCCCCCCCCCCOC(=O)c1csc(Cl)n1 2239510488 NEZUAZMCYDINHB-UHFFFAOYSA-N 317.882 5.484 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc(C)c(Cl)s1 2277229854 RFXCAHIUBXOWGI-ZDUSSCGKSA-N 303.899 5.087 30 10 DKEE CCC(F)(F)CCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2283701849 KUUALUAYZZSKPE-MELADBBJSA-N 303.462 5.510 30 10 DKEE C=CCCCS[C@H]1CCCCCC(F)(F)[C@@H]1NCCC 2287062804 KBMCKBNHHXEUPC-LSDHHAIUSA-N 305.478 5.022 30 10 DKEE CCCCCCCCC[C@@H](OCCN)c1cscc1Cl 2293447250 YCKGKLCWAWZHDX-MRXNPFEDSA-N 317.926 5.559 30 10 DKEE CCCOc1ccc(C=CC(=O)c2ccc(C)cc2)cc1OCC 2295562500 BVYWQZFXNAKXNP-UHFFFAOYSA-N 324.420 5.079 30 10 DKEE CCCCCCCCC[C@](C)(N)c1ncc(C(F)F)s1 2295583118 LNVVMXZANFHWRB-HNNXBMFYSA-N 304.450 5.395 30 10 DKEE Cc1[nH]c2ccccc2c1C(=O)C=Cc1cccc2ccccc12 2297314831 WHCUCWRUVIPMHN-UHFFFAOYSA-N 311.384 5.526 30 10 DKEE CC[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1ccccc1C)C2=O 2324718600 ATTJJVYLBAMQHN-HNNXBMFYSA-N 322.404 5.097 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(F)c(C)c1 2330485126 DYGLQBPPRAIGTA-UHFFFAOYSA-N 313.416 5.372 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340801716 QNKFBQGITVVECJ-HZMBPMFUSA-N 302.220 5.139 30 10 DKEE C[C@@H]1CCCC[C@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366910776 UDGJUPPILRIAQP-CXAGYDPISA-N 310.268 6.036 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 14549854 IDVMBNGZFZMBSR-WFXMLNOXSA-N 321.395 5.217 30 10 DKEE C[C@H](Nc1cccc(C#N)c1)c1c(Cl)ccc(F)c1Cl 35790287 DYZKKOKSYWOCOS-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C[C@@H](Nc1cccc(F)c1C#N)c1cc(Cl)ccc1Cl 36138650 OYTDFWQOILTAOA-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#Cc1ccc(CSCc2ccc(Cl)c(Cl)c2)cc1 58238682 JHOJGPCAHNFFTL-UHFFFAOYSA-N 308.233 5.298 30 10 DKEE Cc1cc(OCC(C)C)ccc1C(=O)/C=C/c1ccc(F)cc1 83192989 ZNOUZLDVFKFLPG-IZZDOVSWSA-N 312.384 5.065 30 10 DKEE CC(C)N(Cc1ccccc1)CC1(CS)CCCCCC1 94578612 DEJHRASPASXYDE-UHFFFAOYSA-N 305.531 5.167 30 10 DKEE CC(C)(C)[C@H](CS)CSc1ccc(Cl)c(Cl)c1 94589592 UTAMRKNYFJQDNT-SECBINFHSA-N 309.327 5.678 30 10 DKEE CC(=O)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1 100041507 BXAGLCSVNRUPNX-BUVRLJJBSA-N 323.395 5.946 30 10 DKEE CCCCCCCCCSc1ccc(C(=O)C2CC2)cc1 104683088 AWRYSCZTUBKSAN-UHFFFAOYSA-N 304.499 6.122 30 10 DKEE CCCCCCC[C@@H](Cc1c(F)cccc1Cl)NCCC 110518469 VSIHDXVSPAKGQY-HNNXBMFYSA-N 313.888 5.750 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)cc1Cl 111041389 ABVZWOFBNNABOK-GXFFZTMASA-N 316.754 5.243 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(Cl)cc1Cl 115062898 LUPKBWQNVMYRBZ-MRXNPFEDSA-N 302.289 6.134 30 10 DKEE CCCCCCCCCCN[C@H]1CCCC[C@H]1C(F)(F)F 129305610 HJQZTBVEXKSBOQ-CVEARBPZSA-N 307.444 5.838 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(OC)cc1Cl 164427971 FICBGSDWTIMPMA-OAHLLOKOSA-N 319.272 5.786 30 10 DKEE C=CCN(CC=C)C(=S)NC1CCCCCCCCCCC1 244055803 TVVKQILDXMWSRA-UHFFFAOYSA-N 322.562 5.208 30 10 DKEE CCCCCCCCCC(=NO)c1ccc(OCCC)cc1O 254853241 FZMBEQQNEZPYBB-UHFFFAOYSA-N 321.461 5.500 30 10 DKEE CCCCO[C@]1(CCCC)C=CC(N=Cc2ccccc2)=CC1 257353260 QEQZIMFOIZKHQM-OAQYLSRUSA-N 311.469 5.695 30 10 DKEE CCCCCCCCCCCCS[C@H](C)CCC(=O)O 386149205 XHJBJRGIRZGLLB-MRXNPFEDSA-N 302.524 5.894 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)C[C@@H](CS)c1ccccc1 395707816 OREMMRFNJKZNPJ-XLIONFOSSA-N 313.510 5.001 30 10 DKEE CCCC[C@H](C)N(C(=O)c1cccc(C#N)c1)c1ccc(C)cc1 1859999548 SUDNMMYWICJPGZ-KRWDZBQOSA-N 320.436 5.092 30 10 DKEE CCCCCCCOc1ccc(NC(=O)CCCCCC)cc1 1860158638 MXVMBQKCPCUEOV-UHFFFAOYSA-N 319.489 5.945 30 10 DKEE C[C@@](O)(CC#CC1CCCCC1)c1cccc(Cl)c1Cl 1920032337 BLSIUIUXRFQDNI-QGZVFWFLSA-N 311.252 5.175 30 10 DKEE CCCCCCC[C@@](N)(CC)c1ccc(Br)cc1 1920439734 DHKKJCUYJAVNNS-INIZCTEOSA-N 312.295 5.374 30 10 DKEE C=C(COCc1ccccc1)C(=O)CCCCCCCCC 1922063577 WRJPERIGNDCWHT-UHFFFAOYSA-N 302.458 5.469 30 10 DKEE C=CCCCCC[C@H](N)c1c(Cl)cccc1Br 1948981974 FVLSWBKQDMXUEG-ZDUSSCGKSA-N 316.670 5.239 30 10 DKEE CCCCCCCCCCN1CC[C@H](OCc2ccccc2)C1 1990796645 GXFNRBHHRWTMMX-NRFANRHFSA-N 317.517 5.418 30 10 DKEE C=CCC[C@H](O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993582179 GCDKIIWQKYIHTR-KRWDZBQOSA-N 319.445 5.157 30 10 DKEE O=C(C=CNc1ccc(F)cc1)c1cc(Cl)sc1Cl 2040742049 HKDOGJBUIUTQOT-UHFFFAOYSA-N 316.184 5.003 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cccc(Br)c1C 2046000997 WHTXHABFNXQXTH-MRXNPFEDSA-N 308.263 5.410 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1ccc(F)cc1C 2070131003 KOVTWCQVUSCVDU-NRFANRHFSA-N 324.443 5.359 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2149848574 ATPGNNHGUQCABY-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2cccc(Cl)c2Cl)C1 2168548994 SOYHRKKZKBTIGZ-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE CC1(CC(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)CCCC1 2168898061 VUTKNCMWDBYUGU-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE O=C(C=C1CCCCC1)c1ccc(C(F)(F)F)c(Cl)c1 2177050964 RXNKWLYISUPMNH-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCCCCCCCCC[C@](C)(N)C(F)(F)C(F)(F)F 2182462300 OGVMOZOWIMCUQM-LBPRGKRZSA-N 303.359 5.432 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1cc(Cl)cc(C(F)(F)F)c1 2200838765 AFEXOCMWFMBPTR-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C=C1CCC(C[C@@H](O)c2ccc(-c3cccs3)s2)CC1 2205865607 LNDFZOZVAGRIMI-CQSZACIVSA-N 304.480 5.647 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1nc(-c2ccccc2)cs1 2234271867 OJAVMNGJJQHGFH-ZDUSSCGKSA-N 323.552 5.494 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(Cl)cc(F)c1Cl 2240619961 NQILWMQRKSAMJP-MRXNPFEDSA-N 320.279 6.057 30 10 DKEE C=C(C)CCCC[C@H](O)c1sc(Cl)cc1Br 2244958231 TVRAVHKJPIKBKJ-JTQLQIEISA-N 323.683 5.334 30 10 DKEE C=CCCCCCCCNc1cc(Br)cnc1C 2254080845 UIPYEQNMDOMUNP-UHFFFAOYSA-N 311.267 5.091 30 10 DKEE CCCCCCCC[C@H](C)Nc1c(F)cc(Cl)cc1F 2281516203 SUWZBRQWFRYUTI-LBPRGKRZSA-N 303.824 6.169 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1csc(Cl)c1OC 2284286503 AJKBSHIBCBJIDP-CQSZACIVSA-N 315.910 5.587 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Br)c(Cl)c1 2304036201 SNXHKHZDLSDDLD-KBPBESRZSA-N 316.670 5.095 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Cl)c(Cl)s1 2339571937 JYNQEQKHLUVSPQ-JQWIXIFHSA-N 316.297 5.145 30 10 DKEE C=CC(C)(C)CCNCCCc1cc(Cl)cc(Cl)c1 2341126487 IRUPQQCBYDBIPA-UHFFFAOYSA-N 300.273 5.118 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 14465881 APCUYBLPUZMKNZ-IQUTYRLHSA-N 306.796 5.038 30 10 DKEE CCOc1cc(C)c(C(=O)/C=C/c2c[nH]c3ccccc23)c(C)c1 83193618 QWULEMXYCUQKNJ-MDZDMXLPSA-N 319.404 5.080 30 10 DKEE Cc1cc(C)c(C(=O)/C=C/c2cn(C)c3ccccc23)cc1Cl 83194224 IABKTICLVXMUGD-CMDGGOBGSA-N 323.823 5.345 30 10 DKEE N#CC1(Sc2ccccc2Br)CC2(CCCC2)C1 90246240 YSGXPDVTPDTJBL-UHFFFAOYSA-N 322.271 5.158 30 10 DKEE CCCC(CS)(CCC)CO[C@H]1C[C@H](C)CC(C)(C)C1 94583966 FEHNMNCIXIWDOF-HOTGVXAUSA-N 300.552 5.734 30 10 DKEE SCCCCCCCCCSc1ccc(Cl)cc1 97800068 PCJXNMCQUYXMSM-UHFFFAOYSA-N 302.936 6.093 30 10 DKEE CCCCCCCCCCNc1ccc(Br)cc1 104001844 IEXBETZPLOEAQQ-UHFFFAOYSA-N 312.295 6.002 30 10 DKEE CCCCCCC[C@H]1CC/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 106131041 ZRIKPMJDLRUGKA-YKBBIGDRSA-N 315.413 5.318 30 10 DKEE CCCCCCCCC(=O)Nc1nc2ccc(C)cc2s1 107934648 NYQOIQFUFOCNMF-UHFFFAOYSA-N 304.459 5.294 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cccc(F)c1Cl 122228172 AKFMJTNDUQNFMQ-OAHLLOKOSA-N 300.849 5.124 30 10 DKEE CCCCCCCC[C@H](N)c1cc(C)cc(Br)c1 159023058 SPIYYBMFRSTLGU-INIZCTEOSA-N 312.295 5.508 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)c(Br)c1 160948650 OAYFQZIYONBCNN-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCC[C@H](O)c1c(F)cc(Br)cc1F 168209542 RVTFPOZDAGIPQJ-ZDUSSCGKSA-N 321.205 5.121 30 10 DKEE CCCc1ccc(-c2ccc(C#Cc3ccc(F)cc3)cc2)cc1 196250345 KSOYHGSRXZWHOQ-UHFFFAOYSA-N 314.403 5.845 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccccc2Cl)C1 233308596 COWLDJWVLDGXCY-CPUCHLNUSA-N 307.890 5.682 30 10 DKEE CCCCCCCC=NNc1nc(-c2ccccc2)cs1 254400483 IETLCXONTNNCGL-UHFFFAOYSA-N 301.459 5.568 30 10 DKEE C(/C=C\c1ccccc1)=Nc1ccc2oc(-c3ccccc3)nc2c1 254554899 IMVWCLZUTNURIR-LDRMDXNTSA-N 324.383 5.911 30 10 DKEE CC#CCC[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 310396593 FSCRJOIUYZOZRK-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)c(C#N)c1 379890543 ZVFXUPOPURZXHT-UHFFFAOYSA-N 315.372 5.238 30 10 DKEE Cc1c(Cl)cc(Nc2ccc(C#N)c(F)c2F)cc1Cl 690255415 UBTJCRYIGBIQQS-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CCSc1ccc(/C(CC)=N/OCc2ccc(F)cc2)cc1 821226703 HQHHGKIDYNFEHL-CZIZESTLSA-N 317.429 5.269 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CC2(CCCCC2)C1 1912691777 YTVCSCRVVQLTJK-HNNXBMFYSA-N 320.477 5.029 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Cl)c(Cl)c1)[Si](C)(C)C 1922972857 DEIASAYVBBZKRU-OAHLLOKOSA-N 316.348 5.468 30 10 DKEE CCCCCCC[C@@H](N)c1cc(C)sc1Br 1940027412 HMKNSYPHOPOTJO-GFCCVEGCSA-N 304.297 5.179 30 10 DKEE FC(F)c1cc(C(F)(F)F)c(OC(F)(F)F)cc1Cl 2054961484 SVYLBOHCRPHTCM-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=C1CCC(N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)CC1 2101211341 DUFNSGHXXZHAIM-SNVBAGLBSA-N 318.675 5.796 30 10 DKEE CCCC[C@](C)(C#N)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2108209511 ZYOQMJISDJJSLL-UONOGXRCSA-N 320.647 5.400 30 10 DKEE CCCCCCCCC[C@@H](NC)c1snc(Cl)c1Cl 2110899599 GAQNOUFVBCIIKE-LLVKDONJSA-N 323.333 5.851 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccc(F)c(Br)c1 2117012667 BORXODLYLJKXCB-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1ccc(Cl)c(Cl)c1 2173629902 RCGXFACYUSCHQB-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE CC[C@@](C#N)(C(C)C)[C@H](O)c1cc(-c2cccs2)cs1 2184377331 HJUYWKBVICIMOE-HZPDHXFCSA-N 305.468 5.086 30 10 DKEE CCSc1cccc(N(C)c2cccc(Cl)c2)c1C#N 2204437129 LFVGLNHEZMXKOH-UHFFFAOYSA-N 302.830 5.092 30 10 DKEE SCCCCCCCOCc1ccc(Cl)cc1Cl 2263148892 LQEFYGMOEHVAHJ-UHFFFAOYSA-N 307.286 5.390 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(Cl)cc1OC 2279053291 VCUBRZYBNPOLGK-UHFFFAOYSA-N 317.256 5.935 30 10 DKEE CCCCCCCCNCc1sc(C(F)(F)F)cc1C 2295049585 NIFQRANUBZIGGO-UHFFFAOYSA-N 307.425 5.525 30 10 DKEE CSc1c(C)cc(Oc2cccc(Cl)c2C#N)cc1C 2295064100 MBKUQQWJCDZLCV-UHFFFAOYSA-N 303.814 5.343 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@H](N)C#Cc1ccccc1Cl 2295230053 TUOYSZACMSDFNA-MRXNPFEDSA-N 324.638 5.007 30 10 DKEE CCc1ccc(C(=NOCc2ccccc2Cl)C2CC2)cc1 2330301588 WRZLHJSQBYFDOD-UHFFFAOYSA-N 313.828 5.233 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](CC)c1cccc(Br)c1 2337066910 CMIOZMLOAYCGNF-RRQGHBQHSA-N 322.290 5.235 30 10 DKEE C=C[C@@H](C)C[C@H](CCCc1cc(Cl)cc(Cl)c1)NC 2341152049 JQVKNZPLYWQQPD-WBMJQRKESA-N 300.273 5.116 30 10 DKEE CC(C)C[C@H](CS)CSCC1(C)CC(C(F)(F)F)C1 2353843175 OHXUNDJBNPPXHN-PNESKVBLSA-N 314.482 5.290 30 10 DKEE COc1ccc2c(c1)C(=O)/C(=C\c1cccc3ccccc13)CC2 33869754 XYOBHXUVULLJQM-AQTBWJFISA-N 314.384 5.061 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(F)c(Cl)c1 36972814 PNNYTBYDURQECO-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Sc1cc(Cl)ccc1Cl 37154541 TVQOVUXYQUOEOI-ZWNOBZJWSA-N 300.254 5.558 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2cccs2)C(C)C)C1 222798444 SUGACOSGUKFIRI-NUJGCVRESA-N 304.503 5.067 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)c3cccnc23)c(Cl)c1 227861687 RPTLKFNUOGMYDX-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCCCCC[C@@H](Cc1cncs1)NCC 229228596 HXXGMWKWVCCZDV-KRWDZBQOSA-N 310.551 5.585 30 10 DKEE CCCCCCCC[C@@H](O)c1cccc(Br)c1F 232935604 KXSRAEILRXVWCL-CQSZACIVSA-N 317.242 5.372 30 10 DKEE Cc1cc(C(=O)C2=CCCCCCC2)cc(C)c1Br 235837114 SULKPUIGCFPRMO-UHFFFAOYSA-N 321.258 5.529 30 10 DKEE ON=C(CCCCCCC(=NO)c1ccccc1)c1ccccc1 252592255 BEFLIAHHHDUGST-UHFFFAOYSA-N 324.424 5.084 30 10 DKEE CCCCCCCCCCNC(C)(C)COCc1ccccc1 389939101 ALWVNBFVWAEWSA-UHFFFAOYSA-N 319.533 5.712 30 10 DKEE C=CC[C@@H](CC)N[C@H](c1cccs1)c1ccc(Cl)s1 393788146 WVDAQFZUXLITGI-IAQYHMDHSA-N 311.903 5.497 30 10 DKEE CCCCCCCCNc1cc(F)c(Br)c(F)c1 689665688 SPJLTMKVDIPSFZ-UHFFFAOYSA-N 320.221 5.500 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc2cscc2s1 694332127 MMOMXLBKEYDXMY-OAHLLOKOSA-N 309.544 6.364 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1ccc(Br)cc1 704452313 BFGHQQSLSKLZTP-MRXNPFEDSA-N 312.295 5.070 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(C(C)C)cc1 821217614 FZAZEYLXFVXXKT-XUTLUUPISA-N 315.844 5.794 30 10 DKEE Cc1ccc(N=Cc2ccc3ccccc3c2)cc1Br 1084430137 XBODFOMZTBDNOE-UHFFFAOYSA-N 324.221 5.661 30 10 DKEE CCCCCCCCCOc1cccnc1NC(=O)CC(C)C 1858750011 HIIIUOWPDXDGOX-UHFFFAOYSA-N 320.477 5.196 30 10 DKEE CCCCCCCCCCCC(=O)NCCc1ccc(C)cc1 1865985063 ZBHMEKYXLFMBKT-UHFFFAOYSA-N 317.517 5.575 30 10 DKEE CCCCCCCCCCN(C)Cc1ccc(Cl)s1 1883860964 BSGHIRRSIKPMGB-UHFFFAOYSA-N 301.927 5.974 30 10 DKEE C[C@H](c1cccs1)N(CCCCS)Cc1ccccc1 1915087561 XKAQLZDYMLLKRN-OAHLLOKOSA-N 305.512 5.021 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)c1cccc(Cl)c1 1917896443 FSIKTZFGSPWDML-LJQANCHMSA-N 301.883 5.496 30 10 DKEE C=C(C(C)(C)C)[C@]1(O)CCC(C)(C)C[C@H]1OCc1ccccc1 1977458654 BRCWAFIORZVXMA-WIYYLYMNSA-N 316.485 5.115 30 10 DKEE C=CCCN(Cc1ccccc1)c1cccc(SCC)c1C#N 1986883364 QOPKCBXOSTXRJT-UHFFFAOYSA-N 322.477 5.253 30 10 DKEE CCCCCCCCCC(=O)c1scnc1Br 2000190510 ORHZWCUMNKSPSU-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE C=CCCC[C@@H](NCC)c1c(Cl)cccc1Br 2000327166 PHMSJBPUNDFISH-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCC(=O)[C@H](O)c1csc(Cl)c1 2154438520 BQVBHHSDZXVYLH-MRXNPFEDSA-N 316.894 5.535 30 10 DKEE C=CCC[C@H](C)[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2158316909 URVVSJSFXKDNSH-SJCJKPOMSA-N 306.858 5.704 30 10 DKEE C=C1CCC(CC(=O)c2cc(-c3cccs3)cs2)CC1 2163964094 OCOWFSUEXANPJN-UHFFFAOYSA-N 302.464 5.796 30 10 DKEE C=CCC[C@@H](C)[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2164005872 GNLABPGHQUROID-SJKOYZFVSA-N 305.874 5.671 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1cc(Cl)cc(Cl)c1 2173628647 HVHCLSCMLMXZRG-ZBFHGGJFSA-N 312.240 5.137 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1cccc2ccsc12 2184416445 QAMXAHCBXYRKJG-UHFFFAOYSA-N 303.745 5.358 30 10 DKEE C=CCCCCCC[C@](C)(N)c1ccc(C(F)(F)F)s1 2206886829 VJBVKBNBVYMDHQ-AWEZNQCLSA-N 305.409 5.467 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H](O)c1sccc1Cl 2207381599 KAWFSBQGZMVWJZ-OAHLLOKOSA-N 314.878 5.311 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cccc(Cl)c1Cl 2235524923 VXLPBQNYLZTPJF-HNNXBMFYSA-N 315.288 5.415 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(C)c(Br)c(C)c1 2259196143 FCNTVLVVUQRXOD-HNNXBMFYSA-N 310.279 5.202 30 10 DKEE C=C(C)CCCC[C@@H](Cc1ccccc1Br)NCC 2271782357 XDKJGWFDQBVPNW-INIZCTEOSA-N 324.306 5.106 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@H](N)C#Cc1ccc(Cl)cc1 2286477799 XFRMHPKCRUCICQ-MRXNPFEDSA-N 324.638 5.007 30 10 DKEE CSCC1(CC2(C=O)CCCCCCC2)CC(F)(F)C1 2289662313 HZEZDMXAOJGOOQ-UHFFFAOYSA-N 304.446 5.085 30 10 DKEE C=C1CC([C@@H](NCCC)c2cccc(OCc3ccccc3)c2)C1 2299515962 WJFSJFBEKVZFAI-QFIPXVFZSA-N 321.464 5.273 30 10 DKEE CC[C@@H](C)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324706660 PUQXEIUWMNJXHG-OAHLLOKOSA-N 320.388 5.036 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(F)c(Cl)c(Cl)c1 2352385968 BPOMQKBAXCQCAO-CQSZACIVSA-N 304.236 5.385 30 10 DKEE CCCC[C@](C)(C=O)[C@H](C)c1ccc(Cl)c(C)c1Cl 2353214538 UGPQICGTQOGBJY-MLGOLLRUSA-N 301.257 5.801 30 10 DKEE CCCC(CS)(CCC)COCCCCCC(F)(F)F 2362706881 CXWXNBICZBPRKN-UHFFFAOYSA-N 314.457 5.642 30 10 DKEE C=CCCCCCCCC[S@](=N)(=O)CC[C@H](C)C(F)F 2364119379 MDJGOJCGNGBFDO-XOBRGWDASA-N 309.466 5.241 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ncc(C(F)F)s1 2369551060 HOASHOFVRSYKIW-GFCCVEGCSA-N 302.434 5.387 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154022 OJCPJZSQNWJVGW-WOSRLPQWSA-N 307.890 5.787 30 10 DKEE Cc1ccc(C)c(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1 37344143 SOEQZHILPUBUKS-ZDUSSCGKSA-N 318.203 5.100 30 10 DKEE Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(OCCC(C)C)cc1)O2 39842405 MCBLHIFYMWZACI-MOSHPQCFSA-N 322.404 5.036 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 58929224 QMFBIJCURQSFID-ZUEVXXBESA-N 306.796 5.038 30 10 DKEE Cc1ccn2c(/N=N\c3ccccc3C#N)c(C(C)C)nc2c1 71582846 MLNUCOPEZSXFMV-DQRAZIAOSA-N 303.369 5.053 30 10 DKEE COc1cc(C)c(Cl)c(C)c1C(=O)/C=C/c1sccc1C 83193230 VKRUDWKMXQKKLT-AATRIKPKSA-N 320.841 5.231 30 10 DKEE C[C@@H](CCS)CCOc1c(Cl)cc(Cl)cc1Cl 94582306 GLKZTVIIYLSRHA-MRVPVSSYSA-N 313.677 5.372 30 10 DKEE CC[C@H](CS)COc1cc2sc(C)nc2c2sccc12 94582493 TWGUWYAPQNGGRI-JTQLQIEISA-N 323.508 5.154 30 10 DKEE CCCCCCCCC[C@H](CNCC)c1ccccc1Cl 118863837 LOCOKKFOYNLMNX-QGZVFWFLSA-N 309.925 6.174 30 10 DKEE CCCCCCCCC[C@H](CSc1cccc(C)c1)NN 126953471 BGHYSRKITCUCLA-QGZVFWFLSA-N 308.535 5.060 30 10 DKEE CCCCCCCCCCC[C@@H](CCc1ccsc1)NC 165359735 QWKGJHDKICVJBH-IBGZPJMESA-N 309.563 6.190 30 10 DKEE CCSc1cccc(N[C@H](C)c2cccc(Cl)c2)c1C#N 167582738 WFSNUMJCNJEJCP-GFCCVEGCSA-N 316.857 5.497 30 10 DKEE CCCCCCCC[C@@H]1CCC(C)(C)[C@]1(S)c1ccccc1 205463078 FORANBFRCHPDFY-CTNGQTDRSA-N 318.570 6.999 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)c1ccoc1 257435410 HJODEDKXJPYIBN-SOAMZJECSA-N 302.458 5.502 30 10 DKEE biogenic C=CCCCCCCN[C@@H](C)c1cc(Br)cs1 310229861 PSODFSOYLWPCGP-LBPRGKRZSA-N 316.308 5.298 30 10 DKEE CCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698442742 GNMRETQRCBSJQS-IBGZPJMESA-N 316.445 5.291 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(Br)c1 709384389 IDLJPUWYZPUEPH-VBQJREDUSA-N 322.290 5.235 30 10 DKEE C=C1CCC(CC(=O)c2ccc(Br)cc2C)CC1 724578270 BKXGZVWTPCSWCU-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE FC(F)c1cc(C(F)(F)F)c2c(C(F)(F)F)csc2c1 725324677 PCVLPKJGNDIQNV-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE N#Cc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 953069070 KFGIYMBHEWUJKN-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE Cc1ccc(C#Cc2cc(Cl)ccc2Br)cc1C 1614824862 DPPTYUVQKFDFEN-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CCCCCCCCCCn1ccc(=O)c(OCC(C)C)c1 1860774618 HHZNAUQPGAUOHT-UHFFFAOYSA-N 307.478 5.024 30 10 DKEE CC[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871422194 ZJTWETZETLERAP-YQNUULROSA-N 322.404 5.097 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1ccc2c(c1)CCCC2 1874571954 OXRPCJJLMLZYNL-BUHFOSPRSA-N 320.432 5.250 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 1874612378 RFEHTDVUVGAKGF-DHZHZOJOSA-N 312.796 5.191 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 1893138431 FADPFZPLOKUFSN-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=CC1(CNc2cc(F)c(Br)c(Cl)c2)CCC1 2002639408 PUQNPHYKNACOIU-UHFFFAOYSA-N 318.617 5.010 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Br)sn1 2007643833 IJPWMWVAUXIPJL-LBPRGKRZSA-N 320.296 5.080 30 10 DKEE C=CC1(C[C@@H](O)c2c(Cl)ccc(Cl)c2Cl)CCC1 2049039319 DRMINGZGYNLLTO-LLVKDONJSA-N 305.632 5.427 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(Cl)sc2Cl)C1 2074835305 OJMXLYOXIYUFMH-CQSZACIVSA-N 302.270 5.708 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(F)cc(Br)c1 2085913822 FZQRAWTYBMBRTP-OAHLLOKOSA-N 315.226 5.148 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1cccc(Br)c1 2085915994 IIWIWRAOIGSGOY-MRXNPFEDSA-N 311.263 5.183 30 10 DKEE C=CCCCCCC[C@H](Cc1cccc(Br)c1)NC 2141914828 VRAMQUJNDPYNDX-QGZVFWFLSA-N 324.306 5.106 30 10 DKEE CCCCCCC[C@H](NCCC)c1nn(C)c(Cl)c1Cl 2150720649 PCEGEODMHJUAHV-LBPRGKRZSA-N 320.308 5.128 30 10 DKEE Cc1sc(Cl)cc1[C@H](O)C1(C#N)CCC(C(C)C)CC1 2154439113 GLZBPEUZHDYULD-NRAUKZCXSA-N 311.878 5.100 30 10 DKEE C=CCC[C@H](C)Oc1c(Cl)cc(Cl)cc1C[C@H](N)CC 2158325641 YCCBWSWUPAWHPV-SMDDNHRTSA-N 316.272 5.007 30 10 DKEE C=C([C@@H](NCCC)c1c(F)ccc(F)c1Cl)[Si](C)(C)C 2164221051 DVSQXVQFZYMLHH-OAHLLOKOSA-N 317.883 5.093 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)c(F)cc1F 2179367236 MMRWPTPNAUIYFD-MRXNPFEDSA-N 303.824 5.629 30 10 DKEE C#CC[C@H](C[C@@](O)(CC)c1ccc(Cl)c(Cl)c1)C1CC1 2196732386 PZJJIPVGHSNYTN-DYVFJYSZSA-N 311.252 5.031 30 10 DKEE CCCCCCCCCC[C@@H](NC)C1(P(C)(C)=O)CC1 2204451645 KTAQGRFMYODUQK-MRXNPFEDSA-N 301.455 5.261 30 10 DKEE C=CCCCC[C@H](NCC)c1ccc(-c2cccs2)s1 2205876220 FLXUKZHCNHJLSM-AWEZNQCLSA-N 305.512 5.874 30 10 DKEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)s1 2234289706 LPKYPCIXJRGIRI-ZDUSSCGKSA-N 324.232 5.162 30 10 DKEE C=C(C)CCCC[C@@H](N)c1sc(CC)cc1Br 2250131177 GXAHVXQPQKXTQN-CYBMUJFWSA-N 316.308 5.209 30 10 DKEE CC(C)(C)C#CC=CCNc1c(Cl)cc(Cl)cc1Cl 2268822714 JBDPCJOIPSZFAL-UHFFFAOYSA-N 316.659 5.664 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286473827 NQVRZUOLHKVXFO-SJCJKPOMSA-N 314.300 5.945 30 10 DKEE C=C(Cl)C[C@](C)(CCCCCCCC)OCCC(=O)O 2292723059 RNVUZYKMWVUMCG-INIZCTEOSA-N 304.858 5.130 30 10 DKEE O=C1C(=Cc2ccccc2F)CCCC1=Cc1ccccc1F 2296887568 WIDDWATUDMOWCU-UHFFFAOYSA-N 310.343 5.185 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(C)cc(Br)c1 2321105915 UIECKMCSLRGEKF-HOTGVXAUSA-N 310.279 5.010 30 10 DKEE C#CCCCCCCNCc1c(Cl)ccc(Cl)c1Cl 2338796710 UTSWDCWXOGSXGM-UHFFFAOYSA-N 318.675 5.320 30 10 DKEE C#CCCCCC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2377324998 ASZOXVOMRIYEKN-INIZCTEOSA-N 316.247 5.367 30 10 DKEE Clc1ccc(Cl)c(/N=C2\NC[C@@H](c3ccccc3)S2)c1 35294306 JQNOBWKDUFKNFM-AWEZNQCLSA-N 323.248 5.059 30 10 DKEE COc1cc(CCC#N)ccc1OCc1ccc(C(C)(C)C)cc1 62169870 IWGFJQCRCUOGKG-UHFFFAOYSA-N 323.436 5.028 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Nc2ccccc2Br)CC1 86914237 XTAXBUCSFNVRQY-CZUORRHYSA-N 321.262 5.114 30 10 DKEE CC/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCCCCCCCCC 104899454 HQCGSJRACGWHOF-AEULXZPHSA-N 306.534 6.977 30 10 DKEE biogenic CCCCCCCCCCCC[C@H](N)c1ccc(Cl)cc1 109717202 SLTVBZMDBLIHIT-IBGZPJMESA-N 309.925 6.651 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 110354784 KLTKTUPWOZJSSY-JKIFEVAISA-N 321.917 6.177 30 10 DKEE CCCCCCCCCCC[C@@H](Cc1cccs1)NCC 115858450 WXQQDBMSVMTPAZ-SFHVURJKSA-N 309.563 6.190 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1snnc1C(C)C 139478883 IBHQFEACLTVIDH-OAHLLOKOSA-N 311.539 5.453 30 10 DKEE CCCCCCCCCC[C@H](NCCC)c1csc(C)n1 143411666 UOMMSXFPBXOWIK-KRWDZBQOSA-N 310.551 6.023 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(Br)c(Cl)c1 148631213 QDFDTWWTFQGDPM-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCCCCCCC[C@@H](N)Cc1ccc(Br)s1 160777906 FFEFVAXKDYLZBD-GFCCVEGCSA-N 318.324 5.131 30 10 DKEE CCCCCCCCCCc1cc(Cl)c2cccnc2c1O 196182755 SPKGZGHQSSLBBM-UHFFFAOYSA-N 319.876 6.277 30 10 DKEE CCCCCCCOc1ccc(/C=N/c2ccc(F)cc2)cc1 205036825 MNIGJGZCKHQKGY-CJLVFECKSA-N 313.416 5.926 30 10 DKEE Oc1ccc2ccccc2c1C=Nc1ccccc1C(F)(F)F 254415761 XQLWZDOEANVJBM-UHFFFAOYSA-N 315.294 5.315 30 10 DKEE CSc1cccc(Nc2cc(C)c(F)cc2Cl)c1C#N 312746424 KCLWYDYJGIVRGA-UHFFFAOYSA-N 306.793 5.125 30 10 DKEE Cc1ccc(C[C@]2(C#N)CCCC[C@H]2C)cc1Br 314632234 QXKNPXQKYOTVCO-CJNGLKHVSA-N 306.247 5.020 30 10 DKEE CCCC(CS)(CCC)CN(C)CC(C)(C)C(C)(F)F 697310549 JXYNKRFVKQALHS-UHFFFAOYSA-N 309.510 5.116 30 10 DKEE CC(C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698854088 CSCWDFRNARAFBR-OAHLLOKOSA-N 322.836 5.020 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@H](C#N)CCC1CC1 698870756 XMHKZFOXMVOEFD-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(Cl)c1F 1893126071 UJFWLEMPYBSVHD-ONGXEEELSA-N 301.192 5.017 30 10 DKEE C=CCCN(CCCCCCCNC(C)C)Cc1ccccc1 1900663203 FWQGMZLNTFVNIE-UHFFFAOYSA-N 316.533 5.013 30 10 DKEE C[C@H]1CCC[C@@]1(C#N)Cc1sc(Cl)cc1Br 1903678852 NNHNUZOERVXYLC-UFBFGSQYSA-N 318.667 5.036 30 10 DKEE Cc1cc(CN(Cc2ccccc2)[C@@H](C)C(C)(C)C)ccc1C#N 1947915790 JRXMFMJGZRPLOR-SFHVURJKSA-N 320.480 5.304 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(Br)ccc2Cl)CC1 2010608471 JCRZZSFSWIZTET-VIFPVBQESA-N 313.622 5.032 30 10 DKEE CCCCCCCCCCN[C@@H]1CCC=C1Br 2020059703 QDNWUVTZRPKIBC-OAHLLOKOSA-N 302.300 5.158 30 10 DKEE CC=C(C)C(=O)c1ccc(-c2ccccc2Br)s1 2056775895 JIQZYNWILQUMGJ-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE CCCCCCCCCCNCc1cc(C)c(Cl)s1 2109137018 DPWMQOUWQYJIQA-UHFFFAOYSA-N 301.927 5.940 30 10 DKEE C=CC1(C[C@](C)(O)c2cc(F)c(Cl)cc2Cl)CCC1 2111722822 QDRCLYNJJFOOHF-AWEZNQCLSA-N 303.204 5.086 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2csc(Cl)c2)CC1 2154438442 BDIYVIPTWXMMFD-UGWHAMFMSA-N 311.878 5.181 30 10 DKEE CCCC(CS)(CCC)CN(C)C1CCC(C)(F)CC1 2174189007 RCZLSFCAYBOEET-UHFFFAOYSA-N 303.531 5.105 30 10 DKEE C=C([C@@H](NC)c1ccc(C(F)(F)F)cc1Cl)C(C)(C)C 2179251865 IURGTAYZMSWAFP-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE N#CC1(Cc2cscc2C(F)(F)F)CCC(F)(F)CC1 2184887065 ACILZMSSANEFGY-UHFFFAOYSA-N 309.303 5.029 30 10 DKEE C=C[C@@H](CC)OCc1c(Br)sc2ccccc12 2216977486 NUHKTABFDHOAEC-JTQLQIEISA-N 311.244 5.145 30 10 DKEE C=CCCCCCNc1c(C)cc(F)cc1Br 2217147227 HWIZQVMHZUVRHH-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE CCCCCC[C@H](C)Nc1c(Br)cccc1C#N 2257482264 PQCAARULNBXKGH-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1C(C)=O 2287077351 WDAKMNJWOWMWJI-UHFFFAOYSA-N 310.890 6.161 30 10 DKEE C=CCC[C@@H](C)[C@@H](OCCCN)c1ccc(Cl)cc1Cl 2294231282 PQAGPJYPNAASRM-MLGOLLRUSA-N 316.272 5.002 30 10 DKEE CC(C)Sc1ccc(C(=O)C=Cc2ccc(Cl)cc2)cc1 2295967904 JOFCRFPSPSWVJM-UHFFFAOYSA-N 316.853 5.737 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCC)c1ccc(Cl)cc1Cl 2335103192 IICKYYJEWZSPIR-IAQYHMDHSA-N 318.313 5.342 30 10 DKEE C[C@H]1C[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)CCS1 2349797522 QPAWIDPWDWCXNG-XPTSAGLGSA-N 318.244 5.100 30 10 DKEE CCCCCCCCCCCC[C@@H](CC1(C)OCCO1)NC 2353325961 QFSWDSDPWNMDNB-SFHVURJKSA-N 313.526 5.039 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1cc(F)c(Cl)cc1Cl 2377397424 AXQVFEBLJARKNB-RYUDHWBXSA-N 318.263 5.255 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1Cl 37277904 VYNKHTOBAKGAAP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1cc(/C=N/c2ccc(F)c(Cl)c2)ccc1N1CCCC1 59104517 GIRBNBKLPMFADE-CIAFOILYSA-N 316.807 5.138 30 10 DKEE CCCCCCCNC[C@@H](C)c1ccc2cc(OC)ccc2c1 100156836 VBPUTSHKLKWHBQ-QGZVFWFLSA-N 313.485 5.512 30 10 DKEE N#C[C@H]1CCCC[C@H]1Nc1c(Cl)cc(Cl)cc1Cl 110161747 PFWZCPWENOAZPL-PRHODGIISA-N 303.620 5.141 30 10 DKEE CCCCCCCCCCC[C@H](NCCC)c1cccs1 115856805 UHIVQTXKVXNSCQ-SFHVURJKSA-N 309.563 6.710 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(Cl)c(Br)c1 160939645 HJEWLNNZEBFNFA-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CC(C)(C#N)CCCCOc1cc(Cl)c(Cl)cc1Cl 232518807 KBAIEIWSQSTGAZ-UHFFFAOYSA-N 320.647 5.746 30 10 DKEE CCCCCCC#CN(C(=O)OC(C)(C)C)c1ccccc1 238192940 DVTKKPBQDIXRJT-UHFFFAOYSA-N 301.430 5.359 30 10 DKEE CCCCCCCCSCC[C@@H](C)NC(=O)OC(C)(C)C 238217893 QACQWYWCTSDFPZ-OAHLLOKOSA-N 317.539 5.383 30 10 DKEE CC(C)CC(=O)Nc1ccc(N=Cc2ccc(C(C)C)cc2)cc1 252642961 ZRZXLFBBBFUNAT-UHFFFAOYSA-N 322.452 5.545 30 10 DKEE C(\Nc1ccccc1)=C1\C(=Nc2ccccc2)Oc2ccccc21 254300817 PIVAFHFXTBFQQP-UBBPSZGVSA-N 312.372 5.262 30 10 DKEE CC(C)c1ccccc1N=Cc1cc(Br)ccc1O 254627816 FJUSJOATGVIQLS-UHFFFAOYSA-N 318.214 5.029 30 10 DKEE Cc1ccc(N=Cc2ccc(F)cc2)c(C(=O)c2ccccc2)c1 254742215 NHIBFAYFTVGGGS-UHFFFAOYSA-N 317.363 5.116 30 10 DKEE CCCCCCCCCCNc1cnn(Cc2ccccc2)c1 304060871 ZLTMUWJOLMTONM-UHFFFAOYSA-N 313.489 5.484 30 10 DKEE N#Cc1cc(F)cc(CSc2cc(Cl)cc(Cl)c2)c1 311938848 FXLRRSBTWWWYFC-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE Cc1c(Cl)cc(NC[C@@H](C#N)C2CCCCC2)cc1Cl 690288795 RQFZFTYHRLTRDN-CYBMUJFWSA-N 311.256 5.434 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2c(Cl)cccc21 692191125 NVFGWHUHNVUUNB-YPMHNXCESA-N 306.862 5.286 30 10 DKEE C=CCCSCCN[C@H](CC)c1ccc(Cl)cc1Cl 710140774 MPZAZVZRZMMBAH-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)CC1(C#N)CCCC1 1915396288 BDCWMNYEKPPLOU-KRWDZBQOSA-N 324.493 5.395 30 10 DKEE N#CC1(CSc2cccc(Br)c2)CCCCC1 2001549701 BWFLYDGOARPMLN-UHFFFAOYSA-N 310.260 5.015 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccc(Br)cc1C 2059111914 OXQJKJSLUPUPPJ-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=CC[C@](C)(NCc1cc(Cl)sc1Cl)C(F)(F)F 2061759959 INNGQQZZPDKKRT-JTQLQIEISA-N 318.191 5.042 30 10 DKEE CCc1cc(Br)ccc1NCC#CC1CCCCC1 2093450065 IKSPSEMBPFQHOB-UHFFFAOYSA-N 320.274 5.007 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1cc(Cl)c(Cl)s1 2098757283 HXSZLBNZHPFFLQ-YPMHNXCESA-N 324.317 5.166 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(C(F)F)cs1 2161345258 KLDGXMFWSIDDBY-CYBMUJFWSA-N 304.450 5.331 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1cc(Cl)ns1 2167195733 IVIBXOSUQIYFSD-CQSZACIVSA-N 317.926 6.141 30 10 DKEE C=C[C@@H](CCCCC)O[C@H](C)C(=O)c1ccc(Cl)s1 2231095605 QNLIYJHCQSLUKY-NEPJUHHUSA-N 300.851 5.124 30 10 DKEE CC(C)(C)C#C[C@H](O)c1ccc(-c2ccccc2Cl)s1 2233921325 NZPSAQRCCWRWFT-AWEZNQCLSA-N 304.842 5.151 30 10 DKEE C=CCCCCCCCC(=O)Cc1cc(Cl)cc(Cl)c1 2235535932 RMGTVDCTGZXZHG-UHFFFAOYSA-N 313.268 6.022 30 10 DKEE CCCCCCCCCOC(=O)c1cc(S)ccc1Cl 2239501000 KXHOYGNYWSJTON-UHFFFAOYSA-N 314.878 5.536 30 10 DKEE C=CCN(Cc1ccccc1)Cc1c(C)c(C)c(C)c(C)c1C 2245877838 XFAPBEPFZSPZIG-UHFFFAOYSA-N 307.481 5.417 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(C)c(Br)c(C)c1 2259235243 MJDZIZDSGPDWNF-OAHLLOKOSA-N 311.263 5.236 30 10 DKEE N#CC1(c2ccc(F)cc2Br)CCCCCCC1 2263166958 NSXQMRHFHIPRLG-UHFFFAOYSA-N 310.210 5.094 30 10 DKEE N#Cc1cccc(F)c1Nc1cc(Cl)c(F)c(Cl)c1F 2280485131 RYNFVRKGEYVEEC-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=C(C)CCCCOc1c(Cl)cc(C[C@H](C)N)cc1Cl 2296272923 MTGLCECEGCVUMB-LBPRGKRZSA-N 316.272 5.008 30 10 DKEE C[C@H]1CCC(=NNc2nc(-c3ccc(Cl)cc3)cs2)C1 2297719227 FDFJAFXMIJWFOL-JTQLQIEISA-N 305.834 5.051 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(Br)s1 2304059047 MAYQUDJFSOJCRB-ZDUSSCGKSA-N 316.308 5.154 30 10 DKEE CC(=NOCc1cc(Cl)ccc1F)c1ccc(Cl)cc1 2330456944 UWMNNGVBTUVTHK-UHFFFAOYSA-N 312.171 5.073 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)c(Br)cc1C 2344358761 WLAIGJNGCPVBSC-SJKOYZFVSA-N 324.306 5.319 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cc(Cl)cc(F)c1Cl 2370539943 JWTNJMJCJJFSMB-HNNXBMFYSA-N 318.263 5.776 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 50039254 RALPHCYYBOQQRK-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE CCOc1ccc([C@@H](C#N)Cc2cccc3ccccc23)cc1 57739219 PKDZLWXEZMHUMC-LJQANCHMSA-N 301.389 5.088 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)cc2)c1 59481252 GVCROBZZIPJIDW-UHFFFAOYSA-N 308.425 5.085 30 10 DKEE COc1cc(C)c(Cl)c(C)c1-c1cc(CC#N)c(C)s1 77095374 XSJCPHYXTSJAQZ-UHFFFAOYSA-N 305.830 5.068 30 10 DKEE Cc1ccc(SCc2nc(C3CC3)c(CS)s2)cc1 82436047 MPVXCIAZNKRZMY-UHFFFAOYSA-N 307.509 5.051 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(C(F)(F)F)cc1)NC 113083468 WKCSSCBSAZQLKM-INIZCTEOSA-N 301.396 5.196 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Br)ccc1F 114874395 DCAYJIPSKXRQGH-OAHLLOKOSA-N 317.242 5.372 30 10 DKEE CCCCCCCCCOc1c(C)cc(C(N)=S)cc1C 115886507 GYBLSBWLTAOWOV-UHFFFAOYSA-N 307.503 5.067 30 10 DKEE CCCCCCC[C@@H](CSc1cccc(C)c1)NCCC 117422887 RCGPWMDNGMQPAJ-SFHVURJKSA-N 307.547 5.816 30 10 DKEE CCCCCCCCCCC[C@@H](CCc1cccs1)NN 123245662 CQXBNKQWDQZVBZ-KRWDZBQOSA-N 310.551 5.434 30 10 DKEE Cc1cc(C#N)cc(Oc2cc(Cl)c(Cl)cc2Cl)n1 161145764 WTENYBCHLNAFPD-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE Cc1cc(C#N)ccc1Oc1cc(Cl)c(Cl)cc1Cl 203441709 FXIMYQQDKKGFOK-UHFFFAOYSA-N 312.583 5.619 30 10 DKEE FC(F)(F)c1ccc(Cl)cc1N=Cc1ccc(Cl)cc1 254412322 RXJKCDCZRHJSAO-UHFFFAOYSA-N 318.125 5.763 30 10 DKEE C=CCCC[C@H](C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 398185467 PQFWGONAEMBQAR-WDEREUQCSA-N 304.236 5.528 30 10 DKEE N#Cc1c(F)c(F)c(-c2c(Cl)cccc2Cl)c(F)c1F 514260884 VVGSGQICEDVXES-UHFFFAOYSA-N 320.072 5.088 30 10 DKEE C#CCCCCC[C@H](NC)c1ccccc1OCc1ccccc1 686690356 SZXLCXXIQIOACT-NRFANRHFSA-N 321.464 5.110 30 10 DKEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698456814 JDIIBPQHZRIYLT-GOSISDBHSA-N 308.466 5.029 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(C)c(Br)s1 715720679 PFPKHBSCTUUMCF-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE CCCCCCC[C@@H](O)c1cccc(Cl)c1Br 719697238 OHTSBVGBOBMZKH-CYBMUJFWSA-N 319.670 5.496 30 10 DKEE C/C(=N\OCc1cc(Cl)ccc1F)c1cccc(Cl)c1 1857937799 KTKHVJMOGHCROX-VXLYETTFSA-N 312.171 5.073 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 1893138430 FADPFZPLOKUFSN-LRDDRELGSA-N 300.273 5.116 30 10 DKEE C=CCC(CC=C)Nc1cc(Cl)ccc1Br 1900967514 LFGVOLLWFLMPRV-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE CCCCCCC[S@](=N)(=O)c1ccc(Cl)c(Cl)c1 1917889105 PCPKIBNZIOYUHG-SFHVURJKSA-N 308.274 5.369 30 10 DKEE CCCCCCCCC[C@](C)(N)c1ccc(Cl)cc1Cl 1920487465 UJHFQUIPMAIBEO-KRWDZBQOSA-N 316.316 6.308 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CC1CCCCCC1)NCC 1922072950 ZFTUZESUJSLWLN-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@](C)(C#N)C1CCC(CC)CC1 1980227069 OQSRYNMUHJWJED-LADRWXRNSA-N 322.493 5.132 30 10 DKEE C=C(C)CN(Cc1ccccc1)CC1CC2(C1)CC1(CCC1)C2 1994243425 QAMOTQNUSSEPGL-UHFFFAOYSA-N 309.497 5.425 30 10 DKEE C=C(C)CN(CCCOc1cc(C)ccc1C)Cc1ccccc1 2019346064 KQHXZOATLGSAMJ-UHFFFAOYSA-N 323.480 5.151 30 10 DKEE CCCCCCCCC[C@H](O)C(=O)c1csc(Cl)c1 2098163517 ZKJLOQCTAAZOGX-ZDUSSCGKSA-N 302.867 5.086 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C=O)CCCCC12CC2 2117056431 VOJDDQATOYDAQB-SUMWQHHRSA-N 321.258 5.092 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H](O)c1csc(Cl)c1 2154422059 LNVRXWVNBBBOJK-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE CCCC[C@](C#N)(CC)[C@@](C)(O)c1c(Cl)cccc1Cl 2164481129 BDQDAQGGPANAOZ-HOTGVXAUSA-N 314.256 5.311 30 10 DKEE C=CC1(C[C@H](N)c2ccc(C(F)(F)F)c(Cl)c2)CCC1 2168031827 UEJHTPLTNMTBPH-ZDUSSCGKSA-N 303.755 5.105 30 10 DKEE SCC1(CN2CCCC[C@H]2c2cccs2)CCCCC1 2171828884 RILMNBJUHKTOOM-HNNXBMFYSA-N 309.544 5.155 30 10 DKEE CN[C@H](CC#C[Si](C)(C)C)c1cc(-c2cccs2)cs1 2187476649 ODGIYLLFHZVIKK-CQSZACIVSA-N 319.571 5.008 30 10 DKEE CCCCC#CC[C@H](NCCC)c1c(Cl)cncc1Cl 2203809119 CPZGSNODTLCSGE-HNNXBMFYSA-N 313.272 5.013 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(-c2cccs2)s1 2205873045 DXCSAKJPGWYSAS-CXAGYDPISA-N 305.512 5.730 30 10 DKEE C=CCCCCCCCCC(=O)[C@H](O)c1cc(Cl)cs1 2207383018 YKBDBKRNIZBRMX-INIZCTEOSA-N 314.878 5.311 30 10 DKEE CCCCCCCCCCCCOCC1(CS)CCC1 2239503466 WHZGKHKRVREPKC-UHFFFAOYSA-N 300.552 6.024 30 10 DKEE CC(C)(C)C(Nc1cc(Br)ccc1C#N)C(C)(C)C 2266824159 NSZKGGHLVQSVDY-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE CCCCCCCCC[C@H](O)c1c(C)nn(CC)c1Cl 2281390069 YTHWGYMZWYZIBS-AWEZNQCLSA-N 300.874 5.039 30 10 DKEE CCCCCCCCCCCOCCCCCCCS 2294697855 UCKGKSWTZQJXAC-UHFFFAOYSA-N 302.568 6.414 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1sc(Cl)cc1OC 2295735787 FNKXUKMBHDKUEI-MRXNPFEDSA-N 317.926 5.725 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1c(Cl)cccc1Br 2304032273 HAEPVINFIIHYEH-KBPBESRZSA-N 316.670 5.095 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1cccc(Cl)c1 2322524903 XIYCSVASCSZUFS-UHFFFAOYSA-N 322.791 5.398 30 10 DKEE C=CCC(CC=C)C[C@@H](NCC)c1ccc(Br)cc1 2338743753 IOOIVRGTEALGJD-QGZVFWFLSA-N 322.290 5.258 30 10 DKEE C/C(=N/Nc1ccccc1C(F)(F)F)c1cccc(Cl)c1 35772124 DXRMQHVNUNDYHT-JMIUGGIZSA-N 312.722 5.195 30 10 DKEE C=CCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 71277008 IOFTUQXGUUQSSW-CQSZACIVSA-N 300.273 5.260 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1ccc(Oc2ccccc2)cc1 83193375 PCOONFLVXOBXIQ-VAWYXSNFSA-N 320.413 5.745 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Nc2ccc(Br)cc2)CC1 86914089 WOSACSOZZYHSHV-CZUORRHYSA-N 321.262 5.114 30 10 DKEE CCCCCCCCCCCCCC(=O)c1cc(C)cc(C)c1 101473215 BXNJAINLKWVDAN-UHFFFAOYSA-N 316.529 7.187 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NC 103933912 YJYRZMFOFAJBDK-HNNXBMFYSA-N 302.289 5.484 30 10 DKEE N#Cc1c(Cl)cccc1Nc1ccccc1SC(F)F 110252027 RCDQGLKMTWJXML-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CCCCCCCCC[C@@H](O)c1cscc1Br 130899640 ZLKYIAJHAIJERA-CQSZACIVSA-N 319.308 5.685 30 10 DKEE Cc1cc(F)cc(-c2sc(C#N)c(N)c2-c2cccs2)c1 136953622 IAUXCEVBZHQOJK-UHFFFAOYSA-N 314.410 5.045 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H]1CCCc2sccc21 139607299 IJBVIAKLYOWLOM-FUHWJXTLSA-N 307.547 5.897 30 10 DKEE N#Cc1ccc(OCc2cccc(Cl)c2Cl)cc1Cl 228814450 UAWGCVWUBCZYAW-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE N#C[C@H](CSc1ccc(Cl)cc1Cl)C1CCCCC1 397196151 NLVDOJAUCOVMJM-GFCCVEGCSA-N 314.281 5.806 30 10 DKEE C=CCCC[C@H](C)N[C@@H](Cc1cccs1)c1cccs1 398055350 DKIHVIKWCIIRPJ-HOCLYGCPSA-N 305.512 5.428 30 10 DKEE C=CC[C@@H](C)[C@@H](NC)c1ccc2cc(Br)ccc2c1 715829310 KJNHCMVHAWFRQZ-SJKOYZFVSA-N 318.258 5.075 30 10 DKEE CCCCCCCCCCCCN(C)C[C@H]1C[C@H]2CC[C@H]1C2 1613879124 IQQDQGSRJVFSCU-PCCBWWKXSA-N 307.566 6.275 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCCCCCCC)NC 1922059129 DMRBLDVURKPBCD-HXUWFJFHSA-N 303.490 5.098 30 10 DKEE CCC[C@@H](CS)CN(Cc1ccccc1)CC1CCCC1 1931881049 CBDOFFLIRQOMFI-LJQANCHMSA-N 305.531 5.025 30 10 DKEE C=CC1(CCc2cc(Cl)c(C)c(Br)c2)CCC1 2002620781 RFMPSTIPPDLXBB-UHFFFAOYSA-N 313.666 5.700 30 10 DKEE Cc1cccc(C#N)c1Oc1cccc(Br)c1Cl 2040197262 VVWAFZSHPHHDMI-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1Cl 2081440880 LRVBUQGIHCSONV-AWEZNQCLSA-N 308.680 6.007 30 10 DKEE CCCC1CCC(C#N)(C[C@@]2(Br)CC2(F)F)CC1 2082494052 PIRBXZHMOLYZPL-WXRRBKDZSA-N 320.221 5.049 30 10 DKEE N#C[C@@H](c1ccc(Br)cc1)[C@@H]1CCC2(CCCC2)C1 2098997257 DKBGHAUDJOJOCG-ZBFHGGJFSA-N 318.258 5.417 30 10 DKEE N#CC1(Cc2ccc(Cl)cc2Cl)CCC(F)(F)CC1 2128467158 NRMIJCDZZHSSBS-UHFFFAOYSA-N 304.167 5.255 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1scnc1Cl 2141911608 QZUAMGSXFOZDHR-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE C[C@H]1CCCC[C@@]1(C#N)Cc1csc(-c2ccsc2)n1 2144694339 HLSVAJOHXOEXGM-LRDDRELGSA-N 302.468 5.134 30 10 DKEE CCCCCCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 2146766522 YLDANFZEDXXZGR-UHFFFAOYSA-N 306.755 5.902 30 10 DKEE CCCCCCCOc1nc(Cl)c(CNC(C)(C)C)s1 2155331731 CADLMQVBWDBMQH-UHFFFAOYSA-N 318.914 5.034 30 10 DKEE CCc1nc(Sc2cc(Cl)cc(Cl)c2)c(C#N)cc1C 2155474344 NKTACPDGZWCJKD-UHFFFAOYSA-N 323.248 5.282 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 2181264064 UMOIYLMLEPTDNQ-VIFPVBQESA-N 302.723 5.288 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(F)c1F 2184418379 XBNBUOQBKKZMRW-UHFFFAOYSA-N 318.081 5.075 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1c(Cl)cncc1Cl 2206889704 CMUUMNWUOUFSON-OAHLLOKOSA-N 315.288 5.566 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1ncc(SC)s1 2207435625 JPVFJUYYQWJYGL-AWEZNQCLSA-N 313.532 5.595 30 10 DKEE C=CCCCCCCCC(=O)c1cc(C)ccc1Br 2227273781 SQOHXXSMIZENSR-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235756996 NQYBNKJQQVAJEB-LLVKDONJSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCCCCCCOC(=O)[C@H](C)S 2239492930 ODMDXJLXJGCANS-INIZCTEOSA-N 302.524 5.549 30 10 DKEE C=C(C)CCCC[C@H](N)c1c(Cl)cccc1C(F)(F)F 2287414147 OCLYBKBUSMEIRM-ZDUSSCGKSA-N 305.771 5.495 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ncc(C(F)F)s1 2295592393 QKUCWQKKOQPFTC-HNNXBMFYSA-N 305.434 5.429 30 10 DKEE O=[N+]([O-])c1cccc(C=N[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)c1 2297451855 PLBLXJMHUYUZIW-VDGAXYAQSA-N 324.424 5.073 30 10 DKEE C=CC[C@H]1CCC[C@H]1NCc1ccc(OCc2ccccc2)cc1 2300179356 RXQGARSKANOYBG-RBBKRZOGSA-N 321.464 5.100 30 10 DKEE CCCCCCCC[C@@](C)(Sc1cccs1)C(=O)O 2351866584 VLSSBILRLSVNDU-OAHLLOKOSA-N 300.489 5.434 30 10 DKEE CC1(C)C[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)CO1 2366899699 KQZSCZXEFYYILJ-INIZCTEOSA-N 312.240 5.025 30 10 DKEE Cc1cc(C)c([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)c(C)c1 14457676 GXXJBJRRCBHLIQ-SFGWALBWSA-N 314.432 5.310 30 10 DKEE CCc1ccc2c(c1)c(C#N)c(Cl)n2Cc1ccc(C)cc1 71465163 MZRZIEIORYTMQU-UHFFFAOYSA-N 308.812 5.086 30 10 DKEE Cc1ccc2c(c1)/C(=N/c1cccc3ccccc13)c1ccccc1-2 103818241 AJIFAQWTBKXJHD-OCOZRVBESA-N 319.407 6.298 30 10 DKEE CCCCCCCCCCC(=O)Nc1cccc(OC(C)=O)c1 105369590 GQGHTXMVAWDQGX-UHFFFAOYSA-N 319.445 5.081 30 10 DKEE N#Cc1cc(Cl)nc(Oc2ccc(Cl)c3ccccc23)c1 122569888 GERGWTSSBZMEGR-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CC[C@@H](Nc1cc(C#N)ccc1Cl)c1ccc(Cl)cc1 127791479 AJIREGDLORYNAP-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE Cc1cc(Cl)c(Nc2ccc(Cl)cc2C#N)cc1Cl 128271969 YWWIQMLWBPRPGN-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCC[C@H](NC)c1cc2c(s1)CCSC2 158966125 IJHKSXXRXCXNIY-HNNXBMFYSA-N 311.560 5.549 30 10 DKEE Cc1cc(Oc2ccc(C(F)(F)F)c(C#N)c2)ccc1Cl 164495830 ODZJRPYMDRWQTO-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCCCCCCCCC(=O)OCC[C@H](C)CCC=C(C)C 201233816 XQIVXZXBZSEVKC-LJQANCHMSA-N 310.522 6.443 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Br)ccc1Cl 229738218 BEVJQJLHNVSPLB-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CC[C@H]1CCC[C@@H](Nc2cc(Br)ccc2C#N)CC1 234067690 VRXAEYOETHENLF-SWLSCSKDSA-N 321.262 5.092 30 10 DKEE Cc1ccc(C(C)(C)C)c(Oc2nc(Cl)c(C#N)s2)c1 312497419 FGRLXXMIWOIYSN-UHFFFAOYSA-N 306.818 5.066 30 10 DKEE CC(C)(C)OC(=O)N=Cc1cc(Cl)cc(Cl)c1Cl 382641946 XNMORTZKXQVRHP-UHFFFAOYSA-N 308.592 5.001 30 10 DKEE C[C@H](C1CC1)N(Cc1ccccc1)C[C@H](C#N)C1CCCCC1 397456229 NBJIWBXQDKDLRO-UTKZUKDTSA-N 310.485 5.007 30 10 DKEE CCCCCCCCCCCCC(=O)c1cscc1Cl 711561307 DMHNYLNBTYBGKM-UHFFFAOYSA-N 314.922 6.895 30 10 DKEE CCCCCCCN1CCCc2cc(Br)ccc21 713324842 QHOYRIAHYRPSOQ-UHFFFAOYSA-N 310.279 5.172 30 10 DKEE CCCCCCCC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 722109202 IEYBGEHMUPKUQW-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE CC/C(=N\OCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 821218564 YFVYWXQGXIRGBY-LVZFUZTISA-N 322.235 5.633 30 10 DKEE CC(C)(C)Sc1ccccc1/C=C/C(=O)c1cccs1 1088695848 WQUYNXSOFDCNEO-ZHACJKMWSA-N 302.464 5.535 30 10 DKEE C=C[C@H]1CCCCN1CCSc1cc(Cl)ccc1Cl 1884135244 YKFCNOSYFJHMHR-ZDUSSCGKSA-N 316.297 5.126 30 10 DKEE C=CCCC[C@@H](O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925606831 UWXNSQZARMCQLJ-MRXNPFEDSA-N 319.445 5.040 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(Br)sc1C 1946683265 QBGAGMGPGLPFRS-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1cc(C#N)ccc1F)C(C)(C)C 1946838853 GITDBXORWVQWMV-INIZCTEOSA-N 324.443 5.134 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(C)sc1Br 1951118420 NGWJSXWJEFKEAX-CYBMUJFWSA-N 318.324 5.569 30 10 DKEE C=CCCCCC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1984509711 CZSHOSUPAXVWFL-UHFFFAOYSA-N 317.429 5.271 30 10 DKEE C=CCCCCCCC(=O)c1cc(F)cc(Br)c1 2085850529 WNSKMPCCGBOTNT-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(F)ccc2Br)C1 2112240204 PMTANGSVEAUFQB-INIZCTEOSA-N 324.237 5.241 30 10 DKEE C=CCCCC[C@H](O)c1ccc2cc(Br)ccc2c1 2123117985 PFRHSHNSRRAFPG-KRWDZBQOSA-N 319.242 5.382 30 10 DKEE CCCC#CCC[C@H](NCCC)c1ccccc1Br 2138985258 DTLMOSZMUCBFSS-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=C([C@H](N)c1ccc(-c2ccc(Cl)cc2)s1)[Si](C)(C)C 2164008536 IVKMSIPODKSVHI-INIZCTEOSA-N 321.949 5.502 30 10 DKEE c1cc(N=C2N[C@@H](c3ccsc3)CS2)c2sccc2c1 2175634895 VULWNANZETWQAA-CYBMUJFWSA-N 316.476 5.028 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ncc(Cl)cc1Cl 2227268890 UBXXNIHOWYSUBY-CQSZACIVSA-N 301.261 5.305 30 10 DKEE C=CCCCCCCCN1CCc2cccc(Br)c21 2227274785 XJZWBBLDLIYSBN-UHFFFAOYSA-N 322.290 5.338 30 10 DKEE C=CCCCCC[C@@H](Cc1cccc(Cl)c1Cl)NC 2227508757 NZKCFFGOPHFMAP-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE C=CCCCCCCC[C@](C)(O)c1cccc(Cl)c1Cl 2235533105 RAHKGOUZXRXDLP-KRWDZBQOSA-N 315.284 6.118 30 10 DKEE CC1(C)CCC[C@@H](Nc2c(Br)cccc2C#N)CC1 2269699366 HLYNBBJFWPIPOZ-CYBMUJFWSA-N 321.262 5.092 30 10 DKEE CC(C)(Nc1c(Br)cccc1C#N)C1CCCCC1 2269740371 OVYZCKZPMDADQG-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@H](NC)c1csc(Cl)c1OC 2284288292 MGSHRNRRPGWHDX-AWEZNQCLSA-N 317.926 5.811 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1C 2286473459 GNXHPBILJZXKPA-KRWDZBQOSA-N 314.300 6.218 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1c(Cl)cccc1Cl 2292886617 XYNMZYJFGDYPQX-OAHLLOKOSA-N 316.272 5.146 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccccc1Br 2321115282 DTATYEKBYWSELC-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)c(C)c1 2322634521 WVYMWGAHNXMTIK-UHFFFAOYSA-N 320.363 5.192 30 10 DKEE CC(=NOCc1ccccc1Cl)c1ccc(OC(C)C)cc1 2330467560 RGDPQUPUWLLYCZ-UHFFFAOYSA-N 317.816 5.068 30 10 DKEE CCC(=O)Oc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1 2331491668 BNSPDBUIMOXJOT-UHFFFAOYSA-N 322.404 5.022 30 10 DKEE N#Cc1ccc(Nc2cc(C3CC3)ccc2Cl)cc1Cl 2363398421 BVJSLFIFNPMLGT-UHFFFAOYSA-N 303.192 5.486 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)c(Cl)c1C 2364011169 QTXYIRZMHIYJOE-CJNGLKHVSA-N 312.284 5.526 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1cccc(Cl)c1Cl)NCC 2370520849 DWGCZZPFHLKZFG-NVXWUHKLSA-N 314.300 5.506 30 10 DKEE CCOc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 33394358 DSSDTNJRWQHEEV-POHAHGRESA-N 321.203 5.288 30 10 DKEE O=C1/C(=C/c2ccc(Cl)cc2)CCc2c1[nH]c1ccccc21 83306768 DSCZYJKJXQTIBY-ACCUITESSA-N 307.780 5.034 30 10 DKEE N#Cc1ccc(Cl)cc1Sc1ccccc1Br 104180922 MRHJBSNTKXIMBW-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCC/C=C\CCCCCCCC1=NCCN1 111397702 VPROSGVVNDHJLC-KTKRTIGZSA-N 306.538 6.026 30 10 DKEE CCCCCCCC[C@@H](NCCC)C1CCC(F)(F)CC1 140376970 VVRZMIOVDCZIEO-QGZVFWFLSA-N 303.481 5.931 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H]1CCCc2sccc21 140461688 ACEZOFKUOJMZFU-SJLPKXTDSA-N 307.547 5.897 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc2c(s1)CCCC2 162276961 UJISLQIAFUCNFD-QGZVFWFLSA-N 307.547 6.158 30 10 DKEE CCCCCCCc1ccc(-c2nc3ccccc3s2)cc1 220666092 BCYDVSHWMZKQBI-UHFFFAOYSA-N 309.478 6.476 30 10 DKEE O=[N+]([O-])c1cccc(C=Nc2ccc(Nc3ccccc3)cc2)c1 252460391 DZCBYRPPMXRXFW-UHFFFAOYSA-N 317.348 5.089 30 10 DKEE CCCCCCCCCCCC(=NO)c1cc(OC)ccc1O 254764599 RINYJKOREIMPSC-UHFFFAOYSA-N 321.461 5.500 30 10 DKEE CCCCCCCCCC[C@H](O)c1coc(Br)c1 378987864 ZEXTXZPHHPZXGB-AWEZNQCLSA-N 317.267 5.606 30 10 DKEE C=CCCCCN[C@@H](c1cccs1)c1ccc(Cl)s1 389067601 VGPOWDLPROMKNM-HNNXBMFYSA-N 311.903 5.498 30 10 DKEE CC(C)SC1CCN(CCCCCCCCCS)CC1 394764946 BKQZKURTFUYGTJ-UHFFFAOYSA-N 317.608 5.253 30 10 DKEE C#C[C@@H](Nc1cc(Cl)c(Cl)c(Cl)c1)c1ccccc1 404315500 UVESEIOACRTUGN-CQSZACIVSA-N 310.611 5.433 30 10 DKEE CCCCCCC[S@@](=O)C(c1ccccc1)c1ccccc1 526899277 XNUPDWZUYFLJRD-JOCHJYFZSA-N 314.494 5.495 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 695072405 SGBGDAMFYWVSID-CQSZACIVSA-N 305.771 5.366 30 10 DKEE N#Cc1cc(Cl)ccc1N[C@H]1CCc2sc(Cl)cc21 695715290 ZAIBGPAFBRNFPX-LBPRGKRZSA-N 309.221 5.026 30 10 DKEE Cc1ccc(C=Nc2ccc(C(=O)c3ccccc3)cc2)s1 1084329671 ISTBRAMWONKSNY-UHFFFAOYSA-N 305.402 5.038 30 10 DKEE C=C([C@H](NCC)c1cc(Cl)ccc1Cl)[Si](C)(C)C 1922967472 GAPRQJLXIAIXOO-AWEZNQCLSA-N 302.321 5.078 30 10 DKEE C=C([C@@H](NC)c1ccc(C(F)(F)F)c(Cl)c1)[Si](C)(C)C 1923004892 OBPPLCHPIHXYEN-CYBMUJFWSA-N 321.846 5.053 30 10 DKEE N#CC1(CNc2cccc(OCc3ccccc3)c2)CCCCC1 2001541920 ZDFXSIPBIHRDFS-UHFFFAOYSA-N 320.436 5.152 30 10 DKEE C=CC[C@@H](NCCC)c1cc(Cl)c(C)c(Br)c1 2002243099 WJCSXNWTEPHHEB-CQSZACIVSA-N 316.670 5.028 30 10 DKEE CCCCC[C@](C#N)(CC)Nc1ccc(Br)cc1 2073343632 XVYRFLXFCZJROZ-HNNXBMFYSA-N 309.251 5.114 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1ccc(Br)o1 2086262506 WRZWTWWFYWXAKA-CYBMUJFWSA-N 315.251 5.382 30 10 DKEE C=CC1(C[C@H](NCCC)c2cc(Cl)c(Cl)s2)CCC1 2111720944 SRTWHSRSFNPJKK-LBPRGKRZSA-N 318.313 5.842 30 10 DKEE C=CC(C)(C)CCNCc1ccc(C(F)(F)F)c(Cl)c1 2164681288 JFGOJZZKKDVZDT-UHFFFAOYSA-N 305.771 5.051 30 10 DKEE CCCCCCCC[C@@H](O)C(=O)c1cc(Cl)ccc1Cl 2207444307 IJNDPGZNCUGOMU-OAHLLOKOSA-N 317.256 5.288 30 10 DKEE OC1(C#Cc2cc(Cl)c(Cl)c(Cl)c2)CCCCCC1 2224388512 NBVWUXSMHFWUEG-UHFFFAOYSA-N 317.643 5.084 30 10 DKEE C=CCCCCCCCCOCC(=O)c1ccc(Cl)s1 2234059413 VKGJBLOMCYMUII-UHFFFAOYSA-N 314.878 5.518 30 10 DKEE CCCCCCCCCCCOc1ncnc(Cl)c1F 2239559740 UECUNZQANGJAHQ-UHFFFAOYSA-N 302.821 5.179 30 10 DKEE CCCCCCCCC[C@H](NC)c1cocc1Br 2258146465 SWYSKVMLLCMSPP-HNNXBMFYSA-N 316.283 5.443 30 10 DKEE C=CCCCCCCCCC(=O)c1cocc1Br 2258148323 OXKHNOSGQZHQBZ-UHFFFAOYSA-N 313.235 5.532 30 10 DKEE SCCCCCCCOc1ccc(Cl)c2ccccc12 2294697973 FWAYZTOKOLBAML-UHFFFAOYSA-N 308.874 5.752 30 10 DKEE C=CCOc1cccc(C=CC(=O)c2c(C)cc(C)cc2C)c1 2323302834 FZCRPSDXDBPVCV-UHFFFAOYSA-N 306.405 5.073 30 10 DKEE Cc1cccc(C=C2Oc3cc(OCCC(C)C)ccc3C2=O)c1 2324635888 PRJUINMDMLHNSR-UHFFFAOYSA-N 322.404 5.036 30 10 DKEE CC(C)C[C@H](CS)COCc1cc(Cl)cc(Cl)c1 2328523595 PSSQYEBDDODUMR-LBPRGKRZSA-N 307.286 5.102 30 10 DKEE C=CCC(CC=C)Sc1c([C@H](C)NC)ccc(Cl)c1F 2360376833 UDTPXKMPDQHPCK-NSHDSACASA-N 313.869 5.372 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2 14548803 KQYZNXPEHLLZFP-SPYBWZPUSA-N 309.434 5.139 30 10 DKEE CCCCCCCCNc1ccc(F)cc1Br 59089250 URIJHPDSWCZHCC-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 59291233 JEIBRLHAPQKXKE-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Nc2ccc(Br)cc2)CC1 86914095 WOSACSOZZYHSHV-CJNGLKHVSA-N 321.262 5.114 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCC[C@H](C(C)C)CC1 86943996 ZTIVFGHHBXDAAC-IRXDYDNUSA-N 303.515 5.982 30 10 DKEE C=CCOc1ccc(CNc2c(Cl)cccc2Cl)cc1 88168000 JYLYPLWXUXOLPJ-UHFFFAOYSA-N 308.208 5.170 30 10 DKEE CCCCCCCCOc1ccc([C@@H](CC)NCC2CC2)cc1 100047130 AYYQQEXXQUIONA-OAQYLSRUSA-N 317.517 5.877 30 10 DKEE CCCCCCCN[C@@H]1CCC[C@H]1CCCCCCC(=O)O 109195801 RZZNGDIYQSCFGK-QZTJIDSGSA-N 311.510 5.140 30 10 DKEE CC[C@H](Nc1cc(C#N)ccc1C)c1ccc(Cl)c(Cl)c1 109945168 JHBIAEKXYNUVCT-INIZCTEOSA-N 319.235 5.737 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1cc(C(F)(F)F)ccc1Cl 110153812 FPNWJZHDIZAIOP-ZWNOBZJWSA-N 316.754 5.243 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Cl)cc1Br 123265328 AVNWWRGPNYYAMK-CQSZACIVSA-N 319.670 5.496 30 10 DKEE CCCCCCCCC[C@H](Cc1cc(F)ccc1Cl)NC 126755246 ZGDHOVVTMHQNGX-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCCCCNCCCCC(F)(F)F 130702153 DLJWXDRWRXBERG-UHFFFAOYSA-N 309.460 6.230 30 10 DKEE N#Cc1c(Cl)cccc1Sc1ccc(O)c2ccccc12 163446065 BRZPUXIFHWDBPU-UHFFFAOYSA-N 311.793 5.222 30 10 DKEE CCn1c(C)c(/C=N/Nc2ccc(C)c(C)c2)c2ccccc21 169876836 NIVZGBPFIFWBDF-FYJGNVAPSA-N 305.425 5.032 30 10 DKEE C=CCCCCC[C@@H](Cc1ccc(Br)cc1)NCC 233537546 JTELLWMURNHFLE-KRWDZBQOSA-N 324.306 5.106 30 10 DKEE SCC1(CSc2ccc(Cl)cc2Cl)CCCC1 322632088 RIUIVDBNCVJOQC-UHFFFAOYSA-N 307.311 5.576 30 10 DKEE C=CC[C@@H](CC)N[C@H](C)c1ccc(Br)cc1Cl 393795016 OKNQPFOQTYFMKX-ZYHUDNBSSA-N 316.670 5.108 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H](C)OCc1ccccc1 404348140 NKWBTTQFZVPFMN-QUCCMNQESA-N 305.506 5.450 30 10 DKEE CC(C)(C#N)CCCNc1ccc(SC(F)(F)F)cc1 690228215 HPGQGGOJFFAPSI-UHFFFAOYSA-N 302.365 5.040 30 10 DKEE C=CCCCCC[C@@H](O)c1ccccc1NC(=O)OC(C)(C)C 697457095 IXTFNBXBMRFMEN-QGZVFWFLSA-N 319.445 5.204 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1cscc1Cl 711547666 INGVPHKJCBUOHU-KRWDZBQOSA-N 315.954 6.712 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Br)cc1C 715814407 RKMOUONOPBWXNY-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE CSc1ccc(SC(F)(F)F)c2sc(CC#N)cc12 725318577 QRBWBNIYEAZZSQ-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C=CCn1c([C@H]2C[C@@H]2c2ccccc2Cl)nc2ccccc21 1873514127 YIUPOLKUIPIWCX-CABCVRRESA-N 308.812 5.147 30 10 DKEE CCCCCCCC[C@H](C)N(Cc1ccccc1)[C@@H](C)C(=O)O 1902382480 CRSHTNOCNIQAME-ROUUACIJSA-N 319.489 5.101 30 10 DKEE C=CCCCCCCCCCC(=O)CCNCc1ccccc1 1995327719 KONZYWRRIISMKD-UHFFFAOYSA-N 315.501 5.432 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)CC(C)(C)O 1995328934 WKWKVAOWMALWFI-UHFFFAOYSA-N 317.517 5.176 30 10 DKEE C#CCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 2005478948 MDDJJSKTXXAPDD-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE CC#CCCCCNc1ccc(Br)c(Cl)c1C 2023977061 BNSPEYUEAFCZSU-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC12CC2 2053368076 YGPBBLNBUWLOES-LRDDRELGSA-N 304.231 5.027 30 10 DKEE C=CCCCCOc1ccc2cc(Br)ccc2c1 2059123580 LTZPYSSTVWTVKM-UHFFFAOYSA-N 305.215 5.337 30 10 DKEE C=CCC[C@@H](C)N[C@H](CCC)c1ccc(Oc2ccccc2)cc1 2087918900 RUAVHBUMYSOBCN-XMSQKQJNSA-N 323.480 6.264 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccsc1C(F)(F)F 2158322820 FKORJCOIJXQNEI-YPMHNXCESA-N 305.409 5.410 30 10 DKEE CCCSc1ccccc1N=C1N[C@](C)(CC)CCS1 2158459126 JABGFWMZAMKUIZ-MRXNPFEDSA-N 308.516 5.071 30 10 DKEE C=CC[C@H](C)[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164166500 UOLOVIPVLUFJIA-YVEFUNNKSA-N 305.874 5.541 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc2sccc2s1 2207440014 VAQNMHGLUQJANE-AWEZNQCLSA-N 308.512 6.303 30 10 DKEE C=C[C@@H](CCCCC)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl 2239505522 RUVCKMZKACJDOT-JTQLQIEISA-N 318.200 5.415 30 10 DKEE C=C(C)CCCCOc1cccc(Br)c1Cl 2244651779 ZRMICVRISJIAJS-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE C=CCCC[C@@H](NCC)c1sc(Br)c(C)c1C 2247217173 NAUKLYMXUNNISZ-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@@H](F)CC[C@@H]1NCC 2287381780 AMYDGAVLKZOJFK-YESZJQIVSA-N 301.515 5.115 30 10 DKEE CCCCCCCC[C@@H](NC)c1cnc(C(C)(F)F)s1 2289210539 FQOLXBWJRLXHOT-GFCCVEGCSA-N 304.450 5.266 30 10 DKEE CCCCCCC[C@@H](NCC)c1csc(C(C)(F)F)n1 2289379478 CTUPPORAVYSSSC-GFCCVEGCSA-N 304.450 5.266 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1sccc1Br 2304050631 ZRPHKCHHGIJNQL-ZDUSSCGKSA-N 316.308 5.154 30 10 DKEE C=C1C[C@H]1[C@@H](NCCC)c1cc(Cl)c(Cl)cc1Cl 2319254976 HWTZOJUBCVFQAW-YMTOWFKASA-N 304.648 5.264 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1ccc(C(C)C)cc1 2322724919 VINIERNEZPFMFB-UHFFFAOYSA-N 308.421 5.495 30 10 DKEE O=C(C(=CO)N=Nc1ccccc1)c1ccc(Cl)cc1Cl 2333266710 HEGRGGZHSJZRDQ-UHFFFAOYSA-N 321.163 5.359 30 10 DKEE C=CCC(CC=C)SC[C@H](NC)c1cc(C)cc(Cl)c1 2360206315 WFHUXFOISJRPMY-KRWDZBQOSA-N 309.906 5.163 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 2364229239 XECULOHFMZPHQU-UHFFFAOYSA-N 302.723 5.310 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc(F)c(Cl)cc2Cl)CC1 2377388917 HMCXHHMQGUWVPT-MRXNPFEDSA-N 316.247 5.530 30 10 DKEE Cc1ccc(CO/C(=N\c2ccc(C)cc2)c2ccccc2)cc1 5413905 XMNBCHWWOLIDEU-FCQUAONHSA-N 315.416 5.599 30 10 DKEE Cc1ccc(C(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1 6338235 PPRWZVWHNQRBFR-NTCAYCPXSA-N 314.384 5.683 30 10 DKEE N#C[C@H](C(=O)c1cc2ccccc2s1)c1ccccc1Cl 44268192 ZUCBQEQJWRRIAC-ZDUSSCGKSA-N 311.793 5.045 30 10 DKEE CCCCCCCCCCO[C@@H]1CCN(C)c2ccccc21 103007222 APOXCBJMFYVCQK-HXUWFJFHSA-N 303.490 5.725 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(C(F)(F)F)ccc1Cl 109748058 XNQSOQGJOYLBIJ-LBPRGKRZSA-N 321.814 6.520 30 10 DKEE CCCCCCCCOc1ccc(CNCCC)cc1Cl 110095830 DVMKIXYCECUYOB-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@@H](OC)C(C)(C)C 123511358 QMHMHTRAKULLBE-QZTJIDSGSA-N 300.527 5.719 30 10 DKEE CCCCCCC[C@@H](COc1cccc(Cl)c1)NCCC 139603051 WBCXMNYJAQNWID-KRWDZBQOSA-N 311.897 5.448 30 10 DKEE N#Cc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cc1F 160495267 ZHLKWUFFAZWJQQ-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCn1cc(C[C@H](C)N)c2ccc(Cl)cc21 164146650 UQFMVKMRKNZGKH-AWEZNQCLSA-N 306.881 5.155 30 10 DKEE Cc1cc(Oc2c(C)cccc2C#N)cc(C)c1Br 235886070 CCEVCPJSDBZVOK-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C(=Nc1cccc2ccccc12)c1ccc(N2CCCC2)cc1 254354368 SOWQCLXOHMSTGD-UHFFFAOYSA-N 300.405 5.191 30 10 DKEE CC(=NNc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 254478410 WOLSHZSDTXSCOK-UHFFFAOYSA-N 300.405 5.498 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 303760649 WIVFQZPXTBJNQG-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE Cc1cccc(Nc2ccc(Br)cc2C#N)c1Cl 305950129 CSYYDGAQMCKUFU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE COc1ccc(C#N)cc1CSc1cc(Cl)cc(Cl)c1 312439001 VNIQHDQNDAUVFZ-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE C=C([C@H](NCCC)c1ccc(Cl)c(Cl)c1)C(F)(F)F 388261905 KZSJRMGSDDFXAF-LBPRGKRZSA-N 312.162 5.153 30 10 DKEE CCCCCCCCCCNC[C@H](C)N(C)Cc1ccccc1 390582790 KASMPASVAMTFGC-FQEVSTJZSA-N 318.549 5.237 30 10 DKEE Fc1c(F)c(F)c(-c2cccc(C(F)(F)F)c2)c(F)c1F 1848360030 MXCPASXHONUYNP-UHFFFAOYSA-N 312.159 5.068 30 10 DKEE CCCCCCCCNC(=O)C[C@@H](c1ccc(F)cc1)C(C)C 1868191920 AUZAUQFUGZNZCX-LJQANCHMSA-N 321.480 5.432 30 10 DKEE C#C[C@@H]1CC[C@H](N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 1918870861 FIXJFBCYNCRPIC-MXWKQRLJSA-N 316.659 5.099 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(OCc2ccccc2)cc1 1975926393 LEARDYGUEXHFMM-DYESRHJHSA-N 309.453 5.128 30 10 DKEE C=CC1(CNc2ccc(Br)c3ccccc23)CCC1 2111707191 CFYMUAPGPFSHJJ-UHFFFAOYSA-N 316.242 5.371 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1cc(Cl)cs1 2158612007 SUBNTZGAWGAYFT-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@H](O)c2ccc(Cl)c(Cl)c2)C1 2168549611 YLNFWTINAOAEQV-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cc2sccc2s1 2203807373 MRECFDJYIPKNLP-AWEZNQCLSA-N 305.512 5.587 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1cc(Cl)sc1C 2207403188 MXHABIHWUMEPBQ-INIZCTEOSA-N 313.938 6.407 30 10 DKEE C=CCCCSc1cc(Cl)sc1CNC1CCC1 2259954386 DDUDNLXJULWZLT-UHFFFAOYSA-N 301.908 5.102 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1[C@@H](C)O 2287179219 SXOPZUCFZIPPKL-CQSZACIVSA-N 312.906 6.012 30 10 DKEE C=CCCCCCC[C@H](OCCCN)c1ccsc1Cl 2292772840 WOUPKWJGNCPGDE-HNNXBMFYSA-N 315.910 5.335 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(Br)cc1 2321099656 ULMIJQLHQPATFE-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C)cc(Br)c1 2321105916 UIECKMCSLRGEKF-HZPDHXFCSA-N 310.279 5.010 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cc(Cl)c(Cl)cc1Cl 2321219342 IAYJZLIELUWFHS-KGLIPLIRSA-N 307.648 5.673 30 10 DKEE C=C1CCC(C[C@@H](O)c2c(Cl)cc(F)cc2Cl)CC1 2340801744 QSSXTNUOYJEYMS-CQSZACIVSA-N 303.204 5.302 30 10 DKEE O=C(Cc1cc(F)c(Cl)cc1Cl)C1=CCCCCC1 2349884818 GWGCWGBFRBVWLY-UHFFFAOYSA-N 301.188 5.135 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](CC)c1ccc(Cl)cc1Cl 2362220141 FVVVIGJAFLFBAL-JCURWCKSSA-N 312.284 5.779 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2cc(F)c(Cl)cc21 2362314757 PSDPIWFMMGDMFO-RNCFNFMXSA-N 310.825 5.035 30 10 DKEE C=CC[C@@H](CNCC(C)C)Cc1ccc(Cl)c(Cl)c1C 2364220073 PLBWOXREAYEOKY-CQSZACIVSA-N 314.300 5.282 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccsc1C(F)(F)F 2370522200 OOCIKGCSCRNFAC-OCCSQVGLSA-N 305.409 5.410 30 10 DKEE C=CC[C@H](CNCC(C)C)Cc1cc(F)c(Cl)cc1Cl 2377395165 RTHGMFPEFUUSKU-LBPRGKRZSA-N 318.263 5.113 30 10 DKEE CCc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)cs2)cc1 6450487 MWSDDFSFFZOFPW-UDWIEESQSA-N 321.449 5.127 30 10 DKEE COc1ccc2cc(/C(C)=N\Nc3cccc(Cl)c3)ccc2c1 33766998 WFGHRYNNYVFSQU-BKUYFWCQSA-N 324.811 5.338 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(F)ccc2Br)C1 87972897 ZAXLPPYQMDVWSE-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(F)c(F)c(F)c1 109730366 PVHJZKKZZDRITM-MRXNPFEDSA-N 301.396 5.505 30 10 DKEE CCCCCCCCO[C@H](CNCC)c1ccc(Cl)cc1 110070419 OHUYQPIDFKQQFT-GOSISDBHSA-N 311.897 5.368 30 10 DKEE CC[C@H](C)Oc1cccc(Nc2ccc(C#N)c(Cl)c2)c1 110258112 MSFOOGQWVIYHQD-LBPRGKRZSA-N 300.789 5.133 30 10 DKEE CCCCCCCCCCOc1ccc(C(=N)N)cc1Cl 110323159 UUTSZZWEUJQJRV-UHFFFAOYSA-N 310.869 5.144 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(C(F)(F)F)cn1 140298744 YNMFBRYLUOFJQX-CQSZACIVSA-N 302.384 5.112 30 10 DKEE CCCCCCCC(=O)Cc1nc(-c2ccccc2)cs1 167924257 UQLCZRGFMMAUGR-UHFFFAOYSA-N 301.455 5.282 30 10 DKEE Cc1cc(Cl)ccc1Nc1ccc(Br)cc1C#N 229166720 YTOMJYTZQNDMSK-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(C#N)cc(N[C@@H]2CCCc3sc(Cl)cc32)c1 308120030 FEELPWMSQZWVKJ-CQSZACIVSA-N 302.830 5.071 30 10 DKEE CCCS[C@@H]1CCCN(CC(CS)(CCC)CCC)C1 383031214 IWITXNZFQURTOW-MRXNPFEDSA-N 317.608 5.110 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(OCc2ccccc2)cc1 393939691 UVWOWVWMDALKMI-NRFANRHFSA-N 309.453 5.273 30 10 DKEE C=CCCC[C@@H](C)NCc1cccc(OCc2ccccc2)c1 398186650 QCCDRDCXHQXTDR-GOSISDBHSA-N 309.453 5.100 30 10 DKEE C#CCCCCC[C@@H](NCC)c1cc(Cl)sc1Cl 686689887 WHQQNGYUWUFKHD-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCC1CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC1 698888938 DMDUQPHFEHZSGN-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C=CCCC(C)(C)CNc1nc(Cl)c(Cl)cc1Cl 709443043 QWVWVMAWQMTQJI-UHFFFAOYSA-N 307.652 5.446 30 10 DKEE C=C1CCC(CN[C@@H](C)c2cc(Cl)sc2Cl)CC1 724440864 LOCMZKAPJVPMKH-JTQLQIEISA-N 304.286 5.452 30 10 DKEE C/C(CCc1ccccc1)=N\OC(=O)c1ccc(C(C)(C)C)cc1 1860468489 BGRGLXDIIFTFLV-CJLVFECKSA-N 323.436 5.150 30 10 DKEE CCCCCCCCC(=O)N1[C@H]2CCCC[C@@H]2[C@H]2CCCC[C@H]21 1866357306 YKTHKLGELCPFLK-WTGUMLROSA-N 319.533 5.697 30 10 DKEE C=CCN(CCCCCCCN[C@H](C)CC)Cc1ccccc1 1900655113 NLAKYKUUVFCQAL-HXUWFJFHSA-N 316.533 5.013 30 10 DKEE C=CCN(CCCCCCCCCC)CC(=C)Br 1916877953 JWWMQMHLFAQJPW-UHFFFAOYSA-N 316.327 5.524 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cscc1OCc1ccccc1 1955234094 CKUOSJXZWNJOTD-CQSZACIVSA-N 300.423 5.112 30 10 DKEE CSc1cc(C(F)(F)F)c(C(F)F)c(C(F)(F)F)c1 2060206235 RQGWKFKRUMVFRZ-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE C=CCC[C@H](C)[C@@](C)(O)c1cc2cc(Br)ccc2o1 2102096419 NEAGNFXUSAADTC-MEDUHNTESA-N 323.230 5.005 30 10 DKEE CCCSc1ccccc1N=C1N[C@@](C)(CCC)CS1 2158456829 HDAQRZPRWLBURZ-INIZCTEOSA-N 308.516 5.071 30 10 DKEE C=C1C[C@H]1C[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164169230 SOFFPQKFFQURPN-ZFWWWQNUSA-N 303.858 5.295 30 10 DKEE CCC[C@@H](N=C1N[C@@H](c2ccsc2)CS1)c1cccs1 2175634527 QYWDYSIUGISRFG-CHWSQXEVSA-N 322.524 5.085 30 10 DKEE Cc1cc(Cl)cc(C)c1Oc1cc(Cl)c(F)cc1C#N 2184423477 RNEXIWHPAWYVRQ-UHFFFAOYSA-N 310.155 5.413 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](N)c1cccc(Cl)c1Cl 2207449767 PMYXHUPDLSJGIZ-HOCLYGCPSA-N 318.288 5.105 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Cl)c(Cl)s1 2220096691 HPOOJRWNYFTQGW-UHFFFAOYSA-N 305.270 6.154 30 10 DKEE Cc1csc(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)c1C 2234256136 OOTLSRCGMCVFTB-CYBMUJFWSA-N 324.232 5.162 30 10 DKEE CCCCCCC[C@](C)(O)CCCC(F)(F)C(F)(F)F 2240451687 SWZDRZTZWZDSPI-LBPRGKRZSA-N 304.343 5.466 30 10 DKEE CCCCCCCC[C@@H](C)NCCC(F)(F)C(F)(F)F 2240645792 YFOUDWACMLNIGZ-GFCCVEGCSA-N 303.359 5.303 30 10 DKEE C#CCCCCC[C@H](N)c1cc(Br)cc(C(C)C)c1 2265960722 WMRBDDFUNFRVNA-KRWDZBQOSA-N 322.290 5.156 30 10 DKEE CC(C)(C)c1cc(Br)cc(C(=O)C2=CCCCC2)c1 2273011408 FUCFFAHFUXAKAZ-UHFFFAOYSA-N 321.258 5.430 30 10 DKEE C=CCCCSC[C@@H](NCCC)c1cc(F)cc(Cl)c1 2287077063 VJCDKUQRTQFCBV-MRXNPFEDSA-N 315.885 5.219 30 10 DKEE C=CCCCCCCCSc1ccc(CCN)c(Cl)c1 2287091077 URFZGKBOYLOYRV-UHFFFAOYSA-N 311.922 5.460 30 10 DKEE CCCCCCCC[C@@H](OCCCN)c1cscc1Cl 2293717023 JEEFYBDENZVTCI-MRXNPFEDSA-N 317.926 5.559 30 10 DKEE C=CCC(CC=C)OCc1cc(Cl)cc(Br)c1 2298828930 SNOCVMBWOIKVDR-UHFFFAOYSA-N 315.638 5.140 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1SCc1ccc(Br)cc1 2318735880 ZEUUTVXNDKRTOQ-DZGCQCFKSA-N 324.287 5.155 30 10 DKEE C=C(C)CCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2366805415 GQTYWTRCTPYTLU-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE C[C@@H]1CCC[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)C1 2366909996 OSEALUFEPUMRLP-CXAGYDPISA-N 310.268 6.036 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(F)c(Cl)cc1Cl 2377267564 DVRYQNOWWLVOAV-INIZCTEOSA-N 321.263 6.307 30 10 DKEE CCCCCCCC(=O)[C@H](O)c1cc(F)c(Cl)cc1Cl 2377331764 KPHDDNZKWAPETP-OAHLLOKOSA-N 321.219 5.096 30 10 DKEE Cc1cccc(N[C@@H](C#N)c2cc(F)c(Cl)cc2Cl)c1 2377416665 AYJXYJWTZYDWQG-HNNXBMFYSA-N 309.171 5.118 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154032 NNVSWCDLRHRXRQ-GRDNDAEWSA-N 321.917 6.177 30 10 DKEE CC(C)(C)c1oc(-c2ccc(Cl)c(Cl)c2)cc1CC#N 77084939 PHZJOZZTGVKPOQ-UHFFFAOYSA-N 308.208 5.617 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 83204215 UBHDEWKAQVSJAL-IZZDOVSWSA-N 300.785 5.025 30 10 DKEE CCCC1(CCC)CC(C#N)(Sc2ccccc2Cl)C1 90234089 WCNRMQDRCVHATP-UHFFFAOYSA-N 307.890 6.075 30 10 DKEE CCCCCCCCCc1nc(-c2cccc(N)c2)cs1 104654560 QCSUDCGSUCVQOZ-UHFFFAOYSA-N 302.487 5.685 30 10 DKEE CCCCCCCCO[C@H](c1cccc(Cl)c1)[C@H](N)CC 109988815 QAKNXBWHCWYZQH-QZTJIDSGSA-N 311.897 5.496 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1 115062650 DDYSQSSCKFJVLN-MRXNPFEDSA-N 302.289 6.134 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccc(C)c(Cl)c1 122666330 OLAKUHIZIANRMN-SFHVURJKSA-N 310.913 5.684 30 10 DKEE Cc1ccc(Cl)cc1Nc1cc(Br)ccc1C#N 123093628 SZNUVGZDNHFEIS-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C[C@@H](N[C@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(C#N)s1 134836263 ZCNMNHSGJONFGY-SJKOYZFVSA-N 316.445 5.197 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(C(F)(F)F)cn1 139530224 YOEWKNJBUJIGNS-CQSZACIVSA-N 302.384 5.241 30 10 DKEE CCCc1c(-c2cc3ccc(F)cc3s2)sc(C#N)c1N 161257269 ASFRTWZTKLTNOM-UHFFFAOYSA-N 316.426 5.175 30 10 DKEE N#Cc1cccc(Nc2ccc(Br)c3ccccc23)c1 227627969 GGESFNHDPVLINK-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCCC[C@H]1CNc2c(Cl)cc(Cl)cc21 232929167 OGZWCFUWSOSIAY-LBPRGKRZSA-N 300.273 6.253 30 10 DKEE N#CCc1ccc(CSc2cc(Cl)ccc2Cl)cc1 399246771 WCZVRQNXAQFOKV-UHFFFAOYSA-N 308.233 5.352 30 10 DKEE C=CCCSCCN[C@@H](CC)c1ccc(Cl)cc1Cl 710140773 MPZAZVZRZMMBAH-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE CCCCCCCCCCCCNCc1cnc(Cl)s1 718828477 CFGQOGAOQSAIHG-UHFFFAOYSA-N 316.942 5.807 30 10 DKEE CCCCCCCCNC(=O)[C@H](c1ccc(C)cc1)C(C)C 1868200072 LCCHRUPQSKOGJK-IBGZPJMESA-N 303.490 5.211 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1ccc(C)c(C)c1 1874588413 KZAQCXLFOSAJDI-VAWYXSNFSA-N 306.405 5.154 30 10 DKEE N#Cc1cc(Cl)ccc1OCc1cc(Cl)cc(Cl)c1 1893151968 CDAXCCWKWXZPHX-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(CNC(C)C)c(C)c1 1914939989 ZKUNJDSFOFVEEW-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=C(C(C)(C)C)[C@](C)(O)c1ccc(OCc2ccccc2)cc1 1919647433 JAZIJRAMUUHVJJ-NRFANRHFSA-N 310.437 5.075 30 10 DKEE C=C([C@@H](NCC)c1cc2cc(F)ccc2s1)[Si](C)(C)C 1922875231 PKCOEHCYMWCJJG-MRXNPFEDSA-N 307.510 5.125 30 10 DKEE C=C(COCc1ccccc1)C(=O)c1ccc(C(C)(C)C)s1 1959916419 DTCXIMWTYGILBW-UHFFFAOYSA-N 314.450 5.001 30 10 DKEE SC[C@@H](CC1CC1)CN(Cc1ccccc1)CC1CCCC1 1961122215 CDIPZQOAVJTSLP-FQEVSTJZSA-N 317.542 5.025 30 10 DKEE C=CCC[C@H](C)[C@]1(O)CCC(C)(C)C[C@@H]1OCc1ccccc1 1977461644 LMFJMXMEPASAKA-HFSMHLIXSA-N 316.485 5.115 30 10 DKEE C=C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CC1 2040409430 LWMAGMXSSQQKJR-QPUJVOFHSA-N 304.648 5.262 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(Br)cc1 2050513112 MHOLGPALQVAYBT-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=CCCCCCCOc1ccc(Br)cc1CC 2085849827 OSTNXALNLQMSHA-UHFFFAOYSA-N 311.263 5.527 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2139114398 CUDVRKOEGFQGPA-WBMJQRKESA-N 300.273 5.116 30 10 DKEE CCCCCCCCCC[C@@]1(C(=O)O)CCS[C@@H](C)C1 2159712517 NSXRIHWMFMOAHH-DOTOQJQBSA-N 300.508 5.504 30 10 DKEE CCCCCCC[C@H](NCC)[C@@H](O)c1cc(C)c(Cl)s1 2165428881 FZFKLEGLPDFKOY-DZGCQCFKSA-N 317.926 5.082 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@H](O)c1cc2cscc2s1 2173640908 ZBFJWMSGDBKHOY-ZBFHGGJFSA-N 305.468 5.106 30 10 DKEE CCC[C@@H](N=C1N[C@H](c2ccsc2)CS1)c1cccs1 2175634528 QYWDYSIUGISRFG-OLZOCXBDSA-N 322.524 5.085 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 2207415108 QTICILYYSYIIKE-UXLLHSPISA-N 314.560 5.488 30 10 DKEE CCCCCCCCC[C@@H](N)c1nc(C(C)(F)F)cs1 2234781560 GVIGOZAPOCYOHN-GFCCVEGCSA-N 304.450 5.395 30 10 DKEE CC1(C)CCC(C=O)(CCCC(F)(F)C(F)(F)F)CC1 2240478354 ULYSTTMDTOOSLL-UHFFFAOYSA-N 300.311 5.140 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1sccc1Br 2250155392 CUCHPILTEDRWNE-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE C=C(C)CCCCNc1c(C)cc(F)cc1Br 2250161477 NOVGKNZCMUCCPM-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE CC1(C)CC(=O)C=C(c2ccc(C(F)(F)F)cc2Cl)C1 2285198290 GJRYBCOLSLQUJR-UHFFFAOYSA-N 302.723 5.131 30 10 DKEE CCCCCCCC[C@@H](N)c1sc(C(F)(F)F)cc1C 2295010449 DGSGIBJMYCCZMU-GFCCVEGCSA-N 307.425 5.826 30 10 DKEE O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 2313541400 GATPHFVWEHEZOC-UHFFFAOYSA-N 310.702 5.255 30 10 DKEE CCC(=NOCc1ccccc1C)c1ccc(OC(C)C)cc1 2330269815 WWFBVLRNONGVRB-UHFFFAOYSA-N 311.425 5.113 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1cc(C)cc(Br)c1 2338744255 MJTIMBOBMZHZPG-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NC 2344355364 GHTLIZRBARLYDL-CQSZACIVSA-N 300.273 5.035 30 10 DKEE C=CCC(C)(C)[C@@H](N)c1c(C)c(C)c(Br)c(C)c1C 2345965294 FOXMNMWRSUACLG-INIZCTEOSA-N 324.306 5.285 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1csc(C(F)(F)F)c1 2364078611 UJRGDKIZODUZHI-CQSZACIVSA-N 303.393 5.186 30 10 DKEE C#CCCCCCCN[C@H](C)c1cc(Cl)cc(Cl)c1F 2364160519 KFHCWZTZFCEVBD-GFCCVEGCSA-N 316.247 5.367 30 10 DKEE Cc1c([C@@H](O)CC#CC2CCCCC2)ccc(Cl)c1Cl 2364547093 CXWGIVUVPUYUIC-INIZCTEOSA-N 311.252 5.309 30 10 DKEE C=CC[C@](C)(CC)[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2370526677 XCFGTZHZJDQUCO-IRXDYDNUSA-N 314.300 5.506 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2377277968 KTJGAPNRZXEGPE-INIZCTEOSA-N 314.231 5.785 30 10 DKEE C[C@H]1[C@@H]2C[C@@H](C/C2=C2C(=N/O)/[C@H]3C[C@@H]/2C(C)(C)[C@@H]3C)C1(C)C 13563569 CCDHTPVHZBYPLL-BQKUANFLSA-N 301.474 5.127 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)cc1 33406270 VOSSWBSPKPJPLA-BENRWUELSA-N 306.336 5.290 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCC1)c1ccc(Cl)cc1Cl 53714824 ZWRBRPZLDAUCEJ-CQSZACIVSA-N 310.224 5.140 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Sc1cccc(Br)c1 55307770 IELDFHQZZILYQW-RISCZKNCSA-N 310.260 5.014 30 10 DKEE Cc1ccc(N/N=C/c2ccc3cc4ccccc4cc3c2)cc1 59166481 NDYLTHXCCYBKNI-HZHRSRAPSA-N 310.400 5.747 30 10 DKEE Cc1ccsc1/C=N/c1ccc(-c2ccccc2[N+](=O)[O-])cc1 59505163 LRZFVOGVNUXBGE-XDHOZWIPSA-N 322.389 5.382 30 10 DKEE SCC1(CO[C@H]2CCCc3ccccc32)CCCCCC1 94583803 CXIPPOYOEZJUNL-SFHVURJKSA-N 304.499 5.351 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 110354788 KLTKTUPWOZJSSY-GRDNDAEWSA-N 321.917 6.177 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(C)c(Cl)s1 226670434 CPXYJCWYVKKSNH-AWEZNQCLSA-N 301.927 6.111 30 10 DKEE Cc1ccc(Cl)cc1Oc1cc(Br)cc(C#N)c1 227636378 RTPPLEZDLOTYJI-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccccc1OCc1ccccc1 309968084 MBSIIKNNDBTAOY-HXUWFJFHSA-N 309.453 5.273 30 10 DKEE CC1([C@H](C#N)Nc2ccccc2Br)CCCCCC1 394763903 YUPGMVDFSPPWBR-HNNXBMFYSA-N 321.262 5.114 30 10 DKEE CC(C)(C)[C@H](C#N)CNc1cc(Cl)c(Cl)cc1Cl 397513869 QGKABHBWBUIFNM-MRVPVSSYSA-N 305.636 5.245 30 10 DKEE CCC[C@H](C)C(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405933847 UVARPEBJZBTPNN-UELRPHRMSA-N 317.429 5.052 30 10 DKEE CCCCCCCCCOc1cccc(F)c1Br 694737176 CDNJFHPAPAVDCL-UHFFFAOYSA-N 317.242 5.718 30 10 DKEE C=C1CCC(C[C@@H](Cc2ccc(Cl)cc2Cl)NC)CC1 724589310 QIRMIMBRHJXUJH-INIZCTEOSA-N 312.284 5.260 30 10 DKEE CCCCCCCCC[C@](C)(N)c1cc(Cl)sc1Cl 1919509780 YKOXXGKATPMMDT-HNNXBMFYSA-N 322.345 6.370 30 10 DKEE C=C1CC(CNc2ccc(Br)c(Cl)c2Cl)C1 1985530207 DXODWISXZLHPFW-UHFFFAOYSA-N 321.045 5.134 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccc(C)cc1Br 2059111206 IJHPZZZTNOFJPJ-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@@H](O)c1cc(Cl)cs1 2148586409 IQPZMILJFIEKJA-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CCSc1cccc(Nc2cc(Cl)c(C#N)cc2F)c1 2177388182 OGBUGSROHSCARB-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE CCCCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1OC 2204247015 CILNPUKQBZELCY-CQSZACIVSA-N 318.288 5.752 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(-c2cccs2)s1 2205936341 CKJVOROTENQQQL-KGLIPLIRSA-N 305.512 5.730 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1c(Cl)cncc1Cl 2207404814 PGGMVTDIHKGUJB-OAHLLOKOSA-N 316.272 5.729 30 10 DKEE C=CCCCCCCCCNc1c(F)cc(F)cc1Cl 2207409108 LWCPQDWAIQHPRP-UHFFFAOYSA-N 301.808 5.947 30 10 DKEE CCCCCCCCNCc1cc(C)cc(Br)c1 2221576388 ATUQIVHIGINDPG-UHFFFAOYSA-N 312.295 5.208 30 10 DKEE N#Cc1sc(SCCCCCCC2CC2)nc1Cl 2223107232 FBDXQHZPZRNTDJ-UHFFFAOYSA-N 300.880 5.121 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(C)c(Br)c(C)c1 2227359576 JLAZIKPOSMOUDQ-LRDDRELGSA-N 324.306 5.319 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1cc(Cl)cc(Cl)c1 2231522871 ZCZSLKWYUWPYAE-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)ncc1F 2239551988 WKPPGVKTVZJQOS-UHFFFAOYSA-N 302.821 5.179 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(Cl)c(Cl)cc1C 2270956112 IHRVPAKDULEYHI-INIZCTEOSA-N 301.257 5.862 30 10 DKEE C=CCCSC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2271591905 SWSMTQJQHBKJOC-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE C=CCC[C@H](C)[C@H](OCCCN)c1cccc(Cl)c1Cl 2293908831 DNZWFQNKIKZVEZ-LRDDRELGSA-N 316.272 5.002 30 10 DKEE C=CCCCCCC[C@@H](O)c1sc(C(F)(F)F)cc1C 2295260217 GJGZLLOTJOWZQP-GFCCVEGCSA-N 306.393 5.635 30 10 DKEE CCC[C@@H](OCCCB1OC(C)(C)C(C)(C)O1)c1ccccc1 2302035080 XCSJXOPSRBRVJN-QGZVFWFLSA-N 318.266 5.027 30 10 DKEE C=CCCCCC[C@@H](NC)c1csc(C)c1Br 2303633742 IFAFVGQKXXEUGI-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CC1(C)CC(CS)(CSc2cc(Cl)ccc2Cl)C1 2321751824 GNOGTADYPQIJCM-UHFFFAOYSA-N 321.338 5.822 30 10 DKEE C=CC[C@@H](C)Sc1ccc(F)c(Cl)c1CN[C@@H](C)CC 2360365771 QBOFVFCFCSZXIE-NWDGAFQWSA-N 315.885 5.424 30 10 DKEE CC[C@](C)(CN(C)CCCCCCCCCS)C(F)F 2361804514 MXANIJKGKQWVAT-MRXNPFEDSA-N 309.510 5.260 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2c(Cl)cc(F)cc2Cl)C1 2366411125 GFVIDTFQKOPMCO-OAHLLOKOSA-N 316.247 5.530 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377412332 VYMLTYHYHSBQHJ-MEDUHNTESA-N 318.263 5.255 30 10 DKEE C=CC[C@@H](OCc1ccccc1)c1ccc(Br)cc1 21990212 DQQARYUSTMPULG-QGZVFWFLSA-N 317.226 5.283 30 10 DKEE O=C1/C(=C\c2ccccc2)Cc2ccccc2/C1=C/c1ccccc1 33679090 VJMUZPOKSLRNSH-DCUOGXPFSA-N 322.407 5.436 30 10 DKEE CCOc1ccc([C@H](C#N)Cc2cccc3ccccc23)cc1 57739213 PKDZLWXEZMHUMC-IBGZPJMESA-N 301.389 5.088 30 10 DKEE Cc1cc2nc(-c3ccc(Cl)cc3)n(CCCC#N)c2cc1C 57869026 CRGAIFOXSHLKTE-UHFFFAOYSA-N 323.827 5.277 30 10 DKEE N#Cc1cc(-c2ccc(Cl)cc2Cl)oc1C(F)(F)F 77086075 MOUACGRPURMNGE-UHFFFAOYSA-N 306.070 5.144 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2ccc(Cl)c(Cl)c2)CC1 87971969 XOQUVWHODWAEIM-UHFFFAOYSA-N 324.295 6.282 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(Br)cc1Cl 104005954 QQNSTDYNWQCWLQ-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(C)cc1C 108862309 PGIYOPQQGDMEHJ-UHFFFAOYSA-N 303.490 6.163 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Br)c(C)c1 109753752 USOXPDVQLVZTRO-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE CCCCCCCCC[C@@H](CSc1ccc(C)cc1)NC 116708444 JHVVDTRDDWHAPH-SFHVURJKSA-N 307.547 5.816 30 10 DKEE CCCCCCCC[C@H](NN)c1cc2c(s1)CCCCC2 122351438 JSBXUKBZCKBEDF-INIZCTEOSA-N 308.535 5.272 30 10 DKEE CCCCCCCCC[C@H](CSc1ccc(C)cc1)NN 126941974 XXOORQCZPHPEFB-QGZVFWFLSA-N 308.535 5.060 30 10 DKEE C=C(C)CCOc1c(Cl)cc(Cl)cc1CNC(C)(C)C 164387376 YWDOZAXPWZHCHV-UHFFFAOYSA-N 316.272 5.227 30 10 DKEE CCCCCCCCCOc1cc(Cl)c(Cl)cc1N 231633831 HUAICWKDJCGSHB-UHFFFAOYSA-N 304.261 5.705 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2 251199393 SBMMVGUQILDFKD-DXIQSLLYSA-N 317.432 5.386 30 10 DKEE c1ccc(N=C2SCCN(c3ccccc3)C3=C2CCC3)cc1 255998988 RFQHQYSXCRCMRA-UHFFFAOYSA-N 320.461 5.408 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 387476514 UTCACVBKGZABEO-MRXNPFEDSA-N 316.272 5.015 30 10 DKEE N#Cc1ccc(CSc2ccc(Cl)cc2Cl)cc1F 404759830 QXAOJHLGHNTYJQ-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C#N)CCCCCCCCC 698966802 HMWACVUXSMSUMC-KRWDZBQOSA-N 322.493 5.442 30 10 DKEE C=CCC[C@H](C)N[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1258717855 WHWJSHGOMLTKAV-LSDHHAIUSA-N 318.461 5.039 30 10 DKEE CCSc1ccc(/C(C)=N/OCCCc2ccccc2)cc1 1857937063 YDSASNPCDCKJSO-CAPFRKAQSA-N 313.466 5.172 30 10 DKEE CCCCCCCCCCNC(=O)c1sc(C(C)C)nc1C 1859670911 DHCUQCJALKKHMV-UHFFFAOYSA-N 324.534 5.445 30 10 DKEE C=CCC(CC=C)Nc1cccc(Br)c1Cl 1901002316 FXGMOWPHZIXOHE-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE C=CC[C@H](C)Nc1cc(NC(=O)OC(C)(C)C)ccc1Cl 1955213673 JCMCVJWUAGDLRQ-NSHDSACASA-N 310.825 5.064 30 10 DKEE CC1(C)CC[C@@H]([C@H](C#N)Sc2cccc(Br)c2)C1 2037681033 CJOMGFIEMKLIGW-RISCZKNCSA-N 324.287 5.260 30 10 DKEE C=C(Br)CCOc1ccc(CC)cc1C(C)(C)C 2044968806 FAWFHFFYQLKALE-UHFFFAOYSA-N 311.263 5.224 30 10 DKEE Cc1cccc(C)c1[C@@H](C)n1nc(C2CCCCC2)cc1C#N 2070117843 PGKUMWPVUFHYMA-MRXNPFEDSA-N 307.441 5.029 30 10 DKEE C=C[C@@H](N[C@H](c1cccs1)c1ccc(Cl)s1)C1CC1 2102004903 BGVQBAAVLBSTIF-IAQYHMDHSA-N 309.887 5.107 30 10 DKEE C=C1CCC(C[C@H](N)c2c(Cl)ccc(Cl)c2Cl)CC1 2107804044 MLCYCOGAOXPKIX-ZDUSSCGKSA-N 318.675 5.783 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 2125217794 SGWSKYMOJIZULM-SECBINFHSA-N 317.643 5.966 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1cc(F)c(Cl)cc1Cl 2138999372 DLVMWKNYFWICRT-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCC[C@H](Cc1ccc(Br)cc1)NC 2141912605 ACAYQWFWLDSQOX-QGZVFWFLSA-N 324.306 5.106 30 10 DKEE C[C@@H]1CCCC[C@]1(C#N)Cc1csc(-c2ccsc2)n1 2144694340 HLSVAJOHXOEXGM-MLGOLLRUSA-N 302.468 5.134 30 10 DKEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1cscc1Cl 2148347387 ULKCWRUVHWVUCI-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc3sc(C)cc3s2)CC1 2156562768 NBKPDNLXEXPVEN-CQSZACIVSA-N 305.512 5.668 30 10 DKEE C[C@@H](Nc1cc(Cl)c(C#N)cc1F)c1ccccc1Cl 2177381633 PGVPPBHXFNBOEI-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cc(Cl)cc(Cl)c2)CC1 2197966854 OCVYCXLEDHZLHL-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE CN(CCCCCCCCCS)CCCCC(C)(F)F 2201594443 MXUBEPVDGYPZKR-UHFFFAOYSA-N 309.510 5.404 30 10 DKEE C=C(C(=O)c1sc(C)c(C)c1Br)c1ccccc1 2221825306 CELKRUUEMZDHPS-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(Br)cc1C 2227290023 YEKUCGWGUZBYJT-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE N#Cc1c(Cl)cccc1SC12CC3CC(CC(C3)C1)C2 2238180199 ORQRRXVFRWRTKB-UHFFFAOYSA-N 303.858 5.273 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(OCc2ccccc2)cc1 2244634036 KDHLCYWURNXZOA-NRFANRHFSA-N 309.453 5.402 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Br)cc(C(C)C)c1 2271753270 LUNLZNCZSNGODV-UHFFFAOYSA-N 323.274 5.892 30 10 DKEE C=CCCC(C)(C)CNCc1cc(Cl)c(OC)cc1Cl 2281583871 TZEZHAXYGVBZSW-UHFFFAOYSA-N 316.272 5.084 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 2284111505 VJUCCZURRPVARJ-MRXNPFEDSA-N 310.268 5.250 30 10 DKEE CCCCCCC[C@](C)(OCC(=O)O)c1ccc(Cl)s1 2291902892 HJNVJAAVKSKEFO-HNNXBMFYSA-N 318.866 5.078 30 10 DKEE C=C(Cl)C[C@@](C)(CCCCCCCC)OCCC(=O)O 2292723060 RNVUZYKMWVUMCG-MRXNPFEDSA-N 304.858 5.130 30 10 DKEE C=CCCCCCCC[C@@H](OCCN)c1cc(Cl)cs1 2293783689 BAGHENBHKYIAGQ-OAHLLOKOSA-N 315.910 5.335 30 10 DKEE C=C(Cl)COCCCCCCCCCCCNC(C)C 2296260961 AZPAXHXNVPCGMY-UHFFFAOYSA-N 303.918 5.264 30 10 DKEE C=CCCCSc1cc(Cl)c(F)cc1CNCCC 2337274749 LZCUIVXCKKTORV-UHFFFAOYSA-N 301.858 5.037 30 10 DKEE C#CCCCCCCN[C@@H](CC)c1ccc(Br)cc1 2338793448 VILHWBNSVBYVDL-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2344377592 DKVZFWMXRKCDBR-AWEZNQCLSA-N 320.691 5.900 30 10 DKEE CC(C)(C)[C@@](C)(CS)COCc1cccc(Cl)c1Cl 2352176423 NGCAVLHFPZJKKO-OAHLLOKOSA-N 321.313 5.492 30 10 DKEE Cc1c(Cl)ccc([C@@H](C)[C@@]2(C#N)CCCSC2)c1Cl 2353187060 VCGDYRKWFKYAGC-IAQYHMDHSA-N 314.281 5.442 30 10 DKEE CCN[C@@H](CC#CC(C)(C)C)c1c(Cl)cc(F)cc1Cl 2366398653 BRNZFSXJKCMQBL-AWEZNQCLSA-N 316.247 5.223 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1cc(Cl)ccc1Cl 2370483039 QPICSZQAFFUKSA-DLBZAZTESA-N 314.300 6.027 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(-c2cccs2)s1 2370492015 RSVSLQLBVIMTTO-IRXDYDNUSA-N 305.512 5.730 30 10 DKEE CCCCCCCC(=O)[C@@H](O)c1cc(F)c(Cl)cc1Cl 2377331756 KPHDDNZKWAPETP-HNNXBMFYSA-N 321.219 5.096 30 10 DKEE N#Cc1cnc2ccccc2c1Nc1cc(Cl)cc(Cl)c1 36913186 PKECZIGFNNTHHI-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCCCCCC(=O)OCc1ccccc1C 59191478 JXQMYUYKZHPZIX-UHFFFAOYSA-N 304.474 5.959 30 10 DKEE CCCCCCCCSC1(Cc2ccc(C)cc2)CCCC1 100000780 MLYVYIUWSPJAHU-UHFFFAOYSA-N 318.570 6.944 30 10 DKEE CCCCCCCCCc1nnc([C@@H](CC)NCCC)s1 116085985 DJZSYUHGBCISCE-OAHLLOKOSA-N 311.539 5.282 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(Br)o1 125000386 ABFKKXUCYSZOMC-CYBMUJFWSA-N 316.283 5.443 30 10 DKEE N#Cc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1 127981351 RKPHPUPVFLCNEG-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1ccc(Cl)cn1 129596107 QGGYLRVZUUUABY-KRWDZBQOSA-N 310.913 5.916 30 10 DKEE CCSc1cccc(Oc2c(C)cc(Cl)cc2C)c1C#N 136702718 XNUPJSPFXQKXEQ-UHFFFAOYSA-N 317.841 5.733 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)c1snnc1C 143494525 RJGPHZJUFSLJHR-MRXNPFEDSA-N 311.539 5.418 30 10 DKEE CCCCCCCC[C@@H](Cc1ccc(CC)s1)NCCC 161115375 HQKYPBNZWFMGFT-KRWDZBQOSA-N 309.563 5.972 30 10 DKEE Cc1cc(C)c(C=Nc2ccc(OC(F)(F)F)cc2)c(C)c1 263631494 PZJSCYHWXNVHIM-UHFFFAOYSA-N 307.315 5.261 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)C2CC2)C1 384360414 LZWYAIYILLIWPH-GGPKGHCWSA-N 310.485 5.006 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 387660930 NFRZZEXEXYSEDY-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CCCCCCCCC[C@H](O)Cc1ccc(Br)o1 393533966 OJHRPABZJSSSEB-ZDUSSCGKSA-N 317.267 5.086 30 10 DKEE CCCCCCCCNCc1cccc(Br)c1F 394923945 ZSLGJNLFCZRWSE-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE N#Cc1ccc(CSc2cc(Cl)ccc2Cl)cc1F 404770153 YWFWRMGDXOIILF-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE Fc1c(F)c(F)c(-c2ccccc2C(F)(F)F)c(F)c1F 514256296 KIJSPTKVGVUFDZ-UHFFFAOYSA-N 312.159 5.068 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 697423391 OCJUTMVXGJDWKO-QGZVFWFLSA-N 319.445 5.204 30 10 DKEE CCC(C)(C)C(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 701268996 VBLQCHJYFMWPQW-RAXLEYEMSA-N 317.429 5.052 30 10 DKEE CC(C)(C#N)CCn1ccc2c(OCc3ccccc3)cccc21 720929116 NSNHJFHGLVECOY-UHFFFAOYSA-N 318.420 5.160 30 10 DKEE CCCCCCC[C@H](O)CCc1cc(Cl)cc(Cl)c1 722129831 NLNUSDKQEQOXOT-INIZCTEOSA-N 303.273 5.647 30 10 DKEE Fc1ccc(C(F)(F)F)cc1-c1cccc(C(F)(F)F)c1 1848367990 AFGFUJSAGHSORZ-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCCCCCCCCCNC(=O)CCc1ccccc1C 1859577489 CQJFTEFNDJOAKK-UHFFFAOYSA-N 303.490 5.185 30 10 DKEE CCCCCCCC(=O)c1cc(C)sc1Br 1940023064 FXTBVGGECBRSPO-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1OCc1ccccc1 1977451051 OUBRBCMOQWOIFB-FMWKFLBASA-N 315.501 5.095 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1 2026018415 ZJQCXZUOXQNLMA-JOCHJYFZSA-N 323.480 5.792 30 10 DKEE CC#CCCC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2073669536 JBNAXTDZBHOLBK-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1cc2cccc(Br)c2o1 2102109796 BKEIFVMNYKAQHT-IAQYHMDHSA-N 322.246 5.058 30 10 DKEE C[C@H](Nc1cc(C#N)ccc1Cl)c1ccc(Cl)cc1F 2151941052 ULHCCAHYJYZINA-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCC(CS)(CCC)CN1CCCC[C@H]1C(C)(F)F 2160122745 MCSCAXDQUNFTOR-AWEZNQCLSA-N 307.494 5.013 30 10 DKEE C=C(F)C[C@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 2182510076 AFOXVJVGSJMBEI-ZDUSSCGKSA-N 309.734 5.273 30 10 DKEE CCCCCCCCCN1CCCSC[C@@H]1C(F)(F)F 2195535743 SFQQKRJETLGIAT-CQSZACIVSA-N 311.457 5.107 30 10 DKEE C=C([C@H](NC)c1ccc(-c2ccccc2)s1)[Si](C)(C)C 2206187416 PZFJIMUDMIFTJZ-KRWDZBQOSA-N 301.531 5.109 30 10 DKEE C=CCCCCCCCCC(=O)[C@H](O)c1ccc(Cl)s1 2207381013 FGMAQUSULAIKGL-INIZCTEOSA-N 314.878 5.311 30 10 DKEE C=CCCCCC[C@@H](O)c1sc(C)c(Br)c1C 2213744082 VHVBYHSIRHRXLX-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE CCCCCCCC[C@H](C)Nc1cncc(Br)c1 2223848440 OWNLORWKYRWMHW-ZDUSSCGKSA-N 313.283 5.395 30 10 DKEE CCCN[C@H](C#Cc1cccc(Cl)c1)c1cc(Cl)cs1 2239466360 DRYFCYABLUUMCJ-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE C=C(CC)C[C@H](N)c1c(Cl)cc(Br)cc1Cl 2243539194 SAELZYGCICICKF-NSHDSACASA-N 323.061 5.112 30 10 DKEE CCCCCCC[C@H](NCCC)c1cocc1Br 2258115414 XFLXYPJKZFASEE-HNNXBMFYSA-N 316.283 5.443 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(Cl)cc1C(F)(F)F 2287409000 PADBOJBZRHMBOH-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE N[C@H](CC#CC1CCCC1)c1ccc(-c2cccs2)s1 2289905903 WAVGLEOGONTEPS-CQSZACIVSA-N 301.480 5.060 30 10 DKEE CCCCCCCCCC[C@](C)(CSC)OCCCN 2294562980 RIQXUTJUXJGQSP-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE Cc1cc(NC[C@H](C#N)c2ccccc2)c(Cl)cc1Cl 2294710073 AKSHOFCMNHBJDZ-ZDUSSCGKSA-N 305.208 5.021 30 10 DKEE C#CCN(Cc1ccccc1)C[C@H](c1ccccc1)C1CCCC1 2303147205 MEKAXEIBKFAELG-HSZRJFAPSA-N 317.476 5.096 30 10 DKEE C[C@H]1CC[C@H](CSCCCCCCCCCS)CC1 2335255855 AHWUYSGIKQOHNU-QAQDUYKDSA-N 302.593 6.206 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339150403 OTKCRJCDUGOCEU-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE C#CCSc1ncnc2scc(-c3ccc(C(C)C)cc3)c12 75321122 SNCCYCUDCLUWAX-UHFFFAOYSA-N 324.474 5.207 30 10 DKEE CC(C)c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 100033358 ATIAXGKQCMUQAV-VCHYOVAHSA-N 302.761 5.122 30 10 DKEE C=CC[C@H](CC)c1cc(Cl)c(OCCC)cc1OCCC 107676733 VOHMDNMHNIORBN-AWEZNQCLSA-N 310.865 5.987 30 10 DKEE CCCCCCCCCCCC(=O)N1CCc2ccccc2C1 108873632 KPASXHBYUHWHLV-UHFFFAOYSA-N 315.501 5.492 30 10 DKEE CCCCCCC[C@](C)(NC(C)C)c1nc(C(C)C)cs1 109690801 BYYFILRATQEYLP-SFHVURJKSA-N 310.551 5.840 30 10 DKEE CCCCCCCCCCOc1ccc(C(=O)O)cc1Cl 109970964 NQYQPEVAYHZBRB-UHFFFAOYSA-N 312.837 5.558 30 10 DKEE CCCCCCCCCNc1ccc(Br)cc1F 110155825 BCQOJTJOFWPULB-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc2c(s1)CCCCC2 122351658 JSBXUKBZCKBEDF-MRXNPFEDSA-N 308.535 5.272 30 10 DKEE CCCCCCCCOCc1cc(F)cc(Br)c1 124836610 QGJKBQVROYXIGU-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE CCCCCCCC[C@H](N)c1cc(F)ccc1Br 159111281 MAKUKUUDFCQQNP-HNNXBMFYSA-N 316.258 5.339 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(Br)c(C)c1 229753651 UWCVNNSPABLLNY-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCC(=O)C(C(F)(F)F)C(F)(F)F 232927097 CKTLDCJXACXNDR-UHFFFAOYSA-N 306.290 5.437 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(C)ccc1Br 234456836 ZNHNHUVDSNGNGF-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1ccc(Cl)cc1Cl 379908179 MWETXORLEKMNJN-MRXNPFEDSA-N 312.284 5.474 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(C(F)(F)F)s1 394821322 CWQZQCNCSWOSBM-GFCCVEGCSA-N 308.409 5.941 30 10 DKEE N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 514261058 BIXKFWATILADKE-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 710815432 XFHVUDWQXSYSBV-IBGZPJMESA-N 322.493 5.419 30 10 DKEE C=CCCCCCC(=O)c1ccc(Cl)cc1C(F)(F)F 712598871 QTDATOMISQGRGL-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE C=C1CCC(C[C@@H](NCCC)[C@H](C)OCc2ccccc2)CC1 724616563 MPSZUCGSPASJCX-GHTZIAJQSA-N 315.501 5.096 30 10 DKEE c1ccc(C(N=C2C3CC4CC(C3)CC2C4)c2ccccc2)cc1 725238914 HIWDQFGNWNHYMQ-UHFFFAOYSA-N 315.460 5.673 30 10 DKEE C=C(C)CSc1nc(-c2ccc(OCCC)cc2)cs1 1860803389 USMNNOPKLPIZRE-UHFFFAOYSA-N 305.468 5.267 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CCC)CC(C)C 1922071340 JSXHQJDGKYVTEC-LEWJYISDSA-N 317.517 5.200 30 10 DKEE CCCCCCCCC[C@@H](N)c1ncc(Br)s1 1948936377 CTTMSZPOGYREHB-LLVKDONJSA-N 319.312 5.046 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C(C)(C)C)cc1 1975572063 YGFOZHAKGVABSP-IBGZPJMESA-N 316.445 5.065 30 10 DKEE C=CCCN(Cc1ccccc1)CC1CC(C)(C)CC(C)(C)C1 1994023017 LWXKRJMYYIBZFN-UHFFFAOYSA-N 313.529 5.917 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(Cl)cc2Br)CC1 2010604623 HDBPSFVKKZCIBP-SECBINFHSA-N 313.622 5.032 30 10 DKEE CCCCCCCCNc1cc(Br)c(C)cc1N 2040757965 SZGIQZAKKSQIHB-UHFFFAOYSA-N 313.283 5.112 30 10 DKEE Cc1c(Nc2cccc(C#N)c2)ccc(Br)c1Cl 2082802387 PLLQJWMJXWKZSV-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCC#CC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2083434142 PLSPEGBZWYFINN-GFCCVEGCSA-N 304.648 5.230 30 10 DKEE C#CCCC[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107948930 LYHKTLNXEBHSIN-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE CC#CC[C@@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2164104144 GDQSBBHHHAHBHN-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE Cc1cc([C@H](O)[C@]2(C#N)CCCC(C)(C)CC2)sc1Cl 2165373648 POQZXBSSBDHAOT-XJKSGUPXSA-N 311.878 5.244 30 10 DKEE C=CCCCC[C@@H](CSc1cccc(Cl)c1)NCCC 2179684008 ZOTDYPZGVANUPC-INIZCTEOSA-N 311.922 5.547 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H]1CCCCC1(F)F 2197025147 PYPTUTXCTRFDCF-AWEZNQCLSA-N 307.494 5.013 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(Cl)cc1CCN 2206894458 KFCVOZRHROCQPY-UHFFFAOYSA-N 316.272 5.010 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1ncc(Cl)s1 2207449684 RNSPRVKORZSWHD-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)cc(Cl)c1Cl 2220114940 YXJCFOFFERCUAI-ZDUSSCGKSA-N 309.664 6.041 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(F)ccc(Cl)c1F 2235520316 YEJYCAIDVCRXPB-AWEZNQCLSA-N 301.808 5.535 30 10 DKEE N#Cc1cccc(F)c1Nc1ccc(OCc2ccccc2)cc1 2247131420 DWXZSMFODLXHAK-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE C=C(Cl)COc1c(Cl)cc(CN[C@@H](C)CC)cc1Cl 2278764554 NTOYAAOITAGRIG-JTQLQIEISA-N 322.663 5.013 30 10 DKEE C=CCCCCCCCSc1ccc(Cl)cc1C(=O)O 2287082040 BJCIYEWDZAKIGR-UHFFFAOYSA-N 312.862 5.657 30 10 DKEE CN=C1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 2293777703 MGBVAZJASCWJGJ-LBPRGKRZSA-N 304.220 5.338 30 10 DKEE O=C(C=CC=Cc1cccs1)c1ccc(-c2ccccc2)cc1 2296887536 WCTZBWNWOPAPJA-UHFFFAOYSA-N 316.425 5.867 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Cl)cc(F)c1Cl 2344379347 XNBBHNIFHRIYHU-CABCVRRESA-N 304.236 5.385 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cccc(Br)c1 2344395168 ICNQLQHFEILQSI-IAGOWNOFSA-N 324.306 5.482 30 10 DKEE FC(F)(F)c1ccc(OC[C@H](CS)C2CCC2)c(Cl)c1 2366820658 XRZITBJRJOPFPL-SNVBAGLBSA-N 324.795 5.084 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1c(Cl)cccc1Cl 2370480995 ABRPGJUKSQOLAP-DLBZAZTESA-N 314.300 6.027 30 10 DKEE N#Cc1ccccc1OCc1c(Cl)ccc(Cl)c1Cl 11993713 FUGVQUDJFJZONT-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(C(C)(C)C)cc2)C1 37156498 RRTUDLPOEMPMOD-RVKKMQEKSA-N 301.499 5.795 30 10 DKEE CC(C)c1ccc(Nc2c(C#N)cnc3ccc(F)cc23)cc1 64438658 CIQCXTDKLFDCCN-UHFFFAOYSA-N 305.356 5.113 30 10 DKEE Cc1cc(C(=O)/C=C/c2ccc(Cl)cc2)c(C)cc1Cl 83194309 VBJCACJYGOJQPU-VMPITWQZSA-N 305.204 5.506 30 10 DKEE CC(C)(C)c1ccccc1OCC1(CS)CCCCCC1 94582462 AZNAIKZYKOICAQ-UHFFFAOYSA-N 306.515 5.633 30 10 DKEE CCCCCCCCCNc1ccc(-c2ccc(C#N)cc2)cc1 103008622 FWLBCWRHDZXGQV-UHFFFAOYSA-N 320.480 6.388 30 10 DKEE CCCCCCC[C@H](N)c1cc(C)c(Br)c(C)c1 158693654 RSFKKVCUQOBOOI-HNNXBMFYSA-N 312.295 5.426 30 10 DKEE CCCCCCCCC[C@H](O)c1cc2cc(Cl)ccc2o1 159354742 WFIYBQBLYBXTTB-INIZCTEOSA-N 308.849 6.260 30 10 DKEE CCCCCCCCC[C@H](NCC)[C@H]1SCCS[C@H]1C 162268210 GNQCIUYBFHURAG-ULQDDVLXSA-N 317.608 5.342 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(C)cc2)C1 222243574 QWOOKFSVXJCGCH-NUJGCVRESA-N 301.499 5.832 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc(C)cs2)C1 222260699 JSQXCXFHKVOSTF-MCIONIFRSA-N 308.516 5.288 30 10 DKEE CC1(CNc2ccc(Br)c(C#N)c2)CCCCCC1 690205577 UDBFAIQIYRBODR-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)cc(F)c1F 690888531 YFDIDLLINAONCV-OAHLLOKOSA-N 303.824 5.629 30 10 DKEE CCC[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698419580 OAZRZLNHZJPBFZ-PBHICJAKSA-N 316.445 5.065 30 10 DKEE CC/C(=N\OCc1ccccc1Cl)c1ccc(Cl)cc1 821218842 BREVNNXWQZHHGB-KNTRCKAVSA-N 308.208 5.324 30 10 DKEE O=C1/C(=C/c2cc(Cl)cc(Cl)c2Cl)Nc2ccccc21 1088707370 HVAVUDXQURKKJF-MLPAPPSSSA-N 324.594 5.296 30 10 DKEE O=[N+]([O-])c1cccc(N=Cc2cccc(-c3ccccc3)c2)c1 1772722080 FOSXYVJBTRLRQJ-UHFFFAOYSA-N 302.333 5.012 30 10 DKEE C=CCC(CC=C)Nc1ccc(Cl)c(Br)c1 1900998320 SSNDCBUHQLYLGX-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE C=CCCCCCN(C)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 1990822658 HXHKBDWZKKIFIJ-VQTJNVASSA-N 315.501 5.049 30 10 DKEE C=CC1(CNc2cc(Br)c(Cl)cc2C)CCC1 2023940938 SVRRLUBPHWNWPJ-UHFFFAOYSA-N 314.654 5.179 30 10 DKEE C=CCCCCCC[C@@H](NC)c1csc(Br)c1 2026019041 HEFONRGJCIHLJT-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C=CCC[C@H](C)C[C@@H](NCCC)c1ccccc1Br 2113420106 OVYIKSBDCYHEIE-WMLDXEAASA-N 324.306 5.482 30 10 DKEE C=CC1(C[C@@H](O)c2ccc(Cl)cc2C(F)(F)F)CCC1 2168030704 JFLZWPXVBHMZMO-CYBMUJFWSA-N 304.739 5.139 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(F)c(F)cc1Cl 2168655176 NCNGEVRARWEYGV-ZBEGNZNMSA-N 301.808 5.261 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1cccc(Cl)c1C(F)(F)F 2173290823 RSCUBNMOEOCFPC-GXFFZTMASA-N 305.771 5.222 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1cc(C)c(Cl)s1 2206904298 ZTFXBMUBYWEPST-HNNXBMFYSA-N 313.938 6.277 30 10 DKEE C=C(C)CCCC[C@H](N)c1cccc(Cl)c1Br 2250131333 JOMYYSBHNDARDL-ZDUSSCGKSA-N 316.670 5.239 30 10 DKEE CCCCCCCCOc1ccc(OC)c(Br)c1 2263532511 BBMVSNLEDHZTPP-UHFFFAOYSA-N 315.251 5.197 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1sc(Cl)nc1Cl 2278168119 BCWUXTKAPVHSRD-CQSZACIVSA-N 324.317 5.798 30 10 DKEE C=CCCCCCCCSCCNc1ccccc1Cl 2287078627 ISJSFBGYNWZRJJ-UHFFFAOYSA-N 311.922 6.012 30 10 DKEE N#Cc1ccc(SC2CC3(C2)CC2(CCC2)C3)cc1Cl 2289702895 DJSJMCZSRLURFB-UHFFFAOYSA-N 303.858 5.417 30 10 DKEE O=C(C=Cc1cccc(Cl)c1)C=Cc1cccc(Cl)c1 2295149693 AGUILNAYEDJFSM-UHFFFAOYSA-N 303.188 5.289 30 10 DKEE N#Cc1cc(Cl)ccc1OCc1cccc(Cl)c1Cl 2339306342 PDLUQEFJYGKSOW-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE Cc1c([C@@H](O)[C@@]2(C#N)CCCC2(C)C)ccc(Cl)c1Cl 2366024723 PTFVINLWMUZGDF-ZBFHGGJFSA-N 312.240 5.055 30 10 DKEE C=C1CC([C@@H](CCCc2cc(Cl)cc(Cl)c2)NCC)C1 2366842856 NORJBABSZFEXBS-QGZVFWFLSA-N 312.284 5.260 30 10 DKEE C[C@H](Nc1ccc(C(C)(C)C#N)cc1)c1ccc(Cl)s1 36922242 JQGTWXOZRWDWGD-NSHDSACASA-N 304.846 5.376 30 10 DKEE Clc1cccc(/N=C2/NC3(CCCCC3)CS2)c1Cl 53097769 CTDBOFHGGLBBLU-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OC[C@H](CS)C(C)(C)C 94584392 UEXVOSRZMURPRO-CYBMUJFWSA-N 314.922 5.743 30 10 DKEE CCCCCCCCC(=O)Nc1ccccc1Br 106102935 LKFQMVHZGSIMFX-UHFFFAOYSA-N 312.251 5.138 30 10 DKEE CCCCCCCC[C@@H](N)Cc1c(Cl)cccc1Cl 109733009 FJYKRBRTGZVWNE-CYBMUJFWSA-N 302.289 5.614 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Br)sc1C 114634776 LYKOJQXFBRCTJE-GFCCVEGCSA-N 305.281 5.213 30 10 DKEE CCCCCCCCC[C@H](O)c1c(Cl)cccc1Cl 114873871 KMICUEJPESPTNP-HNNXBMFYSA-N 303.273 6.168 30 10 DKEE CCCCCCCCCCCC[C@@H](N)[C@H]1CSCCS1 122624113 REAMCERWFYDBIL-IAGOWNOFSA-N 317.608 5.473 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ccc(Br)o1 162332220 JIVPXASAYRQHHL-CYBMUJFWSA-N 316.283 5.573 30 10 DKEE N#Cc1cc(Nc2ccc(F)cc2Cl)ccc1C(F)(F)F 164404206 GUOFGAZJBCPVMW-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCCC[C@@H](CCC(F)(F)F)NCC 169260367 VXFUAAJIBVFNLO-INIZCTEOSA-N 309.460 6.228 30 10 DKEE CCCCCCCC1CCC(c2ccc(C(C)=O)cc2)CC1 196143012 LHAPFXXKRZXCDR-UHFFFAOYSA-N 300.486 6.524 30 10 DKEE COc1ccc(/N=C/c2ccc3c(c2)CCc2ccccc2-3)cc1 207656243 QELUZBLSPJARMU-HZHRSRAPSA-N 313.400 5.211 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)/C=C\CCCCCC 380918586 VRRLBKVBZSQYFR-XUZQSEFNSA-N 307.478 5.491 30 10 DKEE N#C[C@@H](CNc1cccc(OCc2ccccc2)c1)C1CCCC1 397211329 XBYQYJYYYSBUNR-IBGZPJMESA-N 320.436 5.007 30 10 DKEE C=CCC[C@H](C)Nc1cc(Cl)c(Br)cc1C 698067078 CMJDZHORVHUGGL-JTQLQIEISA-N 302.643 5.178 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H](C)C1CCCCC1 698379963 SVPMESHRMUTBJJ-UXLLHSPISA-N 322.493 5.131 30 10 DKEE C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1)C(C)(C)C 698381350 KLLGRTNOVKYHCT-GOEBONIOSA-N 322.493 5.131 30 10 DKEE C(=Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cccs1 1084629504 CPZIOCYLFZUHCV-UHFFFAOYSA-N 303.390 5.042 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccccc1C(C)C 1982110692 YWYVHJUEERJAHX-QGZVFWFLSA-N 316.445 5.022 30 10 DKEE CCCCCCCCC=CCCCCCCCCCCCCC 2038073249 IGOWHGRNPLFNDJ-UHFFFAOYSA-N 322.621 8.994 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1ccc(Br)cc1 2053379589 AJJZQNXUMIEJGN-INIZCTEOSA-N 306.247 5.102 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 2096545627 NBLMYLWUBBKYTE-WBMJQRKESA-N 300.273 5.779 30 10 DKEE CCCCCCCC[C@H](NCC)c1nn(C)c(Cl)c1Cl 2150721875 FJIVTPGKOIABDE-LBPRGKRZSA-N 320.308 5.128 30 10 DKEE CC#CCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2196169338 BLBRFCRQNDVXEQ-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203957103 OKEVYCFGNBWHRQ-NHYWBVRUSA-N 312.240 5.386 30 10 DKEE C=CC[C@@H](C)OC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2238019565 YHWRWSAXGZFVST-WBMJQRKESA-N 316.272 5.015 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265989213 FNBYLIKTEZBCJT-GUYCJALGSA-N 324.306 5.435 30 10 DKEE CCCCOc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2324260541 UYCXHSDPTBITIK-UHFFFAOYSA-N 322.404 5.099 30 10 DKEE CCc1ccc(C=C2Oc3cc(O[C@@H](C)CC)ccc3C2=O)cc1 2324706706 URCBTYFVKSWKIF-AWEZNQCLSA-N 322.404 5.043 30 10 DKEE CCC(=NOCc1ccccc1Cl)c1ccc2c(c1)CCC2 2330276501 WHCUSFRQARTFJS-UHFFFAOYSA-N 313.828 5.160 30 10 DKEE CCCC(CS)(CCC)COC1CC(CCSC)C1 2344499614 AURBTGYKUPDQCL-UHFFFAOYSA-N 304.565 5.051 30 10 DKEE CCCCC1CCC(C(=O)Nc2sc(C)c(C)c2C#N)CC1 36685955 WETIKCCYWDDTMU-UHFFFAOYSA-N 318.486 5.172 30 10 DKEE N#Cc1cc(F)ccc1Nc1cc(C(F)(F)F)ccc1Cl 71670962 JPIGXWYEDJRGHP-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCOc1cccc(-c2cc(C#N)c(C(F)(F)F)o2)c1 77086227 IFLFAZGPJYGTNH-UHFFFAOYSA-N 309.287 5.016 30 10 DKEE COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc12 83204471 NYAQVOGEBJZBDI-XYOKQWHBSA-N 322.791 5.398 30 10 DKEE CCCCCCCCC[C@@H](O)c1cccc(Cl)c1Cl 114874100 LWAMKCQIEGKODH-OAHLLOKOSA-N 303.273 6.168 30 10 DKEE CCCCCCCC[C@H](CSc1cccc(Cl)c1)NC 117527377 YJMUZUUUNBKVMU-MRXNPFEDSA-N 313.938 5.771 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(F)c(F)c(F)c(F)c1F 158855002 GPOGOJGEMRTHJK-SECBINFHSA-N 309.322 5.543 30 10 DKEE CCCCCCCCNc1cc(Br)cnc1Cl 232941065 FRXABMVKEHLIIA-UHFFFAOYSA-N 319.674 5.270 30 10 DKEE CCCCCCCCCCNCCCN(C)Cc1ccccc1 302795864 FTXVCOWUZZACIC-UHFFFAOYSA-N 318.549 5.239 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)[C@@H](C)CSC 383394268 VCTQJDTZSFRTGV-ZWKOTPCHSA-N 301.584 5.885 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404319269 KOOMGXYSUINLQR-ZANVPECISA-N 317.647 5.531 30 10 DKEE CCCCCCC[C@H](O)c1cc(C(F)(F)F)ccc1Cl 406076474 RAXPZBPHZVOIOY-AWEZNQCLSA-N 308.771 5.753 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)C1(C)CCCCCC1 698403822 AIWNGCJYYYOBRV-HOTGVXAUSA-N 322.493 5.275 30 10 DKEE N#Cc1cc(C(F)F)c(SC(F)(F)F)c2sccc12 725291236 HZTDXGDZHFZUHA-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE N#Cc1csc2c(SC(F)(F)F)cc(C(F)F)cc12 725291407 NRQPFLJPXVIEJC-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE N#Cc1cc(Cl)cc(-c2cc(Cl)c(Cl)c(Cl)c2)c1 1848372974 TXFFDWDTMQSQDR-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC1(C)CCC[C@@](C)(Nc2cccc(Br)c2C#N)C1 1877824355 WFOKCAHRDSGCMX-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCC[S@](=N)(=O)c1c(Cl)cccc1Cl 1917888840 MPCWDHGQFFBNIX-SFHVURJKSA-N 308.274 5.369 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccc(F)cc2)s1)[Si](C)(C)C 1922986396 GQLGSZSQNAJYMS-MRXNPFEDSA-N 306.478 5.021 30 10 DKEE C=CCCCC[C@@]1(O)CCC(C)(C)C[C@H]1OCc1ccccc1 1984552502 BGXYYRZGBVKHFI-TZIWHRDSSA-N 316.485 5.259 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2csc(Br)c2)C1 2024825031 SPJNJKNESMGLRS-SMDDNHRTSA-N 312.276 5.163 30 10 DKEE C=CC1(CN[C@@H](C)c2ccc(C)c(Br)c2)CCCC1 2132981065 KNBDNWPBXJTNKQ-AWEZNQCLSA-N 322.290 5.155 30 10 DKEE CCCCCC#CC[C@H](NCC)c1snc(Cl)c1Cl 2138956280 JPJBCFJXKUHMMS-NSHDSACASA-N 319.301 5.074 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)c2ccc(Br)cc2F)C1 2141242528 PXUOIBPRATXDGX-OXJKWZBOSA-N 324.237 5.268 30 10 DKEE C=CCCCCCC[C@@](N)(CC)c1cccc(Br)c1 2141914124 OLYFEWOXYHASRM-KRWDZBQOSA-N 324.306 5.540 30 10 DKEE CSc1ccccc1[C@@H](C)Nc1ccc(C#N)cc1Cl 2152743836 KPDWKBWPXFLEAE-LLVKDONJSA-N 302.830 5.107 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(Cl)c2cccnc12 2164262732 HUOQHMMGIQBGTE-OAHLLOKOSA-N 309.240 5.072 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 2173290822 RSCUBNMOEOCFPC-GWCFXTLKSA-N 305.771 5.222 30 10 DKEE CCCCCCCCN(C)Cc1ccsc1C(F)(F)F 2195497497 YYCDZQMIXLVSOU-UHFFFAOYSA-N 307.425 5.559 30 10 DKEE C#CC[C@H](C)C[C@@H](NCCC)c1cc2sc(C)cc2s1 2196836776 MFYCWNDKOWLFJI-GXTWGEPZSA-N 305.512 5.361 30 10 DKEE CCCCCC#CCNc1ccc(Cl)cc1C(F)(F)F 2203785600 QFVBNJNDWQKRIP-UHFFFAOYSA-N 303.755 5.354 30 10 DKEE C#C[C@H](N[C@@H](CC)c1ccc(Cl)cc1Cl)C1CCCC1 2204038260 GHWFBZFHKUSZEV-IRXDYDNUSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCN[C@@H](C)c1cccc(Br)c1 2227272267 NNHNFCMULBWCJS-HNNXBMFYSA-N 324.306 5.626 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)s1 2227276773 UDFUIBUFVWVPTQ-GFCCVEGCSA-N 321.317 5.476 30 10 DKEE CCCC#C[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2233780696 BOHWSLKTNPDBPE-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE N#C[C@H](C(=O)CC1CCCCC1)c1cc(Cl)ccc1Cl 2234053128 GJDXFMFPUIYCMH-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE CCCCCCCCCOCc1cc(Cl)cc(Cl)c1N 2239487779 UEFMPJRNYBAJPN-UHFFFAOYSA-N 318.288 5.843 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1c(F)cccc1Cl 2240621080 CMZQVECXDBUSGR-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE CC(C)(C)C#CC=CCc1c(Cl)cccc1Br 2248457514 COHOMVVXMNQIQB-UHFFFAOYSA-N 311.650 5.251 30 10 DKEE C=C(C)CCCCC(=O)c1c(Cl)cccc1Br 2250137254 YAODYJKETHEFJN-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE Cc1cc(C)c(NCC=CC#CC(C)(C)C)c(Br)c1 2268825148 SHRPBZXNPHZJRT-UHFFFAOYSA-N 320.274 5.084 30 10 DKEE CCCCCCCCCCOc1cc(Cl)sc1C=O 2272661335 XUAGPBZNMLFADP-UHFFFAOYSA-N 302.867 5.734 30 10 DKEE CCCCCCCCC[C@H](C)NCc1ccc(Cl)s1 2278233206 GPMPEYCMGNMVIN-AWEZNQCLSA-N 301.927 6.020 30 10 DKEE C=CCCCCCCCSc1ccc(C(=O)O)cc1Cl 2287078378 HSMOLCDADRTQPX-UHFFFAOYSA-N 312.862 5.657 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(OCc2ccccc2)c1 2304041780 QGPCLQGYENINPJ-YADHBBJMSA-N 323.480 5.519 30 10 DKEE CC(C)[C@H](CC#N)C(=O)c1c(Cl)ccc(Cl)c1Cl 2317075061 YTRAEYSZEWFGEU-QMMMGPOBSA-N 304.604 5.015 30 10 DKEE CC(C)(C)[C@@](C)(CS)COc1cc(Cl)ccc1Cl 2327164931 FELXTDLTJWPMQM-CQSZACIVSA-N 307.286 5.354 30 10 DKEE CC1(C)CC(CS)(COCc2ccc(Cl)cc2Cl)C1 2345007776 GFAJNYXJAGYDMU-UHFFFAOYSA-N 319.297 5.246 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1)c1c(Cl)cccc1Cl 36930442 JRSOZMXGFBGAJG-NSHDSACASA-N 324.594 5.137 30 10 DKEE CCOc1c(C)cc(C)cc1C(=O)/C=C/c1c[nH]c2ccccc12 83193829 SEOOMRJUZWVSTC-MDZDMXLPSA-N 319.404 5.080 30 10 DKEE CC1(C)CCC[C@@](C#N)(Nc2ccccc2Br)CC1 86914249 PQBPLDMFPGEXGV-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CCCCCCCCNc1ccc(OCc2ccccc2)cc1 100033286 VSDVTDXFTHOYPV-UHFFFAOYSA-N 311.469 6.038 30 10 DKEE Cc1ccc(/N=C\c2ccccc2OCc2ccccc2)c(C)c1 103782143 QBKVOAGXSFRFNA-HAHDFKILSA-N 315.416 5.633 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(Br)s1 114419465 PYVBSOMWKXODGQ-NSHDSACASA-N 305.281 5.295 30 10 DKEE N#Cc1ccc(N[C@H]2CCc3sc(Cl)cc32)cc1Cl 129514568 PHUCWNQQVXKGOL-LBPRGKRZSA-N 309.221 5.026 30 10 DKEE CCCCCCCCCOc1ccc([C@H](C)NC)cc1Cl 130613685 UBXLLWCMQHOGAJ-HNNXBMFYSA-N 311.897 5.750 30 10 DKEE C=C(CC)CC(=O)c1ccc2cc(Br)ccc2c1 167854575 LBAIPCRQYOPSJS-UHFFFAOYSA-N 303.199 5.141 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC[C@H]1C 384851671 LBGHTROMAGGPMX-WWGRRREGSA-N 306.247 5.273 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc2cscc2s1 694330225 HWLSHSJTCGUOQS-OAHLLOKOSA-N 309.544 6.493 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC12CCCC2 698965491 PSPPRJCXHBJQRF-LJQANCHMSA-N 320.477 5.030 30 10 DKEE c1ccc(C(O/N=C(/c2ccco2)C2CC2)c2ccccc2)cc1 821233934 LMDONIQCMDVUHM-LSDHQDQOSA-N 317.388 5.200 30 10 DKEE Clc1cccc(C=Nc2ccc3ccccc3c2)c1Cl 1084569510 CGPXOCAXLRCQFR-UHFFFAOYSA-N 300.188 5.897 30 10 DKEE CCCCCCCC[C@H](C)N(Cc1ccccc1)[C@H](C)C(=O)O 1902382481 CRSHTNOCNIQAME-ZWKOTPCHSA-N 319.489 5.101 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Cl)c(F)c1F 1923376601 UXIBXWGGTVPAGH-CQSZACIVSA-N 304.808 5.792 30 10 DKEE CCCCCCC[C@@H](O)c1sc(Br)cc1C 1939443997 KHXLTGGATJQOSG-LLVKDONJSA-N 305.281 5.213 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](C)c1ccc(C)c(Br)c1 2043820025 DNPCVTACODYCRQ-UONOGXRCSA-N 310.279 5.153 30 10 DKEE Clc1ccc(C=Nc2ccc3ncccc3c2)c(Cl)c1 2059876171 FNJBEKVORQNVRA-UHFFFAOYSA-N 301.176 5.292 30 10 DKEE CCCCCCCCCOCc1ccc(Br)cc1 2080313728 GSAZAWDALJIHCV-UHFFFAOYSA-N 313.279 5.716 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(Br)ccc1C 2085838927 JEIRXLNUEBBZJU-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cc(Cl)cs1 2102387200 AUZQDMZIKUNAGQ-AWEZNQCLSA-N 302.915 5.437 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1scnc1Cl 2108006588 NTFWZVGLJDFBEH-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1ccc(OC)c(Br)c1 2108208277 VEGOMGHBEZTOKN-INIZCTEOSA-N 324.262 5.110 30 10 DKEE CCCCCCCCCCC(=O)c1snc(Cl)c1Cl 2110892452 BTXVHOGUWVBGAU-UHFFFAOYSA-N 322.301 6.163 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCCC(C)(C)C1 2112230498 CQDYJYDEZUTZKX-KRWDZBQOSA-N 320.274 5.410 30 10 DKEE CCCCCCCCCCCCC(=O)c1ccsc1Cl 2163956499 CKDRZHLQZULXGP-UHFFFAOYSA-N 314.922 6.895 30 10 DKEE C=C([C@H](NCC)c1cc(-c2cccs2)cs1)C(C)(C)C 2164126466 IOEAMHNEPZIEHF-INIZCTEOSA-N 305.512 5.730 30 10 DKEE CCCC[C@](C#N)(CC)c1ncc(C(F)(F)F)cc1Cl 2164479200 ZVRVBLVKNQEDPA-ZDUSSCGKSA-N 304.743 5.115 30 10 DKEE CN(CCCCCCCCCS)[C@H]1CCCC(F)(F)C1 2168898838 YFBPAOBHNXMONN-HNNXBMFYSA-N 307.494 5.157 30 10 DKEE C#Cc1ccc(N[C@H](CC)c2ccc(Cl)c(Cl)c2)cc1 2177232892 YNZONKOKUYDUPR-QGZVFWFLSA-N 304.220 5.538 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2179250525 UNMLHXLVWNUQRO-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE C=CC1(CNc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCCC1 2189503462 NCFYLCPMILZSNO-UHFFFAOYSA-N 315.200 5.060 30 10 DKEE CCCCCCCCCCn1c(S)nc2c1CCSC2 2198283647 ITPBFBRHJBUMNZ-UHFFFAOYSA-N 312.548 5.102 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1ccc(-c2cccs2)s1 2205863273 FHANAIFBRXRYAQ-KGLIPLIRSA-N 303.496 5.484 30 10 DKEE C=C1CCC(Cn2c(S)nc3cc(Cl)c(C)cc32)CC1 2236872489 SHVGUUMFSBCVSN-UHFFFAOYSA-N 306.862 5.033 30 10 DKEE C=C(C)CCCCC(=O)c1c(Cl)ccc(Cl)c1Cl 2259185074 URKVMJHBPYUFQS-UHFFFAOYSA-N 305.632 5.966 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1ccc(Br)cc1C 2271792776 XGRZLSFUYODWAB-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=CCC(CC=C)C(=O)c1c(Cl)ccc(Cl)c1Cl 2316706188 NSZUUBFYGAYUTG-UHFFFAOYSA-N 303.616 5.598 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1ccc(Cl)cc1Cl 2362234204 FVVVIGJAFLFBAL-DQYPLSBCSA-N 312.284 5.779 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1cc(C2CC2)ccc1Cl 2363399749 JTEPVHUYLVHUJR-UHFFFAOYSA-N 303.192 5.486 30 10 DKEE C=CC[C@@H]1CC=C[C@@H](C)N1Cc1nc(-c2ccc(C)cc2)oc1C 12076472 MTFVZLPVIHLNQS-VQIMIIECSA-N 322.452 5.054 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1CNC1CC1 59178796 QCWWIJBHURBSSW-UHFFFAOYSA-N 309.881 5.331 30 10 DKEE CCCCCCCC(=O)Nc1cc(SCCC)ccc1N 59322958 MCCPNDQHLSMFBU-UHFFFAOYSA-N 308.491 5.070 30 10 DKEE C=C(C)COc1ccc2ccccc2c1CN[C@@H]1CCC[C@@H](C)C1 66117376 XOSSRBQEIARKSK-IEBWSBKVSA-N 323.480 5.463 30 10 DKEE CCCCCCCCNCc1cccc(OCCCCCC)c1 100048801 KKXBKIYYJNEBCP-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE CCCCCCCOc1ccccc1CCCNC1CCCC1 106534477 DSCBQARWHLEYTE-UHFFFAOYSA-N 317.517 5.501 30 10 DKEE CCCCCCC[C@@](C)(NC(C)C)c1nc(C(C)C)cs1 109690804 BYYFILRATQEYLP-GOSISDBHSA-N 310.551 5.840 30 10 DKEE CCCCCCCCCC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 115654543 VVLNNSSZBUGUEV-JKSUJKDBSA-N 308.428 6.001 30 10 DKEE CCCCCCCCCC[C@@H](NN)C1CCC(F)(F)CC1 122676463 MVELERUTTWIIDB-MRXNPFEDSA-N 304.469 5.175 30 10 DKEE CCCCCCC[C@H](NC)c1csc(Br)c1 139659944 HHXRFVJHSRVUCQ-LBPRGKRZSA-N 304.297 5.132 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(Br)cc1C 158977050 GIKSIMOBWPRFQL-MRXNPFEDSA-N 312.295 5.508 30 10 DKEE CCCCCCCCN[C@H](C)c1ccccc1C(F)(F)F 159143628 RKLVRYVQDPKJRF-CQSZACIVSA-N 301.396 5.717 30 10 DKEE CCCCCCCCCCCC(=O)c1cc(C)c(Cl)s1 226654493 ZMDGKXRZNIMZKW-UHFFFAOYSA-N 314.922 6.814 30 10 DKEE CCCCCCC[C@@H]1C[C@H](NCC)c2cc(Cl)ccc2O1 229196216 LZZFSLSDTLMPBK-WBVHZDCISA-N 309.881 5.502 30 10 DKEE C=C(CNc1ccccc1OCc1ccccc1)c1ccccc1 383996776 GTWULLIOUOSPCZ-UHFFFAOYSA-N 315.416 5.391 30 10 DKEE CCSc1cccc(Nc2cccc(SC)c2C#N)c1 690135253 KLBIWWNVUBVDKC-UHFFFAOYSA-N 300.452 5.136 30 10 DKEE CC1(C)CCC(C#N)(CCc2cc(Cl)cc(Cl)c2)CC1 722121611 XLKUKFXPZMPRJJ-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE CCCCCCC[C@@H](N)c1sc(C)c(Br)c1C 724909372 NIQWPUMWYNFAGT-GFCCVEGCSA-N 318.324 5.488 30 10 DKEE C=CCC[C@@H](C)N[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1258717852 WHWJSHGOMLTKAV-CABCVRRESA-N 318.461 5.039 30 10 DKEE N#Cc1ccc(Cl)cc1-c1ccc(Cl)c(Cl)c1Cl 1848372744 CNZRMRLMHYULFZ-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(-c2ccccc2C)cc1 1866090301 ZPXPJIRFYCJAOM-UHFFFAOYSA-N 323.480 6.351 30 10 DKEE CCCCCCCCC[C@]1(N)C[C@@H](C)Sc2sccc21 1920209646 QKBYVAHCMYZLPL-PBHICJAKSA-N 311.560 5.927 30 10 DKEE C=CCCCCCCCCC[C@H](N)[C@H](C)OCc1ccccc1 1995328575 STNYYIUMQIKFNX-FPOVZHCZSA-N 317.517 5.616 30 10 DKEE CCCCCCCN(C)Cc1cccc(C)c1Br 2075949841 VQYIGURGJOHQOK-UHFFFAOYSA-N 312.295 5.160 30 10 DKEE C[C@@H](Nc1cc(Br)cc(C#N)c1)C1CCCCCC1 2116849514 LNONWLPTRQQIMF-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE C=CC[C@@](C)(N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(F)F 2125764615 XTFSPVGJGIEAFB-LKFCYVNXSA-N 308.199 5.244 30 10 DKEE CCCCCCCC[C@@H](O)COc1ccc(Cl)cc1Cl 2152448630 YOOTUYGGAJEDFR-CQSZACIVSA-N 319.272 5.484 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc2sc(C)cc2s1 2156532505 ACORLOBQZLXWJN-CQSZACIVSA-N 309.544 6.282 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2158320373 LFMSCKGLRYBBLD-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE CCCCCCCCCC(=O)c1c(F)ccc(Cl)c1F 2164067591 VZHDWFIEVTWNGU-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE C=C(C)[C@H](NCCC)c1ccc(-c2ccccc2Cl)s1 2164220018 IFGHCXDAUWMXHY-KRWDZBQOSA-N 305.874 5.685 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1ccc(Cl)c(Cl)c1)C1CC1 2196849723 REOBRKQQSNCHKE-CXAGYDPISA-N 310.268 5.084 30 10 DKEE C[C@H](CC(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2203956789 MYWNDRAAGDGCGZ-YGRLFVJLSA-N 312.240 5.242 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Cl)c(F)cc1F 2206884157 FOGDIOHXOONQNA-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CCCCCCCOc1cc(Cl)c([N+](=O)[O-])cc1Cl 2226055552 GAEXMONNVVTRLV-UHFFFAOYSA-N 306.189 5.251 30 10 DKEE C=CCCCCCCCCOc1nc(Cl)c(C(C)=O)s1 2234030558 ZGDHJOMTZCQGKQ-UHFFFAOYSA-N 315.866 5.295 30 10 DKEE C=CCCC[C@H](N)c1c(Cl)cc(Br)cc1Cl 2243537822 FQQZBXZCTQZYIT-NSHDSACASA-N 323.061 5.112 30 10 DKEE C=C([C@@H](NC)c1sc(Cl)cc1Br)C(C)(C)C 2244968602 FPSKDQRWJOAQQU-SNVBAGLBSA-N 322.699 5.027 30 10 DKEE CCCCCCCCCC[C@@H](O)c1csc(Cl)c1OC 2284189194 AIYDOSCCKNDUPZ-CQSZACIVSA-N 318.910 5.974 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Cl)ccc1OC(F)F 2287382793 BRQZGPIJTXFIBV-CYBMUJFWSA-N 303.780 5.078 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1cc(Cl)sc1C 2294386700 QRXAMFQPKRQYMN-OAHLLOKOSA-N 317.926 5.477 30 10 DKEE CCCCCCCC[C@H](O)C(=O)c1cc2sccc2s1 2295407271 UZEZUKCNGOYKEE-LBPRGKRZSA-N 310.484 5.257 30 10 DKEE N#C[C@@H](CSCc1cccc(Br)c1)C1CCCC1 2318733109 ZBRZJROHAVRTOC-AWEZNQCLSA-N 324.287 5.012 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccc(Br)cc2)C1 2318738810 ZTBAIWACZVAPRA-ZLDLUXBVSA-N 324.287 5.011 30 10 DKEE C=CCC(C)(C)[C@H](Cc1ccc(Cl)cc1Cl)NCC 2344381152 UAUVRMWOSYDROT-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)ccc1[C@H](C)NCC 2360372483 UDIBWXZQGSKXQM-ZDUSSCGKSA-N 309.906 5.623 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1cc(F)c(Cl)cc1Cl 2377273497 RCMRMNIKPNHCLK-MRXNPFEDSA-N 321.263 5.787 30 10 DKEE O=C(/C=C\c1ccco1)c1ccc(Sc2ccccc2)cc1 33926766 CJZHCOYGPMWAEV-RAXLEYEMSA-N 306.386 5.327 30 10 DKEE C[C@H](Nc1ccccc1C#N)c1c(Cl)ccc(F)c1Cl 35790279 UMGLPRWALCOMFF-VIFPVBQESA-N 309.171 5.177 30 10 DKEE N#C[C@H](CCCc1ccccc1)c1ccc(Cl)c(Cl)c1 57687256 ZGDQPZSNPZBMTR-HNNXBMFYSA-N 304.220 5.623 30 10 DKEE Cc1ccc(N/C=C\C(=O)c2ccc(Cl)cc2Cl)c(C)c1 101418248 QQQBDXWGBSVQJT-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE Cc1ccccc1CS[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 110354967 AGRBXWFLOHQFTD-NJAFHUGGSA-N 301.499 5.583 30 10 DKEE C[C@@H](CC(=O)[C@H](C#N)c1c(Cl)cccc1Cl)C(C)(C)C 111650363 JEFWMPUKLIOLAP-QWRGUYRKSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCCC1(O)CCC(C(F)(F)F)CC1 115654466 FYVALBHWAAVKFQ-UHFFFAOYSA-N 308.428 6.001 30 10 DKEE CCCCCCCC[C@@H](CNC1CC1)c1ccc(Cl)cc1 118847172 XOJQHGPADQVVHO-KRWDZBQOSA-N 307.909 5.926 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccc(Cl)c(C)c1 122652933 RFAWDQQJFUEDOS-SFHVURJKSA-N 310.913 5.684 30 10 DKEE C[C@@H](Nc1ccc(F)cc1C#N)c1cc(Cl)ccc1Cl 126232331 HUSKENLIULBWHA-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCOc1ccc([C@@H](C)O)cc1Cl 132779761 VKVDPJVBRFHNRG-OAHLLOKOSA-N 312.881 5.913 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccncc1Cl 135567795 DKHUAPWGJXHQQE-GOSISDBHSA-N 311.897 6.079 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1cccc(F)c1Cl 157745435 LETBXENOIFAWDO-OAHLLOKOSA-N 300.845 5.523 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccccc1C#N 163066691 SUKMJSMICPAMHL-UHFFFAOYSA-N 300.446 5.418 30 10 DKEE C/C(=N\O)c1ccc(C)cc1OCc1ccc(Cl)cc1Cl 215513489 DMKOSXCQTRAQFW-YBFXNURJSA-N 324.207 5.079 30 10 DKEE C#C[C@]1(C)CC[C@@H]2[C@H]3CC=C4C[C@H](C)CC[C@]4(C)[C@@H]3CC[C@]21C 253594932 TWDJAFCDZVGTEL-WRDJTPOSSA-N 310.525 6.225 30 10 DKEE Cc1ccccc1N=Cc1ccc(OCc2ccccc2)cc1 254560118 OTGTYAOYDWKNML-UHFFFAOYSA-N 301.389 5.325 30 10 DKEE C=CCCCCNc1cc(Br)ccc1C(F)(F)F 311004128 KHQKIBOGXBHJFH-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE C[C@H]1CCC[C@@H](SCc2ccc(Br)cc2C#N)C1 311197201 ITUWVIAOYYTWRY-XHDPSFHLSA-N 324.287 5.133 30 10 DKEE CCC[C@](C#N)(Nc1ccccc1Br)C1CCCC1 313477686 LJESPXFDWLYLQN-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE N#C[C@@H](CCC1CCCCC1)Nc1ccc(Br)cc1 395177566 CSCKDAZJYFEWEE-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CC1(C)CC(=O)C=C(c2cc(C(F)(F)F)ccc2Cl)C1 406030202 MLCYOKRYMBEHOR-UHFFFAOYSA-N 302.723 5.131 30 10 DKEE CCCCCCCCC[S@](=O)CCCCOc1ccccc1 586376495 IXYFPGMEQVODMG-QFIPXVFZSA-N 324.530 5.345 30 10 DKEE C=C1CCC(CC(=O)c2ccc(C)cc2Br)CC1 724578745 GGZXRGGSFPROSH-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE COc1ccc(-c2csc(N=C/C=C\c3ccccc3)n2)cc1 1084200055 CSKMRFRKVMSVHQ-ASKRJIILSA-N 320.417 5.234 30 10 DKEE FC(F)(F)c1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1 1614730937 SFGHQIVLCBSDDA-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE N#Cc1c(Cl)cccc1-c1c(Cl)cc(Cl)cc1Cl 1848372951 RMZKJPXOWMACJE-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(F)cc1Cl 1892439567 SQUAVEJYBDTJOR-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE CCCCCCCCC[C@@H](N)[C@](C)(O)c1csc(Cl)c1 1920268834 HXFIIVNTWVLQDA-GDBMZVCRSA-N 317.926 5.077 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cscc1OCc1ccccc1 1934840173 XIMUKHYPKLJPBW-BEFAXECRSA-N 315.482 5.190 30 10 DKEE CC[C@@H]1CC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 1977419016 AULSKZZNEQNAQA-BEFAXECRSA-N 320.477 5.029 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cc(Br)c(Cl)s1 1978546993 DZDWUVLVKXMGTM-GZMMTYOYSA-N 322.699 5.027 30 10 DKEE CC1(C)CC=C(C(=O)c2cccc(OCc3ccccc3)c2)CC1 2010761832 DSZFIHADMAHEAA-UHFFFAOYSA-N 320.432 5.585 30 10 DKEE CC1=CCCC(C)(C)[C@H]1C=CC(C)=NNc1nc2ccccc2[nH]1 2040452304 ZHCIRJWDYUBSEP-INIZCTEOSA-N 322.456 5.289 30 10 DKEE Fc1ccc(NN=Cc2cccc(Oc3ccccc3)c2)c(F)c1 2069682098 OVUXTNGETHCWKA-UHFFFAOYSA-N 324.330 5.203 30 10 DKEE C=CCCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2075724393 LEPODFCPYRUAHV-GFCCVEGCSA-N 307.648 5.817 30 10 DKEE CCCCCCCC[C@H]1Nc2cc(Br)ccc2O1 2086285453 NZYSYJVHTNREQJ-HNNXBMFYSA-N 312.251 5.330 30 10 DKEE C=CCCCC[C@@H](N)c1ccc2cc(Br)ccc2c1 2123088527 KFZAWLFXISHCTL-QGZVFWFLSA-N 318.258 5.349 30 10 DKEE C=C1CC(C[C@H](NCCC)c2c(C)cccc2Br)C1 2125735731 NESPCRAXFYYFMH-INIZCTEOSA-N 322.290 5.155 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2cc3sccc3s2)C1 2205528565 BAJVRVWCNZLHAB-HOCLYGCPSA-N 305.468 5.106 30 10 DKEE CCCCCCCC[C@H](O)C(=O)c1cccc(Cl)c1Cl 2207444124 GYNXHJSGNXFAHN-AWEZNQCLSA-N 317.256 5.288 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(F)c(Cl)cc1Cl 2240657544 MMOXTTLOHXGSMY-GFCCVEGCSA-N 320.279 6.684 30 10 DKEE C=C(C)CCCCN(C)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2244628158 ZMYYAJJLWLMFLW-PMACEKPBSA-N 315.501 5.049 30 10 DKEE C=CCCC(C)(C)NCc1cc(Br)cc(C(C)C)c1 2265980215 ABSZJYBITQNHFC-UHFFFAOYSA-N 324.306 5.407 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1cc(Cl)cs1 2295683077 XKDSSRNIGNGPKI-JKSUJKDBSA-N 317.926 5.293 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cc(C)c(Br)c(C)c1 2321222769 CPBTWELBHHCWCX-HOTGVXAUSA-N 311.263 5.092 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](CC)c1ccc(Cl)c(Cl)c1 2362241015 SNXFBUZTWMBDDK-DQYPLSBCSA-N 312.284 5.779 30 10 DKEE O=C1/C(=C\c2cccs2)[C@H](c2cccs2)Oc2ccccc21 34722334 LVBBZMHMACEVDZ-GPZRYRNASA-N 324.426 5.210 30 10 DKEE O=C(/C=C\c1c(Cl)cccc1Cl)c1cc2ccccc2o1 96766996 VUDLXJMJPLSTHT-HJWRWDBZSA-N 317.171 5.636 30 10 DKEE O=[N+]([O-])c1ccccc1SCCCCCCCCCS 97800089 QVHGCCMWXWXSDG-UHFFFAOYSA-N 313.488 5.347 30 10 DKEE CCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1cccc(CC)c1 100964054 CCZINWJAVMHNRR-MJGOQNOKSA-N 301.474 5.574 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Br)cc1F 109753592 TUYRIUJEOKFIRV-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Br)c(C)c1 109753749 USOXPDVQLVZTRO-CQSZACIVSA-N 312.295 5.918 30 10 DKEE Cc1ccccc1CS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 110354964 AGRBXWFLOHQFTD-BPQIPLTHSA-N 301.499 5.583 30 10 DKEE CSc1ccccc1Oc1ccc(C(F)(F)F)cc1C#N 110981848 ZLOLFRSZBRGLMO-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE CCCCCCCCC[C@H](O)Cc1ccc(Cl)c(Cl)c1 112886963 YKOFRBBJFYYMGO-HNNXBMFYSA-N 317.300 6.038 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2cc(C#N)ccc2Cl)CC1 127813124 ZYYPBEDQZQSHSS-HUUCEWRRSA-N 304.865 5.619 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1ccc(Cl)cn1 129596297 QGGYLRVZUUUABY-QGZVFWFLSA-N 310.913 5.916 30 10 DKEE Cc1cc(Br)c(Nc2ccc(C#N)cc2)cc1Cl 131822872 HGKGWAQNEIPBMS-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCC[C@H](NC)c1cc2c(s1)CCCCC2 159071857 MQZWJDXOQRUSGD-KRWDZBQOSA-N 307.547 6.028 30 10 DKEE CC1CCC(C#N)([C@H](C)c2ccc(Br)cc2)CC1 302475248 GQDWYANWEHTWNA-MFOWVQHXSA-N 306.247 5.273 30 10 DKEE C=C(CNC(C)(C)C)CSc1cc(Cl)cc(Cl)c1 310774663 VHOOQCWJCXDRNR-UHFFFAOYSA-N 304.286 5.030 30 10 DKEE CCCN[C@H](C#Cc1ccccc1)c1cc(Cl)sc1Cl 315072993 HYFDLNREEHAATF-CQSZACIVSA-N 324.276 5.147 30 10 DKEE CCCCCCCCCCCC(=O)N(C)c1ccccc1N 316321674 FVAOQDGSXKALIU-UHFFFAOYSA-N 304.478 5.153 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccccc1OCc1ccccc1 390807105 LQIBLKBBQBXGFS-HXUWFJFHSA-N 309.453 5.273 30 10 DKEE CCCCCCCCn1ccc2cccc(Br)c21 703940051 OLAMVJHZXBASSV-UHFFFAOYSA-N 308.263 5.764 30 10 DKEE CCCCCCCCC[C@@H](O)c1oc(C)cc1Br 706286517 UQIOTFLLWPSUAN-CQSZACIVSA-N 317.267 5.525 30 10 DKEE CCCCCCCCC(=O)c1oc(Br)cc1C 716191026 KMMSJNAMRHSMAT-UHFFFAOYSA-N 301.224 5.284 30 10 DKEE Cc1ccc(C)n1-c1ccc(C=NNc2cccc(Cl)c2)cc1 1088691876 COEOLDYZHIMDLL-UHFFFAOYSA-N 323.827 5.194 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2oc(C)nc2c1 1859671068 HPPXWPWYHAHCNQ-UHFFFAOYSA-N 316.445 5.007 30 10 DKEE C=CCN(CC=C)/N=N/c1ccc(OCCCCCC)cc1 1860487395 XEDXZNAKMSISCH-FMQUCBEESA-N 301.434 5.318 30 10 DKEE C=C(COCc1ccccc1)C(=O)[C@@H](c1ccccc1)[C@@H](C)CC 1922076784 ICZWWDLJPRWSFT-LAUBAEHRSA-N 322.448 5.158 30 10 DKEE Cc1cc(Br)cc(C(=O)C2=CCC(C)(C)CC2)c1 2061175391 ZCMPRQKNLCRYKA-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE CC1(C)CC(=O)C=C(c2cc(Cl)c(Cl)cc2Cl)C1 2081436472 DVDFUNRBGMRNPH-UHFFFAOYSA-N 303.616 5.419 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1cscc1Cl 2207443361 ZMGGLROGMBNTKI-QGZVFWFLSA-N 313.938 6.359 30 10 DKEE C=CCCC[C@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2225906497 CAOOHAGFGUUAKB-VIFPVBQESA-N 303.189 5.058 30 10 DKEE FC(F)(F)CCCCOCCCCCCCCCS 2230055049 KVEDAOKJNAVMGG-UHFFFAOYSA-N 300.430 5.396 30 10 DKEE C[C@@H](CC(=O)[C@@H](C#N)c1cc(Cl)ccc1Cl)C(C)(C)C 2234053281 HRDVDOZZBFEEMT-GWCFXTLKSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCC(=O)[C@](C)(O)c1ccc(Cl)s1 2235532927 PGVZHHKIOPYOTM-INIZCTEOSA-N 314.878 5.095 30 10 DKEE CCNc1cccc(C#Cc2cc(Cl)cc(Cl)c2Cl)c1 2235577167 ORFVNTYHNZFWTA-UHFFFAOYSA-N 324.638 5.478 30 10 DKEE Cc1cc(Cl)cc([C@@H](C)Nc2cc(C#N)ccc2Cl)c1 2237995635 MBOVKRBARHLHEO-LLVKDONJSA-N 305.208 5.347 30 10 DKEE N#C[C@]1(CCCC(F)(F)C(F)(F)F)CCCC(F)(F)C1 2240429722 PXSIQBWHWNOFTL-VIFPVBQESA-N 305.237 5.074 30 10 DKEE CCCCCCCCc1nc2ccc(Br)c(C)c2[nH]1 2273680978 MVTFMCZXMLDCMB-UHFFFAOYSA-N 323.278 5.537 30 10 DKEE C=CCCCCCCCS[C@@H](C)CNCc1cccs1 2287067325 CFLIPROHVHNYDR-INIZCTEOSA-N 311.560 5.486 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1[C@H](C)O 2287188552 CTEFRWWHSZYIRJ-AWEZNQCLSA-N 312.906 6.012 30 10 DKEE Cc1ccc(C=C2Oc3cc(OCCC(C)C)ccc3C2=O)cc1 2324635853 LRBLMKBSWZTWNK-UHFFFAOYSA-N 322.404 5.036 30 10 DKEE CC(C)CC1CC(C#N)(Sc2ccccc2Br)C1 2328536202 JNKMMASVCPNWSI-UHFFFAOYSA-N 324.287 5.260 30 10 DKEE CCC(=NOCc1ccccc1Cl)c1ccc(CC)cc1 2330249316 UOUDKZKECRUSCQ-UHFFFAOYSA-N 301.817 5.233 30 10 DKEE N#C[C@H](NC1CCCCC1)c1c(Cl)ccc(Cl)c1Cl 2339179470 NHKKZRRWHLXXFU-LBPRGKRZSA-N 317.647 5.134 30 10 DKEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2cc(C)c(Cl)cc21 2362199460 CLLDQDUXSHAJPJ-SMDDNHRTSA-N 306.862 5.204 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)c(F)cc1CN[C@H](C)CC 2362430727 CMWKINQGTUHCTD-VXGBXAGGSA-N 315.885 5.424 30 10 DKEE CCN[C@H](C#Cc1cccs1)c1ccc(Cl)c(Cl)c1C 2364400324 VOQDVXLJNVDHSQ-OAHLLOKOSA-N 324.276 5.066 30 10 DKEE CC(C)(C)c1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc1 39842274 RGSTVSWKXJOTEZ-YVLHZVERSA-N 312.796 5.254 30 10 DKEE Cc1cc(C)c(C#N)c(Sc2ccc(Cl)c(Cl)c2)n1 88304046 BBUWZSHQOKKXLA-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE CCCCCCCCCCCC(=O)NCCC1=CCCCC1 109015138 DEELQYBHOXEUPY-UHFFFAOYSA-N 307.522 5.914 30 10 DKEE CCCCCCCC[C@H](NCC)c1c(F)cc(F)cc1F 115856631 AXEOUUCWLZLDFL-INIZCTEOSA-N 301.396 5.505 30 10 DKEE C=C(C)CC[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 164549039 CCEZYCQTZMKBRL-CQSZACIVSA-N 300.273 5.260 30 10 DKEE Cc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)cc1 169964015 LTTKGZRYMJQZOK-JAIQZWGSSA-N 321.449 5.181 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(C)c(Br)s1 234456611 LWUXHNLMRNWDDJ-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE CCCN[C@@H](CC#CC(C)(C)C)c1c(Cl)cccc1Cl 312211607 PUAMDCHAWMIRHJ-HNNXBMFYSA-N 312.284 5.474 30 10 DKEE N#Cc1cccc(OCCSc2cc(Cl)cc(Cl)c2)c1 312352570 IHGQQZJIGIRRSJ-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE Fc1cccc(-c2cc(C(F)F)ccc2C(F)(F)F)c1F 514255722 BSFXOFVWWUYYSP-UHFFFAOYSA-N 308.196 5.588 30 10 DKEE COc1ccc(Cl)cc1C#Cc1ccc(Cl)cc1Cl 587900347 MXWAJGGQBXSCND-UHFFFAOYSA-N 311.595 5.055 30 10 DKEE CCCCCCCC[C@@H](CCCOCc1ccccc1)NCC 719127479 CGHIXTXRPPJEGH-NRFANRHFSA-N 319.533 5.712 30 10 DKEE CCCCCCCC[C@H](Cc1scnc1Cl)NCC 722024572 RCSAPUBEPOMMPJ-CYBMUJFWSA-N 302.915 5.068 30 10 DKEE Cc1cc(C)cc(-n2c(C)cc(C=NNc3ccccc3)c2C)c1 725386342 FIRMDWLEAHOMCT-UHFFFAOYSA-N 317.436 5.157 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)C1CCCC1 1917947841 DDWUNTYSLHIDCX-HXUWFJFHSA-N 301.540 5.897 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 1920212297 NSLRCXNZEPTQKT-MRXNPFEDSA-N 320.279 6.057 30 10 DKEE C=CCCCCCCNCC1(CCOCc2ccccc2)CC1 1995173111 JLEKSUDGXBFPOK-UHFFFAOYSA-N 315.501 5.100 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1sc(Br)cc1C 2000386780 DOWWZLFCDWFEHY-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE O=C1C(=Cc2ccc(Cl)cc2)CCC1=C1SCCCS1 2040469662 HBEWNRVJTVDRNF-UHFFFAOYSA-N 322.882 5.168 30 10 DKEE CC1CC(=Cc2cccs2)C(=O)C(=Cc2cccs2)C1 2040565393 CZTLNKDRDKKKGJ-UHFFFAOYSA-N 300.448 5.276 30 10 DKEE C=C([C@H](NCCC)c1cc(C(F)(F)F)cs1)C(C)(C)C 2164263549 MCKXDEBIKQJZAB-ZDUSSCGKSA-N 305.409 5.410 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(C(F)(F)F)cs1 2164264464 JRQUZXSMECCVTG-BXUZGUMPSA-N 305.409 5.410 30 10 DKEE CCCC[C@@](C)(C#N)[C@](C)(O)c1cc(F)c(Cl)cc1Cl 2164470437 SWQJGLDVDVQPEC-LSDHHAIUSA-N 318.219 5.060 30 10 DKEE CCCCCCCCCCCCNCc1cc(Cl)ns1 2167213349 UMMSKXNNHSQXKC-UHFFFAOYSA-N 316.942 5.807 30 10 DKEE C=CCCCC[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2179679713 RCDFYCQRSSNQKJ-OAHLLOKOSA-N 305.874 5.815 30 10 DKEE CCCC1(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CCC1 2189684001 DHJRVEGDSBGJOO-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE N#CCN(Cc1ccc(Cl)c(Cl)c1)C1CCCCCC1 2195573830 OPONNCVDOFFQLB-UHFFFAOYSA-N 311.256 5.042 30 10 DKEE CCCCCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1F 2204264674 MISWNDSZXRJVOU-AWEZNQCLSA-N 320.279 6.144 30 10 DKEE C=CCCC(C)(C)CNCc1ccc(-c2cccs2)s1 2205887693 UJAONTUQKJBPLZ-UHFFFAOYSA-N 305.512 5.559 30 10 DKEE CC(C)(C)[C@H](C#N)CSc1nc(-c2ccccc2)cs1 2234273105 RAGCCLQAWYAJQK-CYBMUJFWSA-N 302.468 5.088 30 10 DKEE CCC[C@@H](C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl)C(C)C 2235752786 DLTOITWKHYPRSX-YPMHNXCESA-N 312.240 5.242 30 10 DKEE C=CCC[C@H](C)[C@@H](OCCCN)c1cc(Cl)sc1Cl 2277118808 KVXDXCWYAVXVEV-GXFFZTMASA-N 322.301 5.064 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2285206354 WFKSXNHULQXPKX-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1cccc(Cl)c1Cl 2292804075 YPRUUZGYRZQQDC-OAHLLOKOSA-N 316.272 5.146 30 10 DKEE Cc1ccc(C)c(NC=CC(=O)c2ccc(C(C)(C)C)cc2)c1 2297680989 DCXYXYJQAWCJAU-UHFFFAOYSA-N 307.437 5.409 30 10 DKEE C=C(C)CCCC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2341167448 LAMUTJQULFWTQO-MRXNPFEDSA-N 301.257 5.423 30 10 DKEE C=C[C@](C)(CNCC(C)C)Cc1cc(F)c(Cl)cc1Cl 2377390972 YFHPSHIBYFGXGM-INIZCTEOSA-N 318.263 5.113 30 10 DKEE Cc1ccc(Cl)c(Oc2ccc(C(F)(F)F)cc2C#N)c1 36985149 NUYVSWVZIUILLB-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE N#C[C@H](CCOc1ccc2ccccc2c1)c1cccc(F)c1 57688975 SPHLFBKEMLRSED-SFHVURJKSA-N 305.352 5.055 30 10 DKEE Cc1cccc2c(/C=N/c3ccccn3)c(-c3ccccc3)[nH]c12 59513141 UOFOLXLLVWAQTD-OEAKJJBVSA-N 311.388 5.289 30 10 DKEE Cc1ccc(-n2c(C)cc(/C=N/c3ccccc3C)c2C)cc1C 59565440 CQABYYHPWRSVEC-OEAKJJBVSA-N 316.448 5.770 30 10 DKEE C/C(=C/C(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 104279062 XHWHFPIARDLXNZ-KHPPLWFESA-N 306.192 5.192 30 10 DKEE N#Cc1ccc(Cl)c(NCc2cccc(Cl)c2Cl)c1 125677990 CQPVDVLRIFGKDG-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE Cc1cc(Nc2ccc(Cl)cc2C(F)(F)F)ccc1C#N 126821244 BWRUEAOKRFVBGU-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCCCCNCc1ccc(Cl)cc1Cl 129300433 UZKVETGSPVOUPN-UHFFFAOYSA-N 316.316 6.224 30 10 DKEE CCCCCCCCCCSc1cc[nH]c1-c1ccco1 196552804 LSAUXCHBDLNHOH-UHFFFAOYSA-N 305.487 6.508 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1Cl)c1ccc(F)c(Cl)c1 235238065 MDBOURXDZNPVKL-SECBINFHSA-N 309.171 5.177 30 10 DKEE C[C@@H]1CCc2c(sc(N=C/C=C/c3ccccc3)c2C#N)C1 254395916 FGQLBGBXYBWIOX-XJDNZYDFSA-N 306.434 5.160 30 10 DKEE C#CCCCCC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 686689015 DNRIKRWJJVDXME-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE CCCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccccc1 698442636 FUPOBIMBZQMKLF-IBGZPJMESA-N 316.445 5.291 30 10 DKEE Cc1cccc(C=Nc2ccc(Br)c(Cl)c2)c1 1083917531 GYXJFKDSYYNZET-UHFFFAOYSA-N 308.606 5.162 30 10 DKEE CCCCCCCCCCn1cc(OCCCC)c(=O)cc1C 1870083903 YRANJGZULRRXNI-UHFFFAOYSA-N 321.505 5.476 30 10 DKEE SC[C@@H](CSc1ccc(Cl)c(Cl)c1)C1CCC1 1942149810 JOKTVGQXACZUBD-JTQLQIEISA-N 307.311 5.432 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1cc(F)cc(C#N)c1)C(C)(C)C 1946838738 DTVCVSWBMXIICX-MRXNPFEDSA-N 324.443 5.134 30 10 DKEE N#CC1(Cc2cc(Cl)sc2Cl)C[C@@H]2CC[C@H](C1)S2 2074835481 RBYBSOAFIPIINB-HWYHXSKPSA-N 318.294 5.165 30 10 DKEE N#Cc1c(F)cccc1-c1cc(Cl)c(Cl)cc1Cl 2081447568 HCYSZISZBHMZSD-UHFFFAOYSA-N 300.547 5.325 30 10 DKEE CCCCCC#CC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2139003121 RRGOYWNMYUVIAU-ZDUSSCGKSA-N 318.675 5.620 30 10 DKEE C#CC1CCC(N[C@H](CC)c2ccc(Cl)c(Cl)c2)CC1 2153352410 HAZRCMPBFSRKNT-MKTAYPAQSA-N 310.268 5.226 30 10 DKEE C#CCC[C@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2164104695 LFZUTSFNGIXETE-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccc(F)c(Cl)c1F 2206884618 IINKSOOWWWVPCI-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE C=C[C@@H](CCCCC)OCc1ccc(F)cc1Br 2223291927 VITALCCJXMLGPW-AWEZNQCLSA-N 315.226 5.240 30 10 DKEE C=CCCCCCCCCOc1cc(Cl)c(Cl)cc1N 2234033204 CGZNMKXDXQSQEL-UHFFFAOYSA-N 316.272 5.871 30 10 DKEE CCc1cscc1C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235758839 YHAGYVAILZLXLD-NSHDSACASA-N 324.232 5.107 30 10 DKEE C=CCCCCCCCSc1cc(Cl)nc(CCC)n1 2287066624 XVAVJMYVHZPYSC-UHFFFAOYSA-N 312.910 5.701 30 10 DKEE C=CCCC(C)(C)CNCc1sc(C(F)(F)F)cc1C 2295046867 KINJJTOMVZRZNO-UHFFFAOYSA-N 305.409 5.157 30 10 DKEE C=C(C)CCCCN(C)Cc1cc(F)c(Cl)cc1Cl 2349814348 USUWOENPMBAZDI-UHFFFAOYSA-N 304.236 5.311 30 10 DKEE CCCCCCCCC(=O)Nc1cc(Cl)cc(Cl)n1 2353856020 UZIHZOUBZZIFFT-UHFFFAOYSA-N 303.233 5.078 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CC/C(=C/c1ccccc1Cl)C3=O 6089128 YTZCZWJRALRLAF-KAMYIIQDSA-N 321.807 5.342 30 10 DKEE CC(C)(C#N)c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 36922175 SLLCLKDNAPUROL-UHFFFAOYSA-N 319.235 5.407 30 10 DKEE CCOc1ccc(C[C@@H](C#N)c2cc(C(C)C)ccc2OC)cc1 57755585 SNSLSSQZLUBBHJ-SFHVURJKSA-N 323.436 5.067 30 10 DKEE CCCCCCCCCn1cc(C=O)c2cc(OC)ccc21 104090572 RIBGCSBLJIGOBD-UHFFFAOYSA-N 301.430 5.213 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(OC)cc1Cl 115856908 XBCMDEHVXGEVIY-SFHVURJKSA-N 311.897 5.750 30 10 DKEE CCCCCCCCC[C@@H](NC)c1c(Cl)cnn1CCC 127424835 ZNWFUDZRDKUBRH-MRXNPFEDSA-N 313.917 5.348 30 10 DKEE Cc1ccc(Br)c(Nc2ccc(C#N)c(Cl)c2)c1 164006226 CCGZXECFYOBGBY-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCC[C@H](O)c1csc(C(C)(C)C)n1 229279237 WNYQMNZMNFVRNI-INIZCTEOSA-N 311.535 6.005 30 10 DKEE CCCCCCCCCCOc1ccc(Br)nc1 230301801 PPXLCMFLKRBRAD-UHFFFAOYSA-N 314.267 5.364 30 10 DKEE C=C1C[C@@H](c2ccc3ccccc3c2)N(C(=O)OC(C)(C)C)C1 238139934 GDGUNFSFGLDEKR-SFHVURJKSA-N 309.409 5.078 30 10 DKEE O=[N+]([O-])c1ccc(C=Nc2ccc(Nc3ccccc3)cc2)s1 252641866 ZHEBAFMQLVRDOT-UHFFFAOYSA-N 323.377 5.151 30 10 DKEE C=CC[C@H](NCCC)c1cc(Cl)c(C)cc1Br 310390170 RKYWNVVEQZTPOP-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE N#CCc1ccc(CSc2ccc(Cl)c(Cl)c2)cc1 399246103 VZOXFEOJDYQZHS-UHFFFAOYSA-N 308.233 5.352 30 10 DKEE CC[C@@]1(C)CSC(=Nc2cc(Cl)c(Cl)c(Cl)c2)N1 404320143 ZFTISQJQVRFGFT-LBPRGKRZSA-N 323.676 5.139 30 10 DKEE CCCCCCCOC[C@H](N)c1c(Cl)ccc(F)c1Cl 708904340 BABAAZQAYPKEII-ZDUSSCGKSA-N 322.251 5.119 30 10 DKEE CCCCCCCCNC(=O)c1cc2cc(Cl)ccc2s1 1874055543 QPUDNALEORQPII-UHFFFAOYSA-N 323.889 5.645 30 10 DKEE C=C1CCC(C[C@](O)(CC)c2ccc(Br)cc2)CC1 1886400240 ATRDEKRKIQKOGJ-QGZVFWFLSA-N 323.274 5.183 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(Cl)cc1F 1892439931 ZZMBFLQVACIVBK-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE CC(C)=C(CS[C@@H]1CCC[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 1901708220 ISTVAYJUPYLSJK-LSDHHAIUSA-N 324.339 5.266 30 10 DKEE CCCCCCCCC[S@](=N)(=O)c1cccc(Cl)c1 1917896442 FSIKTZFGSPWDML-IBGZPJMESA-N 301.883 5.496 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1c(Cl)cccc1Cl 1919911872 DKNYKSDOZKPTOM-MRXNPFEDSA-N 303.273 5.647 30 10 DKEE CCCCCCCCCC[C@@]1(N)CC[C@@H]1OCc1ccccc1 1939548656 ZKNSRGRGYKZBTE-LEWJYISDSA-N 317.517 5.594 30 10 DKEE C[C@@H]1C[C@@](C#N)(Cc2cc(Cl)sc2Cl)CCS1 2019144566 GSQLOIQLFPNQJP-PRHODGIISA-N 306.283 5.023 30 10 DKEE CCCCCCCCCCN[C@H]1CCC=C1Br 2020059702 QDNWUVTZRPKIBC-HNNXBMFYSA-N 302.300 5.158 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)c1ccc(F)cc1Br 2065479563 JJCUSCKJWRZVOA-SCDSUCTJSA-N 310.210 5.022 30 10 DKEE C#Cc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)cc1 2101661568 HBWWTPSYNWEOJV-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(C)cc1Cl 2136675343 HLSLCLZWGZNBMP-INIZCTEOSA-N 302.289 5.923 30 10 DKEE CCCCC#CCNc1ccc(Br)c2ccccc12 2138957716 ZDYJLJGYCRTPJB-UHFFFAOYSA-N 316.242 5.208 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(Br)c(C)c1 2141916079 ICJZPNYIEXNOJL-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1ccc(Cl)s1 2147645554 JVVULSWBASDVLV-CZUORRHYSA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H](O)c1cscc1Cl 2148585120 ATAORXXFZRKFHL-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE CCCCCCCN(C)[C@H](c1ccc(Cl)s1)[C@H](N)CC 2196730462 WSBUGVRVUIRACL-CJNGLKHVSA-N 316.942 5.082 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(F)c(Cl)c2F)cc1F 2200730062 JBPRNWPYEHNEOW-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCCCCCCC[C@H](O)C[C@H](C)P(C)(C)=O 2207391745 NPPMTNPFEXRAFA-IRXDYDNUSA-N 302.439 5.446 30 10 DKEE C=CCCCCCCCCC[C@@H](NN)c1ccsc1Cl 2207441755 KLFYPBXJIMJSQG-OAHLLOKOSA-N 314.926 5.603 30 10 DKEE C=CCCCCCCCC(=O)c1cscc1Br 2214622193 MNTSUTPPHYAVOJ-UHFFFAOYSA-N 315.276 5.610 30 10 DKEE C#CCCCC[C@H](Cc1cccc(Cl)c1Cl)NCCC 2235757888 VHLOZWXPIOYQHF-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE CCCCCCCC[C@H](C)NCc1cccc(Cl)c1Cl 2240638932 ZSDUNQGNAGVWAU-AWEZNQCLSA-N 316.316 6.222 30 10 DKEE C=CCCCCCOc1cccc(Br)c1Cl 2243586465 QILQKZSERSHQGT-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE C=C(C)CCCC[C@@H](O)c1scc(Br)c1Cl 2244653252 UGHIJMPAXTTZLM-SNVBAGLBSA-N 323.683 5.334 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](N)c1scc(Cl)c1Cl 2256766352 YGLGQGJZVVKLPQ-LLVKDONJSA-N 302.270 5.051 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(Cl)c(OC)cc1Cl 2281522390 IQBXYQANXCGPDZ-BDJLRTHQSA-N 316.272 5.255 30 10 DKEE C=CCCCCCCCC[S@](=N)(=O)CCC1CC(F)C1 2285669184 SYDPVNYTPGUWMR-PMTKGXAQSA-N 303.487 5.088 30 10 DKEE CC#CCCCC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2286474846 AJZBQEDCQIKZOL-QGZVFWFLSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCCSC[C@H](NCC)c1cnsc1 2287191724 JFXPNNZPWQHTSN-INIZCTEOSA-N 312.548 5.054 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1cc(Cl)ccc1Cl 2294033380 RNYIOBLLYQVEJP-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE Cc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)s1 2294300321 DAFUMBXNOBGYHG-UHFFFAOYSA-N 304.414 5.620 30 10 DKEE CCCCCCCCc1scc(CNCC(F)F)c1C 2295680485 ZFQWOHHDWMXDBQ-UHFFFAOYSA-N 303.462 5.314 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1sc(Br)c(C)c1C 2304124311 CNBKFVAAHFJXLH-GXTWGEPZSA-N 317.292 5.153 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cc(C)c(Br)c(C)c1 2321179166 GKYIHONXTLGNJG-MRXNPFEDSA-N 309.247 5.241 30 10 DKEE CCCCc1ccc(C(=O)C=Cc2cccc(OCC)c2)cc1 2323076317 MGINAJGEJNFUKN-UHFFFAOYSA-N 308.421 5.324 30 10 DKEE C=C(C)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341120286 DOPDVNJRIVQLKP-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE CC#CCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2377333108 WJKRTZMYDWPGFP-MRXNPFEDSA-N 316.247 5.367 30 10 DKEE N#Cc1cccc(COc2cc(Cl)c(Cl)cc2Cl)c1 5958045 WRMUKLYDMFNAMH-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CC(C)CC(CC(C)C)Nc1ccc(C#N)cc1Br 37071968 GZAGBEGUJPOKAM-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE N#Cc1ccc(Cl)cc1N[C@H](c1cccs1)C1CCCC1 37277991 MFSBUMODTXWDAU-KRWDZBQOSA-N 316.857 5.617 30 10 DKEE CCCCCCCOCC(=O)c1cc(Cl)ccc1Cl 59526085 KHPZTGWFQXVLEM-UHFFFAOYSA-N 303.229 5.163 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)c2)CC1 86955689 OKMCDPWFZORIGN-HUUCEWRRSA-N 304.865 5.619 30 10 DKEE CCC[C@@H]1CCC(=O)N(CCCCCCCCCS)CC1 97799993 OZYBAJXKZRWEFH-QGZVFWFLSA-N 313.551 5.076 30 10 DKEE Cc1nc(SCCCCCCCCCS)nc(C)c1C 97800148 YNEYIFLNAACAKE-UHFFFAOYSA-N 312.548 5.154 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)ccc1Cl 115062769 FKJXNYPMAGAOLS-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CCCCCCCC[C@@H](N)c1sc(C)cc1Br 115063141 VKKRYLKCJCVMQH-CYBMUJFWSA-N 318.324 5.569 30 10 DKEE CCCCCCCCCCCC[C@H](NC)c1cscc1C 122028807 XXFONXJOYIDLIQ-IBGZPJMESA-N 309.563 6.628 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(F)c(Cl)cc1F 162284186 OVTCAXOURNDCTA-QGZVFWFLSA-N 317.851 6.149 30 10 DKEE C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(C#N)cc1Cl 162901892 LFBMTFWJARICIF-GFCCVEGCSA-N 319.235 5.058 30 10 DKEE CCCCCCCCNc1nc(Cl)c(Cl)cc1Cl 226509869 SGKMSHATMIRATR-UHFFFAOYSA-N 309.668 5.814 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1SCCS[C@@H]1CC 228096677 GLDZJWNCOSWNIN-XHSDSOJGSA-N 304.565 5.115 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccc(C)c(Br)c1 234458649 NDTCUPPBSVDSDL-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE Cc1ccc(N=Nc2ccc(C)cc2N=Cc2ccncc2)cc1 254853295 OLTFMXLRUAFIBL-UHFFFAOYSA-N 314.392 5.864 30 10 DKEE CC(C)(C)C(=NOC(=O)c1ccc(Cl)cc1)c1cccs1 263631634 FQOYZSDXLGYFJZ-UHFFFAOYSA-N 321.829 5.009 30 10 DKEE C=CCC(C)(C)CN[C@H](C)c1c(Cl)ccc(F)c1Cl 389038134 MFCCXHCQZXZVKD-SNVBAGLBSA-N 304.236 5.385 30 10 DKEE CC[C@H](C)C[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 698913330 ZVZWTKKWBBEMKZ-KXBFYZLASA-N 322.493 5.275 30 10 DKEE CCCCCCCN[C@H](CC)c1ccc(Cl)cc1Cl 703709796 ZNECLYFVHOTNDT-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cccc(C)c1Br 715774623 PRIQDZQTEQRFRH-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(C(F)(F)F)s1 718000822 SVTVGBSPYHTZIN-NSHDSACASA-N 305.409 5.410 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1cc(Cl)sc1Cl)C1CC1 1887488520 IFNBGLVDESAATJ-AAEUAGOBSA-N 316.297 5.145 30 10 DKEE N#Cc1ccc(OCc2cc(Cl)cc(Cl)c2)c(Cl)c1 1893165004 CKIKHCQECHKDSE-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCC[C@](C)(O)c1cccc(Cl)c1Cl 1920040786 LVRZUJOYVYDJCE-INIZCTEOSA-N 303.273 5.952 30 10 DKEE C=C(COCc1ccccc1)[C@@H](N)C1CCC(CCCC)CC1 1922072693 WYSYAFQWBRBUMY-DQVLVPHSSA-N 315.501 5.083 30 10 DKEE SC[C@@H](CSc1cc(Cl)ccc1Cl)C1CCC1 1942146195 QODMVIMWIMMVRQ-JTQLQIEISA-N 307.311 5.432 30 10 DKEE C=CCCCCCCOc1ccc(Br)c(Cl)c1 2026017081 KTZBEEUMPJUCMH-UHFFFAOYSA-N 317.654 5.618 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCCC1(C)C 2032105451 URKPZDMLQQWZIH-MRXNPFEDSA-N 306.247 5.020 30 10 DKEE CC(C)(C)c1ccc(Cn2cc(C#N)c(C3CCCCC3)n2)cc1 2080307033 QSIUVZNRQLOTRA-UHFFFAOYSA-N 321.468 5.148 30 10 DKEE C=CCCCCCCN[C@@H](C)c1ccc(C)c(Br)c1 2105781512 XDBJWYWLCNLSLR-HNNXBMFYSA-N 324.306 5.545 30 10 DKEE CC(C)(C#N)CCCCNc1cc(F)c(Cl)cc1Cl 2138945683 SZPOGZVWSRMRNH-UHFFFAOYSA-N 303.208 5.264 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1cc(Cl)ns1 2141917404 VHBQZHKUQYOSOF-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1ccc(Cl)cc1Cl 2149857240 GSVQEWKOILGSGT-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE C=C(C)CC[C@@H](C)NCc1ccc(SC(F)(F)F)cc1 2152867171 YJHFXGYNXNHIED-GFCCVEGCSA-N 303.393 5.133 30 10 DKEE N#Cc1cc(F)c(Nc2c(F)cc(F)cc2Cl)cc1Cl 2177390737 LWXUBEGWFCDOBP-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE CCCCCCCCCCCCN(C)[C@@H](CC)CSC 2195918949 WUEZPKWTDVIFPL-SFHVURJKSA-N 301.584 5.981 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1cscc1Cl 2207445009 OCMMZVZDNKSDRY-CVEARBPZSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCOCc1ncc(Br)s1 2216957205 RZHZRCDYCSDWAI-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1cc(Cl)cc(Cl)c1 2235542696 VGHWNXOJUBQQFD-KRWDZBQOSA-N 314.300 5.780 30 10 DKEE C=C[C@@H](C)CCNc1ccc(Br)cc1C(F)(F)F 2260240686 ODIKQGYORXPSFC-SECBINFHSA-N 322.168 5.092 30 10 DKEE CCCCCCCCNCc1cc(Cl)c(O)c(Cl)c1 2278808304 ZOCUZVGSANNJFH-UHFFFAOYSA-N 304.261 5.149 30 10 DKEE CCCCCCC[C@](C)(OCC(=O)O)c1csc(Cl)c1 2290885791 SUHBTMYWJZYKKO-HNNXBMFYSA-N 318.866 5.078 30 10 DKEE C=CCCCCC[C@H](OCCN)c1ccc(Cl)c(Cl)c1 2293838969 CTHKCHSDZDWREZ-INIZCTEOSA-N 316.272 5.146 30 10 DKEE C#CCCCCC[C@H](NCC)c1ccc(C(F)(F)F)s1 2294994400 OEXLNZIQCOJAIC-LBPRGKRZSA-N 303.393 5.001 30 10 DKEE FC1(F)C[C@]1(CS)CSc1cc(Cl)ccc1Cl 2306940902 KXPYBGNNLAXMNA-JTQLQIEISA-N 315.237 5.041 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cc(Cl)c(Cl)c(Cl)c1 2321097073 YCHLMNWMZFPEBU-ZIAGYGMSSA-N 306.664 5.639 30 10 DKEE CCCCCCCCNC(=O)C=Cc1ccc(C(C)C)cc1 2327473447 AQYVKBYZOWKVRG-UHFFFAOYSA-N 301.474 5.300 30 10 DKEE C=CCCC[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2335360268 CWIMGUZAFSJTOL-AWEZNQCLSA-N 304.236 5.530 30 10 DKEE N#Cc1c(Br)cccc1NCCCC1=CCCCC1 2340970436 PBYHYQNUNSTVMR-UHFFFAOYSA-N 319.246 5.013 30 10 DKEE C[C@H](CCS)CCOc1ccc(C(F)(F)F)cc1Cl 2341121739 KGWPCZZJAZKTHN-VIFPVBQESA-N 312.784 5.084 30 10 DKEE C=CC[C@@H](NCCC)c1c(C)c(C)c(Br)c(C)c1C 2346034969 UOTYQAGTYFRXHD-OAHLLOKOSA-N 324.306 5.300 30 10 DKEE C[C@H](CCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N)C(F)F 2363933843 CEHFDUKTRLQRGA-ZOBORPQBSA-N 303.462 5.365 30 10 DKEE CCO/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 20515531 HVWDOTBJSZTBFE-HYARGMPZSA-N 316.360 5.182 30 10 DKEE C#Cc1cccc(N[C@@H](CC)c2ccc(Cl)cc2Cl)c1 35624765 VLTLRDABVVTUCK-KRWDZBQOSA-N 304.220 5.538 30 10 DKEE C=CCSc1ccccc1NCc1cnc(C(C)(C)C)s1 62838978 CQLYMPBJJHPPTN-UHFFFAOYSA-N 318.511 5.331 30 10 DKEE Clc1cc(Cl)cc(/N=C2/N[C@H](c3ccccc3)CS2)c1 63001275 ILZAMPNQWFPFOF-AWEZNQCLSA-N 323.248 5.059 30 10 DKEE CC(C)Cn1c(Cl)c(C#N)c2cc(Cl)c(Cl)cc21 71466281 NSBHYFAWVSRMMQ-UHFFFAOYSA-N 301.604 5.129 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCCC1)c1ccc(Cl)c(Cl)c1 86580124 GZBZPAQFYAXFKW-CQSZACIVSA-N 324.251 5.530 30 10 DKEE CCCCCCCCOC(=O)c1cc(Cl)cc(Cl)c1N 110389256 UXUBFWJTWYJPIX-UHFFFAOYSA-N 318.244 5.093 30 10 DKEE CC(C)(C)C1CCC(CNc2ccc(C#N)c(Cl)c2)CC1 129817047 ZKKBXSAAWGXSLC-UHFFFAOYSA-N 304.865 5.476 30 10 DKEE CCCCCCCCNc1ccc(Br)cc1CC 148195487 WKAVUVOEZUBCOQ-UHFFFAOYSA-N 312.295 5.784 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(F)c(F)c1F 158959457 UNOABRCMLFCUMM-HNNXBMFYSA-N 301.396 5.505 30 10 DKEE CCCCCCCCC(=O)c1cc(F)ccc1C(F)(F)F 163857340 NSBDFISCPGHAJS-UHFFFAOYSA-N 304.327 5.778 30 10 DKEE CCSc1cccc(N[C@@H](C)c2cc(C)sc2C)c1C#N 167581682 QVOKYYRFGWZWPQ-LBPRGKRZSA-N 316.495 5.522 30 10 DKEE CC[C@@H]1O[C@@H]1C[C@H](C)c1ccc(OCc2ccccc2)cc1C 251722803 SABWAAOQPPUEAV-ORYQWCPZSA-N 310.437 5.245 30 10 DKEE CCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 302864890 XZXVAQUYFZNHLG-SLFFLAALSA-N 312.501 5.253 30 10 DKEE CCCCCCCCC[C@H](N)c1c(Cl)ccc(F)c1F 312448299 CGTYQRLMISROTC-AWEZNQCLSA-N 303.824 5.759 30 10 DKEE CC[C@@H]1CC[C@](C#N)(Cc2cc(Br)ccc2C)C1 314140353 IOBDDGKZCMINRC-CZUORRHYSA-N 306.247 5.020 30 10 DKEE C=CCCC[C@@H](C)NC1CC(c2cccc(Br)c2)C1 398152793 FABVLAKQGINTTH-BZOOQXSSSA-N 322.290 5.030 30 10 DKEE CC[C@@H](Nc1ccc(Cl)cc1C#N)c1cccc(Cl)c1 695758195 PSKQRVBSQVVWRW-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@]1(C#N)CCCC1(C)C 698382353 YCLZDDHIIVQGCK-IBGZPJMESA-N 320.477 5.029 30 10 DKEE Cc1ccc(/C=C2\Oc3cc(OCCC(C)C)ccc3C2=O)cc1 1871409919 LRBLMKBSWZTWNK-NDENLUEZSA-N 322.404 5.036 30 10 DKEE CCCCCCCC[C@@H](O)c1scc(Br)c1C 1922988967 MOAPENNGEBWIPU-CYBMUJFWSA-N 319.308 5.603 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(Br)cs1 1978659022 JBFHPZYRXATPAP-CYBMUJFWSA-N 300.265 5.163 30 10 DKEE CCCCCCCCC[C@H](O)c1ccn(Cc2ccccc2)n1 1992772492 ZLGYYDFDKXKFPL-FQEVSTJZSA-N 314.473 5.106 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2sc(C)cc2Br)CC1 2010784342 NNQNUYRXTPEELO-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE C=CCCC[C@@H](C)N[C@H](C)c1ccc(C)c(Br)c1 2043816326 FGMPJXATWNIARK-ZIAGYGMSSA-N 310.279 5.153 30 10 DKEE C=C(C[C@@H](NCC)c1cccc(Br)c1)C(C)(C)C 2050516433 XRVOGYWMDXNAPU-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1ccc(C2CC2)cc1 2070164449 CWCOVJHWBKMECH-OAHLLOKOSA-N 304.437 5.009 30 10 DKEE CCCCC#CC[C@H](NCC)c1scc(Cl)c1Cl 2083431681 UOXUMIIFSKTBSR-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C=C([C@H](NCCC)c1ccc(Br)c(C)c1)C(C)(C)C 2096634184 UQIJDVQMZGFLNR-INIZCTEOSA-N 324.306 5.401 30 10 DKEE N#C[C@H](c1ccc(Br)cc1)[C@@H]1CCC2(CCCC2)C1 2098997254 DKBGHAUDJOJOCG-GDBMZVCRSA-N 318.258 5.417 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(C)c(Br)c1C 2108011925 MGWNGPFFVJOLBK-SUMWQHHRSA-N 324.306 5.319 30 10 DKEE N#C[C@@]1(Cc2ccc(Br)cc2)CCCCC12CCC2 2116997600 UZGWRAZDBWPBLP-KRWDZBQOSA-N 318.258 5.246 30 10 DKEE N#CC1(Cc2cccc(Cl)c2Cl)CCC(F)(F)CC1 2128467059 MIXKDXMIVJMXPG-UHFFFAOYSA-N 304.167 5.255 30 10 DKEE CCCCCC#CC[C@](O)(CC)c1ccc(Br)cc1 2138949786 SCQHUVXNPBESRR-QGZVFWFLSA-N 323.274 5.021 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1scnc1Cl 2141911609 QZUAMGSXFOZDHR-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1scc(C)c1Cl 2142452308 GFBRFOPDGIGDPL-CQSZACIVSA-N 300.895 6.050 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](N)c1c(Cl)cccc1Cl 2205692773 XUVGCZJZUFOBKK-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE C=CCCCCCCC(=O)[C@@H](O)c1cc(Cl)ccc1Cl 2206897498 BTMOBAANOBGLJG-INIZCTEOSA-N 315.240 5.123 30 10 DKEE C=CCCCCCCCCC(=O)c1c(Cl)cccc1Cl 2207437767 RBGASINRYMOHBK-UHFFFAOYSA-N 313.268 6.483 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)ccc1Cl 2231924240 PWBPSNUXPSRGHU-CYBMUJFWSA-N 302.289 6.544 30 10 DKEE C[C@H](NCC=CC#CC(C)(C)C)c1ccc(Cl)cc1Cl 2284184662 HRKALBZLUWHNCY-ZDUSSCGKSA-N 310.268 5.250 30 10 DKEE C=C(C)CCCC[C@H](CSc1cccc(Cl)c1)NCC 2287465956 DDUGUWIGWSKXFC-MRXNPFEDSA-N 311.922 5.547 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(SC(F)(F)F)cc1 2287467881 XWUXLGILZMCEMY-CQSZACIVSA-N 304.377 5.468 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1cc2cscc2s1 2289683309 CTDWNJPUZLAOMC-OAHLLOKOSA-N 303.496 5.197 30 10 DKEE C=CCCCCCC[C@H](OCCCN)c1sccc1Cl 2292773896 ZNMHUXINTVHFLQ-HNNXBMFYSA-N 315.910 5.335 30 10 DKEE CCCCCCCC[C@@](C)(OCCN)c1cc(Cl)cs1 2293886066 ZXRWISGEHNWNTP-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE C=CCC(CC=C)S[C@H](c1ccc(Cl)s1)[C@H](C)N 2313528690 GSMJZFUJPZLIFR-HZMBPMFUSA-N 301.908 5.044 30 10 DKEE COc1ccc(NN=Cc2ccc(C(C)(C)C)cc2)cc1Cl 2322926691 IBRBIFJLRXMGKB-UHFFFAOYSA-N 316.832 5.092 30 10 DKEE C=CC[C@@](C)(CC)C(=O)CCCCC(F)(F)C(F)(F)F 2370567314 GHZWKKXIZWLKCL-GFCCVEGCSA-N 300.311 5.306 30 10 DKEE CCOc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 33410625 RTHRLGGMMVPZDZ-QINSGFPZSA-N 302.373 5.135 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(OC)c(OC)c1 111235654 XHUAVSWLITYOGD-UHFFFAOYSA-N 312.837 5.291 30 10 DKEE CCCCCCC[C@H](NC)c1cc(F)cc(Br)c1 118041142 YXUYERAIMGNFME-HNNXBMFYSA-N 316.258 5.209 30 10 DKEE CCCCCCCCCCNc1ncccc1Br 124878943 MNWXYLDPCQZHIX-UHFFFAOYSA-N 313.283 5.397 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H]1SCCS[C@H]1CC 162412019 JWOGSPSSWUTRKZ-YESZJQIVSA-N 317.608 5.342 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(OC)cc1Cl 164427859 FICBGSDWTIMPMA-HNNXBMFYSA-N 319.272 5.786 30 10 DKEE C#C[C@H](CCC)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 229908415 NBCSKYWRKZJXDD-VHSXEESVSA-N 304.648 5.099 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1 692240693 QFLYSXNRLCXGNE-XNJGSVPQSA-N 312.284 5.779 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC12CCCCC2 698815720 MRWPUZGJHNKRDL-LJQANCHMSA-N 320.477 5.030 30 10 DKEE CC(=O)c1cccc(N=Cc2cccn2-c2ccc(Cl)cc2)c1 1084616164 BIRGXXAZFZKLJD-UHFFFAOYSA-N 322.795 5.084 30 10 DKEE C=CC[C@](C)(CC)[C@@H](C[C@@H](C)COCc1ccccc1)NCC 1903157034 RTNLVWQZKJPWOE-NRSPTQNISA-N 317.517 5.200 30 10 DKEE CCCCCCC[C@](C)(N)CCc1cc(Cl)cc(Cl)c1 1919503825 DFWLQRLJUXFPCD-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE CCCCCCC[C@@H](N)c1c(C)sc(C)c1Br 1940495151 RCMQORVPXIAWNG-GFCCVEGCSA-N 318.324 5.488 30 10 DKEE CCCCCCCCNCCc1ccsc1Br 2013703231 CUJLLRILXAVLOZ-UHFFFAOYSA-N 318.324 5.003 30 10 DKEE C=C([C@@H](NCC)c1cc(C)c(Br)c(C)c1)C(C)(C)C 2096620160 DOKQOIVOHWZEJK-MRXNPFEDSA-N 324.306 5.319 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(C)c(Br)c1C 2108011922 MGWNGPFFVJOLBK-CXAGYDPISA-N 324.306 5.319 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(Br)ccc1C 2141912871 CNFYBPZDMSVFEX-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE C#CC(C)(C)C[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2167610924 XPWRXEUYECSLCG-CQSZACIVSA-N 303.858 5.118 30 10 DKEE CCCCCCCCOC(=O)c1cc(Cl)c(F)cc1F 2179369418 QWXGMQVYZAXNOU-UHFFFAOYSA-N 304.764 5.136 30 10 DKEE C=CCCCC[C@@H](NCCC)c1csc(C(F)(F)F)c1 2179678462 NHIHQOXOPBZWCP-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2csc(C(F)(F)F)c2)CC1 2181668425 OKACTFXYZYSHSJ-SNVBAGLBSA-N 302.361 5.332 30 10 DKEE C=CCCCCCCCN1CC[C@@H](COCc2ccccc2)C1 2211146322 PGPHOCRJMWRJLT-OAQYLSRUSA-N 315.501 5.052 30 10 DKEE C=CCCCCCCC[C@@H](N)c1csc(Br)c1 2214612490 CQHUHWNQQFCSBP-CYBMUJFWSA-N 316.308 5.427 30 10 DKEE C=CCC[C@H](NCCC)c1sc(C)c(C)c1Br 2215902956 RUNHIVAOJVZXBY-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2235756136 HQSYGTSJMWWJSM-XJKSGUPXSA-N 314.300 5.506 30 10 DKEE C=C(C)C[C@H](NCCC)c1scc(Br)c1Cl 2242661816 NOXMFDWNHZVQHR-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccccc1NCCC 2244499912 ALCQCOFGWPBSIQ-UHFFFAOYSA-N 308.469 5.087 30 10 DKEE CCCCCCCCCN(C)C1CCP(=O)(CC)CC1 2283682193 LZCKTZXPZWAKLO-UHFFFAOYSA-N 301.455 5.214 30 10 DKEE O=C(C=CC1CCCCC1)c1ccccc1OCc1ccccc1 2295103329 GWHBAELYCNPWES-UHFFFAOYSA-N 320.432 5.585 30 10 DKEE C=CC[C@@H](C)C(=O)c1cc(Br)cc(C(C)(C)C)c1 2321171230 XARODTWZLWYEDL-LLVKDONJSA-N 309.247 5.142 30 10 DKEE C=C1CC([C@@H](NCCC)c2c(Cl)cc(F)cc2Cl)C1 2335365970 RFDXDIDVNAFUES-OAHLLOKOSA-N 302.220 5.139 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(OC)c(Cl)s1 2340265381 OUHWKKSJTXKIHH-RISCZKNCSA-N 301.883 5.053 30 10 DKEE C=CCC(CC=C)[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2364082181 ARJQNKIMICFXJU-AWEZNQCLSA-N 303.755 5.127 30 10 DKEE N#Cc1cc(N[C@H](c2cccs2)C2CCCC2)ccc1Cl 37282164 JMPDAOSKJVTBKN-KRWDZBQOSA-N 316.857 5.617 30 10 DKEE COc1ccccc1/C=C/C(=O)c1ccc(C)c(C(C)(C)C)c1 83193440 BQULEAHEHLJVID-OUKQBFOZSA-N 308.421 5.197 30 10 DKEE N#CC1(c2ccc(Cl)c(Cl)c2)CC(c2ccccc2)C1 86559291 SRJFDGOUEACTIC-UHFFFAOYSA-N 302.204 5.332 30 10 DKEE SCCCCCCOc1ccc(-c2ccccc2)cc1Cl 94582639 BJERZBUCNRVOQA-UHFFFAOYSA-N 320.885 5.876 30 10 DKEE SCCCCCCCCCOc1cccc(Cl)c1Cl 97799748 UUPYVKJROLYWLD-UHFFFAOYSA-N 321.313 6.033 30 10 DKEE CCCCCCCCCCNC(=O)[C@H]1C[C@H]1c1ccccc1 105975372 NGVYETHCGJDQSP-OALUTQOASA-N 301.474 5.047 30 10 DKEE CCCCCCCCOc1cccc(Cl)c1CNC(C)C 106595834 CCHMXZZZBRSLFW-UHFFFAOYSA-N 311.897 5.577 30 10 DKEE CCCCCCCCNc1c(Cl)cc(C)c2ncccc12 109779448 RLIBPJGTUMUGMJ-UHFFFAOYSA-N 304.865 5.969 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(Cl)cc1Cl 115651771 PGXPKWFODQBTIX-QGZVFWFLSA-N 317.300 6.558 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1cccc(Cl)c1 115862231 CFQXAFDTKSSXQS-IBGZPJMESA-N 310.909 6.164 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cccc(Cl)c2Cl)C1 218349189 MEXCOXDSIKXSND-XFBWCDHKSA-N 312.240 5.137 30 10 DKEE O=C1C(=C2SCCCS2)CCC/C1=C/c1ccc(F)cc1 230169617 IKXNLLJCZVWINM-QBFSEMIESA-N 320.454 5.044 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 232958810 IQEVVOXYIUKCMR-YVSFHVDLSA-N 317.608 5.341 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](C(C)C)C1 698375881 KHGUGCAQADFZSE-BXWFABGCSA-N 322.493 5.131 30 10 DKEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 710717459 PVJTXEBAWMFDHF-INIZCTEOSA-N 320.408 5.040 30 10 DKEE CC(C)(C)CC(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 713203086 DEJYLFGVPINWSU-FMIVXFBMSA-N 317.429 5.052 30 10 DKEE C=CCCCCCCN[C@H](C)c1ccc(C(F)(F)F)s1 717917950 DMYGNJWABGVHKG-GFCCVEGCSA-N 305.409 5.554 30 10 DKEE C/C(=N\Nc1ccccc1)[C@@H](c1ccccc1)c1ccc(C)cc1 1088669450 HOGNPKXGLLSCSB-SUFVQAABSA-N 314.432 5.615 30 10 DKEE CCCCCCCCN=c1[nH]c2c(Cl)cc(Cl)cc2o1 1859788311 CFDPPCJGUDVFNK-UHFFFAOYSA-N 315.244 5.329 30 10 DKEE N#CCCCSc1nc(-c2ccc3c(c2)CCCC3)cs1 1860796456 GJEMVTKQQRFMHE-UHFFFAOYSA-N 314.479 5.085 30 10 DKEE CCCCCCCCCCNC(=O)c1snc2ccccc12 1868196954 ABJPDCPDFTZJJA-UHFFFAOYSA-N 318.486 5.167 30 10 DKEE CCCCCC#CCNc1cc(Cl)ccc1Br 2024350701 XNIPJPJDVWXIOO-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE C=CCCCCCCOc1cccc(F)c1Br 2026021429 IYUPTIPSGCARGM-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCC[C@@H](C)C2)c1Br 2027611964 WGHFGQXGRGVLCZ-WBMJQRKESA-N 306.247 5.020 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(C)c(Br)c1C 2107977688 PJIOUHSFHFHCSJ-GUYCJALGSA-N 324.306 5.319 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OC[C@H](CS)C1CCC1 2145981827 MFUKERMSHQZZFH-CQSZACIVSA-N 312.906 5.497 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2ccc(Cl)c(Cl)c2)CC1 2157098940 JANRYOXUSPGCNZ-QGZVFWFLSA-N 313.268 5.712 30 10 DKEE O=C(C=C1CCCCC1)c1c(Cl)cccc1C(F)(F)F 2177047056 KZXFARUCWMBKSB-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2203791079 KRUZGXLTPMZXIU-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE C=CCCCC[C@H](Cc1cc(Cl)ccc1Cl)NCC 2225667212 GZMFWDYCRBNMEK-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE C=CCCCCCCCNCc1ccc(Cl)c(Cl)c1 2227265515 LHRRLTNVYLRODG-UHFFFAOYSA-N 300.273 5.610 30 10 DKEE C[C@](O)(CC#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2237804855 POSRIQCCHMDQDU-KRWDZBQOSA-N 311.252 5.175 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1occc1Br 2259231922 RSYLNPTZXHWHAM-CQSZACIVSA-N 314.267 5.219 30 10 DKEE CCCCCCCCCCC1(O)CCP(=O)(CC)CC1 2283597889 HONLDZOEIZNQHQ-UHFFFAOYSA-N 302.439 5.425 30 10 DKEE C=C([C@H](OCCCN)c1c(Cl)cccc1Cl)C(C)(C)C 2294250836 DVVKVSPHSXFXQD-HNNXBMFYSA-N 316.272 5.002 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cccc(Br)c1Cl 2304122938 QKCLZBHWJDWSHE-ZIAGYGMSSA-N 317.654 5.128 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cc(C)c(Br)cc1C 2321115292 DTJZASMCODHMGR-HZPDHXFCSA-N 310.279 5.058 30 10 DKEE C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C(=O)O 2333273619 VLQWZUQLAWRAFU-MBOZVWFJSA-N 302.458 5.372 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2349849054 ZMCWAFIDGYOMKA-BONVTDFDSA-N 304.236 5.385 30 10 DKEE CCN(CC)c1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 34869423 HXWXFSWDVNKYHL-AUWJEWJLSA-N 313.828 5.082 30 10 DKEE CCCCCCCCCCCCOc1ccc(N)cc1OC 95857929 AGPUIMJLOUWVGJ-UHFFFAOYSA-N 307.478 5.577 30 10 DKEE Cc1ccc(C)c(C(=O)/C=C\Nc2ccc(C(F)(F)F)cc2)c1 103031048 SYXQHQDXFUFLTH-KTKRTIGZSA-N 319.326 5.131 30 10 DKEE CCCCCCC[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1 109760262 PRFOYDUYPPISDE-KBPBESRZSA-N 316.316 6.393 30 10 DKEE CCCCCCCO[C@@H](CNC1CC1)c1ccc(Cl)cc1 110067954 UVFJAKQREMJTBF-SFHVURJKSA-N 309.881 5.120 30 10 DKEE CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCCCCCCCCCS)C2 125404601 NHYLPNIJYLJKGA-SCTDSRPQSA-N 312.563 5.878 30 10 DKEE CCCCCCCCCCC[C@H](N)c1cc(F)ccc1Cl 127628810 YGFNFBHVGJJBAM-SFHVURJKSA-N 313.888 6.400 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc(Cl)ccc1C 157956451 BZDLWBHMSZHZAC-LJQANCHMSA-N 309.925 6.440 30 10 DKEE CCCC[C@@H](CCC)Nc1ccc(C#N)cc1Br 226033242 QWLVDMMJDUGKPI-CYBMUJFWSA-N 309.251 5.092 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(Cl)ccc1OC 228482632 AFLVFPYIUIVSSX-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 308124645 XCUVFOHZDBKUKD-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCCCCCC 698940050 IOMWCWMTLHXXCC-GOSISDBHSA-N 308.466 5.052 30 10 DKEE CCCCCCC[C@H](NCC)c1csc(C(F)(F)F)c1 703559532 AWZRHYMUOMMXGF-ZDUSSCGKSA-N 307.425 5.778 30 10 DKEE C=CCC(CC=C)C(=O)c1scc(Br)c1Cl 1901002026 CDLAGFVUEOSYNW-UHFFFAOYSA-N 319.651 5.115 30 10 DKEE C=C(C)CC[C@H](NCC)c1cscc1OCc1ccccc1 1934837173 CEZWNHMTCKSUES-SFHVURJKSA-N 315.482 5.334 30 10 DKEE C=CCC[C@H](C)[C@]1(N)CCC(C)(C)C[C@@H]1OCc1ccccc1 1977508765 XTPVEGRFUJKDBY-HFSMHLIXSA-N 315.501 5.082 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(C)cc(Br)c1 2040533352 KODZOZAPZJSWBJ-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE C=CCCCCC[C@H](N)c1cccc(SC(F)(F)F)c1 2154639972 PKRMSDHRPJOWOC-AWEZNQCLSA-N 303.393 5.435 30 10 DKEE C=CCC[C@@H](C)[C@H](O)c1ccc(-c2ccccc2Cl)s1 2158316226 LBVLCLGEQSPTTO-PXAZEXFGSA-N 306.858 5.704 30 10 DKEE CCCCCCCCCCCCC(=O)c1cc(Cl)cs1 2158604684 KAKIPEUDJRZKSI-UHFFFAOYSA-N 314.922 6.895 30 10 DKEE CCCCCCCCC[C@H](NN)c1csc(C(F)F)c1 2164285176 UAHNKDUZIQHBTG-ZDUSSCGKSA-N 304.450 5.331 30 10 DKEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1cc(Cl)ccc1Cl 2164478883 BWIYBEDLFLAEIU-HZPDHXFCSA-N 314.256 5.311 30 10 DKEE CC1(C)CCCC[C@]1(C=O)Cc1cc(C(F)(F)F)cs1 2173655653 NMYLMFOLJAHNHR-CQSZACIVSA-N 304.377 5.095 30 10 DKEE C=CC1(CNCCc2cc(Cl)cc(Cl)c2)CCCCC1 2189517657 MEASWRLPFPPMKI-UHFFFAOYSA-N 312.284 5.262 30 10 DKEE CCCCCC#CC[C@@H](Cc1c(Cl)cccc1Cl)NC 2203793864 XOYSJHPQKVFJPK-AWEZNQCLSA-N 312.284 5.098 30 10 DKEE C#C[C@@H](N[C@H](C)c1cccc(Cl)c1Cl)C1CCCCC1 2203796934 BDMDFNKOXQNBCN-MLGOLLRUSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1scc(C)c1Cl 2207407096 BJINUCNFGAJDRC-OAHLLOKOSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCCCC(N)(C(F)(F)F)C(F)(F)F 2207439720 VXLZCVJRPSPQHZ-UHFFFAOYSA-N 305.306 5.115 30 10 DKEE BrC#CCCSCCCCCCCC1CC1 2212449936 FZAWWHBLAWZJKW-UHFFFAOYSA-N 303.309 5.216 30 10 DKEE C=C(C)CCCC[C@H](N)c1cccc(OCc2ccccc2)c1 2244624821 UWTUWQBWVNNGLI-NRFANRHFSA-N 309.453 5.402 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2264376270 CNWRPJCYOPICEK-MRXNPFEDSA-N 302.289 5.923 30 10 DKEE C=C1C[C@H]1C[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967818 UEGHEKZHVJVYJV-YOEHRIQHSA-N 322.290 5.189 30 10 DKEE O=C(C#CC1CCCCC1)c1c(Cl)ccc(Cl)c1Cl 2273952307 IJFCPAVBYFPWRS-UHFFFAOYSA-N 315.627 5.413 30 10 DKEE C=CCCCCCCCS[C@H]1CCCCC(F)(F)[C@H]1N 2287195860 ZXWUTCXCQFSSID-GJZGRUSLSA-N 305.478 5.151 30 10 DKEE C=CCCCCCNc1ccc(C)c(Br)c1F 2307575166 HWOVSKBOSDZMRA-UHFFFAOYSA-N 300.215 5.055 30 10 DKEE CCCCCCC[C@H](O)Cc1ccc(Cl)c(Cl)c1C 2338897655 VOBCJWGPKDDAFF-AWEZNQCLSA-N 303.273 5.566 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cccc(Cl)c1C(F)(F)F 2370518555 LSWRCWHFCVINPX-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(C(F)F)s1 2371129031 WSDNODSCYXZECR-GFCCVEGCSA-N 324.864 6.513 30 10 DKEE CCc1ccc(/C=N\Nc2nc(-c3ccc(C)cc3)cs2)cc1 34942591 MWSDDFSFFZOFPW-NDENLUEZSA-N 321.449 5.127 30 10 DKEE N#Cc1cccc(CSC(c2ccccc2)c2ccccc2)c1 58240626 AWHKQLYWSKFKOT-UHFFFAOYSA-N 315.441 5.581 30 10 DKEE S=c1[nH]c2ccc(/N=C/c3cccc4ccccc34)cc2s1 59383732 WWLLUAFQNGAGCK-YBFXNURJSA-N 320.442 5.863 30 10 DKEE CC(C)(C)c1ccccc1[S+](c1ccccc1)c1ccccc1 59626248 VMHPBVYLIQRFMK-UHFFFAOYSA-N 319.493 6.080 30 10 DKEE CC(C)Oc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1 83204873 AFBPNGGHSBWSLG-LFYBBSHMSA-N 300.785 5.023 30 10 DKEE CCC1CCC(C#N)(Cc2ccc(F)c(Br)c2)CC1 87933686 LZARMYATROGHMR-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE Cc1ccc(C(F)(F)F)cc1Nc1ccc(Cl)cc1C#N 91480121 SGCUFOOWZMWSAE-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCCCCCCCCC[C@@H]1CCC[C@H](N)C1 100306309 PFHBAWRUQBDPAQ-RTWAWAEBSA-N 309.582 6.985 30 10 DKEE CCC#CCCc1cc(Cl)c(OCCC)cc1OCCC 107676680 OMOGGDHERBIPBJ-UHFFFAOYSA-N 308.849 5.264 30 10 DKEE CCCCCCCCO[C@@H](c1cccc(Cl)c1)[C@@H](N)CC 109988819 QAKNXBWHCWYZQH-ROUUACIJSA-N 311.897 5.496 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1cc(Cl)cs1 118823963 MMOXSNJDMPOYEB-INIZCTEOSA-N 316.938 6.746 30 10 DKEE CC(C)(C#N)c1ccc(N[C@H]2CCc3sc(Cl)cc32)cc1 123241630 PJBWDNJEXMIYNL-AWEZNQCLSA-N 316.857 5.302 30 10 DKEE CCCCCCCCC[C@H](CSC1CCCCC1)NN 126639463 SUKZNPCKIGYQCX-MRXNPFEDSA-N 300.556 5.025 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Cl)cc1F)NCCC 134223682 ACKKQHUUYVIOKE-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE C=CC[C@H]1C/C(=C/c2ccccc2)CCN1C(=O)OC(C)(C)C 137880456 YCLFBBSNFWMYFT-UMADGWCESA-N 313.441 5.046 30 10 DKEE Cc1ccc(C(=O)/C=C\Oc2ccc(Cl)cc2Cl)cc1 209923189 VTTWAFUTCQNWLO-HJWRWDBZSA-N 307.176 5.077 30 10 DKEE N#Cc1ccc(NCc2cc(Cl)ccc2Cl)c(Cl)c1 236054581 JGHSGURSKVIQMJ-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE Cc1ccc(-c2nc3cc(N=Cc4cccs4)ccc3o2)cc1 254447272 ABYOJFCAVIVRDQ-UHFFFAOYSA-N 318.401 5.615 30 10 DKEE OC1=N[C@H](C/C(O)=N/C2CCC3(CCCCC3)CC2)CCCC1 328829017 QUTVTFABRMLDPR-INIZCTEOSA-N 320.477 5.125 30 10 DKEE CCCC(CS)(CCC)CN(C)C1CCC(F)(F)CC1 710999402 KKBWBNQGMAZXHV-UHFFFAOYSA-N 307.494 5.013 30 10 DKEE CCC(C)(C)C1CCC2(CC1)C[C@H]2B1OC(C)(C)C(C)(C)O1 725349993 HFXRDCTVPXKBMH-XAUUPUKJSA-N 306.299 5.465 30 10 DKEE Fc1cccc(C(F)(F)F)c1-c1ccccc1C(F)(F)F 1848368211 WSPQMSJLIQPJOG-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCCCCCC[S@@](=N)(=O)c1cccc(C(F)(F)F)c1 1918092767 NSMBQZYFTFHPFH-HXUWFJFHSA-N 307.381 5.081 30 10 DKEE CCCCCCCCCC(=O)c1csnc1Br 1926867710 XIPAXEHVFMBGBM-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE CCCCCCC[C@H](O)c1sc(CC)cc1Br 1942108581 BUYVYPMBWCEPSP-ZDUSSCGKSA-N 319.308 5.467 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC1(C)C 2032104681 QPPURDPWNIDRBJ-LRDDRELGSA-N 306.247 5.273 30 10 DKEE C=CCC[C@@H](C)Oc1cc(Br)cc(C(F)(F)F)c1 2040517931 BAFWRHUXISBRTH-SECBINFHSA-N 323.152 5.201 30 10 DKEE C=CCC[C@@H](C)C[C@@H](NCC)c1cccc(Br)c1 2050516981 CZWFQOPQFWSECY-CZUORRHYSA-N 310.279 5.092 30 10 DKEE C#Cc1cc(C2CCC2)nn1[C@H](C)c1ccc(C2CCC2)cc1 2070121667 FJABVEYPUSKIPV-OAHLLOKOSA-N 304.437 5.009 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1cccc(C(C)C)c1 2070170379 KPZNZYHCZVHDQV-INIZCTEOSA-N 306.453 5.255 30 10 DKEE FC(F)(F)c1cccc(SC[C@H](CS)C2CCC2)c1 2089758664 REXSBKKTECGBTM-NSHDSACASA-N 306.418 5.144 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1nc(Cl)cs1 2142453541 SCNSABWOPYVEOE-CYBMUJFWSA-N 301.883 5.527 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1cc2cscc2s1 2148578530 LRHTUFCDOBFQPD-BBRMVZONSA-N 311.516 5.074 30 10 DKEE C[C@@H]1C[C@H](Nc2ccc(Cl)cc2C#N)c2ccsc2S1 2152742341 FYEKSBCLZUJQJP-OTYXRUKQSA-N 320.870 5.311 30 10 DKEE CCCCCCCCC[C@]1(O)CCC[C@@H](P(C)(C)=O)C1 2160802761 IPUOXPCKZZSCRG-SJORKVTESA-N 302.439 5.424 30 10 DKEE N#C[C@@]1(Cc2c(Cl)cccc2Cl)CCCCC12CCC2 2173620393 XPMTWFWTOKRZLD-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE C=CC1(C[C@@H](O)c2ccc(C(F)(F)F)cc2Cl)CCC1 2179259226 MJPBTFAEGVASQD-CYBMUJFWSA-N 304.739 5.139 30 10 DKEE C#C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C1CCCCC1 2203801299 DEJJVUAEHWEJTL-SJKOYZFVSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCCCSc1cc(N)ccc1Cl 2207402876 FQHAARDWXYUEDD-UHFFFAOYSA-N 311.922 6.321 30 10 DKEE C=CCCCCCCCC(=O)c1cnc(Cl)c(Cl)c1 2227283605 FCJCZSGJDYDLLE-UHFFFAOYSA-N 300.229 5.488 30 10 DKEE CCCCCCCCCCOc1cc(Cl)nc(Cl)n1 2231021110 YPYOZRCDHJEABZ-UHFFFAOYSA-N 305.249 5.303 30 10 DKEE CCSc1cccc(SCCCCCC2CC2)c1C#N 2235469133 HKBVYVIZWMAABV-UHFFFAOYSA-N 305.512 5.733 30 10 DKEE C=CCCCCCCC[C@H](NCCC)[C@H]1CSCCS1 2235518568 HWLNDAJAXMCPSW-DLBZAZTESA-N 315.592 5.120 30 10 DKEE C=C[C@H](CCCCC)Oc1cc(C(F)(F)F)cc(Cl)n1 2239494797 IHDUBJWVICKDDQ-LLVKDONJSA-N 307.743 5.268 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2279048309 VHMSDSOMBFKRPD-QGZVFWFLSA-N 316.316 6.313 30 10 DKEE C=CCCCSc1ccc([C@@H](C)NC)c(C(F)(F)F)c1 2287181273 HVFXSCVULCMXMG-LLVKDONJSA-N 303.393 5.044 30 10 DKEE CCCN[C@@H](C#CC1CCCCC1)c1cc(Cl)sc1C 2289617086 QHPGRIIKLQUGHF-INIZCTEOSA-N 309.906 5.334 30 10 DKEE CCCCCCC[C@@H](OCCC(=O)O)c1ccc(Cl)s1 2291901850 CCMKDQPUFKCEKR-GFCCVEGCSA-N 318.866 5.294 30 10 DKEE C=CCCCCC[C@H](OCCN)c1ccc(Cl)cc1Cl 2292885150 MGXLYTWFSWMCPL-INIZCTEOSA-N 316.272 5.146 30 10 DKEE CCCCCCCC[C@@H](OCCCN)c1ccc(Cl)o1 2293412544 CSHVEKGZDBUNEV-CQSZACIVSA-N 301.858 5.090 30 10 DKEE C=C1C[C@H]2CC(Nc3cc(C)c(Cl)cc3Cl)C[C@@H](C1)C2 2294707086 MDLKAUJPNVJKTG-PBWFPOADSA-N 310.268 5.849 30 10 DKEE CCCCc1ccc(-c2ccccc2)c(-c2cccc(C#N)c2)c1 2295149725 FUXVVLAJDVMFEL-UHFFFAOYSA-N 311.428 6.235 30 10 DKEE CCCCCCCCC[C@H](NN)c1sc(Cl)cc1OC 2295715608 YBWZWYKJYXJHBO-LBPRGKRZSA-N 318.914 5.055 30 10 DKEE C=CCC(C)(C)C(=O)c1ccc(Cl)c(Br)c1F 2304045890 KJOOAANXQGQLBD-UHFFFAOYSA-N 319.601 5.027 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2cccc(Cl)c2)c1 2323126270 OCDLXMOMPTUDSJ-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE CC1CCC(CSCCCCCCCCCS)CC1 2335249697 AHWUYSGIKQOHNU-UHFFFAOYSA-N 302.593 6.206 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NN)c1cc(Cl)c(Cl)cc1Cl 2344460442 QXVAURZBHYZESB-KBPBESRZSA-N 321.679 5.144 30 10 DKEE Cc1c(C[C@@](C)(C#N)c2ccccc2)ccc(Cl)c1Cl 2364220302 RBPUUOIKKVBWMS-KRWDZBQOSA-N 304.220 5.326 30 10 DKEE CCCCCCCCC[C@@](C)(CCSC)OCCCN 2365654452 PUWVHRYIQCSBEH-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE N#CC1(c2cccc(Br)c2)CC2(CCCCCC2)C1 86543315 VSXRUXSRASRMNS-UHFFFAOYSA-N 318.258 5.345 30 10 DKEE C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)c(Cl)c1 110258555 BNDUZYQEOZJAKO-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1cccc(Cl)c1 112885240 UFTYKQWITLAYDJ-IBGZPJMESA-N 310.909 6.684 30 10 DKEE CCCCCCCCCCCC[S@@](=O)c1ccccc1F 113941411 WRONVFZXIHDMMI-NRFANRHFSA-N 312.494 5.854 30 10 DKEE CCCCCCCCCCCC[C@H](CSCC)NCCC 115644361 OJJFTKOPZOXKNO-LJQANCHMSA-N 315.611 6.419 30 10 DKEE CCCCCCCCC[C@@H](N)CSc1ccccc1Cl 117520371 XYEQEONETLXYSZ-OAHLLOKOSA-N 313.938 5.900 30 10 DKEE CCCCCCCCCCOc1ccc([C@@H](C)N)cc1Cl 132129070 JBBLFBUJLUMSGG-OAHLLOKOSA-N 311.897 5.879 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccccc1SC 157890984 KZQSLUFNLUYPMR-GOSISDBHSA-N 307.547 6.200 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(C)c(Br)c(C)c1 164787162 VXUDFYGBLGJPSN-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE CCCCCCC#CC[C@H](CC(C)C)NC(=O)OC(C)(C)C 216250922 ZSELFWMRUYPRQY-QGZVFWFLSA-N 309.494 5.290 30 10 DKEE CC(C)(C#N)CCCCNc1c(Cl)cc(Cl)cc1Cl 232514119 OFGMXFZLONUOPC-UHFFFAOYSA-N 319.663 5.779 30 10 DKEE Cc1c(Br)cccc1C(=O)C1=CCCCCCC1 235754321 VYEGGJHCHIUTIX-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE CC(C)(C)C=NNc1nc2c(Cl)cc(Cl)cc2s1 254837832 VSFAKBHYXSPIFU-UHFFFAOYSA-N 302.230 5.047 30 10 DKEE C[C@](O)(c1ccc(Cl)c(Cl)c1)C1(C#N)CCCCCC1 307886310 AKRHTWCUGQVKBY-HNNXBMFYSA-N 312.240 5.065 30 10 DKEE CCCCCCCCC[C@H](N)c1ccsc1C(F)(F)F 394908683 LXDYIDHLNAPAAQ-ZDUSSCGKSA-N 307.425 5.907 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1cc(Cl)ccc1Cl 695712497 GKXHGJYLWYOGIK-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1nc(C)c(C)s1 701964145 WZBPHKZFHGCUAO-LBPRGKRZSA-N 304.484 5.211 30 10 DKEE C=C1CCC(C[C@@H](N)c2ccccc2OCc2ccccc2)CC1 724598802 FJLSKENAGUWLQJ-OAQYLSRUSA-N 321.464 5.402 30 10 DKEE CCCCc1ccc(N=Cc2c(C)n(C)c3ccccc23)cc1 1084456255 VRSLQLFDKIUHPA-UHFFFAOYSA-N 304.437 5.580 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ccc(Cl)cc1Cl 1920025626 KYASIJIRGPGVHL-KRWDZBQOSA-N 317.300 6.342 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(F)c(Br)c1 1920430204 JEIWYHAVDGQXAG-HNNXBMFYSA-N 316.258 5.123 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(Br)cc2Cl)CC1 2010604742 HXWUCHZSVNHEOK-SECBINFHSA-N 313.622 5.032 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](CC)c1cccc(Br)c1 2035362756 DOUDUEHBUKXXOE-CJNGLKHVSA-N 310.279 5.235 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](CC)c1ccc(CC)cc1 2070165408 QXWOLGDFOVUFMS-QFIPXVFZSA-N 314.432 5.093 30 10 DKEE CCCCCCCC(=O)c1cc(Br)cc(OC)c1 2080992119 AFKQCMZWABTKEW-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CCc1ccc(NCC#CC2CCCCC2)c(Br)c1 2095382811 IXQBEMCYCPVJOX-UHFFFAOYSA-N 320.274 5.007 30 10 DKEE C=C([C@@H](Cc1c(Cl)cccc1Cl)NCC)C(C)(C)C 2096621685 PLVREKFUQXQXQH-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE CCCC#CC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2138993515 JNSGYXYAMRMQJW-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE CCCCCCCCCCCCS[C@@H](C)[C@H](C)C(=O)O 2145195678 YKCSGXHNGYGGRC-HOTGVXAUSA-N 302.524 5.750 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc2cscc2s1 2147285175 UWUWKTAARMFTQN-MRXNPFEDSA-N 310.484 5.316 30 10 DKEE C#CC[C@@H](NCCC)c1ccc(-c2ccc(Cl)cc2)s1 2164220749 LEZPZIDVEYTTOC-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CC(C)(C)CCNCc1ccc(Cl)c(C(F)(F)F)c1 2236293366 QPOFBHIXQJPBCJ-UHFFFAOYSA-N 305.771 5.051 30 10 DKEE C=C(C)CCCC[C@@H](O)c1c(Br)sc(C)c1C 2250162338 XNFVYNUSSYORBC-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cocc1Br 2258107724 LWVDSKXAZUXWIB-OAHLLOKOSA-N 314.267 5.219 30 10 DKEE C=C(C)CCCC[S@@](=N)(=O)c1c(Cl)cccc1Cl 2259241519 MNYPLQUTCFJUDD-GOSISDBHSA-N 306.258 5.145 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1C 2270956113 IHRVPAKDULEYHI-MRXNPFEDSA-N 301.257 5.862 30 10 DKEE C=CCCSc1c([C@@H](C)NCCC)ccc(Cl)c1F 2271493012 PWLWZTPFDXEFDL-LLVKDONJSA-N 301.858 5.208 30 10 DKEE CCCCCCCCC[C@@H](NN)c1csc(Cl)c1OC 2284278774 BUETVVDMNLZNCY-CYBMUJFWSA-N 318.914 5.055 30 10 DKEE CCCN[C@H](C#CC(C)(C)C)c1cc(Cl)c(Cl)cc1C 2286479909 SOPRLZZXOVOKBL-MRXNPFEDSA-N 312.284 5.392 30 10 DKEE CSCC1(CC2(C#N)CCC(C)(C)CC2)CC(F)(F)C1 2289658794 YSUMHPGHRWQUEG-UHFFFAOYSA-N 301.446 5.265 30 10 DKEE CCC1CCC(C#N)(CC2(CSC)CC(F)(F)C2)CC1 2289668182 MONDUUYZOFDMFY-UHFFFAOYSA-N 301.446 5.265 30 10 DKEE CCCCCCC[C@@H](OCCC(=O)O)c1sccc1Cl 2292003340 UVZMPKZAWOJVRZ-CYBMUJFWSA-N 318.866 5.294 30 10 DKEE C[C@@H]1CCCC[C@@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366910777 UDGJUPPILRIAQP-DYVFJYSZSA-N 310.268 6.036 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2370486197 IRWOPQYCBLSRNJ-IAGOWNOFSA-N 314.300 5.506 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2370491697 QRXRLRXYMLBNFC-XHDPSFHLSA-N 316.272 5.255 30 10 DKEE COc1ccc2c(c1)CC/C(=C\c1ccc3ccccc3c1)C2=O 4826262 LKPWFNAURUXANK-CPNJWEJPSA-N 314.384 5.061 30 10 DKEE Cc1ccc(C(=O)/C=C\S/C=C/C(=O)c2ccc(C)cc2)cc1 12367662 XNRWHKNTDVFOBH-HEEUSZRZSA-N 322.429 5.130 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)cc1 36931100 QVKQWYLUZSFNDR-OAHLLOKOSA-N 318.203 5.046 30 10 DKEE C=C(C)Cn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 40235581 IITYCODCKXKJMJ-UHFFFAOYSA-N 320.436 5.315 30 10 DKEE C=Cc1ccc(COc2cc(C)c3c(c2)OC(=C(C)C)C3=O)cc1 41504533 BXZZUTOWMPHTIL-UHFFFAOYSA-N 320.388 5.086 30 10 DKEE CCCOc1cc(C)c(-c2csc(CC#N)n2)cc1C(C)C 76541312 SIBHQWKVBWQKPP-UHFFFAOYSA-N 314.454 5.097 30 10 DKEE CC(C)C1CCC(C#N)(Cc2ccc(Cl)cc2Cl)CC1 87959936 NAJJPHFNJSLQPO-UHFFFAOYSA-N 310.268 5.892 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2c(C)cccc2C)cc1 103029151 GQZICKUXAQIFIY-YPKPFQOOSA-N 323.436 5.291 30 10 DKEE CCCCCCCCC[C@H](N)[C@H]1CCCC[C@@H]1C(F)(F)F 139485692 ZCRKWZOWQHFJPH-JYJNAYRXSA-N 307.444 5.823 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(Br)c(Cl)c1 167682122 LMIOPHWLJPDERG-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE FCCOc1ccc(C#Cc2ccc(-c3ccccc3)s2)cc1 197005298 AFKOKSXNUAJEON-UHFFFAOYSA-N 322.404 5.163 30 10 DKEE CCCCCCc1ccc(N=Cc2ccc(C(=O)O)cc2)cc1 254828866 VZZBLEXSNLQLSV-UHFFFAOYSA-N 309.409 5.258 30 10 DKEE CCCCCCCC[C@H](O)c1c(C)cccc1Br 311101267 PVFZLZALECCZGM-HNNXBMFYSA-N 313.279 5.542 30 10 DKEE CCCC(CS)(CCC)COc1cc(Cl)ccc1C#N 383669855 SWIJADNUIHELRU-UHFFFAOYSA-N 311.878 5.107 30 10 DKEE C#CCCCCC[C@@H](NC)c1cccc(OCc2ccccc2)c1 686690418 VUXAXRLEWHLTNM-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@@H](C#N)Sc1ccccc1Br 704941149 VLMUGCIJULGOFL-LALPHHSUSA-N 324.287 5.260 30 10 DKEE CCCCCCCC[C@@H](N)c1oc(C)cc1Br 706230019 ICYABHVZFWPOQT-CYBMUJFWSA-N 302.256 5.101 30 10 DKEE CCCCCCCCNC(=O)c1cc2cc(Cl)ccc2o1 1859664575 JHAYZGZYKCYKAR-UHFFFAOYSA-N 307.821 5.177 30 10 DKEE COc1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1Cl 1874622956 DTPHGHFGMHMFDS-PKNBQFBNSA-N 322.791 5.398 30 10 DKEE C=CCC[C@H](C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 1975935083 JBRCOPHDGYJYBM-ZDUSSCGKSA-N 317.429 5.127 30 10 DKEE CC[C@](C#N)(C1CCCCC1)N(C(=O)OC(C)(C)C)C1CCC1 1975999453 WSJJRRZAYWXCHP-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=CCC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2045766751 LBMYIJFPMHYICK-GFCCVEGCSA-N 306.664 5.654 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cccc(Br)c1 2085842510 ROGGAXFMXGJTGJ-INIZCTEOSA-N 310.279 5.150 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)c(F)c1 2085843098 YECROWASKYKXQJ-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE C=CC1(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)CCC1 2111696918 DGRRRJNPGIXBEK-JTQLQIEISA-N 302.220 5.139 30 10 DKEE C=CC[C@@H](C)[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164166499 UOLOVIPVLUFJIA-SJKOYZFVSA-N 305.874 5.541 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cscc2C(F)(F)F)C1 2168539133 HVFCFYGUUOTGSD-CQSZACIVSA-N 301.377 5.420 30 10 DKEE CC1(C)CC=C(C(=O)c2cc(-c3cccs3)cs2)CC1 2181665491 AVGAMHHRJQRSLA-UHFFFAOYSA-N 302.464 5.796 30 10 DKEE C=CCC(C)(C)OC[C@@H](NCC)c1cccc(Cl)c1Cl 2187282538 CAVANCZNFDIQTF-CQSZACIVSA-N 316.272 5.015 30 10 DKEE C=C[C@@H](N[C@@H](c1ccco1)c1ccc(Cl)s1)C1CCC1 2197829265 ISPKWYVOGKUBFF-WBMJQRKESA-N 307.846 5.028 30 10 DKEE C=C[C@H](CC)OCc1c(Br)sc2ccccc12 2216977487 NUHKTABFDHOAEC-SNVBAGLBSA-N 311.244 5.145 30 10 DKEE Cc1sc(C(=O)C=Cc2ccccc2)c(Br)c1C 2221833943 REEADGMMJXIEFA-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE C=CCCCCCCCC(=O)c1cc(Br)ccc1C 2227283459 ZXCKTWGYSZGPDH-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(Cl)cc(Cl)c1 2238011851 GMFZQIHGPZKFRZ-PBFPGSCMSA-N 312.284 5.779 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@@H](C)NCC)c(C)c1 2248948285 BRKMLENRDGLCAT-LJQANCHMSA-N 322.496 5.248 30 10 DKEE CCCCC[C@@H](CC)N(C)c1c(Br)cccc1C#N 2269698261 RYHRYDPUJVMCMZ-CQSZACIVSA-N 323.278 5.116 30 10 DKEE CCCN[C@@H](C#CC(C)(C)C)c1cc(Cl)c(Cl)cc1C 2286479908 SOPRLZZXOVOKBL-INIZCTEOSA-N 312.284 5.392 30 10 DKEE CC(=O)C=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2294769493 DDBIWQIWYRTYFY-UHFFFAOYSA-N 321.203 5.175 30 10 DKEE CC(=CCOCCCB1OC(C)(C)C(C)(C)O1)CCCC(C)C 2300870219 RPXRXGJSDQWROL-UHFFFAOYSA-N 324.314 5.258 30 10 DKEE C=C[C@@](C)(CNC1CCC1)Cc1ccc(Cl)c(Cl)c1C 2364047911 GPGOWGVWJKDPFZ-QGZVFWFLSA-N 312.284 5.179 30 10 DKEE Cc1c(CNCCCCC(C)(C)C#N)ccc(Cl)c1Cl 2364477077 QMUUEMGIPAGSJQ-UHFFFAOYSA-N 313.272 5.112 30 10 DKEE C=C(C)COc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 9823974 ZKLQPOAAIUWJAP-UHFFFAOYSA-N 323.436 5.191 30 10 DKEE Cc1ccc(S[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)cc1C 37155451 JLSVFLACVCLHHH-NUJGCVRESA-N 301.499 5.750 30 10 DKEE CC(C)Oc1ccc(C(=O)/C=C/c2ccccc2)c(Cl)c1 83193916 LNVUXQOAGHOTAL-DHZHZOJOSA-N 300.785 5.023 30 10 DKEE CCCCCCCCCCCc1nnc(CNCCC)s1 116083675 AFWJCEMVPRVQON-UHFFFAOYSA-N 311.539 5.111 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1sccc1Cl 122643356 UWNQHAUDBLOWMO-CQSZACIVSA-N 302.915 5.437 30 10 DKEE CCCCCCCCCCNCc1c(Cl)cccc1Cl 129210510 PBOZGJMSIHFDEU-UHFFFAOYSA-N 316.316 6.224 30 10 DKEE CCCCCCCCCCN[C@H](CC)c1cccc(Cl)c1 129282317 ALHARROHJFPZEM-LJQANCHMSA-N 309.925 6.521 30 10 DKEE N#Cc1ccc(N[C@@H]2CCc3sc(Cl)cc32)cc1Cl 129514349 PHUCWNQQVXKGOL-GFCCVEGCSA-N 309.221 5.026 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(C)c(F)cc1Cl 156384018 GGCIBFPOIMTSTC-SFHVURJKSA-N 313.888 6.189 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(C)ccc1Br 163740615 SRXYKTIPTMMUOM-CQSZACIVSA-N 312.295 5.918 30 10 DKEE CCCCCCCCCOc1ccc(-c2ncc[nH]2)cc1OC 169964933 IKWZIFOTRSSNRT-UHFFFAOYSA-N 316.445 5.215 30 10 DKEE CC(C)c1cccc(Nc2cc(Br)cc(C#N)c2)c1 227607088 NSRURVPAUSBPNJ-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C=CCCCCC[C@@H](N)c1cccc(Br)c1Cl 236316010 HWRMBUAZBZYCLT-CYBMUJFWSA-N 316.670 5.239 30 10 DKEE CC(=NO)c1ccc(C)cc1OCc1ccc(Cl)c(Cl)c1 252453694 RPXBCSXWRIUKGK-UHFFFAOYSA-N 324.207 5.079 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccccc1)C1CC1 384430267 QGTPYLAAZYAIIW-UHFFFAOYSA-N 305.531 5.167 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H](C)OCc1ccccc1 404433236 GDXVTDOOLKRLBM-QUCCMNQESA-N 305.506 5.320 30 10 DKEE CCCCCCC[C@@H](N)c1cccc(NC(=O)OC(C)(C)C)c1 406757170 KREIWPAVQGMRMU-QGZVFWFLSA-N 320.477 5.394 30 10 DKEE CCCCCCCCCCCC[C@]1(O)CCCSCC1 692470170 YWGVAVKWBNFDNC-SFHVURJKSA-N 300.552 5.946 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(Br)c(F)c1C 696096795 NUFBCLUVEHBFHV-CQSZACIVSA-N 314.242 5.033 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1ccc(Br)s1 703949530 VPNIAWQVAYDCSV-LLVKDONJSA-N 316.308 5.154 30 10 DKEE N#Cc1cccc(NN=NC2CCCCCCCCCCC2)c1 1860491191 KGHSRUUAJUIFQE-UHFFFAOYSA-N 312.461 6.011 30 10 DKEE COc1ccc(Cl)cc1/C=C/C(=O)c1ccc2ccccc2c1 1874571613 XAIPBZUGLIBUDH-CSKARUKUSA-N 322.791 5.398 30 10 DKEE C=CCCC[C@H](O)c1ccc(-c2ccc(Br)cc2)o1 1919681906 OHVGXHAXZWTALG-AWEZNQCLSA-N 321.214 5.099 30 10 DKEE CCCCCCC[C@H](N)c1scc(Br)c1C 1922966892 ZVEIHONVSCLLBP-LBPRGKRZSA-N 304.297 5.179 30 10 DKEE CCCCCCCCNCCCCCN(C)Cc1ccccc1 1986310855 WJCIKRKDDMOMSN-UHFFFAOYSA-N 318.549 5.239 30 10 DKEE C=CCCCCCCCCCC(=O)[C@H](C)OCc1ccccc1 1995327354 HFZUVUSVEKAWIT-IBGZPJMESA-N 316.485 5.858 30 10 DKEE C#CCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2045653667 YQDGUQFHAQFFEU-GFCCVEGCSA-N 304.648 5.230 30 10 DKEE C#CC(C)(C)C[C@@H](NCCC)c1cc(Cl)sc1Cl 2048686395 HKPPXXGVMXXORX-LLVKDONJSA-N 304.286 5.145 30 10 DKEE C=CC1(C[C@H](NCC)c2cc(Cl)sc2Cl)CCC1 2049038452 UFWIARQIVMAIDQ-NSHDSACASA-N 304.286 5.452 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cccc(Br)c2C)CC1 2061179711 SCYMPBQQRSURDP-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE C#CC[C@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2076093133 UTEGVVKUKLVOSX-CMPLNLGQSA-N 304.286 5.145 30 10 DKEE CCCCCCCC[C@H](NCC)c1scc(Cl)c1Cl 2096219362 WSGYQFDNSJFBDC-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1cc(Cl)ccc1Cl 2141914263 PZIXSGRGYPBAGD-MRXNPFEDSA-N 300.273 5.694 30 10 DKEE C=CCCCCCCCCNc1ccc(Cl)cc1Cl 2142445782 JPQFOGBBVUMRRS-UHFFFAOYSA-N 300.273 6.322 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1c(Cl)cccc1Cl 2148591354 XIQIPOGYPUVPND-GOEBONIOSA-N 318.288 5.105 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H](O)c1ccc(Cl)s1 2148593195 XVGMSPUJSINFAO-BBRMVZONSA-N 317.926 5.293 30 10 DKEE CCCCCCCCC[C@@H](N)[C@@H](O)c1cc(Cl)sc1C 2154433780 HVRVEPUOYXHVJG-ZBFHGGJFSA-N 317.926 5.211 30 10 DKEE CCc1nc(Sc2ccc(Cl)c(Cl)c2)c(C#N)cc1C 2155473505 FDIBALCQMFBZLC-UHFFFAOYSA-N 323.248 5.282 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cnc(Cl)cc2Cl)CC1 2157121350 UWEKWLDBGJOKRD-MRXNPFEDSA-N 311.256 5.431 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cscc2C(F)(F)F)C1 2157159032 CNWQSWCZPOIIRY-BXUZGUMPSA-N 301.377 5.420 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(F)c(Cl)cc1F 2158319913 HKPZRZSAOVYAJE-BZNIZROVSA-N 301.808 5.261 30 10 DKEE C=CCCCCCC[C@H](NCCC)[C@H]1SCCS[C@@H]1C 2206897335 AYGXVJUUQILXAA-IKGGRYGDSA-N 315.592 5.118 30 10 DKEE CCCCCCCC[C@](C)(C#N)N(CCC)C(=O)OC(C)(C)C 2212660383 NFHKPHJECNCHAN-LJQANCHMSA-N 324.509 5.666 30 10 DKEE CCCCCCCC[C@H](C)Nc1cccc(Br)c1 2223848818 STZSJDAXZJZNJP-AWEZNQCLSA-N 312.295 6.000 30 10 DKEE C=C[C@H](CCCCC)OC[C@H](N)c1c(Cl)cccc1Cl 2239490716 UCOYOUHIHXJLSZ-DOMZBBRYSA-N 316.272 5.145 30 10 DKEE CCCCCC[C@@H](C)Oc1c(Br)cccc1C#N 2257504518 QJURWJLZMFQSKE-GFCCVEGCSA-N 310.235 5.058 30 10 DKEE Cc1cc(C#N)ccc1CNc1cc(Cl)c(Cl)cc1C 2281507882 GTTCXXUIJFVUGZ-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CCCCCCCCSC[C@@H](NCC)c1ccsc1 2287191755 JLACDRFWLCKGOV-QGZVFWFLSA-N 311.560 5.659 30 10 DKEE CCCCCCCCC[C@H](CCCSC)OCCCN 2293462975 IUVOOVOGQLBMQS-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE Cc1cc2c(cc1C)C(=O)C(=Cc1c(Cl)cccc1Cl)O2 2314519323 IWJOUMOWXLDQCX-UHFFFAOYSA-N 319.187 5.226 30 10 DKEE C=CCC(CC=C)[C@](C)(O)c1cc(Cl)cc(Cl)c1F 2338732526 KAQHSSKWXVGZNS-HNNXBMFYSA-N 303.204 5.108 30 10 DKEE C=CC[C@](C)(CC)[C@H](NN)c1cc(Cl)c(Cl)c(Cl)c1 2344460536 RPNYRNPUOWAALX-KGLIPLIRSA-N 321.679 5.144 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)Cc1cc(F)c(Cl)cc1Cl 2349893633 QYPNKJWRCMRELQ-LSDHHAIUSA-N 305.220 5.028 30 10 DKEE C=CCCCCCCCSc1ccc(C)c(Cl)c1C=O 2360719036 LEMMECSRTXHTKE-UHFFFAOYSA-N 310.890 6.080 30 10 DKEE C=CCCCSc1cc(Cl)c(F)cc1CNC1CCC1 2362447092 RUXIGTHAMXWHQV-UHFFFAOYSA-N 313.869 5.180 30 10 DKEE CCCC#CC[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377370460 DPTSYKVCWVXRSC-INIZCTEOSA-N 316.247 5.367 30 10 DKEE C[C@@H](N[C@@H]1CCCCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 54823840 UOHSKFPKPXURTI-XHBSWPGZSA-N 311.256 5.116 30 10 DKEE Cc1cc(OC(C)C)c(C)c(C)c1C(=O)/C=C/c1cccs1 83193458 LKOLYOQXLFOCAB-CMDGGOBGSA-N 314.450 5.357 30 10 DKEE CCCC(CS)(CCC)CSc1ccc(C(C)C)cc1 94588805 HZXSDFKTJCKZNW-UHFFFAOYSA-N 310.572 6.419 30 10 DKEE SCCCCCCCCCN1CC[C@@H](c2ccccc2)C1 97799080 NXFXKGOMXHCQNE-LJQANCHMSA-N 305.531 5.136 30 10 DKEE CCCCCCCCCCOCCc1ccc(N(C)C)cc1 100312377 MVFUEYUQRWCVLF-UHFFFAOYSA-N 305.506 5.452 30 10 DKEE CCCCCCCCO[C@H](c1ccccc1Cl)[C@H](N)CC 109988718 OORQOMZQPLJPEE-QZTJIDSGSA-N 311.897 5.496 30 10 DKEE CCCCCCC[C@@H](CN)N(C)[C@@H](C)c1ccc(Cl)cc1 110026787 NJCJYDUNGRTGDG-YJBOKZPZSA-N 310.913 5.021 30 10 DKEE CCCCCCCCCCCC[C@H](NC)[C@H]1CCCCS1 157712677 NPMNQHNKEXNWDG-RBUKOAKNSA-N 313.595 6.171 30 10 DKEE Cc1cccc(C#N)c1Nc1cc(Cl)ccc1Br 221089090 AUICCVQXYARPLZ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(C2(CC#N)CC2)cc(Cl)c1OCc1ccccc1 260369635 CZFMHFSICIQYSP-UHFFFAOYSA-N 311.812 5.173 30 10 DKEE CCCCCCC[C@H](O)c1cc(F)c(F)cc1Br 310757913 XQAGDYOPPQVHIU-AWEZNQCLSA-N 321.205 5.121 30 10 DKEE CCCS[C@@H]1CCCN(CCCCCCCCCS)C1 383044516 LSQMHQDJJISDJC-QGZVFWFLSA-N 317.608 5.255 30 10 DKEE CCCCCCCC[C@H](NC)c1ccsc1C(F)(F)F 394916112 RTSOWAJGIIYWEZ-ZDUSSCGKSA-N 307.425 5.778 30 10 DKEE CCCCCCCCC[S@@](=O)Cc1ccc(Cl)cc1F 526912958 RYXNMSXYLITEQG-HXUWFJFHSA-N 318.885 5.478 30 10 DKEE CCCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698382870 ZLUAFOMGPJBLGX-APWZRJJASA-N 324.509 5.665 30 10 DKEE C=CCCCCC[C@H](NCC)c1cscc1C(F)(F)F 717207188 JFKDIWRJYKCHHK-AWEZNQCLSA-N 305.409 5.554 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@](C#N)(CC)CC1CCCCC1 720376905 PRAGVNAXMJFYOV-LJQANCHMSA-N 322.493 5.276 30 10 DKEE N#Cc1cc(Cl)ccc1-c1cc(Cl)c(Cl)cc1Cl 1848359981 HRDTZXPUICUHNL-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1F)c1cccc(Cl)c1 1857938159 QARVNKLZLNEXID-VXLYETTFSA-N 312.171 5.073 30 10 DKEE CCCCCCCCCCNC(=O)CCCc1ccc(F)cc1 1859577663 IAAHPWKMOBXVAR-UHFFFAOYSA-N 321.480 5.405 30 10 DKEE C=CCN(C(=O)c1cccc(F)c1)C1CCC(C(C)(C)C)CC1 1860017329 DPEUIRYHEADDQQ-UHFFFAOYSA-N 317.448 5.059 30 10 DKEE C=CCCN(CCCCCCCNCCC)Cc1ccccc1 1900661815 JMJDIPPNJGOSFG-UHFFFAOYSA-N 316.533 5.015 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)CC1CCC1 1990794196 UTWQJUWUINVZGW-UHFFFAOYSA-N 315.545 6.429 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](CC)c1ccc(Br)cc1 2035363559 KVMGCPSIACSEDO-XJKSGUPXSA-N 310.279 5.235 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2040524010 ZKVGYHUZHTXZKO-GXFFZTMASA-N 306.302 5.698 30 10 DKEE C=CCCCCOc1cc(C(F)(F)F)ccc1Br 2059123581 LUVGJDFFFHWOFX-UHFFFAOYSA-N 323.152 5.203 30 10 DKEE C=C([C@H](O)c1ccc2cc(Br)ccc2c1)C(C)(C)C 2096629506 CBZRGGCCOGRYEF-INIZCTEOSA-N 319.242 5.238 30 10 DKEE CCCCCCCCCC[C@H](N)c1ncc(SC)s1 2098408137 KAINDETUDOZMKE-ZDUSSCGKSA-N 300.537 5.396 30 10 DKEE C=C1CCC(C[C@@](N)(CC)c2cccc(Br)c2)CC1 2098442212 HDMZNOJCKDNDPD-KRWDZBQOSA-N 322.290 5.150 30 10 DKEE Cc1cc(Cl)cc(Cl)c1Nc1ccc(Cl)cc1C#N 2136382842 BZRIVEBRBHDJPV-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCc1ccc(N=C2N[C@@H](c3ccsc3)CS2)cc1Cl 2175637557 WWENCPVWIWUWQZ-CQSZACIVSA-N 322.886 5.029 30 10 DKEE C=C1CC(C[C@@H](CSc2ccc(Cl)cc2)NCCC)C1 2182157582 HVAVFMDQWBRIKC-INIZCTEOSA-N 309.906 5.157 30 10 DKEE CC#CCCC[C@@H](NCCC)c1csc(C(F)(F)F)c1 2194062419 DJQWQVBNSKBTKZ-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(C)cc1Cl 2201359932 ZRCMGNLQDZVYEL-KRWDZBQOSA-N 317.300 6.476 30 10 DKEE CC(C)(C)OC(=O)N1CCC[C@@]1(C#N)CCCCCCC1CC1 2210527990 YSOZGRYZCHTGCS-LJQANCHMSA-N 320.477 5.030 30 10 DKEE C=CCCCCCCCOc1c(F)cccc1Br 2220089421 PWUOFUMTPMYHQA-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1cc(Cl)ccc1Cl 2231535440 GVSGQBYAELUYOL-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCCN(C)[C@@H](C)C(F)(F)C(F)(F)F 2235769783 XLAMEFSWUTVDLX-LBPRGKRZSA-N 301.343 5.031 30 10 DKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)c1cscc1Cl 2239461742 GPRLJLJXIKEHDO-INIZCTEOSA-N 324.276 5.147 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccccc1OCc1ccccc1 2250160632 ATLMELYMWXNUAN-NRFANRHFSA-N 323.480 5.663 30 10 DKEE C=CCCCCCCCC[S@](=N)(=O)CCC(F)(F)CC 2283707601 VSTOIMVHUGMLRP-FQEVSTJZSA-N 309.466 5.385 30 10 DKEE CCCCCCCCOc1cc(Cl)sc1CNC1CC1 2288319525 DTSXZZYMCJJJLT-UHFFFAOYSA-N 315.910 5.393 30 10 DKEE CCCCCCCCC[C@@H](C)Nc1cc(Cl)ccc1Cl 2295672175 ZTTJOTFTLIFZKI-CQSZACIVSA-N 316.316 6.935 30 10 DKEE CCOc1ccc(C(=O)C=Cc2sccc2C)cc1Cl 2295967856 DBYHJEAKTAITRP-UHFFFAOYSA-N 306.814 5.005 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc([C@@H](C)NCC)c(C)c1C 2302230665 JTVHRVXKVKAXND-LJQANCHMSA-N 322.496 5.167 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1ccc(Br)cc1CC 2321175424 VVSUYKYMDINBFG-INIZCTEOSA-N 309.247 5.187 30 10 DKEE Cc1ccc(F)c([C@H](C#N)Nc2cccc(Cl)c2)c1Cl 2360760820 DFUALRQITLBAQE-ZDUSSCGKSA-N 309.171 5.118 30 10 DKEE CC(C)(C)C#CC=CCC(=O)c1cc(F)c(Cl)cc1Cl 2377420790 VKWUXVZYCKNRTE-UHFFFAOYSA-N 313.199 5.311 30 10 DKEE CCCCCCCCC[C@]1(C)CC(=O)c2ccc(O)cc2O1 43990043 QXSOXXCVPXJEIJ-LJQANCHMSA-N 304.430 5.257 30 10 DKEE Cc1cc(C)cc(/N=C/c2ccccc2OCc2ccccc2)c1 59514049 HZZPYQQHYNCMMH-HZHRSRAPSA-N 315.416 5.633 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426777 JIAUDNAHEVBEBI-UMVBOHGHSA-N 322.905 5.572 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1ccc(Cl)c2ccccc12 83193057 ZOOBKJHLFHHOJE-CMDGGOBGSA-N 312.821 5.759 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(C)c(Br)c(C)c1 164787235 VXUDFYGBLGJPSN-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE C=CCNc1ncnc2scc(-c3ccc(C(C)C)cc3)c12 169857118 BEVULCHAHLOHAL-UHFFFAOYSA-N 309.438 5.080 30 10 DKEE CCCCCCCCSc1cccc(Br)c1 206951010 DRQZBXOAFYUCEU-UHFFFAOYSA-N 301.293 5.902 30 10 DKEE C[C@H](Nc1cccc(F)c1C#N)c1cc(Cl)sc1Cl 235551706 LNZQVELAFLKULG-ZETCQYMHSA-N 315.200 5.239 30 10 DKEE CC1=C2CCC[C@H]2CCC1=NNc1nc(-c2ccccc2)cs1 254626929 LNHZDARYSGKXNW-AWEZNQCLSA-N 323.465 5.488 30 10 DKEE N#CC1(Cc2cc(Cl)ccc2Br)CCCCC1 310296094 AOPBOLVUKFRGPG-UHFFFAOYSA-N 312.638 5.119 30 10 DKEE CCCCCCCCN[C@@H](CN(C)Cc1ccccc1)C(C)C 397961656 PNJOEHORRBJIHY-NRFANRHFSA-N 318.549 5.093 30 10 DKEE CCC[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468663 KDOCCOOLNQYZPG-RDJZCZTQSA-N 316.445 5.065 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@@H](C#N)Sc1ccccc1Br 704941151 VLMUGCIJULGOFL-TYNCELHUSA-N 324.287 5.260 30 10 DKEE C[C@H](Nc1cc(F)cc(C#N)c1)c1c(Cl)cccc1Cl 718626311 LKQCXUYHFHIRJP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1cc(C)c(C=Nc2sc3c(c2C#N)CCCC3)c(C)c1 1084166954 FKFPWCZVKBGBQW-UHFFFAOYSA-N 308.450 5.174 30 10 DKEE CCCCCCCCCn1c([C@@H](C)N)nc2cc(C)ccc21 1857801844 OPDWNEQSNACVEF-MRXNPFEDSA-N 301.478 5.115 30 10 DKEE C/C(=N\OCc1ccccc1)c1ccc(-c2ccccc2)cc1 1857936432 LZCHWZLYLNRHBO-OQKWZONESA-N 301.389 5.294 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1ccc(Cl)cc1 1857936477 OEUOGYBINKWIFB-KGENOOAVSA-N 309.796 5.434 30 10 DKEE Cc1ccc(C#N)c(N(Cc2ccccc2)Cc2cccs2)c1 1915436510 VGVNCNNTDBTCFS-UHFFFAOYSA-N 318.445 5.135 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)C2CCCC2)c(Cl)c1 1932027934 UOTLNUJLAKDDKA-UHFFFAOYSA-N 310.828 5.161 30 10 DKEE CCCCCCCN[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1 1977481084 IWANPFAJGNNRBT-NRSPTQNISA-N 317.517 5.320 30 10 DKEE C=CCC[C@H](C)Nc1cc(Br)c(Cl)cc1C 1993937297 XSVADSLXTCRNTJ-JTQLQIEISA-N 302.643 5.178 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)c(F)c1 2085853010 YECROWASKYKXQJ-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE C=C([C@@H](NCC)c1cc2sc(C)cc2s1)C(F)(F)F 2100321767 DEGDTEUJVYWBRR-GFCCVEGCSA-N 305.390 5.040 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccc(Br)cc1C 2123081493 XGTZUQOJAXNQLZ-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C=CCCC[C@H](NCC)c1c(Cl)ccc(Cl)c1OC 2139373335 MIIKFFHEXCOJJE-ZDUSSCGKSA-N 302.245 5.009 30 10 DKEE CCCCCCC[C@H](O)c1ccc(C(F)(F)F)c(Cl)c1 2146762668 JSRYDVVAKXWNDX-AWEZNQCLSA-N 308.771 5.753 30 10 DKEE CSc1ccc(-c2nc(-c3cccc(C#N)c3)cs2)s1 2149705049 AULFRWDOHNUDLY-UHFFFAOYSA-N 314.460 5.132 30 10 DKEE CCC1(CC)CN(CCCCCCCCCS)CCS1 2170900078 NSGIRYVHVBHPKR-UHFFFAOYSA-N 317.608 5.255 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(C(F)(F)F)cc1Cl 2179258559 FRYDFIWNVLWPPU-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCCCCC[C@@]1(O)CS[C@@H](C(F)(F)F)C1 2189219338 APAKZJZKJBIIEM-KGLIPLIRSA-N 312.441 5.316 30 10 DKEE CCCCCCCCCN(C)[C@@H]1CC[C@@H](P(C)(C)=O)C1 2195536984 JNOGNGDPVPPFKE-IAGOWNOFSA-N 301.455 5.213 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)[C@@H](C)C(C)(C)C 2211147062 VOWZILHGFLAYHR-FQEVSTJZSA-N 315.545 6.450 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1cc(Cl)ccc1Cl 2235541392 HXGFTAXDMQEMNP-MRXNPFEDSA-N 314.300 5.780 30 10 DKEE C=C(C)CCC(=O)c1c(Cl)cc(Br)cc1Cl 2243526803 ZQVUYRWICBDSQG-UHFFFAOYSA-N 322.029 5.295 30 10 DKEE C=C(C)CCCC[S@](=N)(=O)c1cc(Cl)cc(Cl)c1 2259175264 CICUSOACDLPWMV-SFHVURJKSA-N 306.258 5.145 30 10 DKEE CC1(C)CCC(C#N)(Cc2c(F)cccc2Br)CC1 2273937478 RTBSKKYRBHPRLL-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Cl)cc1Cl 2284097368 ZDOMJUBUPHKJBO-INIZCTEOSA-N 310.268 5.250 30 10 DKEE C=CCCCCCCCS[C@@H](c1cccs1)[C@H](N)CC 2287096780 OUKVNLBRYMVHQW-NVXWUHKLSA-N 311.560 5.786 30 10 DKEE N[C@H](CC#CC1CCCC1)c1cc(-c2cccs2)cs1 2289840243 NPXSMDONKHZVFO-OAHLLOKOSA-N 301.480 5.060 30 10 DKEE C=C(C)CCCCOc1c(Cl)cc(CNCC)cc1Cl 2296258744 ZXEKYXDESIPIMH-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2321132694 AIJOVKFGGUNIKZ-LKFCYVNXSA-N 306.664 5.510 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Cl)c(Cl)s1 2339571936 JYNQEQKHLUVSPQ-CMPLNLGQSA-N 316.297 5.145 30 10 DKEE C=CCC(CC=C)Sc1ccc(F)c(Cl)c1CNCC 2360370432 DWVMGKYGXKBVRR-UHFFFAOYSA-N 313.869 5.202 30 10 DKEE C=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1C 2364017014 FUXDYQOXWKHFRF-GASCZTMLSA-N 310.268 5.375 30 10 DKEE COc1c(Cl)cc(C[C@@]2(C#N)CCC[C@@H](C)C2)cc1Cl 2365499348 UQKYVOLJEYIRCH-BDJLRTHQSA-N 312.240 5.265 30 10 DKEE CCCCCCCC(=O)Cc1cc(Cl)c(OC)c(Cl)c1 2365675251 NQVCGRGUSNEBLK-UHFFFAOYSA-N 317.256 5.474 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@H](C)c1ccc(Cl)c(Cl)c1 37089243 FMDONLVSLJCHAF-SNVBAGLBSA-N 323.198 5.486 30 10 DKEE C[C@H](CCS)CCOc1cc(Cl)c(Cl)cc1Cl 94583548 QCEPTYNOJGUCDG-QMMMGPOBSA-N 313.677 5.372 30 10 DKEE CCCCCCCCOP(O)OCCCCCCCC 101134094 XMQYIPNJVLNWOE-UHFFFAOYSA-N 306.427 5.960 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ccc(Cl)cc1 109717205 SLTVBZMDBLIHIT-LJQANCHMSA-N 309.925 6.651 30 10 DKEE C=C(CNc1c(C)cc(C)cc1Br)c1ccccc1 134370349 MKWPUVZHYUBOJA-UHFFFAOYSA-N 316.242 5.191 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(F)c(Cl)cc1F 157817148 ZMDMXHJIFMYAQB-MRXNPFEDSA-N 303.824 5.759 30 10 DKEE O=C1/C(=C2\CC=CC=C2Cc2ccccc2)C=Cc2ccccc21 514278448 DRFUCGPRNJGGKA-LSDHQDQOSA-N 310.396 5.322 30 10 DKEE N#Cc1cccc(Cn2ccc3c(C4CCCCC4)nccc32)c1 821286316 STKLBPBQNOJQFE-UHFFFAOYSA-N 315.420 5.004 30 10 DKEE N#Cc1ccc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1 1848368202 VUMRBRWHYYQGGL-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCCCCCCCCCCC(=O)NCCc1ccc(F)cc1 1865985012 VFEIOSNAXJFYIK-UHFFFAOYSA-N 321.480 5.405 30 10 DKEE C=CCC(CC=C)c1ccc(Br)c(Cl)c1F 1901007433 GXARAPVJFVOOQN-UHFFFAOYSA-N 303.602 5.477 30 10 DKEE CCCCCCCC[S@@](=N)(=O)c1c(Cl)cccc1Cl 1917888465 YZTWFTAOKZIZLU-LJQANCHMSA-N 322.301 5.760 30 10 DKEE C=C([C@@H](NCCC)c1csc2ccccc12)[Si](C)(C)C 1922870237 SHKAOLVMJPOESB-QGZVFWFLSA-N 303.547 5.376 30 10 DKEE C=C([C@H](O)c1c(Cl)ccc(Cl)c1Cl)[Si](C)(C)C 1922964604 DZIKLFQQUXPQMV-LBPRGKRZSA-N 309.696 5.114 30 10 DKEE C=C1C[C@H]2CC(Nc3cscc3Br)C[C@@H](C1)C2 1926868027 IUMWBYYQSBTGBT-FOSCPWQOSA-N 312.276 5.057 30 10 DKEE CCCCCCCCN(CCN(CC)CC)Cc1ccccc1 1990765865 YCSGRTUKODKHRH-UHFFFAOYSA-N 318.549 5.191 30 10 DKEE C=CCCCCC[C@H](O)c1cc(C)cc(Br)c1F 2028934118 VLGRBYGPRODFRU-AWEZNQCLSA-N 315.226 5.067 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccc(C)c(Br)c1 2043820023 DNPCVTACODYCRQ-KBPBESRZSA-N 310.279 5.153 30 10 DKEE CC1(C)CCC(C#N)(Cc2cc(Cl)sc2Cl)CC1 2074835247 NQKBKASMCSGFOK-UHFFFAOYSA-N 302.270 5.708 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cccc(Br)c1C 2083291610 KYWWJMBJUHGRGH-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Br)ccc1C 2102111324 LYBCDXXPDLVFOK-PBHICJAKSA-N 324.306 5.401 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@H](C#N)c2ccc(Br)cc2F)C1 2141242530 PXUOIBPRATXDGX-YFCNSXCBSA-N 324.237 5.268 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(C)c(Br)c1C 2141905631 NBBKCSOJPWEPFL-MRXNPFEDSA-N 324.306 5.592 30 10 DKEE C=CCCCCCCCC[C@H](NN)c1ccsc1Cl 2142442282 UNXLIQQUPDJWKD-AWEZNQCLSA-N 300.899 5.213 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1c(Cl)cccc1Cl)NCCC 2158321750 WVVGXXZVWFVVIU-CXAGYDPISA-N 314.300 5.506 30 10 DKEE CCCCCCCCCCC(=O)c1csc(C(F)F)c1 2164503466 UYSSXSYWELBAGU-UHFFFAOYSA-N 302.430 6.399 30 10 DKEE CCCCCCCc1nc2c(Cl)c(C)c(Cl)cn2c1N 2202915792 MPSPQQUAJOVQRK-UHFFFAOYSA-N 314.260 5.045 30 10 DKEE CCCCCCCCC(=O)c1c(OC)ccc(Cl)c1F 2207345119 ZKEQMLBRILWQFI-UHFFFAOYSA-N 300.801 5.421 30 10 DKEE C=CCCCCCCCCC[C@](C)(O)CSC(C)(C)C 2207437065 OWQLMNNJQWWRKQ-SFHVURJKSA-N 300.552 5.966 30 10 DKEE C=CCCC[C@H](NCC)c1sc(C)c(Br)c1C 2213728243 JMLYUYFKCGWBGY-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCCCCC[C@H](N)c1sc(C)c(C)c1Br 2215907016 FHZJBHABVFTWIE-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE C=CCCCCCCCNCCc1ccc(Br)cc1 2227270883 ISKZFBLRMPWMAA-UHFFFAOYSA-N 324.306 5.108 30 10 DKEE C=CCCCCCCCCC(=O)c1cccc(Br)n1 2228981073 JSYNXPDGSVVSHC-UHFFFAOYSA-N 324.262 5.334 30 10 DKEE CCCCCCC[C@H](N)c1cc(CC)c(Br)s1 2247999827 HQXISFBOTHAYGO-LBPRGKRZSA-N 318.324 5.433 30 10 DKEE SCCCCCCCSc1ccc(Cl)c(Cl)c1 2252647743 RVVVKUFGGWITFP-UHFFFAOYSA-N 309.327 5.966 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281535408 CJRPHIFKTQOFHQ-OAHLLOKOSA-N 316.272 5.399 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1C(C)=O 2287076714 SVRBQZPXJDCPLJ-UHFFFAOYSA-N 310.890 6.161 30 10 DKEE CCCCCCCCCNc1c(C)nsc1Br 2307206028 HCLLQXSSKXYMFJ-UHFFFAOYSA-N 319.312 5.377 30 10 DKEE CCCN[C@H](C#CC1CCC1)c1cc(Cl)c(Cl)cc1C 2362593278 FDLGIWWCYBMGDI-QGZVFWFLSA-N 310.268 5.146 30 10 DKEE CCCCCCCN(C)c1cc(Cl)c(C(=O)O)c(Cl)c1 2366373142 QAICTXWFJZOGTK-UHFFFAOYSA-N 318.244 5.098 30 10 DKEE Cc1ccc(Cl)c(Oc2ccc(C#N)c(C(F)(F)F)c2)c1 36669655 KRNVGVDDQVVUPX-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCCCCCCCOc1c(Cl)cc(Cl)cc1C(=O)O 59300143 DTRJHFPGUCZHLV-UHFFFAOYSA-N 319.228 5.431 30 10 DKEE CC1(C)CCC(C#N)(Cc2cc(F)ccc2Br)CC1 87940190 QVAZWYXWYRFERL-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE SCCCCCCCCCn1ccnc1-c1ccccc1 97799964 XQSYSHMKMBIZGX-UHFFFAOYSA-N 302.487 5.211 30 10 DKEE N#Cc1ccc(Cl)cc1Sc1cccc(Br)c1 110354523 XCJNGLZVNHQVTP-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCC[C@H](O)Cc1cccc(C(F)(F)F)c1 116722598 FLZMZSSBXWYIKX-INIZCTEOSA-N 302.380 5.359 30 10 DKEE CCCCCCCCC[C@@H](NN)c1ccc(F)cc1Cl 126097005 CUZJVRLXKVBMJD-MRXNPFEDSA-N 300.849 5.124 30 10 DKEE CCCCCCCC[C@H](N)c1cscc1Br 132280348 FHMXFKHGJUXHOJ-ZDUSSCGKSA-N 304.297 5.261 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1snnc1CC 135568494 AJOCSBLNYJEXFH-MRXNPFEDSA-N 312.523 5.445 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(Cl)sc1Cl 232938065 QXUVZSQSLZSEDX-GFCCVEGCSA-N 323.333 5.700 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1ccc(Cl)cc1Cl 233164339 ZACZPWQTOXQYEV-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE CCCCCCCCNc1ccc(-c2nc3ccccc3o2)cc1 257629205 FCMPSUHESSRBCO-UHFFFAOYSA-N 322.452 6.267 30 10 DKEE Cc1cccc(Nc2cc(Br)cc(C#N)c2)c1Cl 306054771 UYQGUBKSMUBPMU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCSC[C@H](NCCC)c1cc(Cl)cc(Cl)c1F 708637270 QBNJRLKSKOLXBK-ZDUSSCGKSA-N 322.276 5.092 30 10 DKEE C=CC[C@@H](C)OC[C@@H](NCCC)c1cc(Cl)ccc1Cl 1913342191 WCIMMIPUVVVWKG-MLGOLLRUSA-N 316.272 5.015 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Cl)ccc1Cl 1919575541 FODBBSZHQJXRKO-MRXNPFEDSA-N 303.273 5.952 30 10 DKEE C=CCCCCC[C@@H](N)c1c(Cl)cccc1Br 1948982955 FVLSWBKQDMXUEG-CYBMUJFWSA-N 316.670 5.239 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)C1(C)CCCCC1 1975571455 RTJGSGVDXRGPMR-HNAYVOBHSA-N 322.493 5.275 30 10 DKEE C=CCCCCCC[C@@]1(O)CCCC[C@@H]1OCc1ccccc1 1995168621 GMYOKZHKALAKFM-LEWJYISDSA-N 316.485 5.404 30 10 DKEE CCc1cc(Br)c(C(=O)C2=CCCCCC2)s1 2000210736 DCDXXNKGKNHJHH-UHFFFAOYSA-N 313.260 5.146 30 10 DKEE C=CCCCC[C@@H](N)c1cc(Cl)c(C)cc1Br 2009482932 WHRIJMKIXOCMSN-CQSZACIVSA-N 316.670 5.157 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Cl)sc1Cl 2059113574 AWWRAIBIBRNBDS-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE CC(C)CC[C@@H](C)[C@H](C#N)c1ccc(F)cc1Br 2065479403 IBWNATJRPPCVHT-RISCZKNCSA-N 312.226 5.268 30 10 DKEE C=C(Cl)C[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2083555555 QQIXRADGUUGRSX-AWEZNQCLSA-N 306.664 5.047 30 10 DKEE Cc1ccc(C(=O)C2=CC[C@@H](C(C)C)CC2)c(Br)c1 2125204257 QTMGYDKMUKUXTH-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(Cl)c(Cl)s1 2142448824 SNLHYRBCJRPRFR-ZDUSSCGKSA-N 321.313 6.395 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H](O)c1ccc(Cl)s1 2148601529 OPGJQRUZNYSMOW-BBRMVZONSA-N 317.926 5.164 30 10 DKEE CC1(C)CCC[C@](C#N)([C@](C)(O)c2ccc(Cl)s2)CC1 2157114722 XQCILZGUZGUZOP-CVEARBPZSA-N 311.878 5.109 30 10 DKEE C=CCC[C@H](C)[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2158316992 VVUCRNJEKHYNPT-SJCJKPOMSA-N 306.858 5.704 30 10 DKEE CCS[C@H]1CC[C@H](N(C)CCCCCCCCCS)C1 2171100283 TVAZUFMYUPPQIT-IRXDYDNUSA-N 317.608 5.253 30 10 DKEE CCCCC#CC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 2203788302 XCHIZZUDGZHJTH-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1 2207428930 DFXVRIWOTNOFRI-QGZVFWFLSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCCOC[C@H](NCc1ccccc1)C1CC1 2211145875 MTKCOEUSYSDBHQ-NRFANRHFSA-N 315.501 5.098 30 10 DKEE C=CCCCCCC[C@H](N)c1scc(Br)c1C 2213771180 OXIYKNCGDVZAOY-ZDUSSCGKSA-N 316.308 5.345 30 10 DKEE C=CCCCCCCC[C@@H](N)c1scc(Cl)c1Cl 2220082894 FLJBDTTYXMHTFZ-GFCCVEGCSA-N 306.302 5.971 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1scnc1Cl 2227274237 JTTKRYOOYFYZCV-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1ccccc1Br 2227290018 YEIPSXFLXOXDAN-INIZCTEOSA-N 324.306 5.236 30 10 DKEE O=C(CC#CC1CCCCC1)Cc1cc(Cl)ccc1Cl 2234053045 FSFXZKAJZFTPBI-UHFFFAOYSA-N 309.236 5.079 30 10 DKEE CCCCCCCC(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235757703 TYTDGBRJOWXSQD-ZDUSSCGKSA-N 312.240 5.530 30 10 DKEE C=C(C)CCCC[C@H](O)c1sc(Br)c(C)c1C 2250152489 KWQBQQDWJQFSMM-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967816 UEGHEKZHVJVYJV-RHSMWYFYSA-N 322.290 5.189 30 10 DKEE C=CCCCCCCCSCc1cc(C(=O)O)sc1C 2287074668 IIUYIUQNZHEMFK-UHFFFAOYSA-N 312.500 5.515 30 10 DKEE CN(CCCCCCCS)C[C@@]1(C)CCCCC1(F)F 2294769337 YZBQPRRRMYPENS-OAHLLOKOSA-N 307.494 5.014 30 10 DKEE C=CC[C@@H](C)Sc1cc(Cl)sc1CNC1CCC1 2313690082 UUBLNHHNJOTRSF-SNVBAGLBSA-N 301.908 5.100 30 10 DKEE C=CCC(C)(C)[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2344359209 XQLDJWYAHVLJLY-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2349888832 QGPHQUFGMPHYFY-HNNXBMFYSA-N 304.236 5.530 30 10 DKEE CCN[C@H](C#Cc1cccs1)c1cc(Cl)c(Cl)cc1C 2363545115 AZVSADMIHDXING-MRXNPFEDSA-N 324.276 5.066 30 10 DKEE CCCN[C@@H](C#CC(C)(C)C)c1ccc(Cl)c(Cl)c1C 2364413689 BKPGHECHSHKDRS-HNNXBMFYSA-N 312.284 5.392 30 10 DKEE O=C(/C=C\c1ccccc1)/C=C\c1ccc(-c2ccccc2)s1 34688879 RBQUVPCPWWHCTJ-OSZYEJKESA-N 316.425 5.711 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154785 ZIOPNUPGIAUIAI-JKIFEVAISA-N 321.917 6.177 30 10 DKEE C=CCn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21 40210538 GZJVWGVRSHJVLK-UHFFFAOYSA-N 324.427 5.480 30 10 DKEE N#Cc1c(/N=C/c2ccc(Cl)cc2Cl)sc2c1CCC2 58979902 ODQWRLPXCCZMCJ-UFWORHAWSA-N 321.232 5.166 30 10 DKEE CCCCCCCOc1c(Cl)cc(Cl)cc1CNCC 59300125 VUFCUVVEDLDDIA-UHFFFAOYSA-N 318.288 5.452 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc(C(C)C)cc2)c1 83193419 NIAFYCONWOPQQF-MDWZMJQESA-N 308.421 5.495 30 10 DKEE Cc1ccc(/C=C/C(=O)c2ccc(OCC(C)C)c(C)c2C)cc1 83193557 VTCAJRQXBWFGPD-ZRDIBKRKSA-N 322.448 5.543 30 10 DKEE CCOc1cc(C)c(C(=O)/C=C/c2c[nH]c3ccccc23)cc1C 83193701 NFJBIYULTWQTQB-MDZDMXLPSA-N 319.404 5.080 30 10 DKEE SCC1(CN2CCCCc3ccccc32)CCCCCC1 94577954 SATWZNFFXKKDPG-UHFFFAOYSA-N 303.515 5.100 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc2cccc(Br)c2o1 97419648 YNVJLAVLDREETG-CQSZACIVSA-N 322.246 5.202 30 10 DKEE CCCCCCCCNC(=O)/C=C/c1ccc(C(C)C)cc1 108676934 AQYVKBYZOWKVRG-NTCAYCPXSA-N 301.474 5.300 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccccc1-c1cccs1 109885916 KRZHRWYMVNVNAZ-MRXNPFEDSA-N 301.499 6.576 30 10 DKEE CCCCCCCCCNc1cc(Br)ccc1F 110163836 YRFHTMDQZIJCBG-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE CCCCCCCC[C@@H](CO)c1ccc(Br)cc1 118656137 XQRCPLRBGYFOOA-HNNXBMFYSA-N 313.279 5.276 30 10 DKEE CCSc1cccc(N[C@@H](c2cccs2)C(C)C)c1C#N 136641385 JBUHMFFSZSAUOM-QGZVFWFLSA-N 316.495 5.541 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccc(SC)cc1 157927675 ZLJGBBSOPLDRIQ-IBGZPJMESA-N 307.547 6.200 30 10 DKEE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C#N)cc1Cl 220352325 GSHCPCFIPMJHOQ-QBIMZIAESA-N 305.849 5.189 30 10 DKEE C=CCC[C@@H](C)Nc1c(Cl)cc(Cl)c2c1N=S=N2 228823322 LTVCRCGLALMKCO-SSDOTTSWSA-N 302.230 5.486 30 10 DKEE CC[C@@H]1CCC[C@](C=O)([C@H](C)c2ccc(Br)cc2)C1 317350577 SXLFDRGWLJMYIV-CPUCHLNUSA-N 323.274 5.338 30 10 DKEE CCCCCCCC[C@@H](CCOCc1ccccc1)NCCC 395616226 JFNGONKOZOJANU-NRFANRHFSA-N 319.533 5.712 30 10 DKEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 710812657 IMSNOFQQRDMHDU-SFHVURJKSA-N 320.408 5.040 30 10 DKEE CCCCCCCCC[C@@H](N)CCCOCc1ccccc1 719131270 XXXBMNPNAWEGNS-HXUWFJFHSA-N 305.506 5.451 30 10 DKEE CSc1ccc(SC(F)(F)F)c2cc(CC#N)sc12 725318789 ZORSTQXWZULZTB-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CC[C@H](C)c1ccc(N=Cc2ccc(N3CCCCC3)cc2)cc1 1084476601 IHHPWMDLVSTVJW-SFHVURJKSA-N 320.480 5.941 30 10 DKEE CCN(CC)c1ccc(C#Cc2ccc(Cl)c(Cl)c2)cc1 1614826497 WTUBGUBHLTZUED-UHFFFAOYSA-N 318.247 5.239 30 10 DKEE CC[C@@H](C)c1ccccc1Nc1ncc2c(c1C#N)CCCC2 1859847096 LYPJHORWPFROMH-CQSZACIVSA-N 305.425 5.089 30 10 DKEE C=CCCCCCC[C@H](NCCC)[C@@H](C)OCc1ccccc1 1995175297 DHBXNNNHNYUKJU-CTNGQTDRSA-N 317.517 5.487 30 10 DKEE C=CCCCCCCOc1cccc(Br)c1F 2026021277 HGGGITTXUJHFBT-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cccc(Br)c1 2053381971 GRFSGUBLQZRAJP-MRXNPFEDSA-N 306.247 5.102 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1ccc(C)c(C)c1 2070130421 GQPLIWVJUMBJOZ-JOCHJYFZSA-N 320.480 5.528 30 10 DKEE CCCCCCCCC[C@@H](N)c1sc(Cl)nc1Cl 2075815997 ZWNCMQZIBQORJN-SNVBAGLBSA-N 309.306 5.590 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(Br)c(F)c1 2085918232 XXTLOJIFGVXDKQ-OAHLLOKOSA-N 315.226 5.148 30 10 DKEE C=CCCCCC[C@](N)(CC)c1ccc(Cl)c(Cl)c1 2098391557 VLQOLZJDUOXZKV-MRXNPFEDSA-N 300.273 5.694 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cccc(Br)c1C 2102112012 PUGYSUYLXIOXCW-SUMWQHHRSA-N 324.306 5.401 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccc(C)c(Br)c1C 2107977686 PJIOUHSFHFHCSJ-CXAGYDPISA-N 324.306 5.319 30 10 DKEE N#Cc1cc(F)c(Oc2cccc(Cl)c2Cl)cc1Cl 2120889230 ZTIFDOYOISDHSJ-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE C#CC(C)(C)C[C@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2167605543 ACYKUVIVXOVYBD-AWEZNQCLSA-N 303.858 5.118 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cc(C(F)(F)F)cs2)CC1 2181663484 SDJQGWSARVPCHR-SNVBAGLBSA-N 302.361 5.332 30 10 DKEE CC#CCCCC[C@H](NCCC)c1c(Cl)cncc1Cl 2196172793 WPIWJRMVKLLUPZ-HNNXBMFYSA-N 313.272 5.013 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1F 2206890119 FBSAOIKDBXTBIN-INIZCTEOSA-N 319.247 5.867 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1 2207430780 YECJJKMMTCJALT-QGZVFWFLSA-N 314.300 6.300 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](NCC)c1ccsc1Cl 2207451895 DJRKYIMJQRLQNO-HUUCEWRRSA-N 317.926 5.164 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CC[C@H]2CCCC[C@@H]2C1 2212372398 MIDMLQORWDCBOM-YPAWHYETSA-N 311.513 5.671 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 2217612288 CFJULOORMHBQSB-MRVPVSSYSA-N 303.616 5.576 30 10 DKEE CCCC(CS)(CCC)COc1cc(C)cc(Cl)c1 2231284956 OEPMDHOATKSXAL-UHFFFAOYSA-N 300.895 5.544 30 10 DKEE CC[C@H]1CCC[C@H](Nc2c(Br)cccc2C#N)CC1 2269699375 HMZRKLBNRGMKMD-JSGCOSHPSA-N 321.262 5.092 30 10 DKEE O=C(C=Cc1cccc(Cl)c1)c1cc(Cl)ccc1Cl 2294300071 PDPJVDLQBSWWCP-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(Br)c(C)c1 2344355345 GFEIUICJAQVARP-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2362225896 SMWFOHOULJTKAQ-GXSJLCMTSA-N 315.200 5.058 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccc(Cl)c(C)c1Cl 2365687618 ZPRBDFSXGDBIMW-CYBMUJFWSA-N 316.316 6.853 30 10 DKEE Cc1ccc(N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 59147761 SCDKXITUXNGSOI-CJLVFECKSA-N 315.420 5.209 30 10 DKEE CCCCCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 62167824 VMURZXPQVWAYND-LFIBNONCSA-N 322.448 5.850 30 10 DKEE Cc1ccc(Nc2c(C#N)cnc3ccc(Cl)cc23)cc1C 64438668 OCEXICSGUGPPGH-UHFFFAOYSA-N 307.784 5.120 30 10 DKEE CCCCCCCN1CC[C@](CCC)(c2cccc(OC)c2)C1 95883035 IBDXYXBQJWQQFY-NRFANRHFSA-N 317.517 5.409 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Br)cs1 112459686 IMEMHMXUQFAUFI-LBPRGKRZSA-N 304.297 5.132 30 10 DKEE CCCCCCC[C@@H](Cc1cc(F)ccc1Cl)NCCC 126598118 GJPRLXVUQZUYJP-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE CCCCCCC[C@@H](C)NCc1sccc1Br 147980710 QNISOLPLCBYGBS-GFCCVEGCSA-N 318.324 5.349 30 10 DKEE N#CC1(Cc2ccc(F)cc2Br)CCCCCCC1 158882383 GDXTUHMMPAAHDP-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc2ccccc2s1 229275076 GEVKQHDYYRQDMS-QGZVFWFLSA-N 304.499 6.466 30 10 DKEE CCCCCCCCC[C@@H](N)C(C(F)(F)F)C(F)(F)F 232919143 VQPVZJGJTAHFLD-SNVBAGLBSA-N 307.322 5.195 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Sc1cc(Cl)cc(Cl)c1 306097355 NFNQGCUMEUCWPM-YGRLFVJLSA-N 300.254 5.558 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 306553361 BFAGPDSYSXGBQW-YADHBBJMSA-N 318.464 5.161 30 10 DKEE C[C@@H]1CCC[C@](C#N)([C@H](C)c2ccc(Br)cc2)C1 310805225 ZJIKWJRJMSQMGS-IOASZLSFSA-N 306.247 5.273 30 10 DKEE CCCC(CS)(CCC)CSc1cccc([N+](=O)[O-])c1 313564670 ITRROUWWGMBKSY-UHFFFAOYSA-N 313.488 5.203 30 10 DKEE O=C(C=C1CCCCC1)c1cccc(Cl)c1C(F)(F)F 379199885 YFFKWXQLGZNREN-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccccc1NC 1865984866 LSOWRCJJOMQESS-UHFFFAOYSA-N 304.478 5.588 30 10 DKEE CCCCCCCCN(C)Cc1cnc(Cl)cc1Cl 1887056992 JGEXFHYINPSCET-UHFFFAOYSA-N 303.277 5.181 30 10 DKEE CCCCCCCCOC[C@H](NCc1ccccc1)C(C)C 1915155845 UHPFDUUHQKRMBY-FQEVSTJZSA-N 305.506 5.178 30 10 DKEE Cc1ccccc1C=NN(Cc1ccccc1)Cc1ccccc1 1923384564 BJRXYIYBXUGGEB-UHFFFAOYSA-N 314.432 5.031 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Br)co1 2003091136 XTOHVVYTBPGXNL-ZDUSSCGKSA-N 302.256 5.053 30 10 DKEE CCCCCC#CC[C@@H](O)c1ccccc1OCc1ccccc1 2024345962 AGLAMJRXTPPEAW-OAQYLSRUSA-N 322.448 5.273 30 10 DKEE C=CCCCCCC[C@](C)(O)c1ccc(Br)s1 2026015752 WIKJIBWPAXNCRU-AWEZNQCLSA-N 317.292 5.245 30 10 DKEE O=C1C(=Cc2ccc(F)cc2)CCCC1=Cc1ccc(F)cc1 2053466511 STPNBQOTKFPYEG-UHFFFAOYSA-N 310.343 5.185 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2059115439 RSLKOGDVWJAMDA-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE CCc1c(C(F)F)cc(OC(F)(F)F)cc1C(F)(F)F 2060359356 HNJOAIBKZILPJY-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(Br)c(C)c1 2072004288 QFIQXOMZAUPINR-INIZCTEOSA-N 312.295 5.292 30 10 DKEE C=CCCCCC[C@@H](O)c1c(F)cc(C)cc1Br 2075722553 XCQQXFLYQJXMFP-CQSZACIVSA-N 315.226 5.067 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cccc(Br)c2C)C1 2087419677 UHJHAQFQFZVPGC-WMLDXEAASA-N 320.274 5.410 30 10 DKEE CCCCCCCCC[C@H](NN)c1snc(Cl)c1Cl 2110892065 WKAXDQBVDQYLHF-JTQLQIEISA-N 324.321 5.095 30 10 DKEE CC1CCC(C#N)(Cc2csc(-c3ccsc3)n2)CC1 2144696027 ZRIVHTKRZPVRRF-UHFFFAOYSA-N 302.468 5.134 30 10 DKEE C#CCCCCC[C@@H](NC)c1cc(-c2cccs2)cs1 2164064095 CJVKPKSYBMDTJG-OAHLLOKOSA-N 303.496 5.321 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265945152 NAFFMFKTUOGNFT-KRWDZBQOSA-N 324.306 5.579 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1cc(Cl)c(Cl)s1 2276903945 BYNIWKPQPPNZKK-LBPRGKRZSA-N 322.301 5.208 30 10 DKEE CCCCCCCCC[C@@H](N)c1cnc(C(C)(F)F)s1 2289257899 NVENHNSWBPUCTJ-GFCCVEGCSA-N 304.450 5.395 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1cc(Cl)cc(Cl)c1 2289855434 SCQLDCLTDAFECK-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE CCCCCCC[C@@](C)(N)c1nc(C(F)(F)F)c(C)s1 2295475235 SQGWFQOZOPPZBV-CYBMUJFWSA-N 308.413 5.005 30 10 DKEE CC1CCC(CSc2ccc(C#N)cc2Br)CC1 2313832611 QRLGFYGFBOLEMK-UHFFFAOYSA-N 324.287 5.239 30 10 DKEE C=C1CCC(C[C@@H](N)c2c(Cl)cc(F)cc2Cl)CC1 2340796102 PPKJJTYYZWWCFK-CQSZACIVSA-N 302.220 5.269 30 10 DKEE CCCc1c(C#N)oc2c(C(C)(C)C)cc(Br)cc12 2341024943 LZBQWHPDLQSBCN-UHFFFAOYSA-N 320.230 5.317 30 10 DKEE C=CCC(CC=C)Sc1cccc(Cl)c1C[C@H](N)CC 2360208741 SPYFNKDORTZHHW-CYBMUJFWSA-N 309.906 5.233 30 10 DKEE COc1c(Cl)cc(CC(=O)C2=CCCCCC2)cc1Cl 2365744120 JQDJTOPFHPWGGT-UHFFFAOYSA-N 313.224 5.004 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2365802752 GTCVSNBRVNTLEO-CYBMUJFWSA-N 315.910 5.587 30 10 DKEE C=C(C)CC[C@@H](OCCCN)c1ccc(Cl)c(Cl)c1C 2365979169 YJOQJGRWSCCGCE-OAHLLOKOSA-N 316.272 5.065 30 10 DKEE CCCCCCCCSCCCc1ccc2c(c1)OCO2 1696153 RFKJMGSRJBKVGS-UHFFFAOYSA-N 308.487 5.442 30 10 DKEE N#CC[C@@H](Sc1cccc(Br)c1)c1ccccc1 55307784 JXRLFBRICFQCNQ-OAHLLOKOSA-N 318.239 5.196 30 10 DKEE CCCCCCCCO[C@H](C)C(=O)c1ccc(Cl)s1 59526216 FXJFDXNUWUJYHM-GFCCVEGCSA-N 302.867 5.350 30 10 DKEE Cc1cc(OC(C)C)cc(C)c1C(=O)/C=C/c1ccc(F)cc1 83193630 SFFXPIMNJTYESO-JXMROGBWSA-N 312.384 5.126 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)c(Cl)c2)CCCc2ccccc21 87930088 RLWQKYGIPOYWFR-GOSISDBHSA-N 316.231 5.334 30 10 DKEE C=C[C@@](CCCCCCCC)(OCC)n1nnc2ccccc21 102997012 QNBCAOBHWCWZNG-IBGZPJMESA-N 315.461 5.057 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Cl)cc1C(F)(F)F 109754194 LHUJLQHXHRPOOX-GFCCVEGCSA-N 321.814 6.520 30 10 DKEE CCCCCCCCOC(=O)c1cc(N)c(Cl)c(Cl)c1 109894386 OYWMUJVXTBZHMY-UHFFFAOYSA-N 318.244 5.093 30 10 DKEE C#CC[C@@H](CC)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 129741610 JMGWTTNHZVSWSN-VHSXEESVSA-N 304.648 5.099 30 10 DKEE Cc1ccsc1[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N 158330969 GSHQGTSQPPXISK-SNVBAGLBSA-N 310.344 5.120 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1csc(Cl)c1 378991847 KFJDODCILNXMHC-INIZCTEOSA-N 316.938 6.746 30 10 DKEE C=CCC(C)(C)CN[C@H]1CCOc2c(Cl)cc(Cl)cc21 383366884 HDUUZQIYUZEPDN-AWEZNQCLSA-N 314.256 5.009 30 10 DKEE C=CCCCCCCN[C@@H](C)c1cc(Cl)sc1Cl 385128547 UHWOUZDFZJOYAX-NSHDSACASA-N 306.302 5.842 30 10 DKEE N#Cc1cc(-c2c(Cl)ccc(Cl)c2Cl)cnc1Cl 514260878 RUSRKEPHAGJHAF-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE Cc1c(Cl)cc(N[C@H](CC#N)c2ccccc2)cc1Cl 690312962 VYHSQSJDENXFKD-MRXNPFEDSA-N 305.208 5.369 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@](C)(C#N)CC(C)C 698419321 MNBGMBFSDLIVGJ-IBGZPJMESA-N 316.445 5.065 30 10 DKEE CCC[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468661 KDOCCOOLNQYZPG-DOTOQJQBSA-N 316.445 5.065 30 10 DKEE C=CCCCOC[C@@H](NCCC)c1cc(Cl)ccc1Cl 709537568 IHHMZDPISSVDON-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 715723625 SUNVUVIYIVEYRW-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE Clc1ccc(/C(=N/OCc2ccccc2Cl)C2CC2)cc1 821230012 VIDZYKDHKPMANF-LVZFUZTISA-N 320.219 5.324 30 10 DKEE Fc1ccc(-c2c(F)c(F)c(F)c(F)c2F)c(C(F)F)c1 1848358895 KGQUNJMVPUPZCM-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CCCCC1CCC(C(=O)ON=C2CCCCCCC2)CC1 1860820786 MSUNYLCYJAAHOE-UHFFFAOYSA-N 307.478 5.627 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2c(C)cc(C)cc2C)c1 1874599924 KVIFSLHXQSYFJY-MDZDMXLPSA-N 320.432 5.463 30 10 DKEE CC[C@@](C)(C#N)[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921058619 CAGMWTOAEZHXSS-HOTGVXAUSA-N 305.830 5.042 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](C)c1ccc(C(C)C)cc1 2070162053 VITGZXAOOKUQMZ-QGZVFWFLSA-N 314.432 5.264 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(Br)c(C)c1 2072004289 QFIQXOMZAUPINR-MRXNPFEDSA-N 312.295 5.292 30 10 DKEE C=C1CCC(CN[C@H](C)c2ccc(C)c(Br)c2)CC1 2105802726 WAXKIRLLGTWTQY-CQSZACIVSA-N 322.290 5.155 30 10 DKEE C=CCCCCCC[C@H](NC)c1c(Cl)cncc1Cl 2141904374 AUTYMFYSKPSMST-AWEZNQCLSA-N 301.261 5.176 30 10 DKEE C[C@H]1CCC[C@](C#N)(Cc2csc(-c3cccs3)n2)C1 2144696000 ZIVGUZXEPCFTPQ-BLLLJJGKSA-N 302.468 5.134 30 10 DKEE CCC[C@]1(C)CSC(=Nc2ccccc2SC(C)C)N1 2158459412 YGTJUCMKHGFPOT-MRXNPFEDSA-N 308.516 5.070 30 10 DKEE C=CCCCCCC(=O)c1ccc(SC(F)(F)F)cc1 2163973028 UWOILQVBHGDHRU-UHFFFAOYSA-N 302.361 5.618 30 10 DKEE CCCCCCCCCC[C@@H](N)c1sc(OC)nc1Cl 2164044108 YTYYGDRAFVMZOT-GFCCVEGCSA-N 318.914 5.336 30 10 DKEE C=CC[C@H](C)[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164169186 SHVPIRBUCMUJGJ-SJCJKPOMSA-N 305.874 5.541 30 10 DKEE C#CC[C@H](NCCC)c1ccc(-c2ccc(Cl)cc2)s1 2164220748 LEZPZIDVEYTTOC-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1nc(Cl)cs1 2196951921 SRQDBRZVQFWKFS-CQSZACIVSA-N 316.942 6.107 30 10 DKEE CCCCCCCC[C@@H](NN)c1ccc(C)c(F)c1Cl 2201790395 NPWUOUYKQKKUGW-CQSZACIVSA-N 300.849 5.043 30 10 DKEE CCc1ccsc1C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203956594 LEBXXTLNIIKALX-ZDUSSCGKSA-N 324.232 5.107 30 10 DKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)C1=CCCCC1 2211845231 JVTZCYQSGOSFSA-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1cc(Cl)sc1C 2235522125 QNLZBMVYUBNEJH-INIZCTEOSA-N 313.938 6.277 30 10 DKEE CCCCCCCCC[C@](C)(C#N)N(CC)C(=O)OC(C)(C)C 2246061775 RVIXSUOBPJZWKQ-LJQANCHMSA-N 324.509 5.666 30 10 DKEE CC(C)c1cc(Br)cc([C@@H](O)CC#CC(C)(C)C)c1 2265984590 UNBMMJMOKRWLRZ-INIZCTEOSA-N 323.274 5.046 30 10 DKEE C=CCCCCCCCC(=O)c1csc(Cl)c1OC 2268960786 LUXHOTWVGJZKPV-UHFFFAOYSA-N 300.851 5.510 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(O)c(Cl)c1 2278793771 OUMBUVIUVMDGOE-AWEZNQCLSA-N 304.261 5.449 30 10 DKEE CCc1ccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 2294300374 UQYOXDJGQWAELB-UHFFFAOYSA-N 312.412 5.812 30 10 DKEE N#CC1(CSCc2ccccc2Br)CCCCC1 2318741862 PWJUIQZDRJCRGW-UHFFFAOYSA-N 324.287 5.156 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(Cl)c(Cl)cc1Cl 2321180235 QCUQSWMRMHTQFO-AWEZNQCLSA-N 305.632 5.822 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCC)c1ccc(Cl)cc1Cl 2335103191 IICKYYJEWZSPIR-ABAIWWIYSA-N 318.313 5.342 30 10 DKEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353055648 YYQOPFMLGBGRSK-AAEUAGOBSA-N 300.273 5.697 30 10 DKEE CCCCCCC[C@@H](C)NCc1cc(Cl)c(O)c(Cl)c1 2365588713 NCJVMCSRXVVKRD-GFCCVEGCSA-N 318.288 5.538 30 10 DKEE C=C(C)CC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366813258 LYBIMSUDVYYEFS-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE C[C@H]1C[C@@](C#N)(CCCCC(F)(F)C(F)(F)F)CCS1 2368164333 HTKWBUXCCWZPHG-WDEREUQCSA-N 315.351 5.170 30 10 DKEE Cc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1Cl 37333837 XJZMEGORMOZQQE-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE Cc1cc(C(=O)/C=C/c2cn(C)c3ccccc23)c(C)cc1Cl 83194329 WKJRFJHNSHCXJK-CMDGGOBGSA-N 323.823 5.345 30 10 DKEE CC(C)N(CCCCCCCCCS)Cc1cccs1 97799390 RXNLNJNHYBWQBS-UHFFFAOYSA-N 313.576 5.619 30 10 DKEE CCCCCCC#C[C@@H](CCCCCCC)N1CCOCC1 102994058 GUMLVLSIDLOWGJ-HXUWFJFHSA-N 307.522 5.022 30 10 DKEE CCCCCCCCCCCCC(=O)c1ccc(Cl)cn1 129580310 AJGWAQJUOXPCCK-UHFFFAOYSA-N 309.881 6.229 30 10 DKEE CCCCCCCCn1ccc2c(Br)cccc21 130342908 FWRPGGJMYKEQLX-UHFFFAOYSA-N 308.263 5.764 30 10 DKEE CCc1ccccc1C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 161931698 NDQATJPCARLRSZ-ZDUSSCGKSA-N 318.203 5.046 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)c(Cl)c2)C1 227713553 OZFZBSLMUOTWJS-ZETOZRRWSA-N 314.281 5.804 30 10 DKEE CCCCCCC[C@@H](Cc1nc(C(C)(C)C)cs1)NCC 228754860 HSUWYRMVTHIHPU-HNNXBMFYSA-N 310.551 5.322 30 10 DKEE SCC1(CSc2cc(Cl)cc(Cl)c2)CCCC1 302663717 JTGQZMVTQMMEOY-UHFFFAOYSA-N 307.311 5.576 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 313517151 LFURDSDCGCZTEG-JTQLQIEISA-N 312.240 5.242 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1ccc(Cl)cc1Cl 387547665 RMVITTDURZZYKY-MRXNPFEDSA-N 316.272 5.015 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cc2cscc2s1 693957921 JGLUYKCTRZFZGM-GFCCVEGCSA-N 304.827 5.293 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cc(Cl)sc1Cl 703956036 XSCBOPWEXKRJGX-SNVBAGLBSA-N 306.302 5.698 30 10 DKEE Fc1ccc(C(F)(F)F)c2c(SC(F)(F)F)csc12 725304633 BWFPOUGSOVFZBP-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE FC(F)(F)c1ccccc1C#Cc1ccc(Cl)cc1Cl 1614755450 LWIPMIUYMROZKD-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCCCCC(=O)N1CCOc2ccccc21 1866332027 DDQTWFABPOAMBR-UHFFFAOYSA-N 317.473 5.333 30 10 DKEE CCOc1ccc(Cl)cc1/C=C/C(=O)c1ccc(C)cc1C 1874579148 ZFGOGHVJOXYSNT-RMKNXTFCSA-N 314.812 5.252 30 10 DKEE CCCCCCCCN(Cc1ccccc1)CC1CCOCC1 1990763071 QLMBFHWWCVGDOI-UHFFFAOYSA-N 317.517 5.276 30 10 DKEE CCOc1ccccc1C=CC(=O)c1oc2ccc(F)cc2c1C 2053528048 NZXAXURQYMZRJZ-UHFFFAOYSA-N 324.351 5.175 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2090617624 UZANXWIXRIERHW-GFCCVEGCSA-N 312.162 5.152 30 10 DKEE CC(C)(C)CNCCC#Cc1cc(Cl)c(Cl)cc1Cl 2136593328 PKDYFKCBXRXTRM-UHFFFAOYSA-N 318.675 5.024 30 10 DKEE Cc1cc(CNc2cc(Cl)c(C)c(Cl)c2)ccc1C#N 2153525494 SLQTZIVYVFZDOE-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2158320226 JVYFKAYZFOGJMA-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE C=CCCCCOc1c(Cl)cc(Cl)cc1CNCCC 2179678233 HJEWAYHUKSBYRG-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE CCCCCCCCCCCC[C@H]1CCSCC[C@@H]1O 2181693735 IFCNHSHLEMJQMM-ROUUACIJSA-N 300.552 5.802 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(C)cc1CN[C@@H](C)CC 2217116239 GQGOXYBLUZMABS-IBGZPJMESA-N 322.496 5.076 30 10 DKEE C=CCCCCOc1cc(Br)ccc1C(F)(F)F 2218649972 PJSADQFEPTZGMZ-UHFFFAOYSA-N 323.152 5.203 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Br)ccc1C 2227292295 YVBQKCHNSSWQDJ-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc(F)cc(Cl)c1 2237813171 UGACUFSFTHUBHT-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE C=C(C)CCCC[C@@H](O)c1sc(Br)c(C)c1C 2250152486 KWQBQQDWJQFSMM-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE C=C(C(=O)c1cc(Br)cc(C(C)C)c1)C(C)(C)C 2254767515 CAYUYSVKRVFACO-UHFFFAOYSA-N 309.247 5.358 30 10 DKEE CCCCC#CC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2286475478 CGFULRCVXNWYQP-KRWDZBQOSA-N 312.284 5.536 30 10 DKEE Cc1cc(NCc2ccc(C#N)c(C)c2)c(Cl)cc1Cl 2294764667 XGMZAWMTCJHOIO-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CCCCCCCCC[C@H](C)NCC1(P(C)(C)=O)CC1 2295677614 UMVVOEYUHQAWIA-INIZCTEOSA-N 301.455 5.261 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(Br)s1 2304060274 VZLWHENGMBYXJY-KGLIPLIRSA-N 316.308 5.154 30 10 DKEE C=C1C[C@H]1[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2319251915 IRJQGYRKFRYPRF-YGRLFVJLSA-N 304.648 5.264 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCC)c1cc(Cl)ccc1Cl 2335098173 HGCFPOAALKTCDB-ABAIWWIYSA-N 318.313 5.342 30 10 DKEE N#C[C@@]1(Cc2cc(F)c(Cl)cc2Cl)CCC(F)(F)C1 2349795468 AKUWCZZBXXJQIQ-GFCCVEGCSA-N 308.130 5.004 30 10 DKEE C=CC[C@@](C)(CC)C(=O)CCCc1cc(Cl)cc(Cl)c1 2370512090 YLEPHOHEDHWNNB-QGZVFWFLSA-N 313.268 5.878 30 10 DKEE CCCCCCCCC(=O)NC(c1ccccc1)c1ccccc1 3184331 FDMHKGDTFALVHX-UHFFFAOYSA-N 323.480 5.643 30 10 DKEE Fc1ccc(N/N=C(\c2ccccc2)c2ccc(Cl)cc2)cc1 4587080 XHJKSBOBIGXXNN-FCDQGJHFSA-N 324.786 5.344 30 10 DKEE O=C(/C=C\c1ccc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 33406208 HCVKOZUQCMRSOT-LUAWRHEFSA-N 310.299 5.121 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2cc(Cl)c(C)cc2C)c1 83194209 QKPVYIWEXAFFAO-CMDGGOBGSA-N 314.812 5.252 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OCC1(CS)CCCC1 94584410 HSWIJMSJQPFRHH-UHFFFAOYSA-N 312.906 5.641 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3/N=C\c1ccc(F)cc1 102402146 QDHHTYQSCWZWEO-JJUBJSHISA-N 306.384 5.112 30 10 DKEE Cc1cc(C#N)ccc1Oc1ccc(Br)cc1Cl 104170048 YAUURUPSTMOLSH-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCCCOc1cc(CC)sc1C(=O)O 112318614 WIVGAADZFYHDAK-UHFFFAOYSA-N 312.475 5.528 30 10 DKEE CCCCCCCCCCCC[S@](=O)c1ccc(F)cc1 113941486 QJEBCCQWOQGKJW-OAQYLSRUSA-N 312.494 5.854 30 10 DKEE CCCCCCCCOc1cc(Br)ccc1F 139774318 GQIRGPMMFWJGJR-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(F)cc(Cl)c1 161250833 PBGVTMUMAKZCFH-KRWDZBQOSA-N 300.845 6.043 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1SCCS[C@H]1CC 162345869 FHDXAZWSEQWREM-ULQDDVLXSA-N 317.608 5.472 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)c(OCC)cc1Cl 164182543 CWQIAOGBTWOCPU-UHFFFAOYSA-N 317.256 5.935 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1 216576383 QIIIXVKYJXFDFG-CWQOZTLDSA-N 307.547 6.043 30 10 DKEE C[C@H](/N=C(/O)C[C@H]1CCCCN=C1O)c1cccc2ccccc12 328801039 YZDFMOOCJBSZJJ-GOEBONIOSA-N 324.424 5.004 30 10 DKEE CC[C@@](C#N)(C1CCCC1)N(C(=O)OC(C)(C)C)C1CCCC1 698875198 RCDKVOLPOHDZJV-LJQANCHMSA-N 320.477 5.029 30 10 DKEE Cc1nccc(CC#N)c1-c1cc(Cl)c(Cl)cc1Cl 1848359978 HJJITKPRNIBMOR-UHFFFAOYSA-N 311.599 5.083 30 10 DKEE N#CCCCSc1nc(-c2ccc3ccccc3c2)cs1 1860800246 QUKXVUPTJKZISV-UHFFFAOYSA-N 310.447 5.359 30 10 DKEE CCCCCCCCCCNC(=O)c1sc(C)nc1CCC 1874095274 BGDYATGCPXUXJH-UHFFFAOYSA-N 324.534 5.275 30 10 DKEE N#Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1Cl 1893164870 AWZRFGCWISGNHP-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE SCC1(COCc2cc(Cl)cc(Cl)c2)CCCCC1 1893176774 YMQOZHMQQLYBGV-UHFFFAOYSA-N 319.297 5.390 30 10 DKEE CC[C@@](C#N)(Cc1sc(Cl)cc1Br)C(C)C 1903673908 RXDITFCMVMFDGG-LBPRGKRZSA-N 320.683 5.282 30 10 DKEE C[C@@](O)(CC#CC1CCCCC1)c1ccc(Cl)cc1Cl 1919617960 JDESMYXQULTZMB-QGZVFWFLSA-N 311.252 5.175 30 10 DKEE C#CCCCCCC(=O)c1cscc1OCc1ccccc1 1934835669 HNHRULRPJLXFDH-UHFFFAOYSA-N 312.434 5.094 30 10 DKEE C#CC[C@@H](C)C[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2196859989 XCENTEIXLLWRSG-DOMZBBRYSA-N 303.858 5.118 30 10 DKEE C=CCCCCCCNc1ccc(SC(F)(F)F)cc1 2206886780 UXIFBNAZDBIOBL-UHFFFAOYSA-N 303.393 5.847 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](N)c1ccc(Cl)c(Cl)c1 2207448247 ILQGEUVIGAPEGC-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C=CCCCOCc1c(Br)sc2ccccc12 2213056983 XRTLSWOIOPGOQJ-UHFFFAOYSA-N 311.244 5.147 30 10 DKEE CCCCCCC[C@@H](O)c1sc(C)c(C)c1Br 2215892957 FNJYNBDQENMVOS-GFCCVEGCSA-N 319.308 5.521 30 10 DKEE Fc1cc(Cl)c(NCCCC(F)(F)C(F)(F)F)cc1F 2240408484 LKOMOLGMVMEODA-UHFFFAOYSA-N 323.639 5.008 30 10 DKEE C=C(C(=O)c1c(C)cccc1NC(=O)OC(C)(C)C)C(C)(C)C 2243557166 BONMLWGIXWRUIA-UHFFFAOYSA-N 317.429 5.127 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(Br)ccc1Cl 2250182326 YMSXCCILIVIDPD-CQSZACIVSA-N 317.654 5.272 30 10 DKEE N#CC1(c2ccc(Br)c(F)c2)CCCCCCC1 2263177422 JYGGXAXEXDMRDK-UHFFFAOYSA-N 310.210 5.094 30 10 DKEE C=CC1(CNCc2cc(Br)cc(C(C)C)c2)CCC1 2265956723 NHSMQFJCILUBIA-UHFFFAOYSA-N 322.290 5.018 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2270973857 PMNWYBXAXKVIGW-MEDUHNTESA-N 300.273 5.555 30 10 DKEE C=CCCCCC[C@H](OCCN)c1cc(Cl)c(Cl)s1 2276220971 GAQWFAUPXHXEOS-LBPRGKRZSA-N 322.301 5.208 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2289705496 PTYJLBZKTBYEDR-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE N#Cc1sccc1CSc1nc(-c2ccccc2)cs1 2294736219 NVQLHGAGRILWRB-UHFFFAOYSA-N 314.460 5.036 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(C(F)(F)F)s1 2295258381 JFEMXYZRDBETPN-GFCCVEGCSA-N 305.409 5.554 30 10 DKEE CC(C)COc1ccc(C=C2Sc3ccccc3C2=O)cc1 2297453735 UBLWXKBLDSACDY-UHFFFAOYSA-N 310.418 5.051 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1ccc(Br)c(Cl)c1 2304036202 SNXHKHZDLSDDLD-KGLIPLIRSA-N 316.670 5.095 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSCc1ccc(Cl)cc1 2327295013 PEMMCCKQUVARNK-HNNXBMFYSA-N 302.936 5.555 30 10 DKEE N#Cc1ccc(OCC2CCCCCCC2)cc1Br 2342890276 ASRODMKUOQNKEB-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE Cc1c(C[C@@]2(C#N)CCCCC2(C)C)ccc(Cl)c1Cl 2364002567 TTXVDZYJZNDDOD-QGZVFWFLSA-N 310.268 5.955 30 10 DKEE CCCCCCCC[C@H](O)Cc1cc(F)c(Cl)cc1Cl 2377418611 XKOBPVGLIBRILW-ZDUSSCGKSA-N 321.263 5.787 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@@H]21 20753033 WLVSSHGKUXNWSB-OHNRDTAOSA-N 309.434 5.139 30 10 DKEE CCCC1CCC(Nc2ccc(C#N)cc2Br)CC1 37893455 JRNLTJHIPPGVJP-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CCc1cc(C(C)(C)CC)cc(C=O)c1OCCCCCC 66117872 VTDDMUQAPVQORG-UHFFFAOYSA-N 316.485 5.874 30 10 DKEE CCCCCCCNc1cc(Br)ccc1Cl 109314487 DSFAHSCZXFCPFF-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE CCCCCCCCCCCCn1cc(Br)cn1 109779542 YYPBRYIFBQUFEV-UHFFFAOYSA-N 315.299 5.567 30 10 DKEE C[C@H](CC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C(C)(C)C 111650483 NHKRKVNEVIMUJC-ZWNOBZJWSA-N 312.240 5.242 30 10 DKEE CCCCCCCCC[C@H](NC)c1c(Cl)cnn1C(C)C 126934449 DOEBYXHQTQINMC-INIZCTEOSA-N 313.917 5.519 30 10 DKEE N#C[C@H](Sc1ccc(Br)cc1)C1CCCCCC1 167874463 PHTUTYJYQQJGAE-HNNXBMFYSA-N 324.287 5.404 30 10 DKEE CCCCCCCCCC[N+](CC)(CC)Cc1ccccc1 200841244 QRAKVSSGLYNKRK-UHFFFAOYSA-N 304.542 6.184 30 10 DKEE CCCCCCCCCCNc1nc(C(F)(F)F)ns1 228781841 SNKTXHYZBRGOFR-UHFFFAOYSA-N 309.401 5.110 30 10 DKEE N#Cc1ccc(Sc2ccc(Cl)cc2)cc1Br 230278251 UFHJKFCSQIVJIP-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(F)c(Cl)c1 232025612 ZUZQGNSQSHRJQV-LLVKDONJSA-N 306.252 6.293 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cccc(Br)c1 233124787 NZNGHXCDFMPTEM-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)C2CC2)C1 384352594 CJRXGERYZGRVBI-QKNQBKEWSA-N 324.512 5.396 30 10 DKEE CCCCCCC[C@H](Cc1ccsc1Br)NC 388986187 VCGRJWJYCKDTJQ-CYBMUJFWSA-N 318.324 5.002 30 10 DKEE CC/C(=N\OCc1cccc2ccccc12)c1ccc(Cl)cc1 821219409 LYJOAJPUZMRRHD-LSDHQDQOSA-N 323.823 5.824 30 10 DKEE Cc1cccc(C[C@]2(C#N)CCCC23CCC3)c1Br 1921636925 RODXPRKBTFFWQO-KRWDZBQOSA-N 318.258 5.164 30 10 DKEE Cc1ccsc1C=NN(Cc1ccccc1)Cc1ccccc1 1923392415 AYXNDOJFRSXPMA-UHFFFAOYSA-N 320.461 5.093 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)CC1CCC1 1932000720 TWLUCGWMSYKQLO-UHFFFAOYSA-N 305.531 5.025 30 10 DKEE C=CCCCCC[C@H](NC)c1sc(C)cc1Br 2000338865 PZANLRHVOYBHME-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2ccc(C)cc2Br)CC1 2061193674 AQVAYBIGNOHNFK-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE C=C1CC(C[C@H](NCCC)c2ccc(C)c(Br)c2)C1 2125729147 PAMUZULNTFORNY-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CCCCCCCCCCCC[C@]1(O)CCS[C@@H](C)C1 2151689840 AYVJAPISZNCYET-ROUUACIJSA-N 300.552 5.944 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(C(F)(F)F)ns1 2155011157 QIKBWOSHSFBZGF-NSHDSACASA-N 309.397 5.336 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1c(Cl)cccc1C(F)(F)F 2158326916 GIDJHXZFXPPWJX-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C=C(C(=O)c1ccc(OC(F)(F)F)c(Cl)c1)C(C)(C)C 2163372081 UJOQDFULCCVVKX-UHFFFAOYSA-N 306.711 5.024 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Cl)ccc1OC(F)F 2164039888 UCYFOSJMDWAADZ-CYBMUJFWSA-N 303.780 5.078 30 10 DKEE CCCCCCCN(C)[C@@H](c1ccc(Cl)s1)[C@H](N)CC 2196730463 WSBUGVRVUIRACL-CZUORRHYSA-N 316.942 5.082 30 10 DKEE CCCCCCCC[C@@H](C)NCc1ccc(Br)o1 2223856780 HSVRMBFGRYGNDK-CYBMUJFWSA-N 316.283 5.271 30 10 DKEE C=CCCCCCCCNc1cc(C)c(Br)cc1C 2227277232 XGYWSZJIQCXJKX-UHFFFAOYSA-N 324.306 6.004 30 10 DKEE CCCCCCCCCOC(=O)c1nc(Cl)sc1Cl 2231060262 RIDLAEPKKBTGIV-UHFFFAOYSA-N 324.273 5.357 30 10 DKEE Cc1csc(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)c1C 2234256070 NVPXZWDSGBSXBF-LBPRGKRZSA-N 324.232 5.162 30 10 DKEE C#C[C@H](CC(C)C)N[C@@H](c1cccs1)c1ccc(Cl)s1 2234702984 OGEGJHKFUDTSMW-WBMJQRKESA-N 323.914 5.190 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(Cl)cc1Br 2244969434 SCDXEFAIDJILDC-SNVBAGLBSA-N 322.699 5.300 30 10 DKEE CCCCCCCCCOc1cc(Br)cnc1C 2254052367 QWWBEUJMMBCODV-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE C=C(C)CCCCC[C@@H](NCC)c1cccc(Br)c1 2271796310 DTXLTGOPEXWZKH-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE C=C(C)CCCCOc1ccc2ccc(Br)cc2c1 2271833512 QRUUFMZEMPIFEJ-UHFFFAOYSA-N 319.242 5.728 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc(Cl)c(Cl)s1 2276753457 NVQWQHFGNJKRMN-GFCCVEGCSA-N 324.317 5.432 30 10 DKEE Cc1ccccc1N[C@H](C#N)c1ccc(Cl)c(Cl)c1C 2366020490 TXVUGUJHYOQYQV-OAHLLOKOSA-N 305.208 5.287 30 10 DKEE C=CC1(C[C@H](NCC)c2c(Cl)cc(F)cc2Cl)CCC1 2366399141 IBGNNNGEHBKUGH-AWEZNQCLSA-N 316.247 5.530 30 10 DKEE CCCCCCCCOc1ccc(-c2ccc(CC)cc2)cc1 2022959 DKVUDDRHOVVLPL-UHFFFAOYSA-N 310.481 6.655 30 10 DKEE Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1 8372034 WWVQNCBTVXLNIA-PXLXIMEGSA-N 301.389 5.325 30 10 DKEE CCCC1(CCC)CC(C#N)(Sc2cccc(Cl)c2)C1 90238281 PLCSNGOSKNCGFF-UHFFFAOYSA-N 307.890 6.075 30 10 DKEE CCCCCCCOc1ccccc1CN[C@@H]1CCC[C@H](C)C1 100131636 WTEXRDQIGGXJPL-AZUAARDMSA-N 317.517 5.704 30 10 DKEE CCCCCCCCCn1cc(CNCC)c2ccccc21 107027976 HFWOKARHLMIJLI-UHFFFAOYSA-N 300.490 5.501 30 10 DKEE CCCCCCCCCCCC[C@@H](N)[C@@H]1CSCCS1 122623728 REAMCERWFYDBIL-SJORKVTESA-N 317.608 5.473 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1ccncc1Cl 139499777 KFAKQCGXEQGFMH-SFHVURJKSA-N 310.913 5.916 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)c1cnns1 143495932 TYUKZFHKHIALPN-INIZCTEOSA-N 311.539 5.500 30 10 DKEE CC(C)CC(C#N)(CC(C)C)Nc1cccc(Br)c1 165899605 OBBFNDLSARHQIA-UHFFFAOYSA-N 323.278 5.216 30 10 DKEE CCCCCC(C)(C)CNc1cccc(Br)c1C#N 168573439 QGLMYIKCDFNWES-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE Cc1ccc(Cl)c(Oc2ccc(Br)cc2C#N)c1 229180162 VGKZJGWIUZQJNJ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C/O)C[C@H]12 254387438 QDATXTHLLOKPTJ-PICISYRHSA-N 302.458 5.040 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@H](O)c2sccc2Cl)CC1 394054942 AOEQNBFZPAUUCS-OFWKBQFLSA-N 311.878 5.181 30 10 DKEE C[C@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1)C(C)(C)C 698442091 DCBIDMNCKJKVEE-GDBMZVCRSA-N 316.445 5.002 30 10 DKEE CCCCCCCCC[C@@]1(N)CCN(Cc2ccccc2)[C@H]1C 705155582 OUHWJDQFJCDZKA-PZJWPPBQSA-N 316.533 5.119 30 10 DKEE CC[C@H]1CCCCC[C@]1(C#N)Nc1ccc(Br)cc1 709171513 CYALYZCXFWTYFA-XJKSGUPXSA-N 321.262 5.114 30 10 DKEE C=C1CCC(CN[C@H](C)c2ccc(C(F)(F)F)s2)CC1 724446630 JEQFRCSAEITAKN-LLVKDONJSA-N 303.393 5.164 30 10 DKEE CCCCCCCCCCN=c1[nH]c2cc(C(C)C)ccc2o1 1859792323 DGGNNEMHQXTBEB-UHFFFAOYSA-N 316.489 5.926 30 10 DKEE CCCCC[C@H](CC)N(C)c1ccc(C#N)cc1Br 1879294197 FYUAVMDYZDGWJG-AWEZNQCLSA-N 323.278 5.116 30 10 DKEE CC(C)CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1900581279 UQXRTNKZIKTERX-IBGZPJMESA-N 322.493 5.275 30 10 DKEE C=CCCCCCC[C@@]1(N)CCCC[C@H]1OCc1ccccc1 1995174282 YCBKHJDSGXYMBE-NHCUHLMSSA-N 315.501 5.370 30 10 DKEE C=CCCCCCCCCCO[C@@H](C)CNCc1ccccc1 1995329021 XHRAMDZSXCSAGC-FQEVSTJZSA-N 317.517 5.488 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1csc(Br)c1 1996468906 FSHAUJVAYRUCQF-RISCZKNCSA-N 316.308 5.154 30 10 DKEE CCc1ccc(C(F)F)c(C(F)(F)F)c1OC(F)(F)F 2060352035 ZTFJQRPVDQDZOX-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2096622195 TVCAEKVASWZTRK-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE CCCCCC1CC(C#N)(Nc2cccc(Br)c2)C1 2123514405 MHFBHWMPOYJLQQ-UHFFFAOYSA-N 321.262 5.114 30 10 DKEE CCCC(CS)(CCC)CSCCOCCC1CC1 2127933629 LBNLBRDDLIXFEF-UHFFFAOYSA-N 304.565 5.053 30 10 DKEE CC1(C)CCC[C@]1(C#N)Cc1csc(-c2ccsc2)n1 2149430448 KWZQMEDJNPSUOX-MRXNPFEDSA-N 302.468 5.134 30 10 DKEE CCCCCCCCCCC[C@H](N)c1cc(Cl)sc1C 2154494777 SWRQBCSFERZSOR-INIZCTEOSA-N 315.954 6.631 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cscc2C(F)(F)F)C1 2157159033 CNWQSWCZPOIIRY-FZMZJTMJSA-N 301.377 5.420 30 10 DKEE CCC1CCC(C#N)(Cc2ccsc2C(F)(F)F)CC1 2157654133 MDHISSYUBLCTLA-UHFFFAOYSA-N 301.377 5.420 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(C(F)(F)F)cc1Cl 2179676265 DVLBNDXZMODNMZ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CCN(Cc1ccccc1)c1cc(C)ccc1CN[C@@H](C)CC 2217116458 JWTPNPBXTARHTJ-IBGZPJMESA-N 322.496 5.076 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Cl)cc(Cl)c1Cl 2220110513 NUUAJUINLJASHW-UHFFFAOYSA-N 303.616 5.720 30 10 DKEE N#Cc1ccc(Br)cc1OCCCCCCC1CC1 2225784893 WPNGPZXDRRNRIL-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE CCCCCCCC[C@H](NN)c1cc(F)c(C)cc1Cl 2232440611 RQYZNFJRORITGO-INIZCTEOSA-N 300.849 5.043 30 10 DKEE CCCCCCCCCCCCCCOC(=O)[C@@H](C)S 2239492931 ODMDXJLXJGCANS-MRXNPFEDSA-N 302.524 5.549 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Br)c(C)s1 2244623106 ZKZVGVLIWROKDO-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)c1ccc(CCC)cc1 2248197065 AXVAADLDLOSWAZ-JOCHJYFZSA-N 323.480 5.063 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@H]1CCC=C1Br 2263710321 CHAOMQGANBNLHR-ZBFHGGJFSA-N 316.327 5.546 30 10 DKEE C=CCCCCC[C@@H](OCCCN)c1ccc(SC)s1 2294053748 NHWMKZKBCSAPRU-CQSZACIVSA-N 313.532 5.013 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1F)c1ccc(C)cc1 2330246269 DFHLVDOELBPTFX-UHFFFAOYSA-N 305.780 5.118 30 10 DKEE CC[C@H](C)[C@@H]1CSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340145687 JAMVEDZWKQAJIG-UFBFGSQYSA-N 317.285 5.040 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1c(Cl)cc(C)cc1Cl 2353056404 IKHIPZZNCCNXKR-LRDDRELGSA-N 300.273 5.555 30 10 DKEE C#CC[C@H](C)C[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414551 KCCLEBOQMZLLES-LRDDRELGSA-N 312.284 5.392 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cc(OC)c(Cl)s1 2365820902 GAFZBSYPNIVIRT-CYBMUJFWSA-N 316.894 5.750 30 10 DKEE CC1(C)OCC[C@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366901423 YXASAAPRHMGHKE-INIZCTEOSA-N 312.240 5.025 30 10 DKEE CCCCCCC[C@@](C)(N)Cc1cc(F)c(Cl)cc1Cl 2377403821 UGVFJSPAWGPVQN-MRXNPFEDSA-N 320.279 5.753 30 10 DKEE C[C@@H](Nc1cccc(C#N)c1)c1c(Cl)ccc(F)c1Cl 35790290 DYZKKOKSYWOCOS-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC1(C)[C@@H]2CC[C@]1(C)/C(=N/C(=O)c1cccc3ccccc13)C2 100845663 NJAUAVBOKXJGQK-QSVMDVOMSA-N 305.421 5.267 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(F)cc1Br 109766221 JBIAZULNFMGWCG-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccc(Cl)cc1F 112900701 CKXGTCDUAGNDGW-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(OC)cc1Cl 115856911 XBCMDEHVXGEVIY-GOSISDBHSA-N 311.897 5.750 30 10 DKEE CCCCCCCCCCC[C@H](CCCC(F)(F)F)NN 124433145 YWZHJJCCJUYWER-OAHLLOKOSA-N 310.448 5.472 30 10 DKEE CCCCCCCCC[C@H](NCC)c1c(Cl)cnn1CC 126405173 ZZFNNXLYXRQBCB-INIZCTEOSA-N 313.917 5.348 30 10 DKEE N#Cc1cc(N[C@H]2CCCc3sc(Cl)cc32)ccc1Cl 127665664 GWUKAXHVBXVYBU-ZDUSSCGKSA-N 323.248 5.416 30 10 DKEE Cc1ccc(C)c(Oc2cc(Br)cc(C#N)c2)c1C 227634863 WIFCXSHXXKKPEW-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CC[C@@H](Nc1ccc(Br)cc1C#N)C1CCCCC1 229171884 ZGNMLIZOUMDQGB-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE Cc1cc([C@H](CC#N)C2CC2)cc(C)c1OCc1ccccc1 260429988 GVSZJHRMQCPQKH-HXUWFJFHSA-N 305.421 5.290 30 10 DKEE CCCOc1ccc(N=Cc2ccc3ccccc3c2O)cc1 260881895 HPIIIPGPCTXKJU-UHFFFAOYSA-N 305.377 5.085 30 10 DKEE N#Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)c(F)c1 304728415 SGGUEBSLZYVXPA-UHFFFAOYSA-N 319.335 5.069 30 10 DKEE N#Cc1cc(CSc2ccc(Cl)cc2Cl)ccc1F 322825248 ZDIYNXGXPGGFNT-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CCCC[C@H](C)Nc1nccc2c(Br)cccc12 398058687 FINSIEMNYYKKCT-LBPRGKRZSA-N 319.246 5.154 30 10 DKEE CCCCCCCCCCCCC(=O)CNCc1ccccc1 692490823 HOKJCJVISRXLNK-UHFFFAOYSA-N 317.517 5.656 30 10 DKEE CC(C)c1cc(Br)ccc1O[C@H](C)CC(C)(C)C#N 695786743 KKILYJOJHZQVJR-GFCCVEGCSA-N 324.262 5.280 30 10 DKEE C(=NN(c1ccccc1)c1ccccc1)c1ccc2oncc2c1 814685717 NCWHJXMPQWURPQ-UHFFFAOYSA-N 313.360 5.000 30 10 DKEE CCCCCCCSc1nc(-c2ccc(N)cc2)cs1 1860821557 YIRCJPBUIXDPFK-UHFFFAOYSA-N 306.500 5.455 30 10 DKEE CCCCCCCCCCNC(=O)C1CCC(CCCC)CC1 1866011135 UMGWTDYWTZXKOI-UHFFFAOYSA-N 323.565 6.240 30 10 DKEE CCCCCCCCCO[C@@](C)(CC)CNCc1ccccc1 1915268232 KSHHXWFPPJCKFE-NRFANRHFSA-N 319.533 5.712 30 10 DKEE CC(C)C(C(C)C)[C@@H](C)Nc1cc(Br)ccc1C#N 2087327841 PYKKAIGUDMMDMP-GFCCVEGCSA-N 323.278 5.049 30 10 DKEE C=C([C@@H](NCCC)c1cc(C)cc(Br)c1)C(C)(C)C 2096630770 HQXKXGUIUCFZDZ-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE C=CCSc1ccccc1NCc1cc(Cl)sc1C 2098158050 DDNQJWKBAGNTHI-UHFFFAOYSA-N 309.887 5.600 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(C)cc(Br)c1 2102111681 OCZBBNRERPEOON-WMLDXEAASA-N 324.306 5.401 30 10 DKEE C#CCCCCCC[C@@H](NCC)c1cccc(Br)c1 2113412524 FNCMWIZGIKKCHK-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCCCCCCOc1nc(Cl)c([C@H](C)NCCC)s1 2155318653 CBHZWTCKXKBYBS-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE C=CCC[C@@H](C)[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2164002121 GPJPMBVOKFAXPF-PXAZEXFGSA-N 305.874 5.671 30 10 DKEE CCCC(CS)(CCC)CN(OC)C1CCCCCC1 2164748062 SKAUYZOXHGLNDW-UHFFFAOYSA-N 301.540 5.089 30 10 DKEE CC#CCCCCC(=O)c1ccc(SC(F)(F)F)cc1 2196209228 FCVMPUQVNZBODN-UHFFFAOYSA-N 300.345 5.065 30 10 DKEE C=CCCCCCCNc1ccc(Cl)c(C(F)(F)F)c1 2206900098 PWRZFXXWHGLBFQ-UHFFFAOYSA-N 305.771 5.907 30 10 DKEE C=CCCCCCCC[C@]1(C#N)CCCN1C(=O)OC(C)(C)C 2211143480 QLYCTPIHTQTXAX-LJQANCHMSA-N 320.477 5.196 30 10 DKEE CCCN[C@@H](C#CC(C)(C)C)c1cc(Cl)sc1Cl 2218436496 YTPGENRJTGPCQC-NSHDSACASA-N 304.286 5.145 30 10 DKEE C#CCCCCC[C@H](Cc1cc(Cl)ccc1Cl)NCC 2234039449 BHPYJCUYQKDAIZ-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(F)c(C)cc1Cl 2240617544 GQZVZZYUGIFVDM-KRWDZBQOSA-N 300.845 5.746 30 10 DKEE C=C(C)CCCCC[C@H](NC)c1cccc(Br)c1 2259206873 SHYFYULKPGLGJP-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=C(C)CCCC[C@@H](Cc1cccc(Cl)c1Cl)NCC 2287410785 LSKFWSLPFXCHEN-HNNXBMFYSA-N 314.300 5.651 30 10 DKEE C=C(C)CCCC[C@H](OCCCN)c1ccc(SC)s1 2292789752 AABIWZMIPHRMPF-AWEZNQCLSA-N 313.532 5.013 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1c(Cl)cccc1Br 2304123636 XEPGMWMBAHUWLG-KGLIPLIRSA-N 317.654 5.128 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](SCc2ccccc2Br)C1 2318748221 KUBRZLUZLITEPH-TYNCELHUSA-N 324.287 5.011 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1c(C)ccc(Br)c1F 2321176271 AVRFBOVMTKXNQR-OAHLLOKOSA-N 313.210 5.072 30 10 DKEE CCOc1ccc(Cl)cc1C=CC(=O)c1cccc(Cl)c1 2322527777 KQBODLBUYSMMIO-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=CCOc1cccc(C=CC(=O)c2ccc3ccccc3c2)c1 2323047514 JPIOUYUHAVXCDS-UHFFFAOYSA-N 314.384 5.301 30 10 DKEE CCCCCCC[C@H](N)Cc1ccc(Cl)c(Cl)c1C 2338889198 MMLWELYXVQTXLL-AWEZNQCLSA-N 302.289 5.532 30 10 DKEE Cc1c([C@@H](O)C2(C#N)CCC(C)CC2)ccc(Cl)c1Cl 2366011512 DACPLPITVUFSFA-KRSWERPXSA-N 312.240 5.055 30 10 DKEE C=C[C@@](C)(CNC1CCC1)Cc1cc(F)c(Cl)cc1Cl 2377366623 VCOONHWMRKFJCV-MRXNPFEDSA-N 316.247 5.009 30 10 DKEE C=C(C)COc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 13627409 KHASVLILGBILNC-UHFFFAOYSA-N 317.388 5.047 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc([N+](=O)[O-])c(F)cc1F 59460344 CPHHKAQEUOVEHU-LLVKDONJSA-N 300.349 5.034 30 10 DKEE C=CCCCC(=O)c1ccc(Br)cc1C(F)(F)F 71276200 USOQDGGZEZFCEV-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE Cc1cc(C(=O)/C=C/c2sccc2C)c(C)cc1OC(C)C 83193677 AENVOXXYGFDZTI-VOTSOKGWSA-N 314.450 5.357 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2cc(C)ccc2OCC)cc1 83205219 OXPGYXFQKKGQTB-FMIVXFBMSA-N 324.420 5.079 30 10 DKEE C[C@@H]1O[C@@H]1CCc1c(Cl)c(Cl)cc(Cl)c1Cl 107502823 QASFWKVMWKBXHD-SSDLBLMSSA-N 300.012 5.020 30 10 DKEE CCCCCCCCC[C@H](N)Cc1ccc(Cl)cc1Cl 109719196 RHLIOQZEXNIEQC-INIZCTEOSA-N 316.316 6.004 30 10 DKEE CCCCCCC[C@H](CN)N(C)[C@@H](C)c1cccc(Cl)c1 110026981 OJVKLAHEAXFDTH-MAUKXSAKSA-N 310.913 5.021 30 10 DKEE C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1Cl 113316669 WPAPAJIBEDXJRP-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(Br)cc1Cl 125641587 ZCDIPBDEIKPEDK-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C[C@H]1C[C@@H](Nc2cc(C#N)ccc2Cl)c2ccsc2S1 217001396 YEFHDIRXEMYPQI-TVQRCGJNSA-N 320.870 5.311 30 10 DKEE Cc1ccc(Cl)c(Nc2cc(Br)cc(C#N)c2)c1 232244978 MNENZPPZSZXCAI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(Cl)ccc1Br 233614526 FKJMRLLDRWHEME-CQSZACIVSA-N 316.670 5.109 30 10 DKEE N#CC[C@@H](c1ccc(OCc2ccccc2)c(Cl)c1)C1CC1 260499957 JDDDHUOKRCDMHX-QGZVFWFLSA-N 311.812 5.326 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CS[C@@H](C)[C@H](C)S1 300109143 PBHNWZLWVJPHQA-VGWMRTNUSA-N 304.565 5.114 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1CS[C@H](C)[C@@H](C)S1 300162273 GTZBYGKXPVLOPW-NCOADZHNSA-N 317.608 5.470 30 10 DKEE CCCCCCCc1nc2cc(Br)c(C)cc2[nH]1 308435771 NTOGZBGIZYSACG-UHFFFAOYSA-N 309.251 5.147 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1sccc1F 313030581 DXHYXYLTNFXDFW-MRXNPFEDSA-N 300.483 6.232 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(Br)cc3C)C[C@@H](C1)C2 697309883 RCMAJODEOBTPGL-MZBDJJRSSA-N 320.274 5.304 30 10 DKEE CC1(C)OB([C@@H]2C[C@@H]2c2cc(Cl)c(Cl)s2)OC1(C)C 1882184433 KOYGOBQQKUZNCO-JGVFFNPUSA-N 319.062 5.005 30 10 DKEE C=C([C@H](NCCC)c1cc(Br)cs1)C(C)(C)C 1947450822 IOMLMHHNESYWKY-ZDUSSCGKSA-N 316.308 5.154 30 10 DKEE C=CCCCCC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 1984517290 RVNPVNCQVAUXTP-UHFFFAOYSA-N 317.429 5.271 30 10 DKEE CCCC1(C[C@@]2(C#N)CCCCN2C(=O)OC(C)(C)C)CCC1 1988428473 UBHHLAHPRIHTSZ-LJQANCHMSA-N 320.477 5.030 30 10 DKEE C=CCCCCC(=O)c1ccc(Br)c(Cl)c1F 2009489675 MIHCCFXVOVWIQR-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE CCCCCC#CC[C@H](NC)c1scc(Cl)c1Cl 2083436756 LUFAIILEOWLPOA-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE Cc1c(Br)ccc(NCCCCC(C)(C)C#N)c1C 2098638294 QOUCAFMNBVKSPG-UHFFFAOYSA-N 323.278 5.198 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H](O)c1sccc1Cl 2148591160 WSHCZQJBFPFNTH-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCCCCC(=O)CC(C)(C)SC 2163977942 JQLYZQJZKSDIKY-UHFFFAOYSA-N 300.552 6.398 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(F)cc1C(F)(F)F 2164270865 QWBSBAIXVJSPQW-ZDUSSCGKSA-N 309.734 5.028 30 10 DKEE C=C[C@H](N[C@H](c1ccco1)c1ccc(Cl)s1)C1CCC1 2197829262 ISPKWYVOGKUBFF-BLLLJJGKSA-N 307.846 5.028 30 10 DKEE C=CCCCCCCCNCc1ccc(Br)s1 2214617909 LAMQWISSOIMETM-UHFFFAOYSA-N 316.308 5.127 30 10 DKEE CC(C)(C)C#C[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2233920838 KSYFONYXUANJIB-CQSZACIVSA-N 304.842 5.151 30 10 DKEE C[C@@H](NCCC#CC(C)(C)C)c1cc(Cl)cc(Cl)c1F 2238715249 IKYRMQFQNCQVKZ-LLVKDONJSA-N 316.247 5.223 30 10 DKEE C=CCCCCCCOc1cccc(Br)c1Cl 2248249077 QIZYTWVSSWYUDN-UHFFFAOYSA-N 317.654 5.618 30 10 DKEE C=CCCCCC[C@H](N)c1cc(Cl)c(OC)cc1Cl 2266785984 ALNUCJILQHAMFL-AWEZNQCLSA-N 302.245 5.138 30 10 DKEE CCCCCCCCC[C@H](C)NCc1nc(Cl)cs1 2278244066 BBSROEBKTQVRGR-ZDUSSCGKSA-N 302.915 5.415 30 10 DKEE C=C(Cl)COc1c(Cl)cc(CN[C@H](C)CC)cc1Cl 2278764555 NTOYAAOITAGRIG-SNVBAGLBSA-N 322.663 5.013 30 10 DKEE C=CCCCCCCC[C@@H](O)c1nc(C(C)(F)F)cs1 2296067049 JANCKCBHGJARTP-GFCCVEGCSA-N 303.418 5.205 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(Br)cc1CC 2319287583 YASAQBKFTBSCKV-MRXNPFEDSA-N 310.279 5.018 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1 2324434444 PJQYCTRIZUWAPQ-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccc(Cl)c(Cl)c1C 2339027066 YYTPQFVPNUGDSO-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE C=CCCCCCC[C@@H](N)c1c(Cl)cc(F)cc1Cl 2340802530 ZSNKKEDCIWVVHE-CQSZACIVSA-N 304.236 5.659 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1c(Cl)cccc1Cl)NC 2344348650 MPPRANMEHTWTFB-HOTGVXAUSA-N 300.273 5.116 30 10 DKEE C=CCN(Cc1cc(F)c(Cl)cc1Cl)C1CCCC1 2349798788 YLEKCJREBJKVLM-UHFFFAOYSA-N 302.220 5.063 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2352814142 CIEXTZVFZVTWGY-HNNXBMFYSA-N 300.273 5.555 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1C 2364451560 PRLFWRFCUGGICK-MRXNPFEDSA-N 315.284 6.252 30 10 DKEE C[C@@](C#N)(Cc1cc(F)c(Cl)cc1Cl)c1ccccc1 2377391580 FJSVLBIYNGATIQ-INIZCTEOSA-N 308.183 5.156 30 10 DKEE N#Cc1cccc(CSCc2ccc(Cl)c(Cl)c2)c1 58238679 IGJBNKHQUPEIBL-UHFFFAOYSA-N 308.233 5.298 30 10 DKEE CC(C)(CCC#N)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 93105605 MQJAVBSJPNMWBX-LJQANCHMSA-N 309.457 5.025 30 10 DKEE [N-]=[N+]=Nc1ccc(/C=C\C(=O)/C=C/c2ccc(N=[N+]=[N-])cc2)cc1 97406720 YQPDFPOALLAYGO-JTAXDKCCSA-N 316.324 5.866 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1OCCCCC 100048544 JAQQDZHOKPYJPK-IBGZPJMESA-N 319.533 6.267 30 10 DKEE CCCCCCCOCc1ccc(F)cc1Br 103971919 MLXYIRBWUULHNU-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE CCN(CC)c1ccc(/C=C2/CC[C@H](C3CCCC3)C2=O)cc1 104376934 MEWRVUFQFLRCIY-XLEPWJDSSA-N 311.469 5.086 30 10 DKEE CN(Cc1ccc(Cl)s1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 110264030 HVHNPVWPUAAHKH-KCQAQPDRSA-N 324.921 5.188 30 10 DKEE CCCCCCCCCCCCC(=O)[C@@H](N)c1cccs1 123500364 NKDIEASXMKIURM-GOSISDBHSA-N 309.519 5.628 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1nc(C)c(C)s1 133058712 JTSUMSLFFFRPEB-KRWDZBQOSA-N 311.535 5.584 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(C)ccc1Br 159157425 ARRRYNWMTZXLLT-MRXNPFEDSA-N 312.295 5.508 30 10 DKEE CCCCCCCC[C@H](N)Cc1ccc(Br)s1 160777785 FFEFVAXKDYLZBD-LBPRGKRZSA-N 318.324 5.131 30 10 DKEE N#Cc1cc(Nc2ccc(F)c(Cl)c2)ccc1C(F)(F)F 163916918 OXLZTABNYPBTES-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCCOCc1ccc(O)c2ncccc12 204932607 KMBXYOFCAYVVAH-UHFFFAOYSA-N 315.457 5.598 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2c(Cl)cccc2Cl)C1 218323340 SPEPAHAMMBPUDI-XFBWCDHKSA-N 312.240 5.137 30 10 DKEE CC(C)(C#N)CCCCNc1c(Cl)cc(F)cc1Cl 232514135 YQSNMFGZTRQIOF-UHFFFAOYSA-N 303.208 5.264 30 10 DKEE C=CCN(CC=C)C(=O)Nc1ccccc1Sc1ccccc1 242964883 HLAOODZUWAUZDC-UHFFFAOYSA-N 324.449 5.044 30 10 DKEE CCCCCCCCC[C@H](O)c1cscc1C(F)(F)F 312822563 LKBBDUMYECJRSM-AWEZNQCLSA-N 308.409 5.941 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@H](C)OCc1ccccc1 404348132 NKWBTTQFZVPFMN-AZUAARDMSA-N 305.506 5.450 30 10 DKEE CC[C@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698375738 JVWXZHPHCVUZAX-KXBFYZLASA-N 320.477 5.029 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)CC1CCCCC1 698911405 PFHNEWJMIKBQHP-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE Fc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1C(F)F 1848358851 HUVGCKWKGCXFNO-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CSc1cc(N(Cc2ccccc2)CC(C)(C)C)ccc1C#N 1905525371 FDVSPOSOQJEUMZ-UHFFFAOYSA-N 324.493 5.333 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](N)c1ccc(Cl)c(Cl)c1 1920353648 ZKGMOODBZNFQCY-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)c1ccc(C(C)C)cc1 1922066627 VJEIQBUXJOCSGY-QFIPXVFZSA-N 323.480 5.234 30 10 DKEE C=CCC[C@H](C)[C@@]1(N)CCC(C)(C)C[C@H]1OCc1ccccc1 1977508763 XTPVEGRFUJKDBY-DSKINZAPSA-N 315.501 5.082 30 10 DKEE C=CCN(Cc1ccccc1)Cc1c(C)cc(C(C)(C)C)cc1C 2019113857 JZWKXNPBMSNECP-UHFFFAOYSA-N 321.508 5.789 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1Cl 2136600926 SAMACADUZLGCSM-OAHLLOKOSA-N 323.691 6.431 30 10 DKEE CCCCCCC[C@H](C)NCc1cscc1C(F)(F)F 2151832217 YNLJSDALSSTPRT-LBPRGKRZSA-N 307.425 5.606 30 10 DKEE C=C1CCC(N[C@@H](c2cccs2)c2ccc(Cl)s2)CC1 2157442617 HDBDJDGMWPIXQN-INIZCTEOSA-N 323.914 5.641 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 2158329416 WNJMJHMBABAQJW-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C=CCCCCCCCCCN[C@H](C)c1ccc(Cl)s1 2207415818 URMSBDZZPRZKAI-OAHLLOKOSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H](O)c1ccsc1Cl 2207437303 NRDVDFDAWVOLSA-GJZGRUSLSA-N 315.910 5.069 30 10 DKEE C=C[C@H](CCCCC)OCc1ccc(F)c(Br)c1 2223290381 RAHNNCXQMTUCOU-CYBMUJFWSA-N 315.226 5.240 30 10 DKEE Cc1scc(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)c1C 2234056499 JHHNARVGPMGUNO-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE SCC1(CSCCCCCCCC2CC2)CCCCC1 2239540621 QGNGIFXJXGBERQ-UHFFFAOYSA-N 314.604 6.351 30 10 DKEE CC(C)(C)C(Nc1c(Br)cccc1C#N)C(C)(C)C 2269691019 JAZBDTIDWSVVBT-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE CCCCCCC[C@@](C)(OCCN)c1cc(Cl)sc1C 2293918072 GQJXMKRUWJSBTR-MRXNPFEDSA-N 317.926 5.261 30 10 DKEE Cc1cc(NC[C@@H](C#N)c2ccccc2)c(Cl)cc1Cl 2294710072 AKSHOFCMNHBJDZ-CYBMUJFWSA-N 305.208 5.021 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2335103053 GMYDWSHYFJAVQR-XHDPSFHLSA-N 318.313 5.342 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(Cl)c(F)c1F 2370488109 SYBIBDLAAXWTOE-CVEARBPZSA-N 301.808 5.261 30 10 DKEE SCC1(CSc2cccc(Br)c2)CCCC1 87097954 HWOLWGDCBKOVJV-UHFFFAOYSA-N 317.317 5.031 30 10 DKEE CC[C@@H](C)C[C@@](C)(O)C#Cc1ccc(Oc2ccccc2)cc1 95633811 PDOAYPHXJWQBQN-UTKZUKDTSA-N 308.421 5.018 30 10 DKEE CCCCCCCCCCCn1c(=O)sc2ccccc21 101081362 QAUBJZZOMFTKLB-UHFFFAOYSA-N 305.487 5.594 30 10 DKEE CCCCCCCC[C@@H](C)CCCCCCCCC(=O)OC 103685780 ATERKICZYCBQCQ-LJQANCHMSA-N 312.538 6.667 30 10 DKEE CCCCCCC[C@H](CN)N(C)[C@@H](C)c1ccccc1Cl 110026884 RGNVRUIEKJNYNG-JKSUJKDBSA-N 310.913 5.021 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccccc1Cl 112887002 MTNORFPPRPFXTB-IBGZPJMESA-N 310.909 6.684 30 10 DKEE CCCCCCCCC[C@@H](NC)c1csc2ccccc12 115856454 QTDIAVDDEIQFDD-GOSISDBHSA-N 303.515 6.303 30 10 DKEE CCCCCCCCCCCCNc1c(C)cccc1Cl 117058664 VYCIPTLLNXOHKN-UHFFFAOYSA-N 309.925 6.981 30 10 DKEE CCCCCCCC[C@@H](CSc1ccccc1F)NCC 117374221 OROYOBRNJNJBCK-INIZCTEOSA-N 311.510 5.647 30 10 DKEE CCCCCCCCCC[C@H](NN)c1c(F)cccc1Cl 122633117 JRJNIXPVXWSNSY-INIZCTEOSA-N 314.876 5.514 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cc(Cl)ccc1F 131179591 KCCDNAGWMYAWNP-QGZVFWFLSA-N 314.876 5.514 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H]1Cc2ccccc2S1 139532376 KZBGUKDHASMZLV-IEBWSBKVSA-N 305.531 5.432 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H]1CSc2ccccc21 139672788 KDOOEDKTAMEUNJ-QZTJIDSGSA-N 305.531 5.605 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(Br)s1 160805659 VHCPDGPGTAGTSN-GFCCVEGCSA-N 318.324 5.522 30 10 DKEE CCCCCCCCCCCCCC/C=C\S(=O)(=O)OC 198603648 YIEXJGCTMWXGCU-MSUUIHNZSA-N 318.523 5.568 30 10 DKEE C=CCC(C)(C)CN[C@@H](CC)c1ccc(Br)cc1 386844132 RXGSCEINXIQIAT-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE CCCCCCC[C@](C)(C(=O)O)N(Cc1ccccc1)C(C)C 685991049 LBCRXYNWVFUJJF-HXUWFJFHSA-N 319.489 5.101 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(C)cc3Br)C[C@@H](C1)C2 697304866 ROZGPAHARZMGGK-YIONKMFJSA-N 320.274 5.304 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccc2ccccc2c1 698398052 AJATYQUTGNRQTG-SFHVURJKSA-N 324.424 5.050 30 10 DKEE Cc1c(Cl)cccc1Oc1cccc(Br)c1C#N 702669221 GKFZMEVDAZVVFF-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CSc1cc(SC(F)(F)F)c2cc(CC#N)sc2c1 725318788 ZNXAISGRSBECAL-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C/C(=N\OC(c1ccccc1)c1ccccc1)c1ccccc1 1857936029 PKJJHHDECBLNMF-OQKWZONESA-N 301.389 5.217 30 10 DKEE CCCCc1ccc(C(=O)/C=C/c2ccc(OCC)cc2)cc1 1874606281 GLSCCSXHYFOAEK-LFIBNONCSA-N 308.421 5.324 30 10 DKEE CCCCCCCCCO[C@@H](CC)CNCc1ccccc1 1915425900 BFMSOYLSFUQOHL-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE C=CCCCCN[C@H]1CCC(C)(C)C[C@H]1OCc1ccccc1 1977491091 PYMRGRKVWVCLSJ-VQTJNVASSA-N 315.501 5.096 30 10 DKEE CC[C@@](C=O)(CN(Cc1ccccc1)[C@H](C)C(C)(C)C)C(C)C 1988766029 YPOYUFXXRXNZGX-NQIIRXRSSA-N 317.517 5.175 30 10 DKEE C=CCCCCCCCCNc1cnn(Cc2ccccc2)c1 1995326339 XDAMBCSGHCIBFY-UHFFFAOYSA-N 311.473 5.260 30 10 DKEE C=CCCCCC[C@H](O)c1sc(CC)cc1Br 2019778041 JKKIYCIXWHKVEO-ZDUSSCGKSA-N 317.292 5.243 30 10 DKEE C=CCCCCCCNc1cc(Cl)ccc1Br 2026014900 OEZAOXNHBGMPIH-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)s1 2038527298 GGJSONLRXFXYSG-GFCCVEGCSA-N 308.318 6.066 30 10 DKEE C=CCCCCCCC(=O)c1cccc(Br)c1F 2085849525 LQNYIMAVTCLKOI-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE C=CCCCC[C@@H](NC)c1cc2cccc(Br)c2o1 2123089017 OLCRRXOHMZKROV-CQSZACIVSA-N 322.246 5.202 30 10 DKEE CCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@H]1NCC 2172978911 JCVITHMACWKQIF-HLIPFELVSA-N 301.455 5.118 30 10 DKEE CN[C@@H](CC#C[Si](C)(C)C)c1cc(-c2cccs2)cs1 2187476648 ODGIYLLFHZVIKK-AWEZNQCLSA-N 319.571 5.008 30 10 DKEE CC1(CC(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)CCCC1 2203951314 YUFIKPVECQFNAT-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE C=CC1(Cn2c(S)nc3cc(C)c(Cl)cc32)CCCC1 2206590196 AONIKSHNCGQNNC-UHFFFAOYSA-N 306.862 5.033 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cccc(Br)c1C 2227284801 RVWMSDYELYBBCZ-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE C=CCCCCC(=O)c1cc(Br)c(F)cc1Cl 2249377120 BMJUFTRMWWFYPO-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE C=C(C)CCCC[C@H](O)c1c(F)cc(C)cc1Br 2259234039 WSCDJJYHHVLPOK-AWEZNQCLSA-N 315.226 5.067 30 10 DKEE CCC(CC)(CS)CSC[C@@H](OC)C1CCCCC1 2268699732 ZPIXIKNJXZFKGB-OAHLLOKOSA-N 304.565 5.051 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(Cl)c(OC)cc2Cl)CC1 2281566659 XTYDGTKQRBRAGI-SNVBAGLBSA-N 313.224 5.321 30 10 DKEE CC(=NOCc1ccc(Cl)cc1F)c1ccc(C)cc1C 2330459501 WWWXUHQBRTWBFK-UHFFFAOYSA-N 305.780 5.037 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(Cl)cc(F)c1Cl 2344337147 OLGCOXNECQUJLW-ZUZCIYMTSA-N 304.236 5.385 30 10 DKEE C=C(CC)C[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2353056531 JTGQKUXQJJQVCE-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE C=CCC(CC=C)Sc1sc(CNCC(C)C)cc1C 2360377280 VWOYTSYFAZZFGT-UHFFFAOYSA-N 309.544 5.415 30 10 DKEE Cc1c([C@H](O)[C@@]2(C#N)CCC[C@@H](C)C2)ccc(Cl)c1Cl 2366011680 FVPCXQWWUCDKTL-VFVAKGGASA-N 312.240 5.055 30 10 DKEE N#Cc1ccccc1N[C@H](c1ccco1)c1ccc(Cl)s1 37203058 QLMIIYJPFWWWGL-MRXNPFEDSA-N 314.797 5.068 30 10 DKEE C[C@@H](c1cccs1)N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 49726796 CSIALDHUBURWCQ-ZJIFWQFVSA-N 304.503 5.095 30 10 DKEE CSc1nc(-c2ccc(C)c(C)c2)cc(-c2ccco2)c1C#N 96887841 GNGPYPBGPSYJDI-UHFFFAOYSA-N 320.417 5.219 30 10 DKEE CCCCCCCOc1cccc(CNCc2ccccc2)c1 100045279 OZGMXHSVEMHZGT-UHFFFAOYSA-N 311.469 5.326 30 10 DKEE Cc1ccccc1CSc1ccc(C#N)c(C(F)(F)F)c1 110354456 IMMSEJKFDAIFRO-UHFFFAOYSA-N 307.340 5.178 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1ccc(C(F)(F)F)cc1Cl 111041386 ABVZWOFBNNABOK-MFKMUULPSA-N 316.754 5.243 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccc(Cl)cc1 112885036 DTSRNLLYEJHGGI-LJQANCHMSA-N 310.909 6.684 30 10 DKEE CCCCCCCCCCCC[C@@H](CSCC(C)C)NC 115645377 JVWSNUYWAFJJGB-IBGZPJMESA-N 315.611 6.275 30 10 DKEE Cc1cccc(Nc2cc(Cl)ccc2C#N)c1Br 131519421 JHLWONKWGXEWMH-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCSc1cccc(N(C)C2CCC(C)(C)CC2)c1C#N 136683461 WCCUOOZCLJUYKG-UHFFFAOYSA-N 302.487 5.075 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1 136837734 SNPFRIBADXUVCI-UHFFFAOYSA-N 301.352 5.395 30 10 DKEE C=C(CN[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 148007654 ANMCUUCGHZHWMJ-ZDUSSCGKSA-N 306.236 5.357 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(Cl)c(Br)c1 160939514 HJEWLNNZEBFNFA-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=CCCC[C@@H](NCC)c1cccc(Br)c1Cl 167726232 QVBOZHCIMWHSJP-CYBMUJFWSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCCCCNC(=O)c1ccc(N)cc1 197353598 IUGOCPCEOBUKMK-UHFFFAOYSA-N 318.505 5.310 30 10 DKEE CCC(=CC(=O)c1ccc(Br)c(Cl)c1F)CC 232878935 DHZVERUVKXBGTE-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE SCC1(CSc2nccc3ccccc23)CCCCC1 401527617 URSGCCUMHVSAPJ-UHFFFAOYSA-N 303.496 5.207 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1CCCc2sc(Cl)cc21 692237964 BERMLKWPTJNSSA-YUELXQCFSA-N 309.906 5.503 30 10 DKEE CC[C@H]1CCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698372025 ABPUQBMIBRMGHH-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccsc1Br 698588367 WWCMRXDZHHPATJ-CYBMUJFWSA-N 319.308 5.685 30 10 DKEE CCCCCCCC[C@H](Cc1scnc1Cl)NCCC 722013547 VOWNLUJVBALFFD-CQSZACIVSA-N 316.942 5.458 30 10 DKEE N#CCc1cc(C(F)(F)F)c(C(F)(F)F)c2sccc12 725324271 CIVDUBXETIHLCY-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE CCCCCCCCNC(=O)c1cccc(CSCC)c1 1872889734 CGDAYEAYNUINIS-UHFFFAOYSA-N 307.503 5.030 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1cccc(OCc2ccccc2)c1 1903142676 GGOBHYWQLOCVJE-FQEVSTJZSA-N 309.453 5.128 30 10 DKEE C=C([C@H](NC)c1cscc1OCc1ccccc1)C(C)(C)C 1934833322 SKWPDFNBIKAGIN-SFHVURJKSA-N 315.482 5.190 30 10 DKEE CCCCCCCN[C@@H]1CCCC[C@@H]1OCc1ccccc1 1959246711 AZGSIXCNXYOZNO-UXHICEINSA-N 303.490 5.074 30 10 DKEE C=CCCCC[C@]1(N)CCC(C)(C)C[C@H]1OCc1ccccc1 1984517224 BEONYDHBUMWNTC-CTNGQTDRSA-N 315.501 5.226 30 10 DKEE CCCCC[C@](C#N)(CC)Nc1ccccc1Br 2073340814 HWPJEJMTYPABDM-HNNXBMFYSA-N 309.251 5.114 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(F)cc(Br)c1 2085840607 ZXZIARJNLKZDAX-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ncc(SC)s1 2098408136 KAINDETUDOZMKE-CYBMUJFWSA-N 300.537 5.396 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2snc(Cl)c2Cl)CC1 2110928719 CZKXNQDEMIWOBN-CQSZACIVSA-N 317.285 5.493 30 10 DKEE C=CC1(C[C@@H](NCC)c2ccc(C)cc2Br)CCC1 2111717922 HEUPSIGKCQPHTQ-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1cccc(Cl)c1Cl 2141913074 DXPAVMYYSRJMPV-MRXNPFEDSA-N 300.273 5.694 30 10 DKEE BrC#CCCn1c(-c2ccccc2)cc2ccccc21 2170717978 TUMMQIGXINOWNB-UHFFFAOYSA-N 324.221 5.054 30 10 DKEE CCCN[C@@H](CCC#C[Si](C)(C)C)c1cccc(Cl)c1 2187476083 IAVLULUFRFSWTQ-KRWDZBQOSA-N 307.941 5.042 30 10 DKEE Cc1ccc(Nc2cc(Cl)c(F)c(Cl)c2F)c(C#N)c1 2200730798 VHIZAVLEQZJATC-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CCCCCCCCNc1ccc(OC)cc1Br 2221632167 NAGJLNUITPUHKC-UHFFFAOYSA-N 314.267 5.230 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Br)cc1C 2227290022 YEKUCGWGUZBYJT-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1scc(Cl)c1Cl 2271789746 FIXQGKLRQJVNBX-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C=CCCCCCCCSC[C@@H](NC)C(C)(C)C(F)F 2287198694 PXLSZXHHYBSCRY-CQSZACIVSA-N 307.494 5.126 30 10 DKEE N#Cc1cc(F)c(Cl)cc1SCC1(C(F)(F)F)CCC1 2290344280 RLFAWINZDRLSBY-UHFFFAOYSA-N 323.742 5.175 30 10 DKEE Cc1ccc(-c2ccc(C=CC(=O)c3ccc(Cl)cc3)o2)cc1 2293039008 SMALKNFXDRQARR-UHFFFAOYSA-N 322.791 5.805 30 10 DKEE Cc1cc(NC[C@H](C#N)C2CCCCC2)c(Cl)cc1Cl 2294711465 SXLWLIYRGRQLOW-ZDUSSCGKSA-N 311.256 5.434 30 10 DKEE C=C1CCC(C[C@H](O)c2sc(C(F)(F)F)cc2C)CC1 2295253955 IXYVVLDQYCAGRT-LBPRGKRZSA-N 304.377 5.245 30 10 DKEE CCCCCCCCC[C@H](C)NC1CCP(C)(=O)CC1 2295674713 URSILMOTSGAKCB-VXESANQCSA-N 301.455 5.261 30 10 DKEE CCCCCCCCC[C@@H](C)NCC(CC)(CC)SC 2295683939 GVASMTCZLOKOSZ-QGZVFWFLSA-N 301.584 6.027 30 10 DKEE CC(C)c1c(C#N)oc2c(C(C)(C)C)cc(Br)cc12 2341025067 NBCFCAYZDNARKM-UHFFFAOYSA-N 320.230 5.488 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2349842250 MYWVFTQEGNEIML-OAHLLOKOSA-N 304.236 5.530 30 10 DKEE C=CCC(CC=C)Sc1c([C@@H](C)NC)ccc(Cl)c1F 2360376832 UDTPXKMPDQHPCK-LLVKDONJSA-N 313.869 5.372 30 10 DKEE C=CCC(CC=C)Sc1ccc(C)c(Cl)c1C[C@@H](C)N 2360745089 ACKZZBBNVHSCCN-CYBMUJFWSA-N 309.906 5.151 30 10 DKEE C=CCC(CC=C)[C@H](N)c1c(Cl)cccc1C(F)(F)F 2364084889 XWWIMFOTBCOCHU-AWEZNQCLSA-N 303.755 5.127 30 10 DKEE C=C[C@H](C)C[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2366841935 JLLYWHPYTLYZLL-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE COc1ccc2ccccc2c1/C=C1/CCc2ccccc2C1=O 32271314 CCKGHZJIVCKRGM-VKAVYKQESA-N 314.384 5.061 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl 37346289 CDHAFVDVFPJAHB-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE C=CCOc1ccc2ccccc2c1CN[C@H]1CCC[C@H](C)C1 66117351 SRXLZTZSYUOBAW-WMZOPIPTSA-N 309.453 5.073 30 10 DKEE CCCCCCCCCC[C@H](O)c1csc2ccccc12 115652992 RQQWCTGOTGLANF-SFHVURJKSA-N 304.499 6.466 30 10 DKEE CCCCCC[C@@H](C)Oc1cc(Br)ccc1C#N 123470365 FKDNVTMHMVHQBK-GFCCVEGCSA-N 310.235 5.058 30 10 DKEE CCCCCCCCCCCCNc1ccnc2ccccc12 141019713 BSNZXYWUNSHLHG-UHFFFAOYSA-N 312.501 6.568 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1snnc1C(C)C 143451990 MWEASQCDNXUSTH-OAHLLOKOSA-N 311.539 5.453 30 10 DKEE CCCCCCCCCCCCC(=O)c1ccc(Cl)s1 165109952 ZOKUBRYAFFZVOQ-UHFFFAOYSA-N 314.922 6.895 30 10 DKEE N#C[C@H](Sc1ccccc1Br)C1CCCCC1 167879093 TXASHXJXXBDBFC-AWEZNQCLSA-N 310.260 5.014 30 10 DKEE C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(Cl)s1 183020030 GIRJDCCSOIBVGD-GFCCVEGCSA-N 318.873 5.053 30 10 DKEE N#Cc1cc(Br)ccc1Sc1cccc(Cl)c1 229239262 RINXPZQKPHPJKI-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CC(C)CC(CC(C)C)Nc1cc(Br)ccc1C#N 232567587 KUKNPOKXRADXIH-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3ccc(O)cc3)ccc21 254852117 ULKOAQZZBLLKFJ-UHFFFAOYSA-N 314.388 5.271 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Sc1cc(Cl)cc(Cl)c1 306097354 NFNQGCUMEUCWPM-QMTHXVAHSA-N 300.254 5.558 30 10 DKEE CCCCCCCCCCC[C@H](C)[C@H](O)CCCC(=O)O 334161614 CVBGKXNGRXLHHT-DLBZAZTESA-N 300.483 5.159 30 10 DKEE C=CCCCCCNc1cc(Cl)ccc1OC(F)(F)F 393302578 RKOOBUBRKHCIOO-UHFFFAOYSA-N 307.743 5.397 30 10 DKEE CC(C)C[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698385240 YMCMJZMRDZNVLX-DOTOQJQBSA-N 322.493 5.131 30 10 DKEE CCC[C@H]1CCC[C@](C#N)(N(CCC)C(=O)OC(C)(C)C)CC1 698965228 OXHXWRMZVMVASB-LPHOPBHVSA-N 322.493 5.276 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1ccc(Cl)c(Cl)c1 701840485 ZCAKHWFUHCMBKV-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCCCNCCc1ccc(Cl)c(Cl)c1 716295881 SLARWMHZSJVJFO-UHFFFAOYSA-N 302.289 5.486 30 10 DKEE CC1(C)OB(C[C@@H](c2ccccc2)C2CCCC2)OC1(C)C 1902514568 XARMITGSDXTRIL-KRWDZBQOSA-N 300.251 5.053 30 10 DKEE CSc1cc(N(Cc2ccccc2)[C@@H](C)C2CC2)ccc1C#N 1905527873 SOTFFTPJVMNLHQ-HNNXBMFYSA-N 322.477 5.085 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(C)sc1Br 1951015856 FSVFMOXSQKOZRE-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCN(Cc1ccccc1)C[C@H]1CCCC[C@@H]1C(F)(F)F 1962674998 KRLKHEVEDGRBPV-SJORKVTESA-N 311.391 5.043 30 10 DKEE CC(C)(C)C1CCC([C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CC1 1984463122 WTTICPUVFGLJJD-QDIHITRGSA-N 306.299 5.321 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccn(Cc2ccccc2)n1 1992808672 NLIFEDXZMLUZTF-LJQANCHMSA-N 313.489 5.072 30 10 DKEE C[C@H]1CC=C(C(=O)c2cccc(Br)c2Cl)CC1 2010608499 JEWZNJLAFJXBAO-VIFPVBQESA-N 313.622 5.032 30 10 DKEE C=CCCCCCCNc1cc(Cl)c(Cl)c(Cl)c1 2085840370 XOILEEUKCDMEBB-UHFFFAOYSA-N 306.664 6.195 30 10 DKEE CCCCCCCCCCC[C@H](N)c1csc(Cl)c1 2098235088 YRXOTSAGVPGMGI-HNNXBMFYSA-N 301.927 6.322 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(C)c(Br)c(C)c1 2102111216 LFKBNIJTZIVHCC-YVEFUNNKSA-N 324.306 5.319 30 10 DKEE C[C@@H](CC1=CCCCC1)Nc1ccc(C#N)cc1Br 2105123084 DMKQBUIWBTYVGF-LBPRGKRZSA-N 319.246 5.012 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2ccc(C)cc2Br)C1 2125728910 MUHFLWLYXDXAOJ-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H](O)c1sccc1Cl 2148596456 ROKUJCXYYGGKPY-GJZGRUSLSA-N 317.926 5.293 30 10 DKEE Cc1cc(NCc2ccc(C#N)cc2Cl)c(C)cc1Cl 2154475077 GSEIWYHMHPOSIF-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE CC[C@]1(C)CCSC(=Nc2ccccc2SC(C)C)N1 2158456657 FJNDIISBOBVLLS-MRXNPFEDSA-N 308.516 5.070 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)CCc1cc(Cl)cc(Cl)c1 2173646028 RALLDEZNQXKFFY-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)c(F)cc1F)[Si](C)(C)C 2179366065 XEHPPGOCXZWBAQ-OAHLLOKOSA-N 317.883 5.093 30 10 DKEE C#C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)C1CCCCC1 2203799163 VSOWFNKCAZZSLV-PXAZEXFGSA-N 310.268 5.226 30 10 DKEE CCCCCCCC[C@](C)(CN)N(Cc1ccccc1)C(C)C 2212637790 FRSFZHYYVXBHSG-OAQYLSRUSA-N 318.549 5.365 30 10 DKEE FC(F)(F)Oc1ccc(SC[C@H](CS)C2CCC2)cc1 2235919697 OFPGFYWBDICCRG-NSHDSACASA-N 322.417 5.023 30 10 DKEE CCCCCCCC[C@](C)(O)c1c(C)ccc(Cl)c1F 2240616868 XAMLZWUWHLLQLJ-KRWDZBQOSA-N 300.845 5.746 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(OCc2ccccc2)cc1 2244631326 KDHLCYWURNXZOA-NRFANRHFSA-N 309.453 5.402 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(Br)c(C)s1 2250162671 BJMMJQWDYZXWCQ-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC1(CSc2ccc(C#N)c(Cl)c2)CC(C(F)(F)F)C1 2287317264 OHAQOBBMLCTNJK-UHFFFAOYSA-N 319.779 5.282 30 10 DKEE O=C1C(=Cc2cccc(Br)c2)CC[C@@H]1C1CCCC1 2297334127 FISNCXVKVOKPLG-MRXNPFEDSA-N 319.242 5.002 30 10 DKEE CC(=CC(C)(C)C)C(=O)Nc1ccccc1S[C@H](C)CC#N 2309745739 SNNDFRFZUMQELS-CQSZACIVSA-N 316.470 5.012 30 10 DKEE C=CCC(CC=C)[C@](C)(O)c1cc(F)c(Cl)cc1Cl 2338690048 BSAXICZBORVPPO-HNNXBMFYSA-N 303.204 5.108 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(C(F)F)s1 2345138757 BMVAARTULLPOTG-UHFFFAOYSA-N 308.821 6.272 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(C(F)(F)F)c(Cl)c1 2364087610 UUWPYRHBSMPCQR-UHFFFAOYSA-N 302.723 5.310 30 10 DKEE C[C@H]1NC=Nc2c1cc(-c1ccccc1)c(-c1ccccc1)c2C#N 27867636 KRAANSPQXQFPDR-OAHLLOKOSA-N 323.399 5.216 30 10 DKEE CC[C@H](Nc1cc(C#N)cc(F)c1C)c1cccc(Cl)c1 37089314 XHTOSWKKMABBRX-INIZCTEOSA-N 302.780 5.222 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)cc2F)C1 37156725 RFDPTEORPZOUPI-MQIPJXDCSA-N 309.425 5.411 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1cccc(Cl)c1Cl 37937169 MBPIIGWDLOVICM-CYBMUJFWSA-N 311.599 5.324 30 10 DKEE Cc1cccc(Cn2c(Cl)c(C#N)c3ccc(C)c(C)c32)c1 71465648 VZARQERMAVAVOV-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE COc1ccc(CSc2cc(Cl)ccc2Cl)cc1C#N 87833687 ZDXZIJCTJKWFMD-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE CCCC(CS)(CCC)CN1CCc2sccc2[C@H]1C 94580113 BETRFQYYGHHZOJ-CQSZACIVSA-N 311.560 5.184 30 10 DKEE CCC(CC)(CS)COc1ccc(Cl)c2cccnc12 94583150 GLVJTKVFZWMHKF-UHFFFAOYSA-N 309.862 5.003 30 10 DKEE CCCCCCCCCCOC(=O)Nc1nc2ccccc2[nH]1 105420970 BGPPBYOBEHUTMJ-UHFFFAOYSA-N 317.433 5.252 30 10 DKEE CCCCCCC[C@@](C)(NC1CC1)c1nc(C(C)C)cs1 109691119 OREAOXABNJVLKG-GOSISDBHSA-N 308.535 5.594 30 10 DKEE CCCCCCCCCC[C@@H](O)CSC1CCCCC1 115647434 JNLXYUDHNAAJKG-QGZVFWFLSA-N 300.552 5.944 30 10 DKEE CCCCCCCCC[C@H](O)c1c(F)cc(OC)cc1F 115859637 LSMSGLOJEZIVMV-INIZCTEOSA-N 300.389 5.148 30 10 DKEE CCCCCCCC[C@H](NC)c1cc2cccc(Cl)c2o1 130650600 UZCWUWZMFVHHKX-INIZCTEOSA-N 307.865 6.097 30 10 DKEE CCSc1cccc(SCc2ccc(Cl)cc2)c1C#N 165990090 MTIVZLHFMQFQNY-UHFFFAOYSA-N 319.882 5.616 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2 226726782 GHRFCSRKFMQJFB-KKLQWCBXSA-N 322.411 5.538 30 10 DKEE Clc1ccccc1C=Nc1nccc2c1ccc1ccccc12 254287102 JBSJUYNWWTXPEX-UHFFFAOYSA-N 316.791 5.792 30 10 DKEE C(/C=C/c1ccccc1)=Nc1ccc2oc(-c3ccccc3)nc2c1 254554900 IMVWCLZUTNURIR-WKOROFCSSA-N 324.383 5.911 30 10 DKEE Cc1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 254706210 LRESEYSYBUYARF-UHFFFAOYSA-N 301.389 5.325 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1C#N)c1c(F)cccc1Cl 313716951 VLVXPJMYKXNGLT-VIFPVBQESA-N 309.171 5.177 30 10 DKEE O=C(C1=CCCCCCC1)c1ccccc1OCc1ccccc1 383571513 CJBURIHRFTZKCE-UHFFFAOYSA-N 320.432 5.729 30 10 DKEE CCOc1ccc(/C(CC)=N/OCc2ccc(Cl)cc2)cc1 821220964 PJUCXXBGELYBHE-CZIZESTLSA-N 317.816 5.070 30 10 DKEE CCc1ccccc1C#Cc1ccc(Cl)c(Br)c1 1614827549 AYCGKQFYCIPTNJ-UHFFFAOYSA-N 319.629 5.065 30 10 DKEE CC1(C)OB([C@H]2C[C@H]2c2cc(Cl)c(Cl)s2)OC1(C)C 1882184434 KOYGOBQQKUZNCO-SFYZADRCSA-N 319.062 5.005 30 10 DKEE CC1(C)CC(=O)C=C(c2ccc(OCc3ccccc3)cc2)C1 1899849472 MRJHBASYORKKTN-UHFFFAOYSA-N 306.405 5.038 30 10 DKEE C[C@@H](CCS)CCN(Cc1ccccc1)CC1CCCC1 1931882465 UDYCCRSILUAXOZ-QGZVFWFLSA-N 305.531 5.025 30 10 DKEE C=CCC[C@H](C)[C@@H](N)c1cc(Cl)c(C)c(Br)c1 2002244510 OZARCPWBSVYPRF-LKFCYVNXSA-N 316.670 5.013 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(F)ccc1Br 2035579796 OQCYKGSCGQZXPG-HNNXBMFYSA-N 317.242 5.156 30 10 DKEE N#Cc1cc(NCc2cc(Cl)c(Cl)s2)ccc1Cl 2037472282 FCTCXNZNCGOJFG-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CCc1nn([C@@H](CC)c2ccc(C(C)C)cc2)c(Cl)c1C#N 2079893998 WHBVJNRVFVUBDZ-KRWDZBQOSA-N 315.848 5.093 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1 2096545625 NBLMYLWUBBKYTE-MLGOLLRUSA-N 300.273 5.779 30 10 DKEE CCCCCCCCCC(=O)c1c(Cl)cncc1Cl 2107723914 UMHRBYPYPNAOGJ-UHFFFAOYSA-N 302.245 5.712 30 10 DKEE C=C(C)CC[C@H](N)c1ccc(-c2ccc(Br)cc2)o1 2107770936 NWVATDHLSUUUNS-AWEZNQCLSA-N 320.230 5.065 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1ccc(C)c(Br)c1C 2108011924 MGWNGPFFVJOLBK-GUYCJALGSA-N 324.306 5.319 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2139114395 CUDVRKOEGFQGPA-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1c(Cl)cccc1Cl 2148591357 XIQIPOGYPUVPND-HOCLYGCPSA-N 318.288 5.105 30 10 DKEE CCCSc1ccccc1Nc1cccc(Cl)c1C#N 2158460879 YMEYYFWSRZDQLD-UHFFFAOYSA-N 302.830 5.457 30 10 DKEE CCCCCCCCCCCC[C@H](O)CCCCSC 2172975713 ZHKNNFAMRTWDFG-SFHVURJKSA-N 302.568 6.192 30 10 DKEE N#C[C@@]1(CCc2cc(Cl)cc(Cl)c2)CCCCC12CC2 2173610957 DNCXSEKJPOTMBG-KRWDZBQOSA-N 308.252 5.790 30 10 DKEE CO[C@H]1CCC[C@@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 2182783863 MFLHKEYVAVDQCV-JKSUJKDBSA-N 312.240 5.025 30 10 DKEE C#CC[C@@H](C)CC(=O)c1ccc(-c2ccccc2Cl)s1 2196823755 SFIFALPBRPLYGF-GFCCVEGCSA-N 302.826 5.301 30 10 DKEE CCCCCC#CC[C@H](NCC)c1ccc(Cl)c(Cl)c1 2203791067 KRUZGXLTPMZXIU-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE C=CCCN(Cc1ccccc1)c1cc(Cl)c(N)cc1Cl 2209530616 PZIJMKCOTLQQSQ-UHFFFAOYSA-N 321.251 5.158 30 10 DKEE N[C@H](CCCC(F)(F)C(F)(F)F)c1cc(C(F)F)cs1 2240461237 XTYQJUWCOJVVTD-SSDOTTSWSA-N 323.277 5.053 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(OCc2ccccc2)cc1 2244634038 KDHLCYWURNXZOA-OAQYLSRUSA-N 309.453 5.402 30 10 DKEE C=CCCCCCCCSC[C@@H](NC)c1ccc(C)s1 2287195222 WXJQRIJOMZWFQX-MRXNPFEDSA-N 311.560 5.577 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cccc(Cl)c1Cl 2287408047 DIRNJFRHKKKSDT-MRXNPFEDSA-N 314.300 6.171 30 10 DKEE Cc1cc(OC(C)C)c(C)c(C)c1C(=O)C=Cc1ccccc1 2295968017 UJBCNEOLNDMBTG-UHFFFAOYSA-N 308.421 5.295 30 10 DKEE CC1(C)C[C@@](CCN=Cc2ccccc2)(c2ccccc2)CCO1 2297748019 YOJQZXNBEFAKNG-QFIPXVFZSA-N 321.464 5.023 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(O)ccc1Br 2321049928 RTNRLPNCGPGRPM-GFCCVEGCSA-N 314.267 5.316 30 10 DKEE CC[C@H](C)Oc1ccc2c(c1C)OC(=Cc1ccccc1C)C2=O 2324714246 DTAVQUFNOUIRCV-AWEZNQCLSA-N 322.404 5.097 30 10 DKEE C=C([C@H](CCc1cc(Cl)cc(Cl)c1)NC)C(C)(C)C 2341109365 DHDXOYXCUFEQIJ-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(C(F)F)s1 2345161852 ONJHWBDMPDZTSF-LLVKDONJSA-N 310.837 6.123 30 10 DKEE CC(C)(C)[C@](C)(CS)CSC[C@@H]1CCCCC1(F)F 2352290875 QTDDAQYIYNDRSI-GXTWGEPZSA-N 310.519 5.527 30 10 DKEE CCCN[C@H](C#Cc1cccs1)c1cc(Cl)cc(Cl)c1 2363550250 JVBAUYFLVBAMGG-MRXNPFEDSA-N 324.276 5.147 30 10 DKEE CCCCCCCCC[C@H](O)c1csc(C(C)(C)F)n1 2367891897 SDXPBJZFGOSOCO-AWEZNQCLSA-N 301.471 5.522 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ncc(C(F)F)s1 2370521492 JPPYCVOTBTZZBR-IUODEOHRSA-N 302.434 5.114 30 10 DKEE C=CCc1cc(C(C)(C)C)cc(C=O)c1OCc1ccccc1 66117758 IIIKJDZKSGGTHV-UHFFFAOYSA-N 308.421 5.104 30 10 DKEE CCCc1nc(-c2ccc(C(C)(C)C)cc2)sc1CS 82428436 NGTLFXPMVKZJEH-UHFFFAOYSA-N 305.512 5.490 30 10 DKEE CCCCCCC[C@H](NCC)[C@H](C)Oc1cccc(Cl)c1 139551569 OYIATXNAPUOVFP-YJBOKZPZSA-N 311.897 5.446 30 10 DKEE CCCCCCC[C@@H](NCC)c1c(Cl)cccc1Cl 158038589 PNJHOTKZNZRYBJ-OAHLLOKOSA-N 302.289 6.005 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccc(Cl)c(C)c1 159025172 WGYYKCFLGCAWOV-LJQANCHMSA-N 309.925 6.440 30 10 DKEE CCCCCCCCNc1ccc2cc(Cl)cnc2c1C#N 196595507 FWWMUOCZNQRPBC-UHFFFAOYSA-N 315.848 5.532 30 10 DKEE CCCCCCC/C=C/CCCCCCCCCCCC(=O)O 197211651 BGFFHXSFFMDHSZ-CMDGGOBGSA-N 324.549 7.279 30 10 DKEE CCCCCCC[C@H](NCC)[C@H]1CCCC[C@H]1C(F)(F)F 252985612 LJJKPYOFSVHOTA-XHSDSOJGSA-N 307.444 5.694 30 10 DKEE CCC(CC)(CS)CSc1ccc(Cl)cc1Cl 322604323 JABSJBPNGXLUAL-UHFFFAOYSA-N 309.327 5.822 30 10 DKEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698469893 OALMFILHCXTLIV-LJQANCHMSA-N 316.445 5.209 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccsc1Br 698659790 CIYKNHVAUNZXAM-CYBMUJFWSA-N 318.324 5.651 30 10 DKEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698867315 FBNZHPXMTZLJMY-IBGZPJMESA-N 316.445 5.209 30 10 DKEE CCCCCCCCC(=O)Nc1cc(C)c(Cl)cc1OC 1866090195 NHWMQYCBKJGXSK-UHFFFAOYSA-N 311.853 5.346 30 10 DKEE CCOc1ccc(Cl)cc1/C=C/C(=O)c1cccc(Cl)c1 1874577370 KQBODLBUYSMMIO-SOFGYWHQSA-N 321.203 5.288 30 10 DKEE C#C[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 1918870860 FIXJFBCYNCRPIC-HBNTYKKESA-N 316.659 5.099 30 10 DKEE C=CCCCC[C@@H](CCCOCc1ccccc1)NCCC 1975336362 XHTYZRRVFHCMHG-FQEVSTJZSA-N 303.490 5.098 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 1990801336 ILEKDEXYKSRSQC-UHFFFAOYSA-N 319.370 5.284 30 10 DKEE C=C(C)CCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2027883231 ZQYNOIIORMURRR-JTQLQIEISA-N 306.664 5.654 30 10 DKEE O=C(C=Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 2040455054 MYXIXLDIEIKQAU-UHFFFAOYSA-N 318.803 5.903 30 10 DKEE C=CCCCCCC[C@@H](N)c1c(C)cccc1Br 2085856873 RVZKTHOYUWGKKU-OAHLLOKOSA-N 310.279 5.284 30 10 DKEE C=C([C@H](NCCC)c1cccc(C)c1Br)C(C)(C)C 2096635462 YXUALGMLWFBCMP-INIZCTEOSA-N 324.306 5.401 30 10 DKEE C=C([C@@H](NCCC)c1c(Cl)cncc1Cl)C(C)(C)C 2107965324 VFQDTKHHQSIEFJ-CQSZACIVSA-N 301.261 5.031 30 10 DKEE C#CC[C@@H](C[C@H](NCCC)c1cc(C)c(Cl)s1)C1CC1 2196852827 DQKZGLUYTNXCHT-GJZGRUSLSA-N 309.906 5.190 30 10 DKEE N#Cc1ccccc1Oc1ccc2ccc(Br)cc2c1 2207499372 BOYAYCIPBCYWIB-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Br)s1 2214613121 KIZXDAHXOPEJDZ-LBPRGKRZSA-N 316.308 5.427 30 10 DKEE C=CC[C@@H](CN[C@H](C)CC)Cc1cc(Cl)sc1Cl 2223557353 LHNUIRVVFZMIFO-GHMZBOCLSA-N 306.302 5.178 30 10 DKEE C=CCCCCCCCNc1ccc(CC)cc1Br 2227270242 DVURKGWIKQINFV-UHFFFAOYSA-N 324.306 5.950 30 10 DKEE C=CCCCCCCCCOC[C@H](N)c1ccc(Cl)s1 2234045767 YMJYVZSXZBPUEV-AWEZNQCLSA-N 315.910 5.335 30 10 DKEE CCCCCCCC[C@H](C)NCc1cc(C(F)F)cs1 2240636879 BVMZTOSXRUYUIW-ZDUSSCGKSA-N 303.462 5.914 30 10 DKEE O=C(CC#CC1CCCC1)c1c(Cl)ccc(Cl)c1Cl 2274192558 MUEKEHLTBYWQBV-UHFFFAOYSA-N 315.627 5.413 30 10 DKEE CCCCCCCC[C@](C)(O)C(=O)c1cc(Cl)cs1 2274591819 JQAUNUOOOKZWKF-HNNXBMFYSA-N 302.867 5.086 30 10 DKEE CC(C)(C)C#CC=CCC(=O)Cc1ccc(Cl)cc1Cl 2284071966 ZGVFWUASPFRSPB-UHFFFAOYSA-N 309.236 5.101 30 10 DKEE CCCCCCC[C@@](C)(OCC(=O)O)c1sccc1Cl 2290733311 NHKILDNHPHPZAU-OAHLLOKOSA-N 318.866 5.078 30 10 DKEE C=CC1(C[C@H](NCC)c2ccc(C(F)(F)F)s2)CCC1 2294995718 BLFKVVHMDQGOAR-NSHDSACASA-N 303.393 5.164 30 10 DKEE C=CC[C@H](C)Sc1ccnc2ccc(Br)cc12 2298937122 WIORXBYFVJJTII-JTQLQIEISA-N 308.244 5.054 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cccc(Br)c1Cl 2304122936 QKCLZBHWJDWSHE-KGLIPLIRSA-N 317.654 5.128 30 10 DKEE C=C([C@H](NCCC)c1ccc(C)cc1SC)[Si](C)(C)C 2368137838 MGNGAXFEZIBYEH-KRWDZBQOSA-N 307.579 5.191 30 10 DKEE Cc1cccc(/C=C2\CS/C(=C\c3cccc(C)c3)C2=O)c1 4882775 FTTVEJUDKAEMHH-MZTKBTAGSA-N 306.430 5.044 30 10 DKEE Clc1ccc(Cl)c(/N=C2\NC[C@H](c3ccccc3)S2)c1 35294307 JQNOBWKDUFKNFM-CQSZACIVSA-N 323.248 5.059 30 10 DKEE N#Cc1cnc2ccccc2c1Oc1ccc(Cl)cc1Cl 36913432 VJJJFAGYKGJXHO-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 59089817 GOVKEQLJVWFOLG-CYBMUJFWSA-N 303.368 5.746 30 10 DKEE CCCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1OCC 62166024 OGGPEBJRFNABRV-ACCUITESSA-N 324.420 5.160 30 10 DKEE C#CCSc1nc(C)nc2sc(C)c(-c3ccc(C)cc3)c12 75321315 YPXWPCPMECFQOV-UHFFFAOYSA-N 324.474 5.009 30 10 DKEE C=C(CC)CNc1c(Cl)cc(Br)cc1Cl 85057309 WVBZQBKINVNKDD-UHFFFAOYSA-N 309.034 5.134 30 10 DKEE C=C(CC)C[C@@H](Cc1c(Cl)cccc1Cl)NCCC 97208589 OGJHECRNZLCIBR-ZDUSSCGKSA-N 300.273 5.260 30 10 DKEE CCCCCCCCOc1ccccc1[C@@H](C)NCC1CC1 100047162 YVXQDDIBLCYCQH-QGZVFWFLSA-N 303.490 5.487 30 10 DKEE CCOc1ccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)cc1 103029850 RSKVEVUIQOXNNC-YPKPFQOOSA-N 309.409 5.017 30 10 DKEE CCCCCCCCNc1ccc(SC2CCCC2)cc1 109886013 QBCZNKWVNGRYJI-UHFFFAOYSA-N 305.531 6.494 30 10 DKEE CCCCCCC[C@H](CNC(C)C)Cc1cccc(Cl)c1 113023233 YNXWJLZPOOFGRJ-SFHVURJKSA-N 309.925 5.857 30 10 DKEE CCCCCCCCCCNc1nc2cc(Cl)ccc2s1 129444292 AXGSZKUDTOEWST-UHFFFAOYSA-N 324.921 6.502 30 10 DKEE CCCCCCCCCC[C@H](NCCC)[C@@]1(C)CCCS1 143466992 SQWNZUQAUGGYMQ-RBUKOAKNSA-N 313.595 6.171 30 10 DKEE CCCCCCCC[C@H](N)c1cccc(C)c1Br 232953827 AIMQLJKPVQMLHR-HNNXBMFYSA-N 312.295 5.508 30 10 DKEE C(/C=C/c1ccccc1)=NN=C1c2ccccc2-c2ccccc21 254303974 QTIALTXBSFBWBB-NDFXXKICSA-N 308.384 5.204 30 10 DKEE CCCN[C@H](CC#CC(C)(C)C)c1c(Cl)cccc1Cl 312211609 PUAMDCHAWMIRHJ-OAHLLOKOSA-N 312.284 5.474 30 10 DKEE CCCCCCCCOCc1cc(Br)ccc1C 313765109 FQYVOAOCYVZQJK-UHFFFAOYSA-N 313.279 5.635 30 10 DKEE CC(C)CCC(=O)/C=C\c1ccc(NC(=O)OC(C)(C)C)cc1 405928151 QRKAFUMYANDXQF-LCYFTJDESA-N 317.429 5.052 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cc2cscc2s1 686693384 NIFUBNXOGIERSH-HNNXBMFYSA-N 305.512 5.587 30 10 DKEE CC[C@@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698849086 BTCCJFFJKYHNRB-DOMZBBRYSA-N 322.836 5.020 30 10 DKEE CCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698852717 RUWJSXOEUFKIAL-HNNXBMFYSA-N 322.836 5.164 30 10 DKEE CC[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 710834720 YUYVIQHVMLYHNY-WFASDCNBSA-N 322.836 5.020 30 10 DKEE CCCCCCC[C@@H](Cc1scnc1Cl)NCCC 722023605 MOYDXJLDPGEPEP-ZDUSSCGKSA-N 302.915 5.068 30 10 DKEE CCCCCCC[C@@H](C)Nc1cncc(Br)c1C 722734652 HVZPVHAFYPFVJM-GFCCVEGCSA-N 313.283 5.313 30 10 DKEE Fc1cc(SC(F)(F)F)cc2cc(C(F)(F)F)sc12 725305121 ODGVNJFKUXDPCD-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CCCCCCCCCCc1ccc(C(=O)CC[N+](=O)[O-])cc1 1848439954 ZMDVCVCKSVJALU-UHFFFAOYSA-N 319.445 5.219 30 10 DKEE C=CCOc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1 1874624217 ROMSYIUYTSRWSK-VGOFMYFVSA-N 306.405 5.271 30 10 DKEE CC#CCCCCC[C@@H](NCC)c1ccc(Br)cc1 1885237194 PRRWXWCOYYQZPX-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CC[C@H](CS)CN(Cc1ccccc1)[C@@H](C)c1cccs1 1915087099 QOZIMTHNJIOMSL-HOTGVXAUSA-N 319.539 5.267 30 10 DKEE C=C(C)C[C@H](N)c1ccc(-c2ccccc2Br)s1 2045623107 PYDXFIQYGFBWDA-ZDUSSCGKSA-N 322.271 5.144 30 10 DKEE N#Cc1sc(-c2ccc(F)cc2C(F)(F)F)cc1Cl 2080380114 PIOSHZFMPBSYKA-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2cc(Cl)c(C)c(Cl)c2)N1 2090413333 CHYKPJHKJLMWMT-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE CCCCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1F 2139394685 WPPDFNASZWAQCL-ZDUSSCGKSA-N 306.252 5.883 30 10 DKEE CCCCCCCCCN[C@@H]1CCC[C@H](P(C)(C)=O)C1 2160843669 MHMOCISPFULCEN-SJORKVTESA-N 301.455 5.261 30 10 DKEE CCCCCCCCCC[C@@]1(O)CS[C@H](C(F)(F)F)C1 2189219337 APAKZJZKJBIIEM-KBPBESRZSA-N 312.441 5.316 30 10 DKEE CCCCC#CCC(=O)c1cc(Cl)cc(C(F)(F)F)c1 2203874684 CDTHLOKNIIYXMK-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCCCCCNc1c(C)ccnc1Br 2219989288 TZQYZKISFYGTMP-UHFFFAOYSA-N 313.283 5.315 30 10 DKEE CCCC[C@](C#N)(CC)[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2237917986 ZRWWRUSHCYDYEP-HOTGVXAUSA-N 314.256 5.311 30 10 DKEE CC[C@@](O)(C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2289777362 QGVMRAMFROGFJO-QGZVFWFLSA-N 311.252 5.175 30 10 DKEE CCCN[C@H](C#Cc1cccs1)c1ccc(Cl)cc1Cl 2363706348 LQSAPNUCRJLYFL-MRXNPFEDSA-N 324.276 5.147 30 10 DKEE CC#CCCCC[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2366405062 LOQNKWOSYAHLSZ-OAHLLOKOSA-N 316.247 5.367 30 10 DKEE Brc1ccc(C#Cc2cc3ccccc3s2)cc1 6402996 SFQJBTBQCONHMX-UHFFFAOYSA-N 313.219 5.064 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(Cl)cc2Cl)c(F)c1 36886480 IKSQMTGERYZMPY-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CC[C@H](Oc1c(Cl)c(C)nc(C)c1Cl)c1ccccc1 72264406 JKRSEWJEHHMDOG-AWEZNQCLSA-N 322.235 5.701 30 10 DKEE CCCCCCCCCC[C@@H](OC)n1nnc2ccccc21 100000795 FZSGEFKIXIKMFE-GOSISDBHSA-N 303.450 5.107 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(Cl)c(C(F)(F)F)c1 110162653 UIHYGXPUYMYAAL-QMTHXVAHSA-N 316.754 5.243 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(Cl)ccc1Cl 115856724 NMZRPAVDGXBRSE-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCCC[C@@H](Cc1nc2ccccc2s1)NC 116000301 CTTBHUASGIAHOB-HNNXBMFYSA-N 304.503 5.177 30 10 DKEE CCCCCCCC[C@@H](N)Cc1cccc(C(F)(F)F)c1 116722724 UQOJXOMHZLNPRR-MRXNPFEDSA-N 301.396 5.326 30 10 DKEE CCCCCCCC[C@H](N)c1cccc(F)c1Br 159121202 WGSFLYBXNPFHFX-AWEZNQCLSA-N 316.258 5.339 30 10 DKEE CC(C)(C)n1c(-c2sccc2Cl)nc2cc(C#N)ccc21 159132595 VRWQAYSJEKNKHE-UHFFFAOYSA-N 315.829 5.045 30 10 DKEE N#Cc1cc(Br)ccc1Nc1cccc2ccccc12 229164570 ZIIZNPWJZZDLQO-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE Cc1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1F 254819084 PXLANMMICOQCNE-UHFFFAOYSA-N 319.379 5.464 30 10 DKEE Cc1cc(C2(C#N)CCCCC2)ccc1OCc1ccccc1 260605499 NVYATDSJSZEPBD-UHFFFAOYSA-N 305.421 5.300 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@](C)(C#N)CC1CCC1 698375937 KRWRBLVKWDDJGP-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698867317 FBNZHPXMTZLJMY-LJQANCHMSA-N 316.445 5.209 30 10 DKEE Cc1c(Cl)cccc1OCCCCCCCCCS 702652366 CHHDARPIIISGKC-UHFFFAOYSA-N 300.895 5.688 30 10 DKEE C=CCCC(C)(C)CNCCc1cc(Cl)cc(Cl)c1 722110593 YGVLUDXIKSJXTD-UHFFFAOYSA-N 300.273 5.118 30 10 DKEE CCc1c(SC(F)(F)F)cc(CC#N)c2ccsc12 725303450 LCOMOJRHWRUKFG-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE O=C1/C(=C\c2cccs2)[C@@H](c2ccccc2)c2ccccc21 1088701367 DIWNXQFVJGLQQR-LJLZWOEMSA-N 302.398 5.160 30 10 DKEE CCCCCCCCCNC(=O)c1ccc2nc(C)sc2c1 1860292192 WVJKBEZTQNDMJC-UHFFFAOYSA-N 318.486 5.085 30 10 DKEE O=C(ON=C1CCCCCCC1)c1cc(Cl)cc(Cl)c1 1860820579 ZRLJNWQHGGKMSD-UHFFFAOYSA-N 314.212 5.251 30 10 DKEE C=CCN(Cc1ccccc1)Cc1cc(F)c(Cl)cc1Cl 1893241857 RAXQQQTYEXBGKT-UHFFFAOYSA-N 324.226 5.321 30 10 DKEE CCCCCCCCC[C@@]1(O)C[C@@H](C)N(Cc2ccccc2)C1 1919636604 QSDBRSDCOHWSRS-TZIWHRDSSA-N 317.517 5.153 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)C1CCCCCCC1 1922110524 LKSBBCNZUORVIC-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE CCCCCCC[C@]1(N)CC[C@H](C)C[C@@H]1OCc1ccccc1 1977490524 PBPQTSYQFCCIAK-JBACZVJFSA-N 317.517 5.450 30 10 DKEE C=C(COCc1ccccc1)[C@](C)(O)C1CCC(CCC)CC1 1980220265 UVLXTHKPJPAYKB-MNLRITNHSA-N 316.485 5.117 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1cccc(C2CC2)c1 2070123444 KVMFQRNLNBBWFH-INIZCTEOSA-N 318.464 5.399 30 10 DKEE C=C1CCC(C[C@](C)(O)c2cc(Cl)sc2Cl)CC1 2075725513 TVIYPDNQDDJLLP-AWEZNQCLSA-N 305.270 5.399 30 10 DKEE Cc1cc(C)c([C@@H](C)n2nc(C(C)C)c(C#N)c2Cl)c(C)c1 2079999160 VTMCDXWQMMQLTQ-CQSZACIVSA-N 315.848 5.066 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1ccoc1Br 2085857364 YBDJPIVRSOAAME-CQSZACIVSA-N 314.267 5.219 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ncc(Cl)s1 2107919376 LUJFKCOVIXJYAW-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc(Cl)sc1Cl 2141905951 QAAXEBJPLRHOGJ-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1scnc1Cl 2154628295 HOLIKKZLJQYAMJ-CQSZACIVSA-N 316.942 6.107 30 10 DKEE C=CC1(C[C@@H](O)c2ccc(C(F)(F)F)c(Cl)c2)CCC1 2168028528 NCBKNMZCVJNLAH-CYBMUJFWSA-N 304.739 5.139 30 10 DKEE CCCCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@H]1N 2172985846 AUVIRKZZQWFIGE-HLIPFELVSA-N 301.455 5.247 30 10 DKEE C=C1CC(C[C@H](Cc2c(Cl)cccc2Cl)NCCC)C1 2182158380 RDWJYGBOSNXLJE-CQSZACIVSA-N 312.284 5.260 30 10 DKEE C=CC[C@H]1CCCCN1Cc1sc2ccccc2c1Cl 2195817209 JMUQCWPVQUXBDN-ZDUSSCGKSA-N 305.874 5.485 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1cc(Cl)sc1C 2235522126 QNLZBMVYUBNEJH-MRXNPFEDSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCCSc1ccc(F)c(Cl)c1C=O 2287078855 QZDCODRFCNVBNY-UHFFFAOYSA-N 314.853 5.910 30 10 DKEE C=CCCCCCCCSc1ccc([C@H](C)O)c(Cl)c1 2287189465 NFVZATYQPQXVOP-AWEZNQCLSA-N 312.906 6.012 30 10 DKEE CCCCCCCCC[C@H](C)NCCCSC(C)(C)C 2295669060 PWMGPLOYPSXGAO-KRWDZBQOSA-N 301.584 6.027 30 10 DKEE CC(C)=C1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]2(C)C1=O 2313652940 NWHGLVFSMBKWMI-RPVUOXGTSA-N 314.513 5.935 30 10 DKEE C=C1C[C@H]1[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2319247135 SSHKIODGSAOJPA-QMTHXVAHSA-N 304.648 5.264 30 10 DKEE C=CCC(CC=C)[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 2338745697 YWADRSMBNWTZLL-OAHLLOKOSA-N 302.220 5.075 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)Cc1cc(F)c(Cl)cc1Cl 2349893630 QYPNKJWRCMRELQ-GJZGRUSLSA-N 305.220 5.028 30 10 DKEE COc1c(Cl)cc(CC2(C=O)CCCCCC2)cc1Cl 2365503561 IKBMCBRVDMVPMQ-UHFFFAOYSA-N 315.240 5.084 30 10 DKEE Cc1c([C@@H](C#N)Nc2ccccc2F)ccc(Cl)c1Cl 2366020463 SVJCMZJELBOSGX-CQSZACIVSA-N 309.171 5.118 30 10 DKEE C=CC[C@@H](CCCc1cc(Cl)cc(Cl)c1)CNC(C)C 2366905601 DTWATPZBZFTPDV-AWEZNQCLSA-N 314.300 5.506 30 10 DKEE CC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 49532230 QKQKHYRMBXIBMQ-ZDUSSCGKSA-N 310.344 5.202 30 10 DKEE CCCCCCCCCCCCOc1ccc(N)cc1Cl 59710150 BXDTVBNISPDUTG-UHFFFAOYSA-N 311.897 6.222 30 10 DKEE Cc1cc2ncn(CCCCCCCCCS)c2cc1C 97799916 XLTWBUKABRPPFU-UHFFFAOYSA-N 304.503 5.314 30 10 DKEE CCCCCCC[C@H](Cc1ccc(F)cc1Cl)NCCC 112899306 NLDHNMDVOYTBDK-QGZVFWFLSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCCOc1cccnc1Br 115759907 ISDOGWJOXRIORE-UHFFFAOYSA-N 314.267 5.364 30 10 DKEE CCCCCCCCCNc1ccc(Cl)c2cccnc12 158616130 CTELBUFQFSLWMO-UHFFFAOYSA-N 304.865 6.051 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(F)ccc1C(F)(F)F 164718772 VOZXOMAXTZTRNX-OAHLLOKOSA-N 303.343 5.242 30 10 DKEE CCCCCCCCCSc1ccc(S)c2ncccc12 195991923 BNHSOKVDKITRIU-UHFFFAOYSA-N 319.539 6.366 30 10 DKEE Cc1cc(Cl)ccc1Nc1ccc(C#N)cc1Br 213370173 BQYRQTSJHMCPMD-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(C2(C#N)CCCCC2)cc(F)c1OCc1ccccc1 260712463 VTNSWOCZPRSWTM-UHFFFAOYSA-N 323.411 5.439 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 300172659 RNOPBLODNGQBIS-ZOBUZTSGSA-N 316.576 5.712 30 10 DKEE C=CCC(C)(C)COCc1ccc(Br)cc1Cl 378676685 PLYSTLLIDNSMJL-UHFFFAOYSA-N 317.654 5.221 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)[C@H](C)C2CC2)C1 385765488 ALXFOBNHBACMGN-DGQTTZFYSA-N 310.485 5.006 30 10 DKEE CCCCCCCCC[C@H](CCOCc1ccccc1)NC 395574180 VOQUDCPMCIFJEW-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Br)oc1C 396466251 LOTFKJGYBGDAAM-ZDUSSCGKSA-N 303.240 5.135 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2cccc(Cl)c21 692191427 QTBADMOTLOBVCL-BXUZGUMPSA-N 306.862 5.286 30 10 DKEE CCCCCCCCCCCCSCCCCCCN 705133403 LYBWEQOLTCFTRH-UHFFFAOYSA-N 301.584 6.160 30 10 DKEE CCCCCCC[C@H](CCCOCc1ccccc1)NCCC 719129903 LYGCAPDJRDJZMB-OAQYLSRUSA-N 319.533 5.712 30 10 DKEE CCc1ccc(/C(C)=N/OCc2ccc(Cl)c(Cl)c2)cc1 1857936151 WWORDKKGDSHZTN-UDWIEESQSA-N 322.235 5.497 30 10 DKEE CCCCCCCCC(=O)NCC(C)(C)c1cccc(Cl)c1 1866090111 BZOAIOJQMCORFD-UHFFFAOYSA-N 323.908 5.484 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(OCc2ccccc2)cc1 1903202818 PWBCLLLOPAEZJL-NHCUHLMSSA-N 310.437 5.291 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccccc1CC 1922092205 QLHOUPSVJKWCJM-QFIPXVFZSA-N 323.480 5.063 30 10 DKEE C=CCCCC[C@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 1984553367 JMZBXDKVTJVEGW-KRWDZBQOSA-N 319.445 5.122 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(Br)c(Cl)c1C 1993952518 ZYVZFZUWTCBOKD-SECBINFHSA-N 302.643 5.178 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2059115438 RSLKOGDVWJAMDA-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE CC(C)(C)c1ccc(Cn2nc(C3CCCCC3)cc2C#N)cc1 2070099190 ILMSLKQVVQJNDN-UHFFFAOYSA-N 321.468 5.148 30 10 DKEE C#Cc1cc(C2CCC2)nn1[C@@H](C)c1ccc(C2CCC2)cc1 2070121666 FJABVEYPUSKIPV-HNNXBMFYSA-N 304.437 5.009 30 10 DKEE C=C[C@@H](NCc1c(Cl)ccc(Cl)c1Cl)C1CCC1 2077184261 HLTYUGALDNXXAI-CYBMUJFWSA-N 304.648 5.091 30 10 DKEE C=C([C@H](NCCC)c1cc(C)cc(Br)c1)C(C)(C)C 2096630769 HQXKXGUIUCFZDZ-INIZCTEOSA-N 324.306 5.401 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Cl)c(F)cc1F 2179364766 FPLNUFPBCXXBGF-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(F)c(Cl)c(F)c1 2201606943 YGDIRTBRJBVXSO-HNNXBMFYSA-N 303.824 5.629 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](N)c1ccc(Cl)cc1Cl 2207459559 WOQWLCZUBIIBHA-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE C=CCCCC[C@@H](O)c1cc(NC(=O)OC(C)(C)C)ccc1C 2211835617 RBJHRTHQJRYWTH-QGZVFWFLSA-N 319.445 5.122 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1cccc(Cl)c1Cl 2235523504 GNYUTRJBJYFYTP-QGZVFWFLSA-N 314.300 6.084 30 10 DKEE C=CC[C@H](C)OC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2238019562 YHWRWSAXGZFVST-BLLLJJGKSA-N 316.272 5.015 30 10 DKEE CCCC(CS)(CCC)CSCC12CCC(CC1)C2 2274293405 ROZYXGSKHINZBN-UHFFFAOYSA-N 300.577 5.816 30 10 DKEE C=CCC[C@@H](C)[C@H](OCCCN)c1cc(Cl)sc1Cl 2277118809 KVXDXCWYAVXVEV-MFKMUULPSA-N 322.301 5.064 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)c(Cl)cc1C 2281486799 AVQMLCAJUSXDTL-CQSZACIVSA-N 316.316 6.853 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@@H](N)C#Cc1ccc(Cl)cc1 2286477798 XFRMHPKCRUCICQ-INIZCTEOSA-N 324.638 5.007 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(-c3cccc(Cl)c3)o2)cc1 2293034633 ZJGHZYSPLLZMBK-UHFFFAOYSA-N 322.791 5.805 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1ccc(Cl)s1 2295688974 LISSUOIHURRXEK-JKSUJKDBSA-N 317.926 5.293 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=Cc1ccc(-c2ccccc2)cc1 2296887476 ROQZEYAVWDLISJ-NZQKXSOJSA-N 316.444 5.762 30 10 DKEE CCCCCCCCCCCC=CCCCCCCC(=O)O 2297732049 INLBKXOFAJTNKG-UHFFFAOYSA-N 310.522 6.889 30 10 DKEE Cc1ccc(NN=Cc2cccc(OCC(C)C)c2)cc1Cl 2322974651 HCFOVANRKZBCKL-UHFFFAOYSA-N 316.832 5.129 30 10 DKEE C=CCC(CC=C)S[C@H](c1ccc(Cl)s1)[C@@H](N)CC 2335196315 DTRXLJVPOIRUTH-WFASDCNBSA-N 315.935 5.434 30 10 DKEE Cc1c(C[C@]2(C#N)CCC(F)(F)C2)ccc(Cl)c1Cl 2338855307 ZKBSXRQEQXDXPY-CYBMUJFWSA-N 304.167 5.174 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1sc(Cl)cc1OC 2344386355 VYXSUDCJRZJBKA-CABCVRRESA-N 301.883 5.053 30 10 DKEE CCCCCCCC[C@@H](O)c1c(Cl)cc(C)cc1Cl 2352848695 CTVUWWIKLHDQRC-OAHLLOKOSA-N 303.273 6.086 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2364096056 RXLGWPNRLLAJAH-KRWDZBQOSA-N 312.284 5.721 30 10 DKEE C#CC[C@H](C)C[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377370183 AZLDWGXEDHYKQR-MEDUHNTESA-N 316.247 5.223 30 10 DKEE CC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154024 OJCPJZSQNWJVGW-HEHGZKQESA-N 307.890 5.787 30 10 DKEE CCc1ccc(-c2sc(C#N)c(N)c2-c2cccs2)s1 52902354 LGKIBXZWRGGBCP-UHFFFAOYSA-N 316.476 5.221 30 10 DKEE CCCCCCCCNc1c(Cl)cc(Cl)cc1Cl 109769614 IPWNZHSYVHJKQT-UHFFFAOYSA-N 308.680 6.419 30 10 DKEE CCC[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 109947625 ZJZNYPCUTSOLKU-QGZVFWFLSA-N 302.780 5.304 30 10 DKEE C=CCSc1ccccc1N[C@H](CC)c1ccccc1F 127275203 QEIQAQMHUIWRMA-MRXNPFEDSA-N 301.430 5.667 30 10 DKEE Cc1cc(Cl)c(N[C@@H](C)c2cccc(C#N)c2)cc1Cl 128037023 QFLGIZKXCMBAQW-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCC[C@@H](CCc1cccs1)NC 166356166 AAGFQWAEBHGSAP-SFHVURJKSA-N 309.563 6.190 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ncc(Cl)cc1Cl 168244817 JFDJNGBWJOOGAO-OAHLLOKOSA-N 317.304 5.790 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccc(Cl)o1 232947772 WNHFQVKGTSQOAR-OAHLLOKOSA-N 300.870 6.277 30 10 DKEE N#Cc1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1 257351391 DVEKRFWBAHGMLG-UHFFFAOYSA-N 306.368 5.615 30 10 DKEE N#Cc1cc(F)cc(Nc2ccc(OCc3ccccc3)cc2)c1 310375967 ZNVWUNVUGCXYBE-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CCCCCCCCCCCC[C@H](NN)[C@@H](C)CSC 312195804 QEYIABCHQZNJFQ-IRXDYDNUSA-N 302.572 5.128 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1cc(Cl)sc1Cl 312581528 LKMINJKJHNUXGF-JTQLQIEISA-N 317.628 5.385 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@@H](C)C1CCCCC1 698379969 SVPMESHRMUTBJJ-ZOBUZTSGSA-N 322.493 5.131 30 10 DKEE CCCCCCCNc1nc(NCC)c(Cl)cc1Cl 703779228 YRTZYEKBONYTSO-UHFFFAOYSA-N 304.265 5.203 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1ccccc1OCc1ccccc1 715719270 IXHGQLDIZCJINT-UWJYYQICSA-N 309.453 5.128 30 10 DKEE FC(F)(F)c1ccccc1C#Cc1cc(Cl)cc(Cl)c1 725433901 JMBMQOKTIULUNM-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CCCCCCCCOCC1(NCc2ccccc2)CCC1 1915832859 YSZIYLZHKULOKT-UHFFFAOYSA-N 303.490 5.076 30 10 DKEE CCCCCCCCC[C@H](O)c1cnc(Cl)c(Cl)c1 1917239605 VDXMSHGCAJTHNJ-AWEZNQCLSA-N 304.261 5.563 30 10 DKEE CCSc1ccc(Cl)cc1C(=O)C=Cc1cccs1 1951307665 OSVJHTVHHFBIFB-UHFFFAOYSA-N 308.855 5.410 30 10 DKEE C=C(CC)C[C@H](NCC)c1c(Cl)cccc1Br 2000327374 QPWAEQYZPOEFAV-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE CC#CCCC[C@@H](NCC)c1cccc(OCc2ccccc2)c1 2018330342 QEBXIHIROUWQMD-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE CCCCCCCCC[C@@H](O)c1snc(Cl)c1Cl 2048326240 WZZSZUNQFDUKGB-SNVBAGLBSA-N 310.290 5.624 30 10 DKEE CCCCCCCCOc1ccc(Br)cc1CC 2076818277 PTNZUHAOOWANAF-UHFFFAOYSA-N 313.279 5.751 30 10 DKEE CCCCCCC[C@H](NC)[C@@H](O)c1cc(Cl)sc1Cl 2092178780 CVVCACVDUKCKKQ-AAEUAGOBSA-N 324.317 5.037 30 10 DKEE C=CCCC(C)(C)n1c(S)nc2ccc(Cl)c(Cl)c21 2103442476 VFFILEVIGJXSRY-UHFFFAOYSA-N 315.269 5.333 30 10 DKEE C#CC[C@@H](C)CC(=O)c1ccc(-c2cccc(Cl)c2)s1 2196823143 OQEGZKYULQJWRT-GFCCVEGCSA-N 302.826 5.301 30 10 DKEE C=CCCCCCCCC[C@H](C[C@@H](C)P(C)(C)=O)NC 2207439415 WMSUMMPVPCDPLF-IAGOWNOFSA-N 301.455 5.283 30 10 DKEE C=CCCCCCCCC(=O)c1snc(Cl)c1Cl 2220092401 KUFPVVFLLOOHFX-UHFFFAOYSA-N 306.258 5.549 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(C)c(Cl)cc1F 2234745072 FAEHBENSOVUTNE-KRWDZBQOSA-N 300.845 5.962 30 10 DKEE CCCC(CS)(CCC)COc1ccc(SC)c(C)c1 2236027272 BCFUPGGIMRKBSS-UHFFFAOYSA-N 312.544 5.612 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1c(Cl)cccc1Cl 2293268820 MTPJAZUXQRJPNX-OAHLLOKOSA-N 316.272 5.146 30 10 DKEE C=C([C@@H](OCCCN)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2293346955 AFANLZDCYBJYOJ-OAHLLOKOSA-N 316.272 5.002 30 10 DKEE Cc1ccc(NN=Cc2ccccc2OCc2ccccc2)cc1 2322930411 ZYQCBGTVSUKHMV-UHFFFAOYSA-N 316.404 5.020 30 10 DKEE CC(C)CC(CC(C)C)Oc1ccc(C#N)c(Br)c1 2335228058 KRBGBNYPDRZYQQ-UHFFFAOYSA-N 324.262 5.160 30 10 DKEE CC[C@@H]1CC[C@@](C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2C)C1 2366101587 VSFMQLUVTICTMF-XFBWCDHKSA-N 312.240 5.055 30 10 DKEE CCc1ccc(C#N)c(NCc2cc(Cl)cc(Cl)c2)c1 2366882891 XEEQOQQGHUVEGT-UHFFFAOYSA-N 305.208 5.040 30 10 DKEE C/C(=N/Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl 34701021 ZDTKWHIGGRBOJE-UWVJOHFNSA-N 315.150 5.108 30 10 DKEE N#CC1(Sc2ccc(Cl)cc2)CC2(CCCCCC2)C1 90244342 IWMRPONEIVRCGY-UHFFFAOYSA-N 305.874 5.829 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(C(C)(C)C)cc1 105882985 DPQLJYJBTXWQIM-UHFFFAOYSA-N 317.517 5.855 30 10 DKEE C[C@@H](CS)Cc1c(Cl)c(Cl)cc(Cl)c1Cl 107502342 VSCMARSDZCUDEW-RXMQYKEDSA-N 304.069 5.409 30 10 DKEE CCCCCCCCO[C@@H](c1ccc(Cl)s1)[C@@H](C)N 109988675 YGISDMBMXBYXOE-IUODEOHRSA-N 303.899 5.167 30 10 DKEE CCCCCCCCCCCC[C@@H](CSC(C)(C)C)NC 115644999 YBGPSNMKJMYVMU-SFHVURJKSA-N 315.611 6.417 30 10 DKEE CCCCCCCC[C@@H](N)c1sccc1Br 128360113 YMZQCNDTUAWMCY-GFCCVEGCSA-N 304.297 5.261 30 10 DKEE N#Cc1ccc(NCc2c(Cl)oc3ccccc23)cc1Cl 164447914 RCNLQIAALRXBBW-UHFFFAOYSA-N 317.175 5.223 30 10 DKEE CCCCCCCCC(=O)c1cc(F)ccc1Br 164750361 BRUZTKRXOLWHEF-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE Cc1ccc(-c2ccc(C#C[Si](C)(C)C(C)(C)C)nc2)cc1 203618134 KZVCMUJCYZGTOD-UHFFFAOYSA-N 307.513 5.456 30 10 DKEE Cc1c(Cl)cccc1Nc1ccc(C#N)cc1Br 213225374 ZEKMHBUPEVAVPE-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@@H](CSc1ccccc1Cl)NCC 233536967 IYCQLDBAUPFEIJ-HNNXBMFYSA-N 311.922 5.547 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl 704042099 XOSUBLWOYNRUCR-NSHDSACASA-N 318.263 5.776 30 10 DKEE Cc1ccc(Cl)cc1N=C1NC2(CCCCCC2)CS1 713234771 DMAQNDRFGRXNMA-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cccc(F)c1Cl 1892439452 QOPBYJXKJOAWCV-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=CC[C@H](C)SCc1sc(Cl)cc1Br 1893000392 INIDJGXHDALLER-ZETCQYMHSA-N 311.697 5.362 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@H](C)CCO 1915114220 GDJCXEWNIFAPRH-LJQANCHMSA-N 305.506 5.010 30 10 DKEE CCC(C)(C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1989852448 AKBZQSLMSCITOT-LJQANCHMSA-N 316.445 5.147 30 10 DKEE C=CCCCCCC[C@]1(N)CCCC[C@@H]1OCc1ccccc1 1995174284 YCBKHJDSGXYMBE-SFTDATJTSA-N 315.501 5.370 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1cc(Br)ccc1C 2040531283 WZLULWPBHRQQIP-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=CCCCCC[C@@H](NCC)c1snc(Cl)c1Cl 2048325154 VJWXOXYUWGQBFV-SNVBAGLBSA-N 307.290 5.237 30 10 DKEE C=CCCCC[C@@H](NCCC)c1snc(Cl)c1Cl 2059116246 ZPFWXIBPDLDHQF-SNVBAGLBSA-N 307.290 5.237 30 10 DKEE C#Cc1ccccc1CNc1cc(Cl)c(Cl)c(Cl)c1 2113855146 ZKRVWQSZBTVSKZ-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cc(Br)ccc1F 2117013589 KGRAZHQDPIGVQS-INIZCTEOSA-N 324.237 5.241 30 10 DKEE C=C1CC(C[C@H](NCC)c2ccc(C)c(Br)c2C)C1 2125741765 HMSSKRJLEXEXJQ-INIZCTEOSA-N 322.290 5.073 30 10 DKEE CCCCC#CC[C@H](NCCC)c1scc(Cl)c1Cl 2138980203 AYKXQEJBCXOHNR-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE CCCCCCCCCC[C@]1(N)CC[C@H](P(C)(C)=O)C1 2160795164 ZTHZEWHPWTZKCB-IRXDYDNUSA-N 301.455 5.390 30 10 DKEE O=C(CC#CC1CC1)c1ccc(-c2cccc(Cl)c2)s1 2164073116 DLQMIUZIJKKXBC-UHFFFAOYSA-N 300.810 5.055 30 10 DKEE CCC(CC)(CC)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203955277 XYLUBDYNJCVKJF-CQSZACIVSA-N 312.240 5.386 30 10 DKEE CN[C@@H](CC#CC(C)(C)C)c1ccc(-c2cccs2)s1 2205871734 KRIUUSREVDCYAF-ZDUSSCGKSA-N 303.496 5.177 30 10 DKEE C=CCCCCCCCC[C@H](O)c1csc(C(F)F)n1 2207431398 FEKVAFIJBDVEJW-ZDUSSCGKSA-N 303.418 5.421 30 10 DKEE C=CCCCCCCCOc1cc(C)cnc1Br 2220087003 HQFMRVYHVHPTBV-UHFFFAOYSA-N 312.251 5.058 30 10 DKEE SCCCCCCCCCSCCCCCCC1CC1 2239319417 AMHNIRHMGGMGPF-UHFFFAOYSA-N 316.620 6.741 30 10 DKEE SC[C@H](CSCCCCCCC1CC1)c1ccccc1 2239320541 LBGKQDXHWNTCEX-GOSISDBHSA-N 308.556 5.794 30 10 DKEE C=CCCSC[C@@H](NCC)c1c(Cl)ccc(F)c1Cl 2271597218 RVLJNXJNQOTTKD-GFCCVEGCSA-N 322.276 5.092 30 10 DKEE C=C1CCC(CC(=O)c2cc(Cl)c(OC)cc2Cl)CC1 2281582806 FZANEGYYALCTNP-UHFFFAOYSA-N 313.224 5.321 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2csc(Cl)c2OC)CC1 2284269933 SCKJKRIETJRPCX-CQSZACIVSA-N 313.894 5.197 30 10 DKEE C=CCCCCCCCSCCN[C@@H](C)c1cccs1 2287081159 ZMKZXFGLDXOUGL-INIZCTEOSA-N 311.560 5.659 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1sc(Cl)cc1OC 2344395191 IILASMCOCUEVKB-CQSZACIVSA-N 301.883 5.053 30 10 DKEE C=CCC(CC=C)Sc1c(Cl)cccc1CNC(C)C 2360372436 SXJNYGWPTRLPBZ-UHFFFAOYSA-N 309.906 5.451 30 10 DKEE C=CCC(CC=C)[C@@H](Cc1c(Cl)cccc1Cl)NCC 2364073013 WHSVQSOLMBLZEL-QGZVFWFLSA-N 312.284 5.282 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1ccc(Cl)cc1C(F)(F)F 2364086872 PEQGXJPMKSDGMK-CQSZACIVSA-N 303.755 5.127 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1cc(Cl)ccc1Cl 2370483040 QPICSZQAFFUKSA-IAGOWNOFSA-N 314.300 6.027 30 10 DKEE CCCC#CC[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377370461 DPTSYKVCWVXRSC-MRXNPFEDSA-N 316.247 5.367 30 10 DKEE S=c1[nH]c2ccc(/N=C/c3ccc(Cl)cc3)cc2s1 59383725 PTRNWZSGAOQHBV-LZYBPNLTSA-N 304.827 5.363 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2sccc2Br)C1 87972953 RUMKSOAVKUSUND-SMDDNHRTSA-N 312.276 5.163 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2cccc(Cl)c2Cl)CC1 91881567 VKTFFDGERIIPPV-AWEZNQCLSA-N 312.240 5.137 30 10 DKEE CCc1ccsc1C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 94531354 XVVKTHNPWKXYNH-LBPRGKRZSA-N 324.232 5.107 30 10 DKEE CC(C)C(/N=N/c1ccccc1)=N\Nc1nc2ccccc2s1 102115686 BTDUJVCGFGZGSH-WBRURFBUSA-N 323.425 5.462 30 10 DKEE CCCCCCCCCC[C@H](Cc1ccccc1Cl)NC 109732381 DBAWBLGCAASZMN-GOSISDBHSA-N 309.925 6.001 30 10 DKEE CCCCCCCCCC[C@@H](CSC1CCCCC1)NC 115647523 UEUXVWKJTAWNSE-SFHVURJKSA-N 313.595 6.171 30 10 DKEE CCCCCCCCCCCCCCCCCC(=O)NC1CC1 116227985 QSYJXLFKTLRZHO-UHFFFAOYSA-N 323.565 6.527 30 10 DKEE CCCCCCCC[C@H](CN)c1ccc(Br)cc1 118846369 ITPFHPUSJXVMIM-OAHLLOKOSA-N 312.295 5.242 30 10 DKEE CC(C)(C)[C@H]1CCC[C@H](Nc2cc(C#N)ccc2Cl)CC1 127812927 ZYYPBEDQZQSHSS-GJZGRUSLSA-N 304.865 5.619 30 10 DKEE CCCCCCCCCCC(=O)[C@H]1SCCS[C@H]1CC 162084176 ATGIYOGAVIQHCH-DLBZAZTESA-N 316.576 5.714 30 10 DKEE CCCCCCCCCCC[C@H](CCc1cccs1)NC 166356294 AAGFQWAEBHGSAP-GOSISDBHSA-N 309.563 6.190 30 10 DKEE Cc1ccc(N/N=C/c2ccc(OCC(C)C)cc2)cc1Cl 169879572 XEBDUNSEPQFAMZ-RGVLZGJSSA-N 316.832 5.129 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(C)cc(Br)c1 229755993 BTNPMYGMLMEABG-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CCCCCCCCSCC[C@H](C)NC(=O)OC(C)(C)C 238217908 QACQWYWCTSDFPZ-HNNXBMFYSA-N 317.539 5.383 30 10 DKEE N#Cc1cc(Cl)cc(OCc2ccc(Cl)c(Cl)c2)c1 311977634 MDFGVGQXJJGQEB-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE C=CCCC[C@@H](N)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 406769831 BWAZVNHIHILUEG-OAHLLOKOSA-N 324.852 5.043 30 10 DKEE N#Cc1cc(Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl 514260968 CUKWBJWQCBLXIG-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CCCCCCCCOc1cc(F)c(Cl)cc1[N+](=O)[O-] 690606911 ULOXLLPNTJNZIP-UHFFFAOYSA-N 303.761 5.127 30 10 DKEE CC[C@H]1CCCCC[C@@H]1Nc1cc(Br)ccc1C#N 691078617 ULHDFOCUYDOXBR-WFASDCNBSA-N 321.262 5.092 30 10 DKEE C[C@@H]1CC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCCC2)C1 698865134 FASDZFXKJGOIIX-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1cscc1Cl 711547676 INGVPHKJCBUOHU-QGZVFWFLSA-N 315.954 6.712 30 10 DKEE Cc1cccc(Cl)c1N=C1NC2(CCCCCC2)CS1 713237309 NTNYLRZZTPFSRO-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE C=C1CCC(CNc2cc(C)c(Br)c(C)c2)CC1 724548454 BUKVREVRTJXEBO-UHFFFAOYSA-N 308.263 5.224 30 10 DKEE Fc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1 1848363593 FQCRCVCBEOBAPQ-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCCCCCCC(=O)N1[C@H]2CCCC[C@H]2[C@H]2CCCC[C@H]21 1866357303 YKTHKLGELCPFLK-FGYAAKKASA-N 319.533 5.697 30 10 DKEE C=CCOc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1874633907 ANLNTJQLESQHEQ-DHZHZOJOSA-N 306.405 5.073 30 10 DKEE CCCCCCCCCN(C)Cc1snc(Cl)c1Cl 1883436156 ZNLFTNJDMYCCDU-UHFFFAOYSA-N 323.333 5.632 30 10 DKEE C=CCCCCCCCCCNCCN(C)Cc1ccccc1 1995324738 AMNHOEYVNPSBGL-UHFFFAOYSA-N 316.533 5.015 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@H](CC)NCC)cc1 2013173335 BPZBAVBYLOIWIO-QFIPXVFZSA-N 322.496 5.330 30 10 DKEE CCCCCC#CC[C@@H](O)c1ccc(OCc2ccccc2)cc1 2024330622 MSKJYKGUWRSKHM-JOCHJYFZSA-N 322.448 5.273 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Br)ccc1F 2085840449 YHGIUZSXAKWZEV-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc(C(F)F)cs1 2177438917 XBUGSOCULADRJQ-CQSZACIVSA-N 301.446 5.863 30 10 DKEE CCCCCCCC[C@H](C)NC[C@@H](C)COCc1ccccc1 2212662684 UJYLCUDWZCMWES-UXHICEINSA-N 319.533 5.568 30 10 DKEE C=CCCCCCCC[C@H](O)c1cnc(Cl)c(Cl)c1 2227284735 CBKIORIXDFVCSW-AWEZNQCLSA-N 302.245 5.339 30 10 DKEE C=CCCCCOC[C@@H](NCC)c1cc(Cl)ccc1Cl 2234041427 JJRMPYHYYKWIPB-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE C[C@H](NCCC#CC(C)(C)C)c1cc(Cl)cc(Cl)c1F 2238715250 IKYRMQFQNCQVKZ-NSHDSACASA-N 316.247 5.223 30 10 DKEE C=C(C)CC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243544557 FDETYJOQDDPASM-MRXNPFEDSA-N 318.461 5.007 30 10 DKEE N#C[C@H](CSCC1CC(C(F)(F)F)C1)C1CCCCC1 2287323535 VIQCLTCTZOZAGI-HRDQMINSSA-N 305.409 5.028 30 10 DKEE CCCCCCCC[C@H](OCC(=O)O)c1cc(Cl)cs1 2290605905 QUOXURFZZBPKEM-ZDUSSCGKSA-N 318.866 5.294 30 10 DKEE CCCCCCCCC[C@@H](C)Nc1cc(Cl)cnc1Cl 2295675416 BCLNVOIMTLWBCY-CYBMUJFWSA-N 317.304 6.330 30 10 DKEE CC(C)c1ccc(NC=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2297681128 RUZYUVBHMQGKLY-UHFFFAOYSA-N 321.464 5.916 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(Br)ccc1C 2321098261 IMVHAANDECRPRN-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE Cc1cc(C)c([C@@H](C#N)Cc2ccc(C(C)(C)C)cc2)c(C)c1 57744883 QHWCLQULEUUYCD-LJQANCHMSA-N 305.465 5.759 30 10 DKEE Cc1ccc(C#N)c(Nc2cc(Cl)c(Cl)cc2Cl)c1 110251868 WZYZSWBVKVNIHG-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C[C@H](c1cccc(Cl)c1)N(C)c1ccc(Cl)cc1C#N 110258539 ZHHZLKDMIZDWMP-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1CCC[C@H](C(F)(F)F)C1 139507124 AAFWMOBQIZLDGT-PMPSAXMXSA-N 307.444 5.823 30 10 DKEE CCCCCCCC(=O)c1cc(Br)ccc1Cl 164705410 JAFGAHZLMRRZQY-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE C=CCCC[C@H](NCCC)c1cccc(Br)c1C 167698333 UPUGQSATYSIQGT-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCC(=O)Cc1cccc(F)c1Br 229301682 DRTGZFULEYFZOV-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE Cc1cc(C(=O)C2=CCCCCC2)cc(C)c1Br 235836803 BCUHUVNBPPTRLZ-UHFFFAOYSA-N 307.231 5.139 30 10 DKEE C=CC[C@H]1N(C(=O)OC(C)(C)C)CCCC[C@]12CC=CCC2 238079697 RRFRRVGRIPTXGP-VQIMIIECSA-N 305.462 5.079 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Br)oc1C 396482786 YDSNWAFYONICRC-AWEZNQCLSA-N 316.283 5.362 30 10 DKEE CCCCCCCCN[C@H](CN(C)Cc1ccccc1)C(C)C 397961657 PNJOEHORRBJIHY-OAQYLSRUSA-N 318.549 5.093 30 10 DKEE C=CCCCCCCCCCOc1ccc(O/N=C/C)cc1 585668842 QQAVPRHJLSQDES-LRNAUUFOSA-N 303.446 5.757 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1cc2cscc2s1 693971908 LCALOEJMYKTPBV-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE CC[C@@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698925402 YHSYIPRQTPJEQY-DNVCBOLYSA-N 316.445 5.065 30 10 DKEE Cc1cc(C)cc(N=Cc2ccccc2OCc2ccccc2)c1 1084408260 HZZPYQQHYNCMMH-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE C=C1CCC(C[S@](=N)(=O)c2ccc(Cl)cc2Cl)CC1 1879723343 NUUZXTDJPYYJLC-IBGZPJMESA-N 318.269 5.145 30 10 DKEE C=C[C@H](C1CCC1)n1c(S)nc2ccc(Cl)c(Cl)c21 1892963394 RLYKDDJBCNRSQM-LLVKDONJSA-N 313.253 5.159 30 10 DKEE C=CCC(CC=C)C(=O)c1ccccc1OCc1ccccc1 1900974882 AXJKZGDEWTZICC-UHFFFAOYSA-N 306.405 5.217 30 10 DKEE CCCCCCC[S@@](=N)(=O)c1c(Cl)cccc1Cl 1917888839 MPCWDHGQFFBNIX-GOSISDBHSA-N 308.274 5.369 30 10 DKEE C=C([C@@H](NCCC)c1cccc2ccsc12)[Si](C)(C)C 1922872840 HWNGEQWQQDFNSF-MRXNPFEDSA-N 303.547 5.376 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccccc1)C1CCC1 1932000450 OQBTXORQODMRNK-UHFFFAOYSA-N 319.558 5.558 30 10 DKEE C=CCC[C@@H](C)n1ccc2cc(OCc3ccccc3)ccc21 1975919320 APNNUUPTRRMAHO-QGZVFWFLSA-N 305.421 5.748 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCCC(C)(C)C1 1980286141 LSDWMLAYKXWATQ-HNAYVOBHSA-N 322.493 5.132 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Br)cc2F)C1 2112239432 KUABGQHJEAROGE-INIZCTEOSA-N 324.237 5.241 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1ncc(Cl)s1 2164168045 IYHZIZICMOJHKY-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Cl)cc(C(F)(F)F)c1 2200837051 YMPPZZOIDFEJTD-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CCCCCCCC[C@@H](NN)c1c(Cl)ccc(Cl)c1F 2204412877 RSGOSFKFKZEVOC-CYBMUJFWSA-N 321.267 5.388 30 10 DKEE FC1(F)CCC[C@H](OCC2(CS)CCCCCC2)CC1 2207044819 YMVDUTGGEJQXOL-AWEZNQCLSA-N 306.462 5.241 30 10 DKEE C=C(C)CC[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2225665335 CVVJMMDSXVLLRL-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE C=C1CC([C@@H](NCCC)c2ccc(Br)cc2CC)C1 2229184445 FEYGZCBNKYVCST-QGZVFWFLSA-N 322.290 5.018 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccc(F)c(Cl)c1F 2235524065 MCYPNQNRPIYSMU-CQSZACIVSA-N 302.792 5.568 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235756384 JJQPZKCOFFWWLE-WCQYABFASA-N 312.240 5.242 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1F)c1cc(Cl)cc(Cl)c1 2237996666 JNIDMRNMRWFJQR-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)c1cc(C)c(Cl)s1 2239456848 BFWCFXKAOBGIPW-AWEZNQCLSA-N 324.276 5.066 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cccc(OCc2ccccc2)c1 2250183257 KVUTYSAMUNYLNR-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE C=C(C)CCCC[C@](N)(CC)c1ccc(Br)cc1 2259198115 CDBWIFMNRVTZFO-MRXNPFEDSA-N 310.279 5.150 30 10 DKEE CC(C)(C)C#CC=CCCC(=O)c1ccc(Br)cc1 2268737998 SPJMQOQBFHIZFW-UHFFFAOYSA-N 319.242 5.018 30 10 DKEE C=CCCCCCCCSCc1nc(Cl)cc(Cl)n1 2271595709 AUPNMAUPNWDELD-UHFFFAOYSA-N 319.301 5.543 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1ncc(Cl)s1 2278229531 MSFWBRQIMSMHGM-CYBMUJFWSA-N 302.915 5.415 30 10 DKEE CCCC1CCC(C=O)(Cc2cc(Cl)nc(Cl)c2)CC1 2286777856 HCERBOMHBVHAIQ-UHFFFAOYSA-N 314.256 5.107 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Cl)cc(C(F)(F)F)c1 2287413388 JAGJOYPHFQQNGU-CQSZACIVSA-N 305.771 5.495 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@H](CSC)C(C)(C)C 2295682068 MIIBHDNNFOBABH-IAGOWNOFSA-N 301.584 5.883 30 10 DKEE C=CCC(CC=C)[C@@H](Cc1ccc(Cl)cc1Cl)NCC 2364086409 LLWMZBDGBXKJMZ-QGZVFWFLSA-N 312.284 5.282 30 10 DKEE C=C(C)COc1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@@H]21 20753037 DRIZJZGZPHJSTL-UVFQYZLESA-N 323.461 5.530 30 10 DKEE CCOc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1 33424224 XYMULKFGTLJBNS-YHYXMXQVSA-N 321.203 5.288 30 10 DKEE C=CCCC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 71276652 QTOVUKMGKLHOQP-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE CCSc1ccc(Cl)cc1C(=O)/C=C/c1cccs1 83193129 OSVJHTVHHFBIFB-VOTSOKGWSA-N 308.855 5.410 30 10 DKEE Cc1cc(C(=O)/C=C/c2ccc(F)cc2)c(C)cc1OC(C)C 83193673 OFPJRNDWRYVZHS-JXMROGBWSA-N 312.384 5.126 30 10 DKEE Cc1cc(C)cc(CSCC2(CS)CCCCCC2)c1 94721433 LBLZIUBPAQKLCB-UHFFFAOYSA-N 308.556 5.807 30 10 DKEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCCCCCCCS 97799716 ZBEVVONDBFPNRD-CEXWTWQISA-N 314.579 6.124 30 10 DKEE N#Cc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1 100041582 VNQXUAPNDIVOGB-BUVRLJJBSA-N 306.368 5.615 30 10 DKEE CCCCCCCCCNc1ccc(F)c(C(F)(F)F)c1 110165158 APDSAOFBUWNNFQ-UHFFFAOYSA-N 305.359 6.007 30 10 DKEE CSc1cccc(Nc2cccc(Cl)c2Cl)c1C#N 136617387 NPEDYCURIYWFDF-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE CCCCCCCOc1c(Cl)cccc1CNC(C)(C)C 169170186 LVHWNWIGTWXEGE-UHFFFAOYSA-N 311.897 5.577 30 10 DKEE CC(C)CCCCCCNc1cc(Br)cc(C#N)c1 232541150 PTBSHGPZELABRI-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE Clc1cccc(C=Nc2ccc(NC3CCCCC3)cc2)c1 252637309 XRTAHCRCOZEVNP-UHFFFAOYSA-N 312.844 5.835 30 10 DKEE C=CCCCCCNCc1ccc(OCc2ccccc2)cc1 390756513 WLYJMURYMOMCIX-UHFFFAOYSA-N 309.453 5.102 30 10 DKEE CC1(C)OB(/C=C\c2cccc(Oc3ccccc3)c2)OC1(C)C 396759820 GDBFVMQGOUCWKD-YPKPFQOOSA-N 322.213 5.124 30 10 DKEE CC(C)c1cc(Br)ccc1O[C@@H](C)CC(C)(C)C#N 695786744 KKILYJOJHZQVJR-LBPRGKRZSA-N 324.262 5.280 30 10 DKEE Cc1ccc(NN=Cc2ccc(-n3c(C)ccc3C)cc2)cc1C 1088739732 PKOSNWJFKBQQKV-UHFFFAOYSA-N 317.436 5.157 30 10 DKEE CN(C)c1ccc(/C=C/C=N/c2ccc(Cl)c(Cl)c2)cc1 1616045894 KMYHBYRZRVIRNB-YQJIRVCQSA-N 319.235 5.475 30 10 DKEE CCCCCCCCCCNc1cc(N(CC)CC)nc(C)n1 1859792889 RVMLZVIGKOPYBF-UHFFFAOYSA-N 320.525 5.184 30 10 DKEE CC[C@]1(C)CCSC(=Nc2ccc(Cl)c(Cl)c2F)N1 1893165452 IORJWUFJZLDJSY-CYBMUJFWSA-N 321.248 5.015 30 10 DKEE C=C(CC)C[C@H](NCCC)c1scc(C)c1Br 1950858076 FJVVSTKVJMNWOX-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE C=C(CC)C[C@@H](NCC)c1sc(CC)cc1Br 2000382799 RIUDRIURJSLJNR-CYBMUJFWSA-N 316.308 5.080 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)c(Br)c2)CCC12CCC2 2047960154 XAAYBKTWEWOBFK-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE C=CCCCCNc1cc(C(F)(F)F)ccc1Br 2059120111 OYUGPOOXVDVLSJ-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE C=CC1(CN[C@H](C)c2ccccc2Br)CCCCC1 2132977393 MTNWGSFFHVJKMS-CQSZACIVSA-N 322.290 5.236 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1scc(Cl)c1Cl 2138984393 AVTLPOFFJUEPFS-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE CCc1ccc(N=C2N[C@H](c3cccs3)CS2)cc1Cl 2175636397 LMONSKMOCFBPBS-ZDUSSCGKSA-N 322.886 5.029 30 10 DKEE CCCCCCC[C@H](C)NCC(C(F)(F)F)C(F)(F)F 2183916067 HIUJVPXJVHHTRK-JTQLQIEISA-N 307.322 5.066 30 10 DKEE C#C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C1CCCCC1 2203804136 VSOWFNKCAZZSLV-SJKOYZFVSA-N 310.268 5.226 30 10 DKEE CCCCCCCCCOCc1csc(Br)c1 2216934283 ODZWRCWABRKLLG-UHFFFAOYSA-N 319.308 5.778 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(C)cc1Br 2227285658 UZNDXKPTNNUCBK-QGZVFWFLSA-N 324.306 5.674 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccc(Cl)c(Cl)c1 2231571600 FKYAXBJKFZACIY-GXTWGEPZSA-N 300.273 5.116 30 10 DKEE CCCC1(CCC)CC(C#N)(c2cc(Cl)ccc2Cl)C1 2234060307 YHOGHVXQEQVLOP-UHFFFAOYSA-N 310.268 6.135 30 10 DKEE C=CCCCCCCC[C@@H](N)c1csc(C(F)(F)F)c1 2235537721 DSLNEXIGFGUQAQ-CYBMUJFWSA-N 305.409 5.683 30 10 DKEE CCCCCCCCC[C@H](NN)c1c(Cl)cncc1Cl 2235984965 XJDMSCWADQQJBP-AWEZNQCLSA-N 318.292 5.034 30 10 DKEE C=CCCC[C@@H](C)NCc1ccc(Cl)c(C(F)(F)F)c1 2236307278 RBGDVTDWPVHHPA-LLVKDONJSA-N 305.771 5.193 30 10 DKEE CCCCCCC[C@H](C)NCCCC(F)(F)C(F)(F)F 2240475414 KNMGJKBISRRAIS-LBPRGKRZSA-N 303.359 5.303 30 10 DKEE C=C(C)CCCC[S@](=N)(=O)c1ccc(Cl)cc1Cl 2259176450 NPGCFSZZVPUICW-SFHVURJKSA-N 306.258 5.145 30 10 DKEE C=C(C)CCCCC(=O)c1c(F)cc(C)cc1Br 2259239349 NDBJNADRNYAONS-UHFFFAOYSA-N 313.210 5.216 30 10 DKEE C=C[C@@H](NCc1cc(Br)cc(C(C)C)c1)C1CCC1 2266000892 BGFDEIZLAOGCOH-QGZVFWFLSA-N 322.290 5.017 30 10 DKEE O[C@H](C#CC1CCCCC1)c1c(Cl)ccc(Cl)c1Cl 2274061771 IPKITCZWRWDYDR-CYBMUJFWSA-N 317.643 5.264 30 10 DKEE C=CCCCCC[C@H](NCC)c1cnc(C(C)(F)F)s1 2289282971 JEHVIVMSPIILJF-LBPRGKRZSA-N 302.434 5.042 30 10 DKEE N#C[C@@H](CSCC1(C(F)(F)F)CCC1)C1CCCCC1 2290348239 PWRRKEKFPOBAGR-ZDUSSCGKSA-N 305.409 5.172 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)cc1 2324332775 QPPBREDHOFJZBT-UHFFFAOYSA-N 320.432 5.381 30 10 DKEE C[C@@H]1CCCCC1=NOCC(=O)c1ccc(-c2ccccc2)cc1 2329917677 RSHGCPRPGZHSKA-MRXNPFEDSA-N 321.420 5.119 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cc(C)cc(Br)c1 2344381478 VEMTWGFUOAEGCA-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE Fc1ccc(C(F)F)c(COCCCCCCCS)c1 2363547193 BAGBOSOWBCXXCB-UHFFFAOYSA-N 306.393 5.160 30 10 DKEE CCCCCCC[C@@H](N)CCCCC(F)(F)C(F)(F)F 2368116425 LCEWVNXHQNNNTN-GFCCVEGCSA-N 303.359 5.432 30 10 DKEE CC(C)Sc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 83193114 GDFVALJNUDLOJI-LFYBBSHMSA-N 300.398 5.222 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)c1 83204234 XXUQNATVWJOYQJ-RMKNXTFCSA-N 321.203 5.288 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2c(Cl)cccc2Cl)CC1 91880791 RNJBLMVDSUNDEE-AWEZNQCLSA-N 312.240 5.137 30 10 DKEE CCCCCCCN[C@@H](C)[C@H](O)c1ccc(SC(C)C)cc1 95851516 AMMMRCOMMBKDSH-LPHOPBHVSA-N 323.546 5.169 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc(Cl)c1 108436169 PBEDVAHFRBGQJE-UHFFFAOYSA-N 309.881 6.199 30 10 DKEE CCCCCCCO[C@H](CNC1CC1)c1ccc(Cl)cc1 110067956 UVFJAKQREMJTBF-GOSISDBHSA-N 309.881 5.120 30 10 DKEE CCCCCCCCCCSc1ccc([C@@H](C)NC)cc1 112831273 VGVSZHHLZFZNAC-QGZVFWFLSA-N 307.547 6.200 30 10 DKEE CCCCCCCCCCCC[C@H](NN)[C@]1(C)CCCS1 122731168 SQHPLKZWLRVDSF-ROUUACIJSA-N 314.583 5.415 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccc(F)c(Cl)c1 126223823 ZLIJNMLHPHEBBP-QGZVFWFLSA-N 314.876 5.514 30 10 DKEE CCSc1cccc(NCC[C@@H]2CCC[C@@H](C)C2)c1C#N 136670355 FQAVKPPVCJRURT-CABCVRRESA-N 302.487 5.299 30 10 DKEE CCCCCCCCOc1ccc(/C=C/C(C)=O)cc1OC 137557920 IJLXKAGBSWVETN-ZHACJKMWSA-N 304.430 5.037 30 10 DKEE CCCCCCCCCNc1cc(Br)ccc1C#N 232951233 MSOCSQNMTKHNGO-UHFFFAOYSA-N 323.278 5.483 30 10 DKEE CCSc1cccc(NCC(CC)(CC)SC)c1C#N 233872716 BWPRCOGXTIIFBY-UHFFFAOYSA-N 308.516 5.004 30 10 DKEE CCCCCCCCCCNC[C@@H](C)COCc1ccccc1 389958538 YAPIWHYENOCQCG-HXUWFJFHSA-N 319.533 5.570 30 10 DKEE Cc1c(Cl)cc(Nc2c(F)cc(C#N)cc2F)cc1Cl 690253448 AUMHLPDQTGUHJI-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE N#CCc1cc(C(F)(F)F)c2scc(C(F)(F)F)c2c1 725324292 FGVCWIRXQCFYRT-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE C=CCN(C(=O)C1CCC(CCCC)CC1)[C@@H]1CCCC[C@@H]1C 1860025934 HYBUTOOKTBZACF-DCCYDQLOSA-N 319.533 5.576 30 10 DKEE C[C@@H](CC(C)(C)C#N)N(Cc1ccccc1)Cc1cccs1 1915378523 OOMQMSUXXXJYLF-INIZCTEOSA-N 312.482 5.079 30 10 DKEE C=CCCCCCCCCC[C@@](C)(N)COCc1ccccc1 1995324857 BXWLTVHQWBXOTH-OAQYLSRUSA-N 317.517 5.618 30 10 DKEE C=C(Br)CCN(CCCC)C1CCCCCC1 2020504625 PWNUUFCTEJUGIR-UHFFFAOYSA-N 302.300 5.110 30 10 DKEE C=C(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 2020533694 DTSVHZCTOBSLTI-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE CCCCCCCC[C@@H](NCCC)C(F)(F)Br 2026317251 UOUOVVJPLZNFGX-GFCCVEGCSA-N 314.258 5.093 30 10 DKEE CC(C)(C)OC(=O)NCCCCCCCCCCCCC#N 2060432766 VBALECXLHSBLSX-UHFFFAOYSA-N 310.482 5.326 30 10 DKEE C=CCC[C@@H](C)Oc1c(Cl)cc(Cl)cc1CNCCC 2158325798 ZELCCOSSCKYOLY-GFCCVEGCSA-N 316.272 5.227 30 10 DKEE C=C1CCC(CNc2c(C)cc(F)cc2Br)CC1 2223581085 MOCGMNFJDUXZRC-UHFFFAOYSA-N 312.226 5.055 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2225676514 ZITOVQSBVRSHHV-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCC1)c1cc(Cl)ccc1Cl 2234053655 LLWCOVZGMXYIOI-CQSZACIVSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCCN(C)[C@H](C)C(F)(F)C(F)(F)F 2235769782 XLAMEFSWUTVDLX-GFCCVEGCSA-N 301.343 5.031 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)c(C=O)s1 2239555233 UBNMIVOFUYEPOH-UHFFFAOYSA-N 317.882 5.519 30 10 DKEE CCCCCCCC[C@@](C)(O)c1c(Cl)ccc(F)c1F 2240622853 YRAPGMKWWVCHBG-MRXNPFEDSA-N 304.808 5.576 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@H](NC)c1csc(Cl)c1 2240638150 QQSKNCRYHUDKJY-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@H](N)c1c(F)ccc(OC)c1Cl 2286699481 OCGQHMQEXAIVPI-ZDUSSCGKSA-N 301.833 5.238 30 10 DKEE CCCCCCCCCC(=O)c1cnsc1Br 2300282240 JVLHETHZSNAFRN-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE CCC[C@]1(C)CSC(=Nc2cc(C3CC3)ccc2Cl)N1 2363451232 MDNVXSPBPAYWSX-MRXNPFEDSA-N 308.878 5.100 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 2364088960 IMVPCQGQFAFSQD-CQSZACIVSA-N 303.755 5.127 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1C 2364399791 SLDRZZAFIPEOBO-INIZCTEOSA-N 316.316 6.313 30 10 DKEE C=C1CCC(C[C@H](NC)c2c(Cl)cc(F)cc2Cl)CC1 2366411199 OTTLYOAFCARFSQ-HNNXBMFYSA-N 316.247 5.530 30 10 DKEE CC[C@@H]1CC=C(C(=O)CCc2cc(Cl)cc(Cl)c2)CC1 2366864355 XMQCZSAJVSYCGW-GFCCVEGCSA-N 311.252 5.632 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(Cl)cc(F)c1Cl 2370521841 LZWOGASJWUXHJB-HOTGVXAUSA-N 318.263 5.776 30 10 DKEE Cc1ccc(-c2csc(/C=C\c3ccc(C#N)cc3)n2)cc1 35132361 GTWATHVFLDDAEI-FLIBITNWSA-N 302.402 5.161 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2cc(C)ccc2SC)c1 83193153 GNVADWJUSFNZHF-MDZDMXLPSA-N 312.434 5.012 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2ccc(Cl)cc2Cl)CC1 91880769 FSPDWFPIYNASTN-AJQRCPHMSA-N 312.240 5.137 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(Cl)ccc1Cl 110216785 XXNFZAULLNONFO-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@H](O)c1cccc(Cl)c1Cl 114874098 LWAMKCQIEGKODH-HNNXBMFYSA-N 303.273 6.168 30 10 DKEE CCCCCCCCOc1ccc(/C=C\C(=O)O)cc1Cl 214960172 QIWUXRRTPLQAJB-LUAWRHEFSA-N 310.821 5.177 30 10 DKEE Fc1ccc(C=Nc2cncc3c2ccc2ccccc23)cc1 254486377 WHHZAVSEDSPMHM-UHFFFAOYSA-N 300.336 5.278 30 10 DKEE Cc1scc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1C 399780359 UBXMXJHWCHUWHD-LLVKDONJSA-N 324.232 5.162 30 10 DKEE C=CCCCCCC(=O)c1ccccc1NC(=O)OC(C)(C)C 405629600 SFCFBEIACGRFNO-UHFFFAOYSA-N 317.429 5.353 30 10 DKEE C=C1C[C@H]2CC(Nc3c(Cl)cc(F)cc3Cl)C[C@@H](C1)C2 697335016 YSHCFNKCGBYTEH-QYJAPNMZSA-N 314.231 5.679 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C#N)(CCC(C)C)C1CC1 698382334 XVBMEPYIUQDWNY-HNAYVOBHSA-N 322.493 5.131 30 10 DKEE Cc1cccc(Br)c1Nc1ccc(C#N)cc1Cl 709837732 WGYJQHVBZIZQAU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CC[C@@H](C)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 715753070 BGJRPVMGWYUQJW-LLVKDONJSA-N 323.820 5.082 30 10 DKEE CCCCCCCCCNCCc1ccc(Cl)c(Cl)c1 716248151 QNYWIRNKMSULQU-UHFFFAOYSA-N 316.316 5.876 30 10 DKEE Cc1cccc(C)c1C#Cc1cc(Br)ccc1Cl 1614826635 HVRYJENFXGIHIN-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2cc(C)ccc2C)cc1 1874618121 LBRCARWPLFFDTN-FMIVXFBMSA-N 306.405 5.154 30 10 DKEE CCCCCCCCC[C@H](O)c1c(F)ccc(Cl)c1F 1925530044 DAHIQNXPXXIOJG-AWEZNQCLSA-N 304.808 5.792 30 10 DKEE CC(C)(C)[C@@H](CS)CN(Cc1ccccc1)CC1CCCC1 1931882228 QRKLFLKUPQXDHX-LJQANCHMSA-N 319.558 5.271 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H]1C[C@@H](CCC)CC[C@H]1C#N 1986882834 LFDALOCRFAMIRQ-SESVDKBCSA-N 310.485 5.173 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@@H]1CC12CCC(F)(F)CC2 1986889538 KEHFDSMBAYMSJT-SFHVURJKSA-N 319.439 5.280 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(C)cc1CNCCC 2013174799 YDHBEIAWJBIKLJ-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE CCOc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)F 2060221098 LGFFDSPVMYKOFC-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(SC)s1 2093173320 BDFSJVFYRGMGSE-CQSZACIVSA-N 300.533 6.034 30 10 DKEE C=C([C@@H](NC)c1cc2cccc(Br)c2o1)C(C)(C)C 2096634779 WQRWGUDGUVTTRL-CQSZACIVSA-N 322.246 5.058 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(Cl)c(Cl)s1 2098756078 HPKIVMQTRPDYQV-ZDUSSCGKSA-N 323.329 6.619 30 10 DKEE Cc1ccc(C[C@]2(C=O)CCCC(C)(C)C2)cc1Br 2112205951 HBQYRJCZNSLJOP-QGZVFWFLSA-N 323.274 5.086 30 10 DKEE C=C(CNc1cc(C)c(Br)cc1C)c1ccccc1 2138912589 PYIKIBWVGMMLPJ-UHFFFAOYSA-N 316.242 5.191 30 10 DKEE C=CCCCCCC[C@H](NCCC)c1nc(Cl)cs1 2141908319 MROPPZATGCVSCD-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](SC2CCC(F)(F)CC2)C1 2144851218 ACDSHVHMDLYZQC-VNHYZAJKSA-N 301.446 5.406 30 10 DKEE C[C@@](O)(CC#CC1CCCCC1)c1c(Cl)cccc1Cl 2149858055 OLJAYUFBBGIUBH-QGZVFWFLSA-N 311.252 5.175 30 10 DKEE C[C@H]1C[C@@](C#N)(CC2CCC(C(F)(F)F)CC2)CCS1 2159721287 VBQFAFPASXNTMO-GFJIZPEISA-N 305.409 5.171 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CCCCSC 2172990504 GPEWBSQGXCWIRD-GOSISDBHSA-N 301.584 6.158 30 10 DKEE CCCCCCCC[C@H](NCC)c1csc(C(F)F)n1 2188705748 CGJMUVCRVBCSDS-LBPRGKRZSA-N 304.450 5.482 30 10 DKEE CCCCCCCCCCN1CCC[C@@H](P(C)(C)=O)C1 2195681687 IYUZQHKHXQYTAO-QGZVFWFLSA-N 301.455 5.214 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(Br)cc1C 2221727105 LEBMCEJBVQAUFY-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE CCCCCCCCCOc1cc(C)cc(Br)n1 2223206122 VLGPJLYLFYLHNN-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE Cc1cc(Cl)cc(Oc2ccc(C#N)cc2Br)c1 2223403332 MOSVPORCQVMDMT-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(C)cc1Br 2227280413 NINSAVXGUAKZAM-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1csc(C(F)F)n1 2235520763 CKQZAPFIBMMMFF-GFCCVEGCSA-N 302.434 5.258 30 10 DKEE CCc1ccsc1C(=O)[C@H](C#N)c1cccc(Cl)c1Cl 2235756808 MFSOHAMDKVEZCG-LLVKDONJSA-N 324.232 5.107 30 10 DKEE N#C[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CCC2(CCCC2)C1 2235756970 NHEUYOZYVHOJNU-TZMCWYRMSA-N 308.252 5.961 30 10 DKEE CCCC(CCC)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235757865 OJXVWUMOVRHGIH-ZDUSSCGKSA-N 312.240 5.386 30 10 DKEE C=C(C)CC[C@H](NCC)c1scc(Br)c1Cl 2242656407 MYJQXXSZCKEMLW-JTQLQIEISA-N 322.699 5.171 30 10 DKEE CC(C)CC[C@H](C)[C@H](C#N)c1ccc(Br)c(F)c1 2259001211 OBLBCBXFWAOGFA-AAEUAGOBSA-N 312.226 5.268 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265968191 YPPAWEIQEHLPJL-QGZVFWFLSA-N 324.306 5.579 30 10 DKEE C=C([C@@H](NCC)c1cc(Cl)c(Cl)cc1C)[Si](C)(C)C 2271009850 MOVXXHUTZSAZHU-OAHLLOKOSA-N 316.348 5.386 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1cc(Cl)cs1 2274440970 MVCDHJYSCXZUFC-OAHLLOKOSA-N 301.927 6.322 30 10 DKEE C=CCCCCCCCSc1cc(C)sc1CNCC 2287075119 BDLAKRONLONHGK-UHFFFAOYSA-N 311.560 5.785 30 10 DKEE CCCCCCCCC[C@H](C)N[C@H](C)CSC(C)(C)C 2295691337 KQUYWHDWLGLVPF-DLBZAZTESA-N 301.584 6.025 30 10 DKEE CCCCOc1ccc(C(=O)C=CNc2cc(C)ccc2C)cc1 2296876092 VSDADKFRVLRBTE-UHFFFAOYSA-N 323.436 5.291 30 10 DKEE C[C@@]1(CC#N)CC[C@@H](c2c(Cl)ccc(Cl)c2Cl)O1 2317106338 WGZPCZCTBDFCJY-GWCFXTLKSA-N 304.604 5.171 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1c(Cl)ccc(Cl)c1F 2344340524 SEYMDRCKYCWVKM-HUUCEWRRSA-N 304.236 5.385 30 10 DKEE OCCCCCCCC#Cc1cc(Cl)c(C(F)F)s1 2353031760 OOVPPOSAVVRSHP-UHFFFAOYSA-N 306.805 5.024 30 10 DKEE CCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)c(Cl)cc1C 2365088340 VGVRROWGFCZNJZ-WBMJQRKESA-N 310.268 5.002 30 10 DKEE CCCCCCCCNCCCc1cc(Cl)cc(Cl)c1 2366881798 RCKCCEHGGGYOIY-UHFFFAOYSA-N 316.316 5.876 30 10 DKEE C[C@H]1CCCC[C@]1(C#N)CCCc1cc(Cl)cc(Cl)c1 2366910782 UDGJUPPILRIAQP-SUMWQHHRSA-N 310.268 6.036 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1ccc(Cl)cc1C(F)(F)F 2370536103 UVQAUASPJARBLP-AWEZNQCLSA-N 304.739 5.534 30 10 DKEE CC(C)(C)c1cc(-c2ccc(C#N)cc2)cc(C(C)(C)C)[s+]1 48524281 BAETTZLROCCXCH-UHFFFAOYSA-N 310.486 6.163 30 10 DKEE CCCCCCCCNc1ccc(OC(F)F)c(Cl)c1 59090566 YXYNNLMYTOMIMW-UHFFFAOYSA-N 305.796 5.714 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Nc2cccc(Br)c2)CC1 86914175 GRNNNKSAMQTVAH-CZUORRHYSA-N 321.262 5.114 30 10 DKEE SC[C@@H](COc1ccc(Cl)c(Cl)c1)c1ccccc1 94585469 GQBDXYSNUDYEPU-GFCCVEGCSA-N 313.249 5.086 30 10 DKEE SCC1(CSc2cc(Cl)ccc2Cl)CCCCC1 94588780 LAIBXDGFYYUWGN-UHFFFAOYSA-N 321.338 5.966 30 10 DKEE CCSc1nc(-c2ccco2)cc(-c2cccs2)c1C#N 96887897 HEYMSVMCCOTWAW-UHFFFAOYSA-N 312.419 5.054 30 10 DKEE CCCCCCCCNc1ccccc1OCc1ccccc1 100037498 DWIPEMLYDIYCGA-UHFFFAOYSA-N 311.469 6.038 30 10 DKEE CCCCCCCSc1nc(Cl)c2ccsc2n1 105473989 GDPUWYVZNRVVGM-UHFFFAOYSA-N 300.880 5.407 30 10 DKEE N#Cc1ccc(Br)cc1Oc1cccc2ccccc12 123463481 AGJGNRYUSYUFIU-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE Cc1cc(Cl)c(Nc2cccc(Cl)c2C#N)cc1Cl 128271469 WQIMPYURZIYSFW-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCCC[C@H](O)Cc1nc(C(C)(C)C)cs1 132235282 HFPAXYDFUPAOCK-HNNXBMFYSA-N 311.535 5.485 30 10 DKEE CCCCCCCCCC(=O)[C@H]1SCCS[C@H]1CC 135693023 IBQWVTRLFSDSNR-JKSUJKDBSA-N 302.549 5.323 30 10 DKEE CCCCCCCOc1c(Cl)cccc1CNCC(C)C 165565974 OZYUEZVEJMZRQG-UHFFFAOYSA-N 311.897 5.435 30 10 DKEE Cc1ccc(Cl)cc1Nc1ccc(C#N)cc1Br 213349121 PJYQIFCNHXGCNL-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccc(Sc2ccc(C#N)c(Br)c2)cc1C 228253150 QUMSUGMQBZZJCN-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(Cl)cc(Br)c1 233614511 IMRKZDMIDHFBPK-CQSZACIVSA-N 316.670 5.109 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 250500681 GHRFCSRKFMQJFB-RFWXGWTQSA-N 322.411 5.538 30 10 DKEE C(/C=C/c1ccccc1)=Nc1ccccc1-c1nc2ccccc2[nH]1 254398359 NPMDEOOWCOJMPR-NDFXXKICSA-N 323.399 5.646 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1cc2cscc2s1 693958190 RQKPSLFLNFULOY-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccccc1F 698901106 IVUOARPRFFMNJE-SFHVURJKSA-N 320.408 5.040 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1c(Cl)cccc1C(F)(F)F 712539428 ULUXGYKSXOQREA-LLVKDONJSA-N 312.162 5.152 30 10 DKEE CCCCCCC[C@@H](O)c1c(C)ccc(Br)c1F 721716911 HORABJXLBCOPSP-CYBMUJFWSA-N 317.242 5.291 30 10 DKEE CCCN1/C(=N/c2ccc(C)cc2)S[CH][C@H]1c1ccccc1 1614593311 YJQVEARGDKYYNH-ONNQFXDFSA-N 309.458 5.344 30 10 DKEE C/C(=N\OCc1cccc2ccccc12)c1ccc2c(c1)CCC2 1857937646 CTXCDMLVUBTSQZ-XQNSMLJCSA-N 315.416 5.269 30 10 DKEE CCCCCCCCCCNC(=O)c1nccc2ccccc12 1865944038 IJPPOHYNIKXXAL-UHFFFAOYSA-N 312.457 5.105 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)c1cccc(C#N)c1 1915370582 WEOFQASWSOWDOB-INIZCTEOSA-N 318.445 5.388 30 10 DKEE N#CC1([C@@H](O)c2c(Cl)ccc(Cl)c2Cl)CCCCC1 1921100251 VACCPEDCFKNKCI-ZDUSSCGKSA-N 318.631 5.154 30 10 DKEE C=CCNCC(=C)c1c(Cl)cc(Cl)c(Cl)c1Cl 1943962000 ZJQYBYCJIWOGBR-UHFFFAOYSA-N 311.039 5.089 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(Br)s1 2009492807 BBNNKCJPWQXPSK-LBPRGKRZSA-N 316.308 5.298 30 10 DKEE C=CCCCCCCNc1ccc(Br)cc1F 2026014315 HNJSUHWITUXLPU-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)c(Cl)s1 2037471397 VVXMMVYQVQIDGS-LBPRGKRZSA-N 308.318 6.195 30 10 DKEE FC(F)c1cc(C(F)(F)F)c(Cl)cc1OC(F)(F)F 2054946734 RVNXLCFOKPINQJ-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=C([C@H](NCCC)c1ccc(C)cc1Br)C(C)(C)C 2096621006 KKIWWNRVIRUATD-INIZCTEOSA-N 324.306 5.401 30 10 DKEE C=CC1(C[C@H](NCCC)c2cc(Cl)sc2Cl)CCC1 2111710387 FHSAACOTKAVPRI-LBPRGKRZSA-N 318.313 5.842 30 10 DKEE CCC[C@H](N=C1N[C@@H](c2cccs2)CS1)c1cccs1 2175635464 BLNAYVUFJJTLFL-NWDGAFQWSA-N 322.524 5.085 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)Cc2ccc(Cl)cc2Cl)CC1 2181668347 KKMPCHSZKUBONA-GFCCVEGCSA-N 311.252 5.488 30 10 DKEE CO[C@@H]1CCC[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 2182783860 MFLHKEYVAVDQCV-CVEARBPZSA-N 312.240 5.025 30 10 DKEE CCCC#CC[C@H](NCCC)c1csc(C(F)(F)F)c1 2203793383 UOUHMXOGIWVNIK-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCCCNCC(F)(F)C(F)(F)F 2207424373 DQQSTKZKWYVOQU-UHFFFAOYSA-N 301.343 5.080 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccsc1Br 2214614895 GCALMCBOWRKISN-ZDUSSCGKSA-N 317.292 5.461 30 10 DKEE CCCCCCCCCO[C@H](c1ccc(Cl)s1)[C@@H](C)N 2239487644 SAENHKDTQUXBIY-CJNGLKHVSA-N 317.926 5.557 30 10 DKEE CCCCCCSCc1ccc(Br)cc1C#N 2253018548 ZVHGTJLLQTZYAM-UHFFFAOYSA-N 312.276 5.134 30 10 DKEE C=C(C)CCCCC(=O)c1cc(C)c(Br)c(C)c1 2259160593 CERNSBQVSFXLGH-UHFFFAOYSA-N 309.247 5.385 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc2c(s1)CCSC2 2287413825 LQMWQNOVDQYGNP-OAHLLOKOSA-N 309.544 5.325 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccccc2Oc2ccccc2)o1 2297367215 OWCDTEWDJUZNBE-UHFFFAOYSA-N 319.360 5.189 30 10 DKEE CCCCCCCCCCOc1c(C=NO)cccc1OC 2297707635 KCMFWMOKMXDNCO-UHFFFAOYSA-N 307.434 5.023 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1sccc1Br 2304025709 VIYPCEUYLPTMQK-UONOGXRCSA-N 316.308 5.154 30 10 DKEE CC(C)CC(CC(C)C)Oc1ccc(Br)cc1C#N 2335228337 SPNHMDOICPRBIS-UHFFFAOYSA-N 324.262 5.160 30 10 DKEE C=CCC(CC=C)S[C@@H](c1ccccc1Cl)[C@@H](N)CC 2360198142 CWQXAZIUPGNCNJ-IRXDYDNUSA-N 309.906 5.372 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](CC)c1ccc(Cl)cc1Cl 2362234208 FVVVIGJAFLFBAL-OAUYIBNBSA-N 312.284 5.779 30 10 DKEE C#Cc1ccccc1N[C@H](CC)c1ccc(Cl)cc1Cl 2365449746 FRQSKJOMNIWKSQ-MRXNPFEDSA-N 304.220 5.538 30 10 DKEE C=CCCC(C)(C)CNCc1cc(Cl)c(OC)c(Cl)c1 2365499595 WKXASZANBOVHDS-UHFFFAOYSA-N 316.272 5.084 30 10 DKEE C=CC/C=C/C/C=C/CCCCCCCc1cccc(O)c1O 5157594 RUWDFSXBACIZCV-AOSYACOCSA-N 314.469 6.060 30 10 DKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2cccc(OC(C)C)c2)c1C 83193761 PMBQOUACGFMTGH-ZHACJKMWSA-N 322.448 5.604 30 10 DKEE CCCCCCC[C@H](Cc1c(Cl)cccc1Cl)NCC 109733424 RKKWKIPHODVUKL-CQSZACIVSA-N 316.316 5.875 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1ccc(Cl)s1 115856428 HPGHBFUEFQAPHS-HNNXBMFYSA-N 315.954 6.583 30 10 DKEE CCCCCCCCCCNC[C@H](O)c1ccccc1Cl 129357947 CWUCPWWVWDMCSL-SFHVURJKSA-N 311.897 5.104 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(Br)c(Cl)c1Cl 235417992 WJUDNQSPFSFYQJ-MRVPVSSYSA-N 323.061 5.523 30 10 DKEE CC[C@H](C[C@@H]1O[C@@H]1C)c1ccc(OCc2ccccc2)cc1C 251094850 PQSHHHWWCMIZBG-BLIXFSHQSA-N 310.437 5.245 30 10 DKEE CCCCCCCCCCCCOc1ccc(C(C)=NO)cc1 254523585 SRQMHNUOUWZCHV-UHFFFAOYSA-N 319.489 6.185 30 10 DKEE C=CC[C@@H](CC)n1c(S)nc2cc(Cl)c(Cl)cc21 393781693 BGASANGYAYVVRV-MRVPVSSYSA-N 301.242 5.159 30 10 DKEE N#C[C@@H](CSc1nc2ccccc2s1)C1CCCCC1 397206533 SUUXFXWVOCOVSY-ZDUSSCGKSA-N 302.468 5.108 30 10 DKEE CCCCCCC[C@H](NCC)c1oc(C)cc1Br 706261070 PXTIVTLXYOKOJR-AWEZNQCLSA-N 316.283 5.362 30 10 DKEE SC[C@@H](CN(Cc1ccccc1)C1CCCCC1)C1CCC1 1932028934 MDFFDCHJBGVAHT-LJQANCHMSA-N 317.542 5.167 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Br)c(Cl)s1 1978560015 IPMFFSROTNYVLC-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@]1(C#N)CCCCC12CCC2 1981841735 UXELHPMXGOVEKM-NQIIRXRSSA-N 311.469 5.484 30 10 DKEE C=CCCCC[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1984554558 QAZRONRRXYNXTK-OAQYLSRUSA-N 310.437 5.220 30 10 DKEE O[C@@H](CC#CC1CCCCC1)c1cc(Cl)sc1Cl 2032501606 RTPKMJXSZWQNMV-LBPRGKRZSA-N 303.254 5.062 30 10 DKEE Cc1nn([C@@H](c2ccc(C(C)C)cc2)C(C)C)c(Cl)c1C#N 2079876769 OGQJOFYOYDZDDM-QGZVFWFLSA-N 315.848 5.085 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1 2141912835 CAOKFQBGKFZHPS-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE C=CCCCCCC[C@@](C)(O)c1ccc(Cl)cc1Cl 2141915736 DQXQKKBVIIQSRR-MRXNPFEDSA-N 301.257 5.728 30 10 DKEE CC#CCCCC(=O)c1ccc(-c2ccccc2Cl)s1 2194072216 LPUYJBVDMLGRGQ-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE C=C1CCC(C[C@](C)(N)c2ccc(C(F)(F)F)s2)CC1 2196590859 CVTURAVAOLLQTI-AWEZNQCLSA-N 303.393 5.077 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1ccc(-c2cccs2)s1 2205936340 CKJVOROTENQQQL-KBPBESRZSA-N 305.512 5.730 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2220125437 VIBHHEBWCMMRSW-ZDUSSCGKSA-N 306.664 5.654 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccc(Br)nc1 2223867872 LHVVSJGBANGQOV-ZDUSSCGKSA-N 313.283 5.395 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1cccc(Br)c1 2227286177 HHDWDOWNIHUUSL-QGZVFWFLSA-N 324.306 5.236 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(C(F)(F)F)cs1 2235519295 OKHSJWOFZJNWRI-ZDUSSCGKSA-N 306.393 5.717 30 10 DKEE C=CCCCCCCC[C@H](O)Cc1cccc(Cl)c1Cl 2235749679 MNGFFKWYRXHFDK-HNNXBMFYSA-N 315.284 5.814 30 10 DKEE CCCCCCCCC(=O)CCCC(F)(F)C(F)(F)F 2240427069 OZOXQFUPZYYSRZ-UHFFFAOYSA-N 302.327 5.674 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(Br)ccc1Cl 2250182325 YMSXCCILIVIDPD-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE C=C(C)CCCC[C@H](N)c1c(F)cc(C)cc1Br 2259196476 KEFYCVXIYGTTDV-AWEZNQCLSA-N 314.242 5.033 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(N)c1ccc(Cl)cc1Cl 2284106797 JZWOTSLOOUVGKY-KRWDZBQOSA-N 310.268 5.163 30 10 DKEE CCCN[C@@H](CC#CC1CCCC1)c1ccc(SC)s1 2289898720 HMDGHDARCSWVFZ-HNNXBMFYSA-N 307.528 5.094 30 10 DKEE Fc1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1 2297456627 HLGOXGBDTNWXIK-UHFFFAOYSA-N 323.396 5.060 30 10 DKEE CCC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(CC)cc1 2330249280 RNYXDTLTACIIHO-UHFFFAOYSA-N 323.480 5.877 30 10 DKEE CCC(=NOCc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 2330263226 RJIBJZCGEWGSSO-UHFFFAOYSA-N 309.453 5.623 30 10 DKEE Cc1c(Cl)ccc(Nc2ccc(Cl)cc2C#N)c1Cl 2340140287 HIEXOCXPLSINMS-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=C(C)C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2341120285 DOPDVNJRIVQLKP-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cccc(Cl)c1C(F)(F)F 2367671725 JNCRBWLWJPHQDU-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE CC(C)(C)CC(C)(C)c1ccc(OCc2ccc(C#N)cc2)cc1 11834300 RPGOPIAQQNVWEV-UHFFFAOYSA-N 321.464 5.851 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)c(F)c2)C1 37156538 YSLNHWKECJNPSO-HWWQOWPSSA-N 309.425 5.411 30 10 DKEE CCC(CC)(CS)CSc1ccc(Br)cc1 87096697 LWHUSMSVUFADLT-UHFFFAOYSA-N 319.333 5.277 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OCC[C@@H](C)CCS 94584397 WMYPBQOCTCEMOP-GFCCVEGCSA-N 300.895 5.497 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1c(Cl)cccc1C(F)(F)F 110159708 DZXSGIFPTBZMEJ-ZWNOBZJWSA-N 316.754 5.243 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 110323674 YWFGHMXJAUTPTK-YPMHNXCESA-N 312.240 5.386 30 10 DKEE Cc1cccc(CSc2ccc(C(F)(F)F)cc2C#N)c1 110354477 ITNMWXDJPYLTNQ-UHFFFAOYSA-N 307.340 5.178 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Cl)cc1Br 123265136 AVNWWRGPNYYAMK-AWEZNQCLSA-N 319.670 5.496 30 10 DKEE CCCCCCCC(=O)CC(=O)c1cc2ccccc2s1 126748803 WNDSKKMMNWOSRL-UHFFFAOYSA-N 302.439 5.404 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1ccc(Cl)cc1 131209424 KCJAKDOYUPVLLX-SFHVURJKSA-N 310.913 5.765 30 10 DKEE CCCCCCCCCCC[C@H](O)c1c(Cl)cnn1CC 158802532 NHNLOYYIIHDWMD-INIZCTEOSA-N 314.901 5.511 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1sccc1CC 162336539 CWRFAYRELALTIG-SFHVURJKSA-N 309.563 6.492 30 10 DKEE CCCCCCCn1cc(CNCC)c2ccc(Cl)cc21 164029127 QEWAJATTWIWASI-UHFFFAOYSA-N 306.881 5.375 30 10 DKEE C=C(C)CCNc1ccc(Br)c(Cl)c1Cl 232558100 PHYBHQVKRIWDKZ-UHFFFAOYSA-N 309.034 5.134 30 10 DKEE C=CCCCCC[C@H](O)c1ccccc1OCc1ccccc1 309948868 FECJTGCJVMNGNT-FQEVSTJZSA-N 310.437 5.436 30 10 DKEE C=CCCCCCCN[C@H](C)c1sccc1Br 310315982 SCAFTTVQSNQXKZ-GFCCVEGCSA-N 316.308 5.298 30 10 DKEE C=CCCCCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 310941809 WKWHPLOGUDDTNW-SNVBAGLBSA-N 306.664 5.654 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(C#N)c(Br)c1 382337418 ZOJMUUGQDAKWST-ZDUSSCGKSA-N 323.278 5.482 30 10 DKEE C=CCCC[C@@H](C)Nc1nc(Cl)nc2sc(CC)cc12 398274595 IWHSROUEBVONIY-SNVBAGLBSA-N 309.866 5.064 30 10 DKEE C[C@H](CC1CCCCC1)Nc1cccc(Br)c1C#N 694690591 LJIWJEBTQMHLCW-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1csc(C(F)(F)F)c1 703314620 ZRIWUXWQGDOZBA-NSHDSACASA-N 316.735 5.097 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cccc(Cl)c1Cl 704005606 LLBSIBJYUYUDQS-LBPRGKRZSA-N 300.273 5.636 30 10 DKEE CSc1c(C#N)c(SC(F)(F)F)cc2sccc12 725292077 LLSUNQNAUSYOFU-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE C=CCSc1nc2ccc(N=Cc3ccc(C)cc3)cc2s1 1084267603 RLTARJIRMBRGSY-UHFFFAOYSA-N 324.474 5.633 30 10 DKEE CCCCCCCCN(C)Cc1nc(Cl)ccc1Cl 1887057530 QVOWHZPOSVNIIY-UHFFFAOYSA-N 303.277 5.181 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)C2CCCC2)C1 1946859074 PWGFYENAGHALTP-SYYKKAFVSA-N 324.512 5.540 30 10 DKEE CCCCCCC[C@H](NC)c1scc(C)c1Br 1950854576 CAOMQUILPVQERX-LBPRGKRZSA-N 318.324 5.440 30 10 DKEE CCCC1(C[C@]2(C#N)CCCCN2C(=O)OC(C)(C)C)CCC1 1988428472 UBHHLAHPRIHTSZ-IBGZPJMESA-N 320.477 5.030 30 10 DKEE C=C1CC(C[C@@H](NCC)c2ccc(OCc3ccccc3)cc2)C1 2011091930 RHZFDQPNYJZGLI-JOCHJYFZSA-N 321.464 5.273 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1cc(Cl)sc1Cl 2074843351 LHYQUCHUMQTJOV-CQSZACIVSA-N 306.302 5.178 30 10 DKEE CCCCCCCCCOc1ccc(Cl)c(N)c1Cl 2098381989 SLFRLJOFJFINEW-UHFFFAOYSA-N 304.261 5.705 30 10 DKEE CCCCCCCCCCNCc1c(Cl)cncc1Cl 2149793322 WQHPULKFVVDDHQ-UHFFFAOYSA-N 317.304 5.619 30 10 DKEE N#C[C@H](Sc1cccc(Cl)c1)[C@@H]1CCC2(CCCC2)C1 2155223529 NOIXAUTXYQYVGR-CJNGLKHVSA-N 305.874 5.685 30 10 DKEE C=C([C@H](NCCC)c1c(F)ccc(F)c1Cl)C(C)(C)C 2164221304 GCHSZGDABMXFLH-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2cc3sccc3s2)CC1 2205529789 PPZCUTMUILTJFO-AWEZNQCLSA-N 305.468 5.106 30 10 DKEE CCCCCCCC(=O)c1sc(Br)c(C)c1C 2213676763 IXRNNAVCKAJRIS-UHFFFAOYSA-N 317.292 5.671 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl 2232422733 DOVVWSXFZKBWQL-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(F)c(F)cc1Cl 2235532183 HRTFOVYGQMNYKQ-MRXNPFEDSA-N 302.792 5.568 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(Br)c(Cl)c1 2250143272 WNLMFAUVYGQAHN-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE C=CCCCCCCCNCc1ccc(C)c(Br)c1 2278683021 JEBKFKCWCMDVSR-UHFFFAOYSA-N 324.306 5.374 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1ccc(C)cc1 2295562508 KMRDKVIOOAAYNQ-UHFFFAOYSA-N 302.373 5.053 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cscc1C(F)F 2295586783 BCMXOZYBMNPFJG-MRXNPFEDSA-N 304.446 6.034 30 10 DKEE C=CCCCCCCCC(=O)c1nc(C(F)(F)F)cs1 2296066042 FCDVEXHMMXUEFG-UHFFFAOYSA-N 305.365 5.261 30 10 DKEE C=CC[C@@H](C)S[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 2313694353 DXGDHQAIZSMHFD-ZJUUUORDSA-N 303.254 5.262 30 10 DKEE CCCCCCCCCNc1cc(O)ccc1Br 2321007474 NDKCFFIITSOJNE-UHFFFAOYSA-N 314.267 5.317 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(C)c(C)c1 2330246274 DQZNDOBIMFYLLR-UHFFFAOYSA-N 301.817 5.288 30 10 DKEE CC[C@@H]1CC[C@](C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2366848000 HRNKTQFYNJZUBK-CXAGYDPISA-N 313.268 5.712 30 10 DKEE C=CCCCCCC[C@H](NCC)c1ncc(C(F)F)s1 2369604392 KVHHYHMBJKTCKV-LBPRGKRZSA-N 302.434 5.258 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377312134 CBNZUVPPFWWCQX-INIZCTEOSA-N 318.263 5.920 30 10 DKEE C=CCP1(=O)O[C@@H](c2ccccc2)C[C@H](c2ccccc2)O1 5157872 LSELVNDFXRDUHX-QZTJIDSGSA-N 314.321 5.285 30 10 DKEE CC(C)c1ccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@H]32)cc1 20697759 ZVYGFJIJGLOJOI-SBHAEUEKSA-N 314.432 5.508 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1ccc(Cl)cc1Cl 36954299 IIHBLEPPZRZWNH-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCC1)c1ccc(Cl)cc1Cl 37346209 HBYIRGYOLGFLBK-CQSZACIVSA-N 310.224 5.140 30 10 DKEE CSc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 83192790 IRARDXGNWOPGEE-YCRREMRBSA-N 323.244 5.611 30 10 DKEE CCCC1CCC(C#N)(Cc2cccc(Br)c2)CC1 87959704 OTCGHKNXIMTVJJ-UHFFFAOYSA-N 320.274 5.492 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2c(Cl)cccc2Cl)C1 91880778 SPEPAHAMMBPUDI-HFBAOOFYSA-N 312.240 5.137 30 10 DKEE CCCCCCCCNCc1cn(C(C)C)c2ccccc12 103577709 SZCFQRQDPGHWFZ-UHFFFAOYSA-N 300.490 5.672 30 10 DKEE CCCCCCCCCCCC[C@H](Cc1cccs1)NC 109740489 QRTAWZARLGNQEX-GOSISDBHSA-N 309.563 6.190 30 10 DKEE C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(Cl)cc1C#N 110258427 JRUSFHHIXQEMRA-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCCc1ccc(I)cc1 113259766 FKZUJUAMRZCCRX-UHFFFAOYSA-N 316.226 5.194 30 10 DKEE CCCCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NN 125884053 YQUJENWLZDPMLL-ZDUSSCGKSA-N 317.304 5.118 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc2ccccc2s1 157967920 RGYQMACBPJQASF-KRWDZBQOSA-N 303.515 6.303 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(C)cc(Br)c1 159023200 SPIYYBMFRSTLGU-MRXNPFEDSA-N 312.295 5.508 30 10 DKEE C=C(C)CC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 164516322 UWNGILMOBCKULG-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Cl)cc1Br 232961149 SPOPXPUUSLTNQB-AWEZNQCLSA-N 318.686 5.463 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(Cl)c(Cl)c1 307873369 DRNIOGCFPSXEFM-MRXNPFEDSA-N 303.273 5.952 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)C2CC2)C1 384352605 CJRXGERYZGRVBI-ZVDOUQERSA-N 324.512 5.396 30 10 DKEE C=CCCCCCCN[C@@H](C)c1ccccc1Br 385090131 ZJONFFZQWITCSN-AWEZNQCLSA-N 310.279 5.236 30 10 DKEE COc1cccc(C=Nc2cc(Cl)c(Cl)cc2Cl)c1 1084470087 LEGZRLXYZNJIHO-UHFFFAOYSA-N 314.599 5.406 30 10 DKEE C/C(=N\OCc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 1857935679 UVXAZVJTYOCDCE-KGENOOAVSA-N 315.844 5.578 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1cccc(OCc2ccccc2)c1 1903201411 NAGFSDXHWMPWER-RTWAWAEBSA-N 310.437 5.291 30 10 DKEE CCCCCCCCC[C@@]1(O)C[C@H](C)Sc2sccc21 1919903156 KNVFYGPMBUAESO-WMLDXEAASA-N 312.544 5.961 30 10 DKEE C=CCC[C@@H](C)Nc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1 1925132061 UHWIVUXKMSCKEU-HUUCEWRRSA-N 318.461 5.039 30 10 DKEE CC(C)(C)[C@H]1CCc2sc([C@@H](C#N)C(F)(F)F)cc2C1 1952641697 DNIMBDJUOBEXBI-WDEREUQCSA-N 301.377 5.069 30 10 DKEE C=CCCCCCC[C@H](N)c1cccc(F)c1Br 2085855701 DIQLMMGMSIIJRS-AWEZNQCLSA-N 314.242 5.115 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cccc(C)c1Br 2102111407 MJZQUYUYGPDMNN-WMLDXEAASA-N 324.306 5.401 30 10 DKEE C=C([C@@H](NCCC)c1cc2sc(C)cc2s1)C(F)(F)F 2156532570 AYXZNGCMWATASH-CYBMUJFWSA-N 319.417 5.430 30 10 DKEE CCC[C@H](N=C1N[C@H](c2ccsc2)CS1)c1cccs1 2175634530 QYWDYSIUGISRFG-STQMWFEESA-N 322.524 5.085 30 10 DKEE C=CCCCCCC[C@H](NCCC)[C@@H]1SCCS[C@H]1C 2206897343 AYGXVJUUQILXAA-YESZJQIVSA-N 315.592 5.118 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(Cl)cc(Cl)c1 2207429046 FIUAWWCCVVXYPG-KRWDZBQOSA-N 315.284 6.334 30 10 DKEE C=CCCCCCCC[C@H](O)c1c(F)ccc(Cl)c1F 2235539790 QXLIQKPYEHIREW-AWEZNQCLSA-N 302.792 5.568 30 10 DKEE C=CCCCCC[C@@H](Cc1cccc(Cl)c1Cl)NCC 2235757629 SMRIFSUCBCDJIP-HNNXBMFYSA-N 314.300 5.651 30 10 DKEE CSc1ccc(Oc2cccc(SC)c2C#N)cc1C 2236022987 OAEDSXJTUHACTI-UHFFFAOYSA-N 301.436 5.103 30 10 DKEE C=C[C@H](CCCCC)OC[C@@H](N)c1cccc(Cl)c1Cl 2239505854 ZWBJVODCGDSOEE-IUODEOHRSA-N 316.272 5.145 30 10 DKEE CCCc1ccc(C#C[C@@H](N)c2scc(Cl)c2Cl)cc1 2239721825 JZIKQBHUCNOMSW-CQSZACIVSA-N 324.276 5.059 30 10 DKEE C=CCCCCC[C@@H](O)c1scc(Br)c1Cl 2242655299 BNJOWBSTWUQXSZ-SNVBAGLBSA-N 323.683 5.334 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1csc(Cl)c1 2277129894 JQOFTHWFXGIWCJ-CQSZACIVSA-N 303.899 5.169 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1C 2286463729 ZCKJKHGEKXMKID-QGZVFWFLSA-N 315.284 6.252 30 10 DKEE C=CCCCCCCCSc1ncc(Cl)cc1C(=O)O 2287082398 DNJYAIHMXNJJKP-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](NCC)c1cc(Cl)cs1 2290435966 MDMKAIMSZOGUSY-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE C=CCCCCCC[C@](C)(OCCN)c1ccc(Cl)s1 2293596596 SLLNKVQUMAYFIX-INIZCTEOSA-N 315.910 5.119 30 10 DKEE C=C1C[C@@H]1C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366804922 AAFYAIDHLKZQQL-PBHICJAKSA-N 312.284 5.260 30 10 DKEE N#CC1([C@H](O)c2cc(F)c(Cl)cc2Cl)CCCCCC1 2377349822 IWXKDTRSNWZATE-CQSZACIVSA-N 316.203 5.030 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccccc1OCc1ccccc1 33376640 MEOINBGIBHDCGD-NXVVXOECSA-N 314.384 5.162 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(F)c(F)c1 37766243 WVMJDHQIBGRXIW-GFCCVEGCSA-N 305.393 5.416 30 10 DKEE Cc1ccccc1OCC[C@H](C#N)c1cccc2ccccc12 57686228 AOICQBXMBHIVRD-GOSISDBHSA-N 301.389 5.225 30 10 DKEE CCCCCOc1ccccc1CCCNc1cccc(C#N)c1 76317320 BYRWOJBSYBABGW-UHFFFAOYSA-N 322.452 5.172 30 10 DKEE CCCCCCCCCC[C@H](NC)c1snnc1C(C)C 143451795 MWEASQCDNXUSTH-HNNXBMFYSA-N 311.539 5.453 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(OC)cc1Cl 164270397 TWRBVAIQRXLATI-OAHLLOKOSA-N 318.288 5.623 30 10 DKEE C=CCCC[C@H](C)N[C@@H](CC)c1ccc(Cl)c(Cl)c1 398150071 DEEBMYXCHSWWBM-LRDDRELGSA-N 300.273 5.779 30 10 DKEE CCCCCCCCCN1C(=O)[C@H](CC)Nc2cc(C)ccc21 606610936 BKPXWMDWNUOFTO-KRWDZBQOSA-N 316.489 5.283 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccccc1OCc1ccccc1 710602134 JJYLATZFDZXYMO-SFHVURJKSA-N 315.844 5.059 30 10 DKEE CCCC1CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 712344256 IJBFYQCTDQUOKB-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C=C1CCC(CC(=O)c2ccccc2OCc2ccccc2)CC1 724594858 JRBQPLJYCJPOKU-UHFFFAOYSA-N 320.432 5.585 30 10 DKEE CCCOc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O 1871398069 HEBBRYMISXAHNY-NDENLUEZSA-N 322.404 5.215 30 10 DKEE C=C1CCC(C[S@@](=N)(=O)c2ccc(Cl)cc2Cl)CC1 1879723344 NUUZXTDJPYYJLC-LJQANCHMSA-N 318.269 5.145 30 10 DKEE CC1(C)OB([C@@H]2C[C@@H]2[C@@H]2C[C@H]2C2CCCCCC2)OC1(C)C 1897602988 RNDMEJCRQWNWRC-YLFCFFPRSA-N 304.283 5.075 30 10 DKEE C=CCCC[C@H](C)NCc1cccc(SC(F)(F)F)c1 1912926662 UBVPZLLGSZJHTA-LBPRGKRZSA-N 303.393 5.133 30 10 DKEE CCCCCC1CC(C#N)(N(CC(C)C)C(=O)OC(C)(C)C)C1 1984756334 SBSLJVUENMISLK-UHFFFAOYSA-N 322.493 5.132 30 10 DKEE C=CCCCCCCCCC[C@](C)(O)COCc1ccccc1 1995325328 JGOSFJYWCFZJDZ-NRFANRHFSA-N 318.501 5.651 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cccc(Br)c1 2050513892 VAHWOGLXXRUUBF-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE C=C1CCC(C[C@H](N)c2ccc(C)c(Br)c2C)CC1 2098444329 RARIJMQVDDYXNC-INIZCTEOSA-N 322.290 5.202 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1ccc(Br)cc1 2113426150 FGXPVVIYEBUHHZ-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cccc(SC(F)(F)F)c1 2164164912 GANQPWXHIKESID-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=CC1(CN[C@@H](CC)c2ccc(Cl)c(Cl)c2)CCCC1 2189515369 UENNIGHRCBJCSQ-INIZCTEOSA-N 312.284 5.781 30 10 DKEE C#CC[C@H](C)C[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2196856260 GIVFKYNRXFOKIR-SWLSCSKDSA-N 303.858 5.118 30 10 DKEE CSc1cccc(Nc2cc(Cl)c(F)cc2C)c1C#N 2206409542 VQPQXDOPAXTEJA-UHFFFAOYSA-N 306.793 5.125 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2220121600 PDILNZNERNGUQH-RNCFNFMXSA-N 306.664 5.510 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)c(F)c(Cl)c1 2240653510 HKPNZGGECXCWAT-GFCCVEGCSA-N 320.279 6.684 30 10 DKEE CCCCCCC[C@@H](N)c1sc(Cl)cc1Br 2244968724 HRQJENWJNKYHJP-SNVBAGLBSA-N 324.715 5.524 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cocc1Br 2258115380 WSESBRYIBHMQIT-HNNXBMFYSA-N 314.267 5.219 30 10 DKEE C=CCCCCCCCSC[C@H]1CC[C@@](F)(CN)CC1 2287186670 ZNTGYAYJDAGDQY-QAQDUYKDSA-N 301.515 5.103 30 10 DKEE CCCCCCC[C@H](NC)c1nc(C(F)(F)F)c(C)s1 2295508599 GIQISVJIJKBDDL-NSHDSACASA-N 308.413 5.091 30 10 DKEE CCCCCCCCC[C@@H](C)N[C@@H](C)CSC(C)(C)C 2295691340 KQUYWHDWLGLVPF-SJORKVTESA-N 301.584 6.025 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(Cl)cc1Br 2304058268 GULGWNRKKWKNOS-ZIAGYGMSSA-N 316.670 5.095 30 10 DKEE C=CCCSC[C@H](NCC)c1ccc(Cl)c(C)c1Cl 2353118325 VRYUOVVNDZOIKA-AWEZNQCLSA-N 318.313 5.262 30 10 DKEE CCCCCCCCCCCCOC(=O)[C@H]1C[C@H](S)C1 2362323341 CFKKFYCKNTWQGC-WKILWMFISA-N 300.508 5.159 30 10 DKEE C=CCC(CC=C)Nc1cc(Cl)ccc1OC(F)(F)F 2364078928 XIZUSADDXSGBGX-UHFFFAOYSA-N 305.727 5.171 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc(OC)c(Cl)s1 2365819922 UHWCQHMLZNSLEY-ZDUSSCGKSA-N 315.910 5.587 30 10 DKEE C=CCCCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2366790875 FEZOLYIKNKBQOK-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE CC[C@@H](OCCCCCS)c1ccc(C(F)(F)F)cc1 2369961207 OHFYDQCHJSSNHB-CQSZACIVSA-N 306.393 5.273 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCC1)c1c(Cl)cccc1Cl 37344009 HMXZNOQPFPJOHZ-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE CCCCCCCCCCCCCCCCNC(=O)C1CCC1 100454771 PTJWSZNLNPXNSO-UHFFFAOYSA-N 323.565 6.384 30 10 DKEE CCCCCCC#CCN(Cc1ccco1)c1ccc(C)cc1 102988386 MUZSFSHFIDCALU-UHFFFAOYSA-N 309.453 5.568 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C[C@H](C)CC[C@H]1C(C)C 109901202 GVUHZOVDZAYVGR-SOLBZPMBSA-N 303.515 5.837 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(Cl)cc1Cl 110155518 XJCLWTWHKXBSRW-UHFFFAOYSA-N 322.707 6.809 30 10 DKEE CCCCCCCC[C@@H](CNCC)Cc1ccc(Cl)cc1 110187697 UCGCPYBTHRKIEO-GOSISDBHSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCCn1c(S)nc2ccc(Cl)cc21 122665705 GQYQWSFEMYPNRV-UHFFFAOYSA-N 324.921 6.119 30 10 DKEE CCCCCCCCC[C@H](N)Cc1cccc(Cl)c1Cl 228985174 SJNKAFSTHWISHD-HNNXBMFYSA-N 316.316 6.004 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1csc(Cl)c1 235249888 WTYVDBBLCSROPZ-LLVKDONJSA-N 309.887 5.853 30 10 DKEE Cc1cc(CC(C)(C)C#N)cc(Cl)c1OCc1ccccc1 260697506 SVRFFXZKTTVUSS-UHFFFAOYSA-N 313.828 5.320 30 10 DKEE Fc1c(Cl)ccc(OCCCCCCCCCS)c1F 396710940 QUTQRILJPXHPFK-UHFFFAOYSA-N 322.848 5.658 30 10 DKEE C[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698379130 RQWVQEQNBXFOOV-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CCCCCCCCCCCCCCCCOC(=O)C=[N+]=N 725240215 QDSDXHYDEAODTG-UHFFFAOYSA-N 311.490 5.321 30 10 DKEE Fc1ccc(C(F)(F)F)c(-c2ccccc2OC(F)(F)F)c1 1848364044 XUJPLMTZEZZWKS-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc(SC)cc1 1859577659 HQQDYRSHHLDFBG-UHFFFAOYSA-N 307.503 5.279 30 10 DKEE C=CCC(CC=C)Nc1ccc(Cl)cc1Br 1900998221 RZPOOMCCPUPBOK-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE CCCCCCCCC[C@H](O)c1csnc1Br 1925249486 ADCXHVJWKHFWDG-LBPRGKRZSA-N 320.296 5.080 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 1931999084 UMQBMTWGCBJCKB-KRWDZBQOSA-N 321.574 5.659 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1CCC(CC)CC1 1980227070 OQSRYNMUHJWJED-RJYAGPCLSA-N 322.493 5.132 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccccc1C(F)(F)F 1990799726 GSKCGZYENDFPJY-UHFFFAOYSA-N 319.370 5.284 30 10 DKEE C=C1CCC(CN(Cc2ccccc2)CC2CCCCC2)CC1 1990855593 QUCXJNBHVICCTK-UHFFFAOYSA-N 311.513 5.815 30 10 DKEE CCC[C@@](C)(C#N)Cc1ccc(Cl)c(Br)c1F 2001857715 VTJPVSHYWMSXCR-CYBMUJFWSA-N 318.617 5.114 30 10 DKEE N#C[C@@]1(Cc2ccsc2Br)CCCCC12CCC2 2053378165 OISPOFDHTUIRBL-HNNXBMFYSA-N 324.287 5.307 30 10 DKEE CC[C@@H](c1ccc(C)cc1C)n1nc(C(C)C)c(C#N)c1Cl 2079005271 JNIYHSWTEWQPTI-INIZCTEOSA-N 315.848 5.148 30 10 DKEE Cc1ccc(-n2nc(C3CCCCC3)c(C#N)c2Cl)c(C)c1 2080386137 BHOODPJCTANFQC-UHFFFAOYSA-N 313.832 5.062 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2107875293 JMLFTKVUEBRPMO-MEBBXXQBSA-N 320.691 5.900 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(C(F)(F)F)c(Cl)c1 2146762775 JTSZWQKWHFBVPC-CQSZACIVSA-N 306.755 5.529 30 10 DKEE C[C@](O)(CC#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2149859872 ZTAFJAGHUMTLNY-KRWDZBQOSA-N 311.252 5.175 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H](C)S1 2151679257 OBAWZVIQRHARIV-OKZBNKHCSA-N 300.552 5.942 30 10 DKEE C=C[C@H](C)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2173289859 HHLBJNSNIPNMAM-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cc3c(s2)CCSC3)CC1 2181643953 SZDYWYNCLRTGNE-LBPRGKRZSA-N 306.496 5.103 30 10 DKEE CC(C)C(C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)C 2203958901 WQWYHIWNADCPMU-AWEZNQCLSA-N 312.240 5.098 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cccc(Cl)c1Cl 2207429551 KNSNYUQYKYNKLV-MRXNPFEDSA-N 314.300 6.300 30 10 DKEE CC1(CC(=O)[C@H](C#N)c2cccc(Cl)c2Cl)CCCC1 2235754980 BQSZHPUCGZUAHW-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE CCSc1cccc(SCC2(C(F)(F)F)CC2)c1C#N 2281246191 CXPKKCHMIDRVSP-UHFFFAOYSA-N 317.401 5.105 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 2294299889 ITOPRUNXNYEDGQ-UHFFFAOYSA-N 318.803 5.903 30 10 DKEE CCCSc1ccc(C(=O)C=Cc2ccc(OC)cc2)cc1 2295967804 QAPMBWVRXAWBSB-UHFFFAOYSA-N 312.434 5.093 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1sc(C)c(Br)c1C 2304046311 PDRDLHVKAVGSAL-KGLIPLIRSA-N 316.308 5.120 30 10 DKEE C=CCOc1cccc(C=CC(=O)c2ccc(CCCC)cc2)c1 2323076342 TXBIIJWPIHGXTF-UHFFFAOYSA-N 320.432 5.490 30 10 DKEE Cc1ccc(C(=NOCc2ccc(Cl)cc2)C2CC2)cc1C 2330296647 AOPJRMLZWHIFLZ-UHFFFAOYSA-N 313.828 5.288 30 10 DKEE CCCCCCC[C@](C)(O)Cc1cc(F)c(Cl)cc1Cl 2377273496 RCMRMNIKPNHCLK-INIZCTEOSA-N 321.263 5.787 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1 36930616 KHNOHIMYZFLJCB-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2ccc(OC(C)C)cc2C)c1 83193013 VMGHMPOMKRDYCD-FMIVXFBMSA-N 324.420 5.077 30 10 DKEE CCCCCCCCSC(=S)n1ccc2ccccc21 103013677 KXJUTYUTBVNALF-UHFFFAOYSA-N 305.512 5.868 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 109901080 HHRJAAWKWDHFNW-LSBZLQRGSA-N 301.499 5.591 30 10 DKEE CCCCCCCCCNc1ccc(Cl)c(C(F)(F)F)c1 110162671 GATAFLYGPJEXNR-UHFFFAOYSA-N 321.814 6.521 30 10 DKEE CCCCCCC[C@H](NC)c1cc(C)c(Br)s1 126131130 IAVLLVYOTSMETD-LBPRGKRZSA-N 318.324 5.440 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)c1csnn1 143499511 ZAGUINILMIRHCP-INIZCTEOSA-N 311.539 5.500 30 10 DKEE CCCCCCCCC[C@H](Cc1ccc(CC)s1)NCC 161228010 DFSPRPURSIDWEP-QGZVFWFLSA-N 309.563 5.972 30 10 DKEE CCCCCCCCCC[C@@H](O)c1occc1Br 232952579 OBIBPRZFWQEVHM-CQSZACIVSA-N 317.267 5.606 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccsc1Br 388808806 BVTBMMUGULTURW-ZDUSSCGKSA-N 319.308 5.165 30 10 DKEE Cc1cc(C#N)cc(N[C@@H](C)c2c(Cl)cccc2Cl)c1 400800811 DEERJBICFVQHAV-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1ccsc1Cl 687927980 DRCOFUWETXTTGK-MRXNPFEDSA-N 316.938 6.226 30 10 DKEE CCCC(C#N)(CCC)N(C(=O)OC(C)(C)C)C1CCCCC1 698383305 PZRSPRGYSBZBHJ-UHFFFAOYSA-N 322.493 5.419 30 10 DKEE CCCCCCCCCC(=O)c1ccsc1Br 699054855 NIOABUVYVWBSJR-UHFFFAOYSA-N 317.292 5.834 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 715733083 NBLBMSQAKWTHMM-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cscc1C(F)F 720339675 VWCUTMCDYKHQLL-CQSZACIVSA-N 304.450 5.331 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 722121124 VDVWBSWKPYYPEZ-DYVFJYSZSA-N 310.268 6.036 30 10 DKEE Brc1ccc(N=Cc2cccc3ccccc23)cc1 1084409589 HSHQJVWYIBCSBM-UHFFFAOYSA-N 310.194 5.353 30 10 DKEE O=C1/C(=C/c2ccc(Cl)cc2)CSc2cccc(Cl)c21 1614719929 RODBVLFXCOXAEE-DHZHZOJOSA-N 321.228 5.365 30 10 DKEE C=CCN(c1nc2ccccc2s1)c1nc2ccccc2s1 1614950197 OYXWQKDSJQCOPJ-UHFFFAOYSA-N 323.446 5.230 30 10 DKEE CCCCCCCCNC(=O)c1ccccc1SCCC 1859575273 RQTUGBGGDONBGY-UHFFFAOYSA-N 307.503 5.279 30 10 DKEE C[C@@H]1CCC[C@]1(C#N)Cc1sc(Cl)cc1Br 1903678849 NNHNUZOERVXYLC-PRHODGIISA-N 318.667 5.036 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2ccc(Br)s2)CC1 2010784488 ZAPOXJCTUCYWNE-JTQLQIEISA-N 313.260 5.076 30 10 DKEE C=CCCCCC[C@](N)(CC)c1cccc(Br)c1 2037102826 FFXNMJGAWCAECL-MRXNPFEDSA-N 310.279 5.150 30 10 DKEE CCCCCCCCN(C)Cc1snc(Cl)c1Cl 2074911098 JJGIGUWCCYIFEB-UHFFFAOYSA-N 309.306 5.242 30 10 DKEE CCCC#CC[C@@H](NCCC)c1cc(Cl)sc1Cl 2083407727 IRNGUHQSQCHMAB-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc(Br)co1 2085839591 PNJCYONZZIFINM-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=CCCCCCCC(=O)c1cc(Br)ccc1F 2085849406 KVTRWMSMESNTOS-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE CCC[C@@]1(C)CSC(=Nc2c(Cl)cc(F)cc2Cl)N1 2090411662 KRXGCLOCJBWFPK-ZDUSSCGKSA-N 321.248 5.015 30 10 DKEE C=CC1(CN[C@@H](CC)c2cccc(Br)c2)CCCC1 2132976419 BEAUNNGNGUMDOD-INIZCTEOSA-N 322.290 5.236 30 10 DKEE CCCCCCCC[C@@H](C#N)Nc1ccccc1Br 2142472559 ZWNODSAIVGQGQI-AWEZNQCLSA-N 323.278 5.504 30 10 DKEE C[C@@H]1CCCC[C@@]1(C#N)Cc1csc(-c2ccsc2)n1 2144694341 HLSVAJOHXOEXGM-WBMJQRKESA-N 302.468 5.134 30 10 DKEE C=CC1(CC(=O)c2cccc(SC(F)(F)F)c2)CCC1 2168007916 QICDAMMLZOECQW-UHFFFAOYSA-N 300.345 5.228 30 10 DKEE C=C(c1ccccc1)[C@H](NCCC)c1cc(C)c(Cl)s1 2197140911 YKBWOFNKBXSQDQ-INIZCTEOSA-N 305.874 5.464 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(F)c(Cl)cc1F 2206893410 ZUSXTIFXDCRCBP-INIZCTEOSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCCNc1cccc(OCc2ccccc2)c1 2214618557 PWIKSMXYODYAFN-UHFFFAOYSA-N 323.480 6.204 30 10 DKEE C=CCCCCCCC[C@@H](O)c1snc(Cl)c1Cl 2220085090 MZDJBAQMGSKSCL-SNVBAGLBSA-N 308.274 5.400 30 10 DKEE CCCCCCCCC[C@@H](N)c1cocc1Br 2249419423 HEAYHKYQLKJCPE-CQSZACIVSA-N 302.256 5.183 30 10 DKEE C=CCC[C@@H](C)Oc1c(Cl)cc(CNCCC)cc1Cl 2296255825 OMZFZPWFOQWHGD-GFCCVEGCSA-N 316.272 5.227 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(Br)cc1 2321102251 PLYRYPYMNYGIIR-CVEARBPZSA-N 310.279 5.092 30 10 DKEE C=CCC[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2349875483 HFVIZEVMGNOSIF-LBPRGKRZSA-N 304.236 5.009 30 10 DKEE Cc1cccc(/C=C2/CC(C)C/C(=C/c3cccc(C)c3)C2=O)c1 3216259 DBBGGMCVJOAHAD-HHQODBOJSA-N 316.444 5.769 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccccc1C)[C@H]1CC=C[C@H]21 14478925 RTCFHAXKLLFYML-WFXMLNOXSA-N 317.432 5.386 30 10 DKEE C[C@@H](C#N)c1c(-c2ccc(-c3ccccc3)cc2)nc2ccccn12 31921226 YRPFFEFTACTYAO-INIZCTEOSA-N 323.399 5.295 30 10 DKEE O=C1/C(=C\c2ccc(C(F)(F)F)cc2)CC[C@@H]1C1CCCC1 33904423 IJIZPDDJBJFYIT-SYCZXOQXSA-N 308.343 5.258 30 10 DKEE CCCCCCCO[C@@H](c1ccc(Cl)s1)[C@@H](N)CC 103992835 XLKINVOMRQCCED-SWLSCSKDSA-N 303.899 5.167 30 10 DKEE CCCCCCCC[C@@H](N)Cc1ccc(Br)cc1 109718548 HEBJUHJFTBWKML-MRXNPFEDSA-N 312.295 5.070 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H](OCC)C(C)C 122976500 OEIAFJRQNCXUMH-OALUTQOASA-N 300.527 5.719 30 10 DKEE CCCCCCCCC[C@@H](NN)c1ncc(Cl)cc1Cl 128459191 KUAXXGOQPMYXQF-CQSZACIVSA-N 318.292 5.034 30 10 DKEE CCCCCCCOCc1cccc(F)c1Br 158119581 UXYOVAFOTPAPIO-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)c1sccc1C 162299724 AWXAHRFJFDOBGF-GOSISDBHSA-N 309.563 6.628 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)cc1Cl 164707719 VCKKXJSIQOSVPJ-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE O=C1CCCC=C1c1c(Cl)c(Cl)cc(Cl)c1Cl 304569025 WVCPDJDTAFTNBU-UHFFFAOYSA-N 310.007 5.437 30 10 DKEE CCCCCCCCC[C@@]1(O)CCN(Cc2ccccc2)[C@H]1C 309689629 CMPJNFPKXUXOJN-PZJWPPBQSA-N 317.517 5.153 30 10 DKEE CC(C)(CCC#N)CNc1ccc(OCc2ccccc2)cc1 380937181 KLFSUMZNIWXEIT-UHFFFAOYSA-N 308.425 5.007 30 10 DKEE CC[C@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698372033 ABPUQBMIBRMGHH-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C=CCCC(C)(C)CN[C@@H](CC)c1ccc(Cl)cc1Cl 704040235 PCJMCARALJDGSP-INIZCTEOSA-N 314.300 6.027 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712611716 YKTXHAWMIYNWEZ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CSc1ccc2cc(SC(F)(F)F)sc2c1CC#N 725318647 UAPNVQAYPDRUSV-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE Clc1cccc(C=Nc2ccc(Oc3ccccc3)cc2)c1 1084630987 ZOKVZDWESATZED-UHFFFAOYSA-N 307.780 5.883 30 10 DKEE CC[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1cccc(C)c1)C2=O 1871422193 ZJTWETZETLERAP-VCRXTVNUSA-N 322.404 5.097 30 10 DKEE N#C[C@]1(Cc2cc(Cl)sc2Cl)CCc2ccccc21 1883073457 GNAILNLDHIYIGD-OAHLLOKOSA-N 308.233 5.005 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)c1ccc(F)cc1F 1917913977 JEEJPBUNNWVDBI-HXUWFJFHSA-N 303.418 5.121 30 10 DKEE CCCCCCC[C@@H](O)c1c(Br)sc(C)c1C 1951007517 BRTDDBJFNUGTMK-GFCCVEGCSA-N 319.308 5.521 30 10 DKEE CCCCCCCC[C@H](N)C1CC(OCc2ccccc2)C1 1958677931 CGZYRUYQUVNNFY-MHJFOBGBSA-N 303.490 5.060 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cccc2ccccc12 1990796642 GWLSHBKJIGFBML-UHFFFAOYSA-N 301.433 5.418 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Cl)c(Cl)s1 2038529596 CAHWLJYFGXBVHV-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE CC[C@H](c1ccc(C)c(C)c1)n1nc(C(C)C)c(C#N)c1Cl 2079092680 GQRUZIHPBOKJIK-MRXNPFEDSA-N 315.848 5.148 30 10 DKEE CC1([C@](C)(C#N)Nc2ccc(Br)cc2)CCCCC1 2101388933 IIDZKEYPRXEDKP-INIZCTEOSA-N 321.262 5.114 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C=O)CCCC(C)(C)C1 2112205867 FQTMTBBFZSXGRF-QGZVFWFLSA-N 323.274 5.086 30 10 DKEE CCCCCCCCC[C@@H]1Nc2cc(Cl)cc(Cl)c2O1 2144460622 PHXMRPPNYAFSKK-OAHLLOKOSA-N 316.272 6.265 30 10 DKEE C=C1CCC(C[C@H](NCC)c2c(Cl)cncc2Cl)CC1 2164094764 NNVAMOVECJTCAJ-HNNXBMFYSA-N 313.272 5.176 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cc(C(F)(F)F)cs1 2164264467 JRQUZXSMECCVTG-SMDDNHRTSA-N 305.409 5.410 30 10 DKEE C=C1CCC(C[C@H](NCCC)c2ncc(SC)s2)CC1 2164281998 RPWDSQHCQOEFTJ-AWEZNQCLSA-N 310.532 5.042 30 10 DKEE C=CC1(CNc2ccc(OC(F)(F)F)cc2Cl)CCC1 2168031681 SDBNEDFSAJVBJV-UHFFFAOYSA-N 305.727 5.007 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1cccc2ccsc12 2184418776 FVFGHUFBEMBQEJ-UHFFFAOYSA-N 302.761 5.309 30 10 DKEE CCCCC#CC[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2203786203 CWEHDLOKDXOZRP-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE CCN[C@H](C#C[Si](C)(C)C)c1ccc(-c2cccs2)s1 2205873366 GHKAVYIIPRKXDT-CYBMUJFWSA-N 319.571 5.008 30 10 DKEE CCCCCCCC[C@H](C)Nc1csnc1Br 2217313528 MBXCRFDEPJMOBY-NSHDSACASA-N 319.312 5.457 30 10 DKEE CCCCCCCCCCCOCC1(CS)CCCC1 2239497999 ICIQLSHFFPLTFB-UHFFFAOYSA-N 300.552 6.024 30 10 DKEE CCCCCCCC[C@](C)(O)c1cc(Cl)cc(F)c1Cl 2240618734 WSTNVJKEARWZDV-INIZCTEOSA-N 321.263 6.091 30 10 DKEE CCCCCCCCC(=O)[C@H]1CCCN(Cc2ccccc2)C1 2244002732 OIPYOVRXFNSIHN-FQEVSTJZSA-N 315.501 5.218 30 10 DKEE C=CC[C@@H](C)c1cc(Br)cc(OC(F)(F)F)c1 2250870391 RTYNVSVMBKINCK-MRVPVSSYSA-N 309.125 5.027 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1c(C)c(C)c(C)c(C)c1C 2252600819 SXNQYLNZNHJMSJ-UHFFFAOYSA-N 321.508 5.807 30 10 DKEE C=CCCCCCC(=O)c1cc(F)c(Br)cc1F 2255662691 QMKAFYYUALNSMA-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2318359603 BARCLOGZIMGNMH-LBPRGKRZSA-N 310.627 5.316 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2321149279 WSVZZSVKTFCBGY-YMTOWFKASA-N 306.664 5.510 30 10 DKEE CCCCCC#CC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2349795813 DQPLEGFQTLHXIZ-OAHLLOKOSA-N 302.220 5.106 30 10 DKEE CCCCCCCC[C@@](C)(SCCCSC)C(=O)O 2351910099 LUXDEWATOFEIOZ-OAHLLOKOSA-N 306.537 5.067 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cccc(Cl)c1Cl 2370539396 GCQCJFAADISSEB-IRXDYDNUSA-N 314.300 6.027 30 10 DKEE Cc1ccc(Sc2ccc(C#N)c(C(F)(F)F)c2)cc1C 37306507 PTXZUVRDKJFZMP-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CC(C)Oc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 83201725 KZEZYHDVGNPYRQ-DHZHZOJOSA-N 300.785 5.023 30 10 DKEE Cc1ccccc1N/C=C\C(=O)c1ccc(-c2ccccc2)cc1 101500549 AURREQSNPUNPHF-NXVVXOECSA-N 313.400 5.471 30 10 DKEE CCCCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21 101907258 VAACHNNMPCRKTH-UHFFFAOYSA-N 324.443 6.203 30 10 DKEE CCCCCCCCOc1ccc([C@@H](C)NCC)c(Cl)c1 112735272 KHBKKVUTPJYNLB-OAHLLOKOSA-N 311.897 5.750 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2nc3ccccc3s2)C1 222235197 OPCLBQXUGUYIPV-JMSVASOKSA-N 302.468 5.107 30 10 DKEE Cc1ccc(-c2ccc(/C=C/c3ccc(C#N)cc3)s2)s1 247821182 GNUPWHDWZRSYMI-BQYQJAHWSA-N 307.443 5.827 30 10 DKEE Cc1ccccc1N=C1c2ccccc2-c2nc3ccccc3cc21 254521423 CXKUNLKWJCXPPL-UHFFFAOYSA-N 320.395 5.693 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1ccsc1Cl 312529843 GFNRQMDZRNHYHH-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccc(Cl)c(Cl)c1 689239324 JVJWEALDDTWKFL-CYBMUJFWSA-N 302.289 5.832 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1ccc(OCc2ccccc2)cc1 695864320 MPLKEYYPTJRHAX-INIZCTEOSA-N 308.425 5.006 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cscc1C(F)F 720270681 PVBRLVOTKLJFKO-OAHLLOKOSA-N 303.462 6.087 30 10 DKEE CCCCCCCC[C@@H](O)Cc1cc(Cl)cc(Cl)c1 1893293823 SKWMJGFXTCTZLB-MRXNPFEDSA-N 303.273 5.647 30 10 DKEE C=C(Cl)C[C@H](NCC)c1cscc1OCc1ccccc1 1934837669 GYHFGIKYWUGBDS-INIZCTEOSA-N 321.873 5.120 30 10 DKEE CCCCCCCCC[C@H](N)c1ncc(Br)s1 1948940226 CTTMSZPOGYREHB-NSHDSACASA-N 319.312 5.046 30 10 DKEE C=CCCC[C@@H](NCCC)c1sc(Br)cc1C 2000388363 SVNDUUGYIIILPT-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE C=CCCCCCCC(=O)c1ccc(OCc2ccccc2)cc1 2026022619 WULPYCASBPUOQE-UHFFFAOYSA-N 322.448 5.975 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](CC)c1cccc(Br)c1 2035362755 DOUDUEHBUKXXOE-BBRMVZONSA-N 310.279 5.235 30 10 DKEE O=C1C(=Cc2ccsc2)[C@H](c2ccccc2)Oc2ccccc21 2053613015 VFCPCFQUTCSSMO-FQEVSTJZSA-N 318.397 5.148 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Br)ccc1C 2082465243 ZOCFBBUDFJFKRF-MRXNPFEDSA-N 312.295 5.292 30 10 DKEE C=CCCCCCC[C@H](NCC)c1ccoc1Br 2085857363 YBDJPIVRSOAAME-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1scc(Cl)c1Cl 2096213779 WCANRKCBBHTJDP-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE C[C@@H](NCC#CC1CCCCC1)c1ccc(Cl)cc1Cl 2149859082 VBAUJUNISRCBRY-CYBMUJFWSA-N 310.268 5.228 30 10 DKEE CCCCCCCCOc1nc(Cl)c(CNCCC)s1 2155323524 KHPJCBHJPFDREB-UHFFFAOYSA-N 318.914 5.035 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc2sc(C)cc2s1 2179676459 GAVVCMASGJUJKY-CQSZACIVSA-N 307.528 6.058 30 10 DKEE C=CCCCCCCNc1cc(C(F)(F)F)ccc1Cl 2206899939 OOZSAYNQHDELAS-UHFFFAOYSA-N 305.771 5.907 30 10 DKEE Cc1ccc(COc2c(C)cc(Cl)cc2Cl)cc1C#N 2232599489 GTCTWQIMOOEVNP-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C=CCCCCCC[C@@H](Cc1cc(Cl)ccc1Cl)NC 2234035694 MVHNZZGMCMYHFG-INIZCTEOSA-N 314.300 5.651 30 10 DKEE C=CC[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2254748781 AJRZGHVEMFCPRH-MRXNPFEDSA-N 310.279 5.189 30 10 DKEE CCCC#CC[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286472925 JOLYYWLUGYJTRD-KRWDZBQOSA-N 312.284 5.536 30 10 DKEE CN(CCCCCCCS)[C@H]1CCC(F)(F)CC1(C)C 2294776469 RGXYTPSUSOZUQM-AWEZNQCLSA-N 307.494 5.013 30 10 DKEE Cc1ccc(N=CC=C(O)c2ccc(Br)cc2)cc1 2296646563 RRWVQCQILSVTOW-UHFFFAOYSA-N 316.198 5.059 30 10 DKEE CC(C)(C)c1cc(C=NC2CCCCC2)cc(C(C)(C)C)c1O 2297635593 WRDWZTRUQVJCNH-UHFFFAOYSA-N 315.501 5.739 30 10 DKEE Cc1cccn2c(N=Nc3ccccc3C#N)c(C(C)C)nc12 2320767662 KTJFLAHQYNZZSX-UHFFFAOYSA-N 303.369 5.053 30 10 DKEE CCCCCCC[C@@](C)(Sc1ccc(Cl)cc1)C(=O)O 2353864455 YFMUZJSHKMNPBO-MRXNPFEDSA-N 314.878 5.636 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2364537518 LULPJWXEZMQYQQ-QGZVFWFLSA-N 312.284 5.721 30 10 DKEE CC[C@H](OCCCCCS)c1ccc(C(F)(F)F)cc1 2369961206 OHFYDQCHJSSNHB-AWEZNQCLSA-N 306.393 5.273 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cscc1C(F)F 2370481891 IDVKYWLCOPAXBM-HOCLYGCPSA-N 301.446 5.719 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 33378714 FAROOPRYVAAPPP-BCTQVIJGSA-N 317.215 5.244 30 10 DKEE N#Cc1cc(NC2CC(c3ccc(Cl)cc3)C2)ccc1Cl 36973418 DXMMKSAAXKEPIZ-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE C=CC/C=C\C/C=C/CCCCCCCc1cc(O)cc(O)c1 85599336 OOXBEOHCOCMKAC-KXKKYDSASA-N 314.469 6.060 30 10 DKEE CCCCCCCCOc1ccc([C@H](C)NCC2CC2)cc1 100047088 FRYCDVOUAWWMOL-KRWDZBQOSA-N 303.490 5.487 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(Br)s1 110221602 ZTSUAWGQNQBCLP-LBPRGKRZSA-N 318.324 5.522 30 10 DKEE CC(C)(C)c1ccc(Sc2cc(Cl)ccc2C#N)cc1 110354174 DKITUBMJZBCYGN-UHFFFAOYSA-N 301.842 5.660 30 10 DKEE CCCCCCCCCC[C@H](CSCCC)NCCC 115644540 YAJLTSCZWUIWJX-GOSISDBHSA-N 301.584 6.029 30 10 DKEE CCCCCCCCC[C@H](N)[C@H]1CCC[C@H](C(F)(F)F)C1 139507364 AAFWMOBQIZLDGT-JYJNAYRXSA-N 307.444 5.823 30 10 DKEE N#Cc1ccc(N[C@@H](c2cccs2)C2CCCC2)c(F)c1 168290949 HFPWBHSIPXYBFO-QGZVFWFLSA-N 300.402 5.102 30 10 DKEE Cc1cc(C)c(C)c(Oc2cccc(Br)c2C#N)c1 168623343 GMQIOZVBRWTQHR-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CCCCCC/C=C/NC(=O)Oc1ccccc1OC(C)C 207030432 LBXFNJZSMCHEDH-SDNWHVSQSA-N 305.418 5.046 30 10 DKEE CCc1ccc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cc1 207431966 AADRFEDBCPBZSA-ATVHPVEESA-N 318.460 6.193 30 10 DKEE CCCc1ccc(Nc2ccc(C#N)c(Br)c2)cc1 228178039 CVQAJWSISAACKK-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE CCCCCCCCC[C@@H](N)Cc1cccc(Cl)c1Cl 228985167 SJNKAFSTHWISHD-OAHLLOKOSA-N 316.316 6.004 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(Cl)cc(Br)c1 233582646 CCUYMJTUQAYGAK-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCC(=O)c1cccc(OCc2ccccc2)c1 309765747 HYHNVFQYIDOMAN-UHFFFAOYSA-N 310.437 5.809 30 10 DKEE Cc1ccc(C#N)c(Nc2cccc(OCc3ccccc3)c2)c1 310496253 KNLYSUMIXIMYKT-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CCC1CCC(C#N)([C@@H](C)c2ccc(Br)cc2)CC1 311374884 KNERMYASDCOJEQ-CBCUQQMYSA-N 320.274 5.663 30 10 DKEE CC(C)S[C@H]1CCCN(CCCCCCCCCS)C1 383044511 LSPDMUIHMGKWGE-KRWDZBQOSA-N 317.608 5.253 30 10 DKEE C=CC[C@@H](CC)Nc1ccc(C(F)(F)F)cc1Br 393794036 ISJADBXXFNNQAV-SNVBAGLBSA-N 322.168 5.235 30 10 DKEE Cc1c(Cl)cc(N=C2N[C@@H](C(C)C)CCS2)cc1Cl 690274052 BQMWUFULRIWIMO-CYBMUJFWSA-N 317.285 5.040 30 10 DKEE O=C(C=Cc1ccccc1OCc1ccccc1)c1cccs1 1911851052 AVFMWTWKEKATEN-UHFFFAOYSA-N 320.413 5.223 30 10 DKEE CCCCCCCCCCN(CCCO)Cc1ccccc1 1914603795 JKQRKQDDVTUVEF-UHFFFAOYSA-N 305.506 5.012 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@H](C)NCCC)cc1 1914962770 VIJPDHKODNZAKI-IBGZPJMESA-N 322.496 5.330 30 10 DKEE Cc1cc(N(Cc2ccccc2)Cc2cccs2)ccc1C#N 1915434174 OSPLQHQYWBKVQC-UHFFFAOYSA-N 318.445 5.135 30 10 DKEE CCCCCCCC[C@]1(N)CCc2ccc(Br)cc21 1920448463 JHCXYRANFHYIME-KRWDZBQOSA-N 324.306 5.300 30 10 DKEE C=C(C)CN(Cc1ccccc1)CC1CC(C)(C)CC(C)(C)C1 1994021770 ATNQJXJLGQYKTC-UHFFFAOYSA-N 313.529 5.917 30 10 DKEE CC[C@H]1CC=C(C(=O)c2c(C)cccc2Br)CC1 2061176030 AEMKYSMTDLIZMJ-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE CC(C)c1ccc(-n2nc(C(C)C)c(C#N)c2C(F)(F)F)cc1 2079034879 USQRIPLAVKIVFW-UHFFFAOYSA-N 321.346 5.010 30 10 DKEE C=CCCCCCC[C@H](NN)c1cc(Cl)sc1Cl 2085845096 SPXVYADWIBJXLZ-NSHDSACASA-N 307.290 5.086 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1Br)C1(C)CCCCC1 2101389737 LSMCJHTYQJIMCK-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cc(Cl)cs1 2102395437 XHCAGGOKRQRPFI-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE CCCCCCCCC(=O)c1c(Cl)ccc(Cl)c1Cl 2107729029 WSBXOGIAELKUAD-UHFFFAOYSA-N 321.675 6.580 30 10 DKEE C=CC1(C[C@H](NCC)c2cccc(Br)c2C)CCC1 2111711606 PGUASTHZCVYRCR-INIZCTEOSA-N 322.290 5.155 30 10 DKEE CCCCCCC[C@H](C)N[C@@H]1CCC[C@@H](P(C)(C)=O)C1 2160836316 OQYHSJSLWPGWRW-GVDBMIGSSA-N 301.455 5.259 30 10 DKEE C=CCC[C@H](NCC)c1ccc(-c2ccccc2Cl)s1 2164106033 XTDNCFCIRNRWPL-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C=CCCCCCCCCC[C@H](N)[C@H]1SCCS[C@H]1C 2207430804 YMUQRSKBENVUSB-ULQDDVLXSA-N 315.592 5.248 30 10 DKEE CCCCCCCCCCCCOC[C@H](O)C1(Cl)CC1 2239511220 SREGUTDABCATIZ-INIZCTEOSA-N 304.902 5.056 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1cc(Cl)cs1 2278240481 ZPWYJWWZEABKNB-CQSZACIVSA-N 301.927 6.020 30 10 DKEE C=C(C)CCCC[C@H](NCCC)[C@H]1SCCS[C@@H]1CC 2287471492 BNJHGEZURKNWPL-GVDBMIGSSA-N 315.592 5.118 30 10 DKEE CCCCCCCC[C@@H](CC(C)(C)SC)OCCCN 2293718205 UNPMNNFHWFSWFO-INIZCTEOSA-N 303.556 5.003 30 10 DKEE CCCCCCCCC[C@H](C)Nc1ccc(Cl)c(Cl)c1 2295672153 ZNIITKJUFIRQBC-AWEZNQCLSA-N 316.316 6.935 30 10 DKEE C=CCCCCCCC[S@](=N)(=O)C[C@H](CC)CCCC 2295699460 KIGKSFLOZNATBV-XLIONFOSSA-N 301.540 5.776 30 10 DKEE CSC(SC)=C1CCCC(=Cc2ccc(Cl)cc2)C1=O 2296885893 LVFHHXRUDINJFG-UHFFFAOYSA-N 324.898 5.414 30 10 DKEE Clc1ccc(C=NCc2ccc(-c3cccs3)s2)cc1 2297563075 IOBYMUQNZTVNDF-UHFFFAOYSA-N 317.866 5.749 30 10 DKEE CC(C)(C)c1ccc(C(=O)C=CNc2ccc(Cl)cc2)cc1 2297681119 RDNHGHIACJNNIJ-UHFFFAOYSA-N 313.828 5.446 30 10 DKEE C=CC[C@H]1CCC[C@@H]1NCc1cccc(OCc2ccccc2)c1 2300177330 WTDRVQSVOLKWKL-UNMCSNQZSA-N 321.464 5.100 30 10 DKEE Cc1ccc(O)c(/N=C/c2ccc(OCc3ccccc3)cc2)c1 243283 MNNDHHBAVFEYJA-HYARGMPZSA-N 317.388 5.030 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 14458652 QEQWRDZHBSZULR-BBTUJRGHSA-N 317.432 5.386 30 10 DKEE CCCCCCCNCc1cccc(OC)c1OCCCCC 100126194 YAPDMBBBHNQDPU-UHFFFAOYSA-N 321.505 5.324 30 10 DKEE CCC#C[C@@H](C)[C@H](C)c1ccc(OCc2ccccc2)cc1C 107616814 BOBMSGVSYKFSKZ-MJGOQNOKSA-N 306.449 5.727 30 10 DKEE CCCCCCCCOc1ccc(C[C@H](N)CC)cc1Cl 109765455 DMHNPADRKCESKL-MRXNPFEDSA-N 311.897 5.359 30 10 DKEE CCCCCCCCNc1ccccc1SC1CCCC1 109892165 MHTMQIRRAIMPNL-UHFFFAOYSA-N 305.531 6.494 30 10 DKEE CCCCCCCCC[C@H](CS[C@@H](C)CC)NCCC 115646108 RKXWCVNGAQDRIR-ZWKOTPCHSA-N 301.584 6.027 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Br)c(C)s1 227716768 UOFIBMGSQZFJTI-ZDUSSCGKSA-N 318.324 5.569 30 10 DKEE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC1(CS)CCCCCC1)C2 229002189 BRUHATQMLOAOTQ-BQFCYCMXSA-N 310.547 5.488 30 10 DKEE Cc1cccc(N[C@@H](C)c2cccc(Cl)c2Cl)c1C#N 235538285 AYNIUEQENDUGRZ-NSHDSACASA-N 305.208 5.347 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc(Cl)cc(Cl)c2)C1 381016526 VFAYERVKOOBVQL-BFVZDQMLSA-N 300.254 5.414 30 10 DKEE C=CCCC[C@H](NCC)c1cccc(NC(=O)OC(C)(C)C)c1 406816173 JISXXHTWVKDWMW-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE Cc1cccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)c2ccccc2)c1 698406996 SLRBQBLWOODHMQ-SFHVURJKSA-N 322.408 5.001 30 10 DKEE C[C@](C#N)(CCc1cc(Cl)cc(Cl)c1)c1ccccc1 722125401 ZJVAWYRTGBXUGD-QGZVFWFLSA-N 304.220 5.407 30 10 DKEE CC/C(=N\OCc1cccc(Cl)c1)c1ccc(C)c(C)c1 821217711 HKYILVUTSNNDOW-CZIZESTLSA-N 301.817 5.288 30 10 DKEE Fc1ccc(C#Cc2cc(C(F)(F)F)ccc2Cl)cc1F 1614826756 QKMDOULXRUPCHH-UHFFFAOYSA-N 316.656 5.037 30 10 DKEE C=C([C@@H](NCCC)c1cccc(Cl)c1Cl)[Si](C)(C)C 1922870469 UDBAHQZCTDSROR-OAHLLOKOSA-N 316.348 5.468 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cscc1OCc1ccccc1 1934839563 SMDYOZSWJGFUOK-GOSISDBHSA-N 315.482 5.334 30 10 DKEE C=CCN(Cc1ccccc1)C1c2ccccc2-c2ccccc21 2019337982 JNYONUXCTYCGAC-UHFFFAOYSA-N 311.428 5.445 30 10 DKEE C=CCC[C@H](C)n1c(S)nc2cc(Cl)c(Cl)cc21 2048235985 GNVGWEACBZAXAY-QMMMGPOBSA-N 301.242 5.159 30 10 DKEE CSc1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)F 2060209425 HDYJYYOBBSXZKW-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CC#CCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2075358310 NKGVIZSBWPDAAZ-GFCCVEGCSA-N 304.648 5.230 30 10 DKEE CCCCCC#CC[C@@](C)(N)c1cc(Cl)sc1Cl 2083440318 RNMFNMSQSLIGHB-CQSZACIVSA-N 304.286 5.203 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(Br)c(C)c1 2085843587 CZQXCFFMUJULPJ-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE CC1(C)CCCC[C@]1(C)Nc1cc(Br)ccc1C#N 2103595076 PBMJPAZRHNMEDK-INIZCTEOSA-N 321.262 5.092 30 10 DKEE Cc1cc(CN(C)CC2(CS)CCCCC2)sc1Cl 2109076065 CPZRCDZMZBILPH-UHFFFAOYSA-N 317.951 5.022 30 10 DKEE CCCCC#CC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2138993899 MKZDKGKKKHPJEC-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE C=CCCCCCCCCN(C)c1ccc(Br)cc1 2142395995 ACICQTLOIARURS-UHFFFAOYSA-N 324.306 5.802 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1ccc(Cl)c(Cl)c1 2148586078 GXURCYIYJQHBSQ-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE CCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@H]1NCCC 2172979445 DQKKDRCODBCZQP-HLIPFELVSA-N 301.455 5.118 30 10 DKEE CC[C@@H](CCC(C)C)N(C)CCCCCCCCCS 2186016149 MZTXVTUSLRTHIN-SFHVURJKSA-N 301.584 5.794 30 10 DKEE CCCCCCCCCC[C@]1(O)CS[C@H](C(F)(F)F)C1 2189219339 APAKZJZKJBIIEM-UONOGXRCSA-N 312.441 5.316 30 10 DKEE C=C1C[C@H]2CC(Nc3c(C)cc(Cl)cc3Cl)C[C@@H](C1)C2 2201070668 ODWZRVJWOXIJCP-NNQSOWQGSA-N 310.268 5.849 30 10 DKEE C#C[C@@H](N[C@@H](C)c1cccc(Cl)c1Cl)C1CCCCC1 2203796894 BDMDFNKOXQNBCN-BLLLJJGKSA-N 310.268 5.226 30 10 DKEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C1CCCCC1 2203799166 VSOWFNKCAZZSLV-YVEFUNNKSA-N 310.268 5.226 30 10 DKEE C=C[C@@H](CCCCC)OCc1cc(F)cc(Br)c1 2223240316 BNQACQHNISNEMS-HNNXBMFYSA-N 315.226 5.240 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(N)c(Br)c1 2227282990 CXIJFGZVHCOEKO-UHFFFAOYSA-N 324.262 5.131 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(Cl)cc1Cl 2227287437 PMHGFCOPOBMTHF-INIZCTEOSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cnc(C(F)(F)F)s1 2235540780 APWXXBPOUDBNQN-LLVKDONJSA-N 307.381 5.112 30 10 DKEE FC(F)(F)Oc1ccc(SCC2(CS)CCCC2)cc1 2235920186 VPEVBZUSVQEWOT-UHFFFAOYSA-N 322.417 5.168 30 10 DKEE FC(F)(F)[C@H]1CCCC[C@H]1OCC1(CS)CCCCC1 2239958047 IHBFVFROEJCOCJ-QWHCGFSZSA-N 310.425 5.004 30 10 DKEE CCCCCCCC[C@H](C)NCc1cc2sccc2s1 2240667563 XRAMGUOYXSLKJE-AWEZNQCLSA-N 309.544 6.192 30 10 DKEE C=C[C@H](C)CCNc1ccc(C(F)(F)F)cc1Br 2260404329 IHPBUZLJDVDMCR-VIFPVBQESA-N 322.168 5.092 30 10 DKEE CCCCCCCCN(C)Cc1cc(Cl)nc(Cl)c1 2271197798 FQSZADVPJYMLRT-UHFFFAOYSA-N 303.277 5.181 30 10 DKEE C=CCCC[C@@H](N)c1c(C)c(C)c(Br)c(C)c1C 2322461108 OTDJDHHKRSUVDW-CQSZACIVSA-N 310.279 5.039 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2340263921 LFYALEUUOYZEAV-GFCCVEGCSA-N 301.883 5.197 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2344398952 ZIMLTCGIWQOBPX-INIZCTEOSA-N 324.306 5.435 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(Br)cc(C(C)C)c1 2344419109 FJHSEEDBZGCBGO-KRWDZBQOSA-N 323.274 5.748 30 10 DKEE C=CCSC[C@H](NCCC)c1ccc(Cl)c(C)c1Cl 2353128470 VRXVQGFWCPRSIU-AWEZNQCLSA-N 318.313 5.262 30 10 DKEE C=CC[C@H](C)Sc1ccc(C)c(Cl)c1CNCC(C)C 2360726201 ICQAJJQAJKVGKV-AWEZNQCLSA-N 311.922 5.451 30 10 DKEE C=CC[C@H](CNCC(C)C)Cc1ccc(Cl)c(Cl)c1C 2364220072 PLBWOXREAYEOKY-AWEZNQCLSA-N 314.300 5.282 30 10 DKEE C#CCCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2364549691 YAYVCOVUWIIUHC-INIZCTEOSA-N 312.284 5.536 30 10 DKEE CCN[C@H](CC#CC(C)(C)C)c1c(Cl)cc(F)cc1Cl 2366398654 BRNZFSXJKCMQBL-CQSZACIVSA-N 316.247 5.223 30 10 DKEE O=C(/C=C\c1ccc(Cl)cc1)c1ccc2ccccc2c1O 33414221 FSDAZTFQWAZVCC-GHXNOFRVSA-N 308.764 5.095 30 10 DKEE C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]23C)C1 33649254 QMZKBAQNFAMESG-GBMAXXPESA-N 316.485 5.295 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1 59291232 JEIBRLHAPQKXKE-INIZCTEOSA-N 302.289 6.005 30 10 DKEE CC(C)(C#N)CCCOc1c(Cl)cc(Cl)cc1Cl 87608988 SGTMZTBKVJSVHZ-UHFFFAOYSA-N 306.620 5.356 30 10 DKEE O=C(/C=C/Nc1cccc(Cl)c1)c1ccc2ccccc2c1 108998854 HKWNPQWGEPYKFF-ZHACJKMWSA-N 307.780 5.302 30 10 DKEE CCCCCCCCCCNc1cc(Cl)ccc1Cl 110153856 QSOUTCNEBMOQTI-UHFFFAOYSA-N 302.289 6.546 30 10 DKEE CCCCCCCCC(=O)[C@H](C#N)c1c(F)cccc1Cl 115858030 AAYZDPIOPKKGHP-ZDUSSCGKSA-N 309.812 5.406 30 10 DKEE CCCCCCCCCCCCc1cc(O)ccc1C(=O)O 140750353 QISFCJDRAHWVEG-UHFFFAOYSA-N 306.446 5.554 30 10 DKEE CCCCCCCCOc1cccc(Br)c1C#N 168624963 NKBGSMWQSIUYSL-UHFFFAOYSA-N 310.235 5.060 30 10 DKEE C[C@H](Nc1cccc(CC#N)c1)c1cccc(Cl)c1Cl 313413058 UZRAIIUTJBLZOW-NSHDSACASA-N 305.208 5.233 30 10 DKEE CC[C@H]1CC[C@](C#N)(Cc2ccc(C)c(Br)c2)C1 314199841 ONYAZFKZBQKCMR-XJKSGUPXSA-N 306.247 5.020 30 10 DKEE CCCCCCCN[C@@H](C)c1sccc1Br 703735357 RWKCMGZODBAJET-NSHDSACASA-N 304.297 5.132 30 10 DKEE Fc1ccc(NN=Cc2ccc(Oc3ccccc3)cc2)c(F)c1 1088739630 FRRQQZYKYWJGPN-UHFFFAOYSA-N 324.330 5.203 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cc(F)ccc1Cl 1892438720 CUUOTJFZKZWAER-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE CC=C(CC)C(=O)c1ccc(-c2ccc(Br)cc2)o1 1892816415 AEAWTRPZFGFZLA-UHFFFAOYSA-N 319.198 5.248 30 10 DKEE CCCCCCCCC=CCCCCCCCC1=NC[C@@H](C)O1 1933288720 NAGNXDBJZOWMCT-HXUWFJFHSA-N 321.549 6.841 30 10 DKEE C=CCC[C@H](NCCC)c1cscc1OCc1ccccc1 1934836658 VLKLVCLMXZPTBL-SFHVURJKSA-N 315.482 5.334 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@@H](CC)NCC)cc1 2013173334 BPZBAVBYLOIWIO-JOCHJYFZSA-N 322.496 5.330 30 10 DKEE CC(C)CC[C@@H](C)[C@@H](C#N)c1ccc(F)cc1Br 2065479401 IBWNATJRPPCVHT-BXUZGUMPSA-N 312.226 5.268 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)c(F)cc1F 2179364932 HXYNEGBVZFIVGT-MRXNPFEDSA-N 303.824 5.629 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1c(Cl)cccc1Cl 2197140322 SACWSRWJDKUENZ-QGZVFWFLSA-N 306.236 5.357 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(OC)c(Cl)c1Cl 2203425096 CENGQQVKAPOWKO-ZDUSSCGKSA-N 318.288 5.752 30 10 DKEE COc1ccc(OCCCCCCCCCS)c(Cl)c1 2207253501 VPJLSHBPASFDKC-UHFFFAOYSA-N 316.894 5.388 30 10 DKEE Cc1cc(C#N)ccc1COc1c(C)cc(Cl)cc1Cl 2232602946 QQNAQPGSJWEYNV-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C=C(C)CCCC[C@H](O)c1cccc(OCc2ccccc2)c1 2244644472 NGVKTEKGSBDROW-NRFANRHFSA-N 310.437 5.436 30 10 DKEE C=CCCCCCCCSc1ccc(Cl)c(C(=O)O)n1 2287082316 DGGRHYQZQJMADR-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE CCCCCCCCNCc1csc(C)c1Br 2303755622 VALDFXYAJAKANT-UHFFFAOYSA-N 318.324 5.269 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(CC)cc1 2330249314 UHTHPKBHXGIFMH-UHFFFAOYSA-N 301.817 5.233 30 10 DKEE CCCCCCCCC(=O)c1cc(F)c(Cl)cc1Cl 2349914027 AQXPIORBISPSTK-UHFFFAOYSA-N 305.220 6.066 30 10 DKEE Cc1c(C[C@]2(C=O)CCCC23CCC3)ccc(Cl)c1Cl 2364019210 SZZMAQFIOZCJTI-KRWDZBQOSA-N 311.252 5.384 30 10 DKEE N#CC1(CCCc2cc(Cl)cc(Cl)c2)CCCCCC1 2366898109 DUGNPZNEOBNZJV-UHFFFAOYSA-N 310.268 6.180 30 10 DKEE Cc1c(Cl)cccc1/N=C/c1ccc(OC(F)(F)F)cc1 250831 IUMCHHJQXXWSHA-AWQFTUOYSA-N 313.706 5.298 30 10 DKEE Cc1ccc(C#N)c(Oc2cc(Cl)c(Cl)cc2Cl)n1 43400065 WWGIBURUUFAAAI-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl 83194267 HDJJRKJPNQKVBT-VMPITWQZSA-N 316.187 5.371 30 10 DKEE Clc1ccc(/N=C2\SCc3cc4ccccc4cc32)cc1 100359628 DYILAYTXPMJMHW-ZZEZOPTASA-N 309.821 5.818 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(OC)cc1Cl 115856923 XEMYYCPKVWZAML-GOSISDBHSA-N 311.897 5.750 30 10 DKEE CCCCCCC[C@H](CNCC(C)C)c1ccccc1Cl 118863612 NJSYQPZRADCHFO-QGZVFWFLSA-N 309.925 6.030 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2C)C1 222880160 YKIPPVNLOGTTMF-NUJGCVRESA-N 301.499 5.832 30 10 DKEE CC(C)c1ccc(Oc2ccc(C#N)c(Br)c2)cc1 228200055 ZXFAVOFQYOZBSE-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)/C=C/CCCCCC 238188343 VRRLBKVBZSQYFR-ZWKQNVPVSA-N 307.478 5.491 30 10 DKEE Cc1cc(C)cc(N=Cc2ccc(OCc3ccccc3)cc2)c1 252461616 NBAWQEQEEIJWJI-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(OCc2ccccc2)cc1 309652678 APWHNYSIOWSQGZ-NRFANRHFSA-N 310.437 5.436 30 10 DKEE CCCCCCCCCNCC[C@@H](C)N(C)Cc1ccccc1 379639075 VLVNTGKWEKOBHC-HXUWFJFHSA-N 318.549 5.237 30 10 DKEE C=CCCCCC[C@H](NCC)c1c(C)cccc1Br 381907970 SLHOFVRXUDNXQX-INIZCTEOSA-N 324.306 5.545 30 10 DKEE C[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698379126 RQWVQEQNBXFOOV-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698913219 ZENPYKRYUHKPRO-KRWDZBQOSA-N 322.493 5.419 30 10 DKEE Cc1cccc(C)c1C#Cc1cc(Cl)ccc1Br 1614822383 RQOFBYCIKGEUNF-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE CCCCCCC[C@@H](O)c1cccc(SC(F)(F)F)c1 1912932242 SKABZPWLBCORKP-CQSZACIVSA-N 306.393 5.692 30 10 DKEE CCCCCCC[C@](C)(O)c1scc(Br)c1C 1922958928 CMEHDFAJWLSRPD-AWEZNQCLSA-N 319.308 5.387 30 10 DKEE C=CCCCCCCOc1cc(F)ccc1Br 2026018009 VNBHHHWDXKCCFM-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE CCCC[C@](C=O)(CC)[C@@H](C)c1ccc(Br)cc1 2045986360 GCIKWJSSGJRPGF-BBRMVZONSA-N 311.263 5.338 30 10 DKEE CC(C)C1CCC(C#N)(Cc2snc(Cl)c2Cl)CC1 2110928790 FJSKZHDXEGPHPG-UHFFFAOYSA-N 317.285 5.349 30 10 DKEE C=CCCCC[C@H](NCCC)c1c(Cl)cncc1Cl 2123079721 GUCRQYJVGCTJKX-AWEZNQCLSA-N 301.261 5.176 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(C)c(Br)cc1C 2136382567 AJNJTBCUEYMPSJ-YVEFUNNKSA-N 324.306 5.319 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1F 2139416533 UWZYEOJKWSVAHV-GXFFZTMASA-N 304.236 5.385 30 10 DKEE C[C@@H](NCC1(C#N)CCCCC1)c1ccc(Cl)cc1Cl 2166294685 SGMOSSFLVIEKRN-GFCCVEGCSA-N 311.256 5.118 30 10 DKEE O=C[C@]1(Cc2ccc(Cl)c(Cl)c2)CCCCC12CCC2 2173673119 LQWPRIXNJGFQAO-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE C=C(F)C[C@@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2182513862 UVLSNXFLKCWWGX-CQSZACIVSA-N 309.837 5.592 30 10 DKEE Cc1cccc(C#N)c1Nc1cc(Cl)c(F)c(Cl)c1F 2200730574 QWWMMXBJXZYYLP-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C=CCCCCCCC[C@@H](NCC)[C@@H](C)OCc1ccccc1 2211147053 VMYIIIJDVMBECE-TZIWHRDSSA-N 317.517 5.487 30 10 DKEE CCCCCCCCCOc1nc(Cl)nc2ccsc12 2239438538 FHZIKICLFCADBA-UHFFFAOYSA-N 312.866 5.474 30 10 DKEE CCCCCCCC[C@](C)(N)c1ncc(C(F)(F)F)s1 2240611076 RGMGADQQDSKZOR-ZDUSSCGKSA-N 308.413 5.086 30 10 DKEE CCCCCCCC[C@@H](C)Nc1c(Cl)cc(F)cc1Cl 2240653779 KLONLFYTOQKKMP-GFCCVEGCSA-N 320.279 6.684 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1cccc(Cl)c1Cl 2289881040 KHWJWBMUIUMXCC-MRXNPFEDSA-N 310.268 5.228 30 10 DKEE CCCCCC#CC[C@H](NC)c1ccc(C(F)(F)F)s1 2295010698 GXELMYIKKUTVOD-LBPRGKRZSA-N 303.393 5.001 30 10 DKEE O=C(C=Cc1ccccc1)C=Cc1ccc(-c2ccccc2)o1 2297451813 AIDDQMLIZRUOOF-UHFFFAOYSA-N 300.357 5.242 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1cc(Cl)c(Cl)cc1Cl 2321139204 XRTIQQKRZBZJIR-CYBMUJFWSA-N 306.664 5.510 30 10 DKEE CCCCCOc1ccc(C=NNc2ccc(C)c(C)c2)cc1 2322922700 BIABTJXWERSMOF-UHFFFAOYSA-N 310.441 5.318 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1C 2339007204 LQYGCNLAEDTFGE-OAHLLOKOSA-N 302.289 5.923 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1C 2339062802 LHZUCNBCOYNCEF-HNNXBMFYSA-N 301.257 5.862 30 10 DKEE CCCCCC#CC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2349797967 IGDUSSBAKXKAPL-OAHLLOKOSA-N 303.204 5.140 30 10 DKEE Cc1c([C@H](O)[C@]2(C#N)CCC[C@@H](C)C2)ccc(Cl)c1Cl 2366011679 FVPCXQWWUCDKTL-HPEXNQPKSA-N 312.240 5.055 30 10 DKEE N#Cc1cccc(CNc2c(Cl)cc(Cl)cc2Cl)c1 20505190 ZHTOTTBOOLISPV-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE O=C(/C=C\c1cccs1)c1ccc(Sc2ccccc2)cc1 33926768 MCXVIWNDSYVMSR-SEYXRHQNSA-N 322.454 5.795 30 10 DKEE C/C(=N\O)c1cc(C)ccc1OCc1ccc(Cl)cc1Cl 35629190 SDXLUADBQAHRQB-YBFXNURJSA-N 324.207 5.079 30 10 DKEE C=C(C)Cn1c([C@@H](CC)Oc2cccc(C)c2)nc2ccccc21 39900135 IKSJUAQAILGDLR-HXUWFJFHSA-N 320.436 5.451 30 10 DKEE COc1c(Cl)cc(/C=N/Nc2ccc(C)c(C)c2)cc1Cl 82252414 LVBBMMGRONFSJA-DJKKODMXSA-N 323.223 5.065 30 10 DKEE CCCCCCCOc1ccccc1CCCNCCCC 106534422 OHHSQRLUPHTQKU-UHFFFAOYSA-N 305.506 5.358 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(Cl)cccc1Cl 114873873 KMICUEJPESPTNP-OAHLLOKOSA-N 303.273 6.168 30 10 DKEE CCCCCCC[C@]1(C)CCNC[C@H]1c1ccc(Cl)cc1 118849596 WXBGGCWBKQHCSC-RBUKOAKNSA-N 307.909 5.784 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@H]1CCCc2sc(Cl)cc21 127796360 WCVBKCXBUHHMDR-ZDUSSCGKSA-N 320.820 5.210 30 10 DKEE CCCCCCCCCCNC1=NCC2(CCCC2)CS1 160247508 HSJZRMOGVQTHAG-UHFFFAOYSA-N 310.551 5.380 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1F)c1cc(Cl)ccc1Cl 168287954 VOHCMEGEZGDSBV-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@@H](N)Cc1cccc(Cl)c1Cl 228979223 LZXKWWVSTYKXBN-CQSZACIVSA-N 302.289 5.614 30 10 DKEE N#Cc1ccc(Nc2ccccc2Br)c2ccccc12 232463936 KEUQRGFIEXTOEF-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(N=Cc2ccccc2)cc1 257350910 AWZUBXVXZYOHJJ-VOVIPDMASA-N 311.384 5.333 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1cc(Cl)cc(Cl)c1 387476512 UTCACVBKGZABEO-INIZCTEOSA-N 316.272 5.015 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H](C)OCc1ccccc1 404373706 XLTRDBYYNZKSFY-UYAOXDASSA-N 305.506 5.320 30 10 DKEE CC(C)[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 698359767 QIODEMYOASEFEM-VQIMIIECSA-N 322.493 5.131 30 10 DKEE CC(C)CC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698442145 DLIMANKBTJJGPN-IBGZPJMESA-N 316.445 5.147 30 10 DKEE CCCCCCCN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 703739776 PGIOHVDDRHVUMO-OAHLLOKOSA-N 316.272 5.377 30 10 DKEE CCCCCCCNC1CC(c2cccc(Br)c2)C1 705841719 VJDUWWBBZWIBCJ-UHFFFAOYSA-N 324.306 5.255 30 10 DKEE CCCCCCCCCC[C@H](N)c1cscc1C(F)F 717218556 VOMJOXKBZWXYCI-HNNXBMFYSA-N 303.462 6.216 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccc(Br)c(F)c2)C1 721909147 FMOHAILNXDXLQZ-LRDDRELGSA-N 324.237 5.241 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 1874595629 WHZULDCYDQKVFY-IZZDOVSWSA-N 312.796 5.191 30 10 DKEE C=C(C)[C@@H](NC)c1ccc(-c2ccc(Br)cc2)s1 2045756382 VXNJUJZTDLCABF-OAHLLOKOSA-N 322.271 5.014 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1cccc(C(C)C)c1 2070123615 NORSOISMTPTANL-KRWDZBQOSA-N 320.480 5.645 30 10 DKEE Cc1cc(NCCCCC(C)(C)C#N)c(C)cc1Br 2138912789 TUBRVVKDOJMHNQ-UHFFFAOYSA-N 323.278 5.198 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H](O)c1cc(Cl)cs1 2148601983 QCTIVBHOJNDPFT-HOCLYGCPSA-N 317.926 5.164 30 10 DKEE CC#CCC[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164167601 DMVHQYDTTFKJEL-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=CC[C@@](C)(NCc1sc2ccccc2c1Cl)C(F)F 2182196465 YIBRGVQVTSGMLV-OAHLLOKOSA-N 315.816 5.244 30 10 DKEE CCCCCCCCCCCCN(C)[C@H](C)CSCC 2195916533 JQCHCEMWPDCKAQ-GOSISDBHSA-N 301.584 5.981 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1ccc(Cl)s1 2235520477 ZUSUBTJAUZZQOC-HNNXBMFYSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCCNCCc1ccc(Cl)cc1Cl 2235524572 RIFNXZJSLLLVPE-UHFFFAOYSA-N 314.300 5.652 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cc(C(F)(F)F)ns1 2240610158 LKBDNWLVIGZQNJ-CYBMUJFWSA-N 308.413 5.086 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cc(F)c(Br)cc1Cl 2248028093 FBFMJCXJEXGNJN-MRVPVSSYSA-N 319.601 5.027 30 10 DKEE N#Cc1sccc1CSc1cc(Cl)ccc1Cl 2252637534 GDIRXVFDKAVEEM-UHFFFAOYSA-N 300.235 5.219 30 10 DKEE CCCC(CS)(CCC)CSCC1CC2(CCC2)C1 2268468381 WDLQBWSHAXZQOK-UHFFFAOYSA-N 300.577 5.816 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Cl)c(OC)cc1Cl 2271759645 WLYXFPGWNOTPIC-UHFFFAOYSA-N 301.213 5.321 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCCC(F)(F)F)C1 2283694450 ARFWCBXDZIQUMM-XQQFMLRXSA-N 307.425 5.417 30 10 DKEE CCCCCCCC[C@@](C)(O)c1csc(C(C)(F)F)n1 2289400657 OCLVWLHBAZXLRI-CQSZACIVSA-N 305.434 5.213 30 10 DKEE Cc1ccsc1C=CC(=O)c1ccc(-c2ccccc2)cc1 2294299891 LQIVBKISBGGESP-UHFFFAOYSA-N 304.414 5.620 30 10 DKEE CCC(=O)C=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2296515277 QGFRMJPVWUZMCM-UHFFFAOYSA-N 318.775 5.050 30 10 DKEE C=CCOc1ccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cc1 2297562015 CJCLXVWBWFOHGQ-UHFFFAOYSA-N 322.448 5.050 30 10 DKEE CCCCCCC[C@@H]1CCC(=Cc2cccc([N+](=O)[O-])c2)C1=O 2297563103 ZRIKPMJDLRUGKA-MRXNPFEDSA-N 315.413 5.318 30 10 DKEE C=CCC(CC=C)SCc1cccc(C)c1Br 2298918267 WBPIFGYCYBPEDP-UHFFFAOYSA-N 311.288 5.512 30 10 DKEE C=C1C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C=Cc1ccoc1 2333257318 UTIGHTZWXIGRIJ-AJYBTWMASA-N 300.442 5.062 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2335361661 SFFJFWHGEFXHKA-HZMBPMFUSA-N 304.236 5.385 30 10 DKEE CC1(C)CC(CS)(CSC[C@@H]2CCCCC2(F)F)C1 2345008656 SDUIBPBUATWFJU-LBPRGKRZSA-N 308.503 5.281 30 10 DKEE CC(C)c1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1 16676488 UIBYFMPXJVYQOJ-UHFFFAOYSA-N 321.449 5.380 30 10 DKEE N#Cc1ccc(Cl)cc1N[C@@H](c1cccs1)C1CCCC1 37277989 MFSBUMODTXWDAU-QGZVFWFLSA-N 316.857 5.617 30 10 DKEE Cc1cc(C)c(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)c1 100033540 MAXKFTMPCZSKHZ-HZHRSRAPSA-N 315.416 6.155 30 10 DKEE CCCCCCCn1c(CCc2ccccc2)nc2ccccc21 101263453 MYOAQOGIZKEXEJ-UHFFFAOYSA-N 320.480 5.792 30 10 DKEE O=C1C=CC=C/C1=C1/Nc2ccc3ccccc3c2C2=C1CCC2 136133021 WWFGHQNMKLDOST-PYCFMQQDSA-N 311.384 5.152 30 10 DKEE CCCCCCC[C@H](NC)c1cccc(OC(F)(F)F)c1 164655605 POSOAMNNOKXWTB-HNNXBMFYSA-N 303.368 5.206 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(C)c(Br)c(C)c1 228389823 IKJJNLZJUHHJOA-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE CC1(C)OB([C@H]2C[C@@H]2c2cc(Cl)sc2Cl)OC1(C)C 307472956 ULXHNCKNLLAXGV-APPZFPTMSA-N 319.062 5.005 30 10 DKEE CCCCCCCCOc1ccc(Br)c(C)c1N 310750134 UYUBGRDGHWEZTK-UHFFFAOYSA-N 314.267 5.079 30 10 DKEE CCCCCCCCC[C@@H](Cc1csc(Cl)c1)NC 378987972 XERIWTUDTMBCDG-HNNXBMFYSA-N 301.927 5.673 30 10 DKEE CCCCCCC[C@H](C)N[C@@H](C)CCOCc1ccccc1 389940431 MJFHTBLKQGYKQL-OALUTQOASA-N 305.506 5.320 30 10 DKEE CCCCCCC[C@H](C)N[C@H](C)CCOCc1ccccc1 389940433 MJFHTBLKQGYKQL-RBUKOAKNSA-N 305.506 5.320 30 10 DKEE CCC(CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698470684 REZJSCIQGWKVFH-QGZVFWFLSA-N 316.445 5.065 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccsc1C(F)(F)F 707750095 GGJGXSGVLMHSIO-LLVKDONJSA-N 316.735 5.097 30 10 DKEE CC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 712343836 HINCAJCUOSUARD-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C=C1CCC(C[C@H](NC)c2ccc(Br)c(C)c2)CC1 724603367 VMKNAGKQBALOOG-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CCOc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1Cl 1874574819 HRJJQUUILRQIKD-VQHVLOKHSA-N 321.203 5.288 30 10 DKEE CCCCCCCCN(C)Cc1ccc(Cl)c(Cl)c1 1887074766 UTFIHNAWELXAEO-UHFFFAOYSA-N 302.289 5.786 30 10 DKEE C=C([C@@H](NC)c1cc(Br)c(Cl)s1)C(C)(C)C 1978527474 RJBHBPGGPKTWLB-SNVBAGLBSA-N 322.699 5.027 30 10 DKEE C[C@H](COCc1ccccc1)C[C@@]1(C#N)CCCCC12CCC2 1981841734 UXELHPMXGOVEKM-GHTZIAJQSA-N 311.469 5.484 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1sc(Br)cc1C 2000388394 SZEIQBIKMCSZFS-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE Cc1sc(Br)c(C(=O)C2=CC[C@H](C)CC2)c1C 2010603838 AZUGQFPDCCFRGM-QMMMGPOBSA-N 313.260 5.057 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(Br)cc1Cl 2011357053 LHVUDQSSHGIDOA-CYBMUJFWSA-N 320.633 5.017 30 10 DKEE N[C@H](CC#CC1CCCCC1)c1cc(Cl)sc1Cl 2032528228 ZGTXMPRBKAXWBN-GFCCVEGCSA-N 302.270 5.029 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1cc(Cl)c(Cl)s1 2037458655 YBNHKNKLQKNQQX-JTQLQIEISA-N 317.628 5.385 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(C)c(Br)o1 2059116213 ZFQDMTLYYDXXDL-CYBMUJFWSA-N 314.267 5.138 30 10 DKEE CSc1cc(C(F)F)c(C(F)(F)F)c(C(F)(F)F)c1 2060206017 MLYUCGCPYNYQEU-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1cc(Cl)sc1Cl 2092187456 FKFBYDQRQMEKMI-WCQYABFASA-N 324.317 5.166 30 10 DKEE C=C([C@H](NC)c1cc2cccc(Br)c2o1)C(C)(C)C 2096634778 WQRWGUDGUVTTRL-AWEZNQCLSA-N 322.246 5.058 30 10 DKEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1ccc(Cl)s1 2128013912 SCXRTUKPFWORHM-ZETCQYMHSA-N 315.200 5.239 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@@H](O)c1ccc(Cl)s1 2148582291 KJZJJIUHAQBWNU-CZUORRHYSA-N 317.926 5.164 30 10 DKEE C[C@@H]1C[C@](C#N)(CC2CCC(C(F)(F)F)CC2)CCS1 2159721295 VBQFAFPASXNTMO-RYSNWHEDSA-N 305.409 5.171 30 10 DKEE CCCN[C@H](CC#CC1CCCCC1)c1ccsc1Cl 2164276711 QDGDLKKFHITIIW-MRXNPFEDSA-N 309.906 5.416 30 10 DKEE CCCCC[C@@H](CC)N(C)CCCCCCCCCS 2193696197 NHFCCKHDRONHIP-GOSISDBHSA-N 301.584 5.938 30 10 DKEE C=C(C)C[C@H](NCCC)c1sc(C)c(Br)c1C 2213744143 IKPXLAXGNSYXSU-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE CCCC[C@](C#N)(CC)c1cc(Cl)c([N+](=O)[O-])cc1Cl 2234466070 VPIVLGVJGKNINZ-AWEZNQCLSA-N 315.200 5.263 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1cc(Cl)sc1Cl 2273968236 VTHFENVSVXWPMY-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE N#Cc1ccc(Cl)cc1SC1CC2(C1)CC1(CCC1)C2 2289703848 JXQOYEWBWXSVPZ-UHFFFAOYSA-N 303.858 5.417 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Cl)cc(Br)c1 2304057398 CUCBLYHFCZQLAN-KBPBESRZSA-N 316.670 5.095 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2338895514 PMXADQXPRWWFGH-BXUZGUMPSA-N 300.273 5.035 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(Br)c(C)c1 2344384040 KHLGCKLTLQLHEF-IRXDYDNUSA-N 324.306 5.401 30 10 DKEE C=CC[C@@H](C)SCCCCCCCCCCC(=O)OC 2360342825 ISSOIEQDIYLQSJ-MRXNPFEDSA-N 300.508 5.368 30 10 DKEE C=CC[C@@H]1CCC[C@H]1NCc1ccc(-c2cccs2)s1 2362234557 DOKQSFDPVRCYTQ-UKRRQHHQSA-N 303.496 5.311 30 10 DKEE Cc1c([C@H](O)CC=CC#CC(C)(C)C)ccc(Cl)c1Cl 2364531169 FEBKWHMHVPAIKL-OAHLLOKOSA-N 311.252 5.331 30 10 DKEE CC[C@H]1CC[C@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2368118726 XABCPLNGHUYSOT-NWDGAFQWSA-N 300.311 5.140 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2377334891 NINVEQHDBHJLPO-BZNIZROVSA-N 318.263 5.776 30 10 DKEE Cc1cc(C(=O)/C=C/c2cccc(OC(C)C)c2)ccc1Cl 83193037 PZNHZLPRWOWRHP-JXMROGBWSA-N 314.812 5.332 30 10 DKEE CC(C)Oc1ccc(C(=O)/C=C/c2ccc(F)cc2)c(Cl)c1 83193922 BSNLVXNJEGPPTO-BJMVGYQFSA-N 318.775 5.162 30 10 DKEE Cc1ccc(OC(C)C)c(C(=O)/C=C/c2c[nH]c3ccccc23)c1 83205135 QYMUZKRASVAGHR-MDZDMXLPSA-N 319.404 5.160 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(OCC(C)C)cc1 100048379 UYCSEKCOCHYYSI-SFHVURJKSA-N 305.506 5.733 30 10 DKEE N#Cc1cc(Cl)ccc1Sc1ccccc1Br 110354191 OQZQBVKRMNFSMN-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCC(=O)c1sccc1Br 128332601 GVQPJLDTROSEFD-UHFFFAOYSA-N 303.265 5.444 30 10 DKEE CC(C)c1c(C#N)oc2c(C(C)C)cc(Br)cc12 136481889 LHTBWBAQTUBQFP-UHFFFAOYSA-N 306.203 5.314 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc(Cl)ccc1C 158931079 LVZHCIRQUBJTDI-IBGZPJMESA-N 309.925 6.440 30 10 DKEE C=CCN(c1ccc([C@@H](C)NCCC)c(Cl)c1)C(C)(C)C 162274460 UGXLJGDYOMDROK-CQSZACIVSA-N 308.897 5.192 30 10 DKEE CC[C@H](Nc1ccc(Br)cc1C#N)C1CCCCC1 229171890 ZGNMLIZOUMDQGB-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE N#Cc1cc(F)c(Nc2cc(Cl)c(F)c(Cl)c2)c(F)c1 232039647 YBESDQQUUGJMAL-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCCC[C@H](NCCC)c1ccoc1Br 233124867 CLVWUDMDEQAVGY-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE CSc1cccc(SCc2ccccc2Cl)c1C#N 235057521 YPRUCBMDFDMDHY-UHFFFAOYSA-N 305.855 5.226 30 10 DKEE Cc1nc(Oc2ccc(Cl)c(Cl)c2)c(Cl)cc1C#N 311665206 GHOJJSKOQCROCG-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE CC[C@@H]1CCC[C@@](C=O)([C@@H](C)c2ccc(Br)cc2)C1 317350582 SXLFDRGWLJMYIV-JJRVBVJISA-N 323.274 5.338 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Cl)c(Cl)c1)C(F)(F)F 388261898 KZSJRMGSDDFXAF-GFCCVEGCSA-N 312.162 5.153 30 10 DKEE C=CC[C@H](CC)Nc1ccc(Br)cc1C(F)(F)F 393812138 XPELGXGQNPXELL-JTQLQIEISA-N 322.168 5.235 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc2c(c1)CCCC2 1990883821 WQOZKLSYQDGINL-UHFFFAOYSA-N 305.465 5.144 30 10 DKEE C=CCCCCCCN(C)Cc1ccc(Br)cc1 2085849263 JLUTTWUKJQJSFW-UHFFFAOYSA-N 310.279 5.017 30 10 DKEE C=C(Br)CCNc1ccc(Oc2ccccc2)cc1 2107183986 BWHYSOONNGDZDZ-UHFFFAOYSA-N 318.214 5.190 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C=O)CCCC(C)(C)C1 2112218234 SSUCBMDWKBINNW-CXAGYDPISA-N 323.274 5.338 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccc(C)c(Br)c1C 2123081744 ZOJWMYZNABMZTA-MRXNPFEDSA-N 324.306 5.463 30 10 DKEE C=C([C@H](N)c1ccc(-c2cccc(Cl)c2)s1)C(C)(C)C 2164002554 WMYBNFCYTYNQJX-INIZCTEOSA-N 305.874 5.671 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1nc(Cl)cs1 2196946211 DPSUDIQVWCHTSL-CQSZACIVSA-N 317.926 6.141 30 10 DKEE N#Cc1cc(F)c(Nc2ccc(F)c(Cl)c2F)cc1Cl 2200730899 WVGAGIWDVQACRU-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(-c2cccs2)s1 2206892318 QITDOYCVLBCFTE-CQSZACIVSA-N 305.512 6.003 30 10 DKEE C=CCCCCCCOc1ccc(Cl)c([N+](=O)[O-])c1Cl 2206894475 KNIKUEORBGGXQX-UHFFFAOYSA-N 318.200 5.417 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1cc2sccc2s1 2206904219 YXHXWFTZSBXPHV-INIZCTEOSA-N 308.468 5.092 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(Cl)cc1C(=O)O 2206985135 CYKAYFQOVCYMTM-UHFFFAOYSA-N 317.212 5.207 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](NCC)c1sccc1Cl 2207443927 FJGKHINYZBXQQJ-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE C=C[C@@H](CCCCC)OCc1ccc(F)c(Br)c1 2223290385 RAHNNCXQMTUCOU-ZDUSSCGKSA-N 315.226 5.240 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(C)cccc1Br 2227272840 FADFTBMDEOPFHD-INIZCTEOSA-N 324.306 5.674 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ccc(F)c(Cl)c1F 2280473665 BVLUFCJSLYHTEX-MRXNPFEDSA-N 304.808 5.576 30 10 DKEE N#Cc1cccc(Br)c1Oc1cccc2ccccc12 2285217140 QIYLZKSTWFUTQZ-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE C=CCCCCCCCSC[C@@](O)(C(C)C)C(F)(F)F 2287097618 XXDKACAEHKTMOY-CQSZACIVSA-N 312.441 5.196 30 10 DKEE CN[C@@H](C#CC1CCCCC1)c1cc2sc(C)cc2s1 2289786802 MFESTXUMJJYSEI-AWEZNQCLSA-N 303.496 5.115 30 10 DKEE CC(C)CC[C@@]1(CCN=Cc2ccco2)CCO[C@H](C(C)C)C1 2297475090 FKQSUVMEINHMLZ-VQTJNVASSA-N 319.489 5.346 30 10 DKEE CCCCCCC[C@@H](NC)c1c(Cl)sc(Cl)c1C 2314531031 QLPKIJWPPSLHCZ-LLVKDONJSA-N 308.318 5.984 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1ccc(Br)cc1 2338743186 CLFXCWTZNRAGMI-KRWDZBQOSA-N 322.290 5.258 30 10 DKEE CCCCCCCC[C@H](O)c1c(Cl)cc(C)cc1Cl 2352848694 CTVUWWIKLHDQRC-HNNXBMFYSA-N 303.273 6.086 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1 36930615 KHNOHIMYZFLJCB-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE N#Cc1ccc(NCc2c(Cl)cccc2Cl)cc1Cl 36963041 BPYJDSJMWMDROS-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=CCn1c(-c2ccccc2)nc2ccc(SCCC)cc21 43255838 LZKQUPCXXNJIOM-UHFFFAOYSA-N 308.450 5.391 30 10 DKEE C[N+](CC#Cc1ccccc1)(C1CCCCC1)C1CCCCC1 59383584 JWYTZOLSCVFYQU-UHFFFAOYSA-N 310.505 5.150 30 10 DKEE C(=N/n1c2ccccc2c2ccccc21)\c1ccc2ccccc2c1 72266046 MBLNWPJOVJQKOL-LFVJCYFKSA-N 320.395 5.830 30 10 DKEE COc1cc(C)c(Cl)cc1C(=O)/C=C/c1ccc(Cl)cc1 83193195 DEBQYULEZHPALU-VMPITWQZSA-N 321.203 5.207 30 10 DKEE Cc1ccc(C(=O)/C=C\c2cc3ccccc3c3ccccc23)cc1 90377782 FOUVUBTWCIZYHG-PFONDFGASA-N 322.407 6.198 30 10 DKEE CCCC(CS)(CCC)COCc1cccc(Cl)c1 94585877 XXGWVUYIDKTCDG-UHFFFAOYSA-N 300.895 5.373 30 10 DKEE CCCCCCCCCCCCC(=O)CS[C@@H](C)CC 115645811 ALPVNKPFDZAZMT-KRWDZBQOSA-N 300.552 6.398 30 10 DKEE CCCCCCCC(=O)c1cc(C)c(Br)s1 126742685 MOQCDZTWYDVZNZ-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1Cc2ccccc2S1 135629795 LTXUAHOJSQZXMY-IBGZPJMESA-N 304.499 5.803 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(C)c(F)cc1Cl 156395191 XGMKLNUVDGBDJA-GOSISDBHSA-N 313.888 6.189 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc2ccc(F)cc2s1 157897164 FDAVRDBTFZSQSH-MRXNPFEDSA-N 307.478 6.181 30 10 DKEE CCCCCCCC(=O)Cc1ccc(OC(F)(F)F)cc1 164942477 OFAPRDLHTUTCLN-UHFFFAOYSA-N 302.336 5.057 30 10 DKEE CCCCCCCCC(=O)c1cccc(C)c1Br 232924641 VUJDDVNYJZMAHL-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CCCCCCCC[C@@H]1CNc2ccc(Br)cc21 232939280 BIWUHUJOAXUWCY-CYBMUJFWSA-N 310.279 5.709 30 10 DKEE C=CCCCCCC(=O)c1ccc(Br)c(Cl)c1 236034939 FPUFLGHSGYOEQD-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](CCC)CC1 698956687 BYIGSFSOVIYYDK-VQIMIIECSA-N 320.477 5.052 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1cc(Cl)c(Cl)c(Cl)c1 829179591 NQISDQPXQFVQFE-QMMMGPOBSA-N 305.636 5.387 30 10 DKEE CCN(CC)c1ccc(C=Nc2ccc(N(CC)CC)cc2)cc1 1084003267 ACCLOLTYOSKUSN-UHFFFAOYSA-N 323.484 5.130 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCC1CCCC1)NCCC 1922071677 MPUSCKUNLSQNES-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE Cc1sc(Br)c(C(=O)C=C2CCCCC2)c1C 2007989853 ANMGPAADMOPKKR-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cscc2Br)CC1 2010784782 QBXJQZCBAIPKEP-SNVBAGLBSA-N 313.260 5.076 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 2081458025 VDQJGEYYFRZMHX-MRVPVSSYSA-N 303.616 5.576 30 10 DKEE CCCC[C@@](C#N)(CC)[C@](C)(O)c1cc(Cl)sc1Cl 2108209394 RXSIJVOACVYLLF-ZIAGYGMSSA-N 320.285 5.373 30 10 DKEE C=CC1(C[C@@H](NCCC)c2snc(Cl)c2Cl)CCC1 2111711804 QYZZFDNCZHRNSM-SNVBAGLBSA-N 319.301 5.237 30 10 DKEE CCC1(C)CCC(Nc2cc(Br)ccc2C#N)CC1 2114870279 XSNDNRLGHAGEPF-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CCCCCCCCCC(=O)c1snc(Cl)c1Cl 2142439002 IQYKSBUIRRDIRW-UHFFFAOYSA-N 320.285 5.939 30 10 DKEE CN(CCCCCCCCCS)C[C@](C)(F)C(C)(C)F 2173198917 CTTUONMCWNLGEC-INIZCTEOSA-N 309.510 5.055 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)c(C)cc1Cl 2201357545 QBEANZKINQNJDU-UHFFFAOYSA-N 315.284 6.625 30 10 DKEE C=CCCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1F 2206903888 VXNGLKUELIYPMM-INIZCTEOSA-N 318.263 5.833 30 10 DKEE CCCCCCCC[C@@H](C)NCc1ccc(Cl)c(Cl)c1 2240643749 BKSYBQAHFVHWCZ-CQSZACIVSA-N 316.316 6.222 30 10 DKEE Cc1c(Br)sc(C(=O)C2=CCCCCC2)c1C 2247215660 DCBZMDBCYGGFFH-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE Cc1cc(Br)cc(C)c1NCC=CC#CC(C)(C)C 2268826571 XWCYEDFGGBYFRN-UHFFFAOYSA-N 320.274 5.084 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Cl)c(Cl)c1 2284111504 VJUCCZURRPVARJ-INIZCTEOSA-N 310.268 5.250 30 10 DKEE CCCCCCCCCC[C@](C)(OCCN)C1(Cl)CC1 2293503553 BTUYUUHTUGZAMY-INIZCTEOSA-N 303.918 5.023 30 10 DKEE CCCCCCCCC[C@H](N)c1cnsc1Br 2300285123 PHZXOUOZKJONLE-LBPRGKRZSA-N 319.312 5.046 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(Br)c1Cl 2304122935 QKCLZBHWJDWSHE-KBPBESRZSA-N 317.654 5.128 30 10 DKEE C=C(Cl)C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2318601488 JWYHICKIZDMNGA-CQSZACIVSA-N 306.664 5.047 30 10 DKEE c1ccc(C(=NOCc2cccc3ccccc23)C2CC2)cc1 2330296075 CDJZLJDWYUAAON-UHFFFAOYSA-N 301.389 5.171 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339147840 ALGXXJSMRLNHQW-BZNIZROVSA-N 300.273 5.555 30 10 DKEE C=CCC(CC=C)SCc1csc(CNC(C)(C)C)c1 2360336607 LNCOAMSBFUFAOG-UHFFFAOYSA-N 309.544 5.390 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1ccc(C(F)(F)F)s1 2362219723 YRDLZSWSCMQKDE-SDDRHHMPSA-N 303.393 5.162 30 10 DKEE Cc1c([C@H](N)C#Cc2ccccc2Cl)ccc(Cl)c1Cl 2364544234 YCKUDGVBPKSEQH-OAHLLOKOSA-N 324.638 5.007 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1c(F)ccc(F)c1Cl 2370517570 CIBUNAONAZEYRL-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE Cc1ccc2nc(-c3ccc(C(C)C)cc3)c([C@@H](C)C#N)n2c1 31921352 ODJYELBYBNPKIG-HNNXBMFYSA-N 303.409 5.060 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C#N)cc1N 35675082 CKIRJZPVBOYOSW-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE CC(C)=C1Oc2cc(OCc3cc(C)ccc3C)cc(C)c2C1=O 41433567 PUJKSLKCGQCWBB-UHFFFAOYSA-N 322.404 5.060 30 10 DKEE CCCCCCCc1noc(N)c1-c1c(F)cccc1Cl 59211551 HUQSCPVQPLVFGM-UHFFFAOYSA-N 310.800 5.229 30 10 DKEE CCC1(CC)CC(C#N)(Sc2cccc(Br)c2)C1 90247894 GDIKKHIEQLSRRK-UHFFFAOYSA-N 324.287 5.404 30 10 DKEE CCCc1c(-c2c(Cl)cccc2Cl)sc(C#N)c1N 93074493 GBVCGVLXKXWNTP-UHFFFAOYSA-N 311.237 5.128 30 10 DKEE CCCCCCCCC[C@H](O)CCCCCCCC(=O)OC 100137099 QDFNTRIETZJNIC-SFHVURJKSA-N 314.510 5.392 30 10 DKEE CCCCCCCCCOc1ccc(C(=O)OCC)cc1OC 104742292 INHMNXCRTBYOLS-UHFFFAOYSA-N 322.445 5.001 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(F)c(F)c(F)c1 109730188 AALNZZMOEBNRQE-INIZCTEOSA-N 301.396 5.635 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1cc(F)ccc1F 109901047 WYRVGZVOXVITMV-LBPRGKRZSA-N 305.393 5.416 30 10 DKEE C=CCSc1ccccc1NC1CCC(C(C)(C)C)CC1 109901098 RZKXZZRLXGYCHA-UHFFFAOYSA-N 303.515 5.982 30 10 DKEE Cc1ccccc1CSc1ccc(C(F)(F)F)cc1C#N 110354460 AVPMVTRNXDNNER-UHFFFAOYSA-N 307.340 5.178 30 10 DKEE CCCCCCC[C@]1(C)CCNC[C@@H]1c1ccc(Cl)cc1 118849591 WXBGGCWBKQHCSC-RTBURBONSA-N 307.909 5.784 30 10 DKEE N#Cc1ccc(Cl)c(NC2CC(c3ccc(Cl)cc3)C2)c1 127779315 KUASBYVORPYDOX-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(OC(F)(F)F)cc1 159044717 NFUQLBCHOVSKIT-OAHLLOKOSA-N 303.368 5.336 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccc(Cl)s1 162300868 HPQHFKUPJOZMJE-AWEZNQCLSA-N 301.927 6.193 30 10 DKEE N#Cc1ccc(OCc2c(Cl)cccc2Cl)cc1Cl 226059580 KIFCFCTWKSOEHX-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE C=CCCCCC[C@@H](Cc1ccccc1Br)NCC 233537992 UZOGZYOKJKEWJK-INIZCTEOSA-N 324.306 5.106 30 10 DKEE Fc1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1F 254815820 HIBDGTVASNNUMU-UHFFFAOYSA-N 308.331 5.459 30 10 DKEE Cc1ccc(CC2(C#N)CCCCCCC2)cc1Br 314086741 YIJVFQIOSJNPNJ-UHFFFAOYSA-N 320.274 5.554 30 10 DKEE C=C(CC)C[C@H](NC)c1cc(Cl)c(C)cc1Br 379824858 URTCNPRQPTZDBF-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE CCc1ccc(C#Cc2cc(Br)ccc2Cl)cc1 1614703548 GAMQFVMOYYJKKF-UHFFFAOYSA-N 319.629 5.065 30 10 DKEE C/C(=N\OCc1ccccc1C)c1ccc(-c2ccccc2)cc1 1857936282 FFIKQUIMUCODHF-PTGBLXJZSA-N 315.416 5.603 30 10 DKEE CC(C)CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1900581280 UQXRTNKZIKTERX-LJQANCHMSA-N 322.493 5.275 30 10 DKEE C=C([C@H](NCC)c1cc(Cl)c(Cl)s1)[Si](C)(C)C 1950228938 HJGZEWSGXLIBTF-NSHDSACASA-N 308.350 5.139 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)c(Cl)s1)C(C)(C)C 2038533157 KHOPYLPZASIESM-GFCCVEGCSA-N 306.302 5.698 30 10 DKEE CCCCCC#CC[C@@H](NC)c1cc(Cl)c(Cl)s1 2083442340 KAPNSQUFLXKMPG-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(F)c(Br)c1 2085841316 GZQMTHCAOCQYQG-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=CCC[C@@H](C)N[C@H](c1cccs1)c1ccc(Cl)s1 2110808084 PKBXQYGMUXPZPC-IAQYHMDHSA-N 311.903 5.497 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Cl)c(Cl)cc1Cl 2136609789 SUXCUOUNAQUJRT-OAHLLOKOSA-N 322.707 6.181 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(F)c(Cl)c(F)c1 2201593823 DAWHRBKILCFPPX-OAHLLOKOSA-N 304.808 5.792 30 10 DKEE C=CCCCCCCCC[S@@](=N)(=O)CC(C)(C)C(C)C 2207374453 CALHOKDHOFENDM-HXUWFJFHSA-N 301.540 5.632 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](N)c1cc(Cl)ccc1Cl 2207451582 WAKSAOSESKJJGE-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C=CCCCC[C@@H](NC)c1sc(C)c(Br)c1C 2213747885 FBJYWPUNRGJUAO-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(F)c(C)cc1Cl 2232453675 YXSICTMGDHRKDV-KRWDZBQOSA-N 300.845 5.962 30 10 DKEE CC1(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)CCCCC1 2234054985 ZIPGTOSCXULJPV-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE CCN[C@H](CC=CC#CC(C)(C)C)c1cc(Cl)sc1C 2284099756 VGDOZBYQABNCPW-OAHLLOKOSA-N 309.906 5.356 30 10 DKEE C=CCCCCCCCS[C@@H]1CCC(F)(F)[C@H]1NCC 2287189398 MJLUBHOMRJDDOI-CABCVRRESA-N 305.478 5.022 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc(Cl)ccc1Cl 2287464876 DSGIEQYEKXSSPK-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE O=C1C(=Cc2ccc(C(F)(F)F)cc2)CC[C@H]2CCCC[C@@H]12 2297452563 BXTGKOZOKNKUSL-CZUORRHYSA-N 308.343 5.258 30 10 DKEE Cc1ccc(C=CC(=O)c2ccc(Nc3ccccc3)cc2)cc1 2297459898 RBKDISOEEGDDGF-UHFFFAOYSA-N 313.400 5.635 30 10 DKEE CCCCOc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O 2324245369 XAKHPKGVCLXEOO-UHFFFAOYSA-N 320.388 5.038 30 10 DKEE C=CC[C@H](C)OC(=O)c1sc2cc(Cl)ccc2c1Cl 2335110556 LKEVIZYAMXRKBD-QMMMGPOBSA-N 315.221 5.330 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1c(Cl)cc(F)cc1Cl 2340809728 YQKDSUUGLUHXLU-HNNXBMFYSA-N 302.220 5.161 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2344346656 VDLVXRXQQZGPET-OAHLLOKOSA-N 300.273 5.116 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1cccc(Cl)c1Cl)NC 2344349385 SHQZJUJLWHBBLG-ZBFHGGJFSA-N 300.273 5.116 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(OC)c(Cl)s1 2365817847 XXWXKUHFASNPMH-GFCCVEGCSA-N 318.914 5.055 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1csc(C(F)(F)F)c1 2370524640 HCZQAZHPLVIKFG-KGLIPLIRSA-N 305.409 5.410 30 10 DKEE C[C@H](c1cccc(Cl)c1)N(C)CC1(CS)CC(C)(C)C1 2371147317 MXOCUGVVFJYDBM-CYBMUJFWSA-N 311.922 5.069 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1cc(F)c(Cl)cc1Cl 2377365829 NBQCQVNODNPSNT-INIZCTEOSA-N 318.263 5.255 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 14465883 APCUYBLPUZMKNZ-NJSLBKSFSA-N 306.796 5.038 30 10 DKEE C#Cc1cccc(N[C@@H](C)c2c(Cl)ccc(F)c2Cl)c1 35789759 MZVQDMBUVWALDM-JTQLQIEISA-N 308.183 5.287 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc(OCC)cc2C)c1 83192950 YWTCGKPTXQXHCX-FMIVXFBMSA-N 324.420 5.079 30 10 DKEE SCC1(COc2ccc3c(c2)CCCC3)CCCCCC1 94585740 AYAVMPCSSLGNMK-UHFFFAOYSA-N 304.499 5.215 30 10 DKEE Cc1ccc(-c2ccc(C#Cc3ccc(C(C)C)cc3)s2)s1 148632369 PXGSRHYPMSWBEJ-UHFFFAOYSA-N 322.498 6.308 30 10 DKEE CCCCCCCCCCCCN(CCN)Cc1ccccc1 165196669 AYIWKYIKWGGGCH-UHFFFAOYSA-N 318.549 5.368 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CS[C@H](C)[C@@H](C)S1 300109144 PBHNWZLWVJPHQA-WCVJEAGWSA-N 304.565 5.114 30 10 DKEE CCCCCCCCN(C)Cc1cscc1Br 709831897 XXEQZOHERNDQNZ-UHFFFAOYSA-N 318.324 5.303 30 10 DKEE CCCCCCCCNC(=O)[C@H](CC)c1ccc(Cl)cc1 1868191887 DSSZDQFGNDNWEQ-QGZVFWFLSA-N 309.881 5.310 30 10 DKEE CCCCCCCC(=O)[C@](C)(O)c1cccc(Cl)c1Cl 1919077625 ZXLTUQRRMOWRJZ-MRXNPFEDSA-N 317.256 5.131 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)C1(C)CCCCC1 1922056460 XYALBOWWKYGKSE-FQEVSTJZSA-N 315.501 5.098 30 10 DKEE CCCCCCCCNc1ccc(CC)cc1Br 2034247876 FZXHTGVPYSRSER-UHFFFAOYSA-N 312.295 5.784 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1cc(C)c(C)cc1C 2070129804 AGZAHJMXHSROSC-GOSISDBHSA-N 320.480 5.447 30 10 DKEE C=CC1(CN[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)CCC1 2111697066 FLGLMZPJLADLSR-JTQLQIEISA-N 318.675 5.654 30 10 DKEE C=CC1(n2c(S)nc3cc(Cl)c(Cl)cc32)CCCC1 2121648685 GFFOTNSEHHDAEC-UHFFFAOYSA-N 313.253 5.087 30 10 DKEE CCCCCC#CCC[C@H](NC)c1ccc(Br)cc1 2138995380 YEENNAQHJCDIOW-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CCCC[C@](C)(C#N)[C@H](O)c1cc(-c2cccs2)cs1 2164476132 VQRWTXZPTWXQRT-HZPDHXFCSA-N 305.468 5.230 30 10 DKEE C#CCCCC[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2173455428 MFSHFEBAWAGSQE-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1cscc1C(F)(F)F 2173633670 JICGNSQKDYVUID-CQSZACIVSA-N 301.377 5.420 30 10 DKEE C=C1CCC(C[C@](C)(O)c2cc(F)c(Cl)cc2Cl)CC1 2196505137 UOIDIBMKZWLRLZ-INIZCTEOSA-N 317.231 5.477 30 10 DKEE CCCCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2197921637 NZXUUSZBGWUATN-KRWDZBQOSA-N 316.316 5.875 30 10 DKEE CCCCCCCCC[C@H](N)c1c(Cl)ccc(Cl)c1F 2204267888 XXHYDHYACVWTRP-AWEZNQCLSA-N 320.279 6.273 30 10 DKEE C=CCCCCCCCN[C@@H](C)c1ccc(Br)cc1 2227269813 BZHLUOFSENTBTB-HNNXBMFYSA-N 324.306 5.626 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(O)c1cc(Cl)sc1Cl 2268723000 MFPSIVMMAHMFMD-HNNXBMFYSA-N 317.281 5.258 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1cc2sccc2s1 2284106494 HVIXKASTTAYWNW-ZDUSSCGKSA-N 303.496 5.219 30 10 DKEE Cc1cccc(C)c1NC=CC(=O)c1ccc(Cl)cc1Cl 2297347877 VDOCTLHAMASMHX-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE C=CC[C@H](C)[C@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2347955269 KEKZXFNNXVQZJA-BTDLBPIBSA-N 324.306 5.155 30 10 DKEE C=C[C@](C)(CNC(C)(C)C)Cc1ccc(Cl)c(Cl)c1C 2364034564 AJWCPKDWJIVQFG-KRWDZBQOSA-N 314.300 5.425 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(OC)c(Cl)s1 2365816919 SUMRKRRADLRMDI-CYBMUJFWSA-N 317.926 5.811 30 10 DKEE Cc1cc(C)c(/N=C(\Oc2ccccc2)c2ccccc2)c(C)c1 1953021 RKFAYTAPBDLVJJ-FCQUAONHSA-N 315.416 5.769 30 10 DKEE C=C(C)COc1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21 14548841 DRIZJZGZPHJSTL-IIMJZQEZSA-N 323.461 5.530 30 10 DKEE N#C[C@H](C(=O)c1cc2ccccc2s1)c1cccc(Cl)c1 48855677 WEXVYPDJKLBDBO-AWEZNQCLSA-N 311.793 5.045 30 10 DKEE CCCCOc1ccccc1-c1cc(C#N)c(C(F)(F)F)o1 77086184 FGYQXZLEIPXLBT-UHFFFAOYSA-N 309.287 5.016 30 10 DKEE COc1ccc(/C=C/C(=O)c2cc(C(C)C)c(OC)cc2C)cc1 83193344 ISFUSJGCZWOBAW-DHZHZOJOSA-N 324.420 5.032 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccc(Br)cc2)CC1 87940135 LHKHXSIJONVFQK-UHFFFAOYSA-N 306.247 5.102 30 10 DKEE C=CCCCCCCCCOc1ccc(Br)cc1 90750457 SEXAVKUTTAXFEG-UHFFFAOYSA-N 311.263 5.745 30 10 DKEE Cc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1C 96887845 FCQSNBVEKDBHTI-VMPITWQZSA-N 305.204 5.506 30 10 DKEE CCCCCCC[C@@H](Oc1ccccc1)n1nnc2ccccc21 102994282 CXPOICSKVKCRHE-HXUWFJFHSA-N 323.440 5.369 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Br)cs1 112721359 VOEUPSPEVCTSAF-CYBMUJFWSA-N 318.324 5.651 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1ccc(Cl)s1 124400852 MCGJSJWPADNLSE-CQSZACIVSA-N 316.942 5.827 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Br)cc1F 124806637 KUXDTRQGHHPRSP-HNNXBMFYSA-N 316.258 5.209 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(F)c(Br)c1 126442133 FDZSCIPUWWOEIC-OAHLLOKOSA-N 316.258 5.339 30 10 DKEE CCCCCCCCC[C@@H](Cc1cc(F)ccc1Cl)NC 126754992 ZGDHOVVTMHQNGX-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE C=CC[C@H](C)/C=C/N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 213465291 OGGFNNGFVRVXCP-BUYIWHAFSA-N 317.429 5.163 30 10 DKEE CCCCCCCCCCOc1cc(Cl)c(Cl)cc1N 231638020 NJKMDZLGMVCROP-UHFFFAOYSA-N 318.288 6.095 30 10 DKEE C[C@H](Nc1ccc(F)c(C#N)c1)c1cccc(Cl)c1Cl 235524256 MZHJOTHQZFACSV-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCS[C@@H]1CCCCCCC1=NO 254491208 PDFALPKBAKEPHY-GOSISDBHSA-N 313.551 6.413 30 10 DKEE C=CCCCCCCN[C@H](C)c1ccc(Br)s1 310170668 TWLMSEXEUAWMSM-GFCCVEGCSA-N 316.308 5.298 30 10 DKEE CCCCCCCCCNC(C)(C)COCc1ccccc1 390214481 WROQWVUZIXJIRM-UHFFFAOYSA-N 305.506 5.322 30 10 DKEE N#CCc1ccc2c(C(F)(F)F)c(C(F)(F)F)sc2c1 725324890 XZLHMDQUXDOELY-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE Clc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1 1084396489 IVKRMHGMEFHQMP-UHFFFAOYSA-N 320.823 5.381 30 10 DKEE CC(C)=C(CSC[C@@H]1CC[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 1901712255 XFJPNBKFZDQTER-HUUCEWRRSA-N 324.339 5.124 30 10 DKEE CCCCCCCC[C@@H](O)c1sc(Br)cc1C 1950202676 KEUATVAYZOMITP-GFCCVEGCSA-N 319.308 5.603 30 10 DKEE C[C@H](COCc1ccccc1)C[C@]1(C=O)CCCCC12CCC2 1981858347 VUOHVLGDGTWPAM-RXVVDRJESA-N 314.469 5.159 30 10 DKEE C=CCCCCCCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 1995169362 PJNJWIDAMFWZGG-HXUWFJFHSA-N 315.501 5.193 30 10 DKEE C=CCCCCCCC(=O)c1sc(C)cc1Br 2026023703 JBEORTCBCQRIPP-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE CCCC[C@](C=O)(CC)Cc1cc(Br)ccc1C 2045964347 DXKVMJOUBFPVJI-MRXNPFEDSA-N 311.263 5.086 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107936241 HTKAYAUHPDWLHF-CYBMUJFWSA-N 320.691 6.044 30 10 DKEE CCCCC#CCC[C@@H](NCC)c1cccc(Br)c1 2138982684 YTZLCWLMARWIMY-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCCCCCC[C@H](O)Cc1ccc(Cl)c(Cl)c1 2141910503 ZDMPDUZGGWSLLL-AWEZNQCLSA-N 301.257 5.423 30 10 DKEE C=CCCCCCCCCNc1ccc(Br)c(C)c1 2142445106 BRURNMVCFYXGCX-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE C=CCCCCCCCNCc1cc(Br)cs1 2214618501 PDXCZIYONFULPS-UHFFFAOYSA-N 316.308 5.127 30 10 DKEE CC(C)(C)C#CC(=O)c1ccc(-c2cccc(Cl)c2)s1 2233873651 ZKRZFIFXSDNFEV-UHFFFAOYSA-N 302.826 5.301 30 10 DKEE C=CCCCC[C@H](NC)c1scc(Br)c1Cl 2242665283 CKZQMXCUCVSDCV-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=CCCCCC[C@H](N)c1sc(Cl)cc1Br 2244972324 SCDXEFAIDJILDC-JTQLQIEISA-N 322.699 5.300 30 10 DKEE N#Cc1cccc(Br)c1NCCCC1CCCCC1 2269733373 VDOSICIRJLVSTF-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE SCCCCCCCCCSCC12CCC(CC1)C2 2274305701 AJTKPPRVKSFLNM-UHFFFAOYSA-N 300.577 5.960 30 10 DKEE CCCCCCCCC[C@@H](C)NC1CCP(C)(=O)CC1 2295674714 URSILMOTSGAKCB-ZRZPHAQCSA-N 301.455 5.261 30 10 DKEE CC(C)CC(CC(C)C)Oc1cc(Br)cc(C#N)c1 2335357023 XMJQBXQSDKDBSE-UHFFFAOYSA-N 324.262 5.160 30 10 DKEE C=CCC[C@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2341114278 ZOFNHJOBTGOMKF-LRDDRELGSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2364547186 DNTHKAVUTHOCLW-MRXNPFEDSA-N 316.316 6.313 30 10 DKEE C=C[C@](C)(CCCc1cc(Cl)cc(Cl)c1)CNC1CC1 2366904587 UZFLBDUBQASERM-QGZVFWFLSA-N 312.284 5.260 30 10 DKEE CCSc1ccc(Cl)cc1C(=O)/C=C/c1ccc(C)cc1 83193122 BQRVHHJRGFOFQN-CSKARUKUSA-N 316.853 5.657 30 10 DKEE N#CC1(c2ccccc2)CC(Nc2ccc(Cl)c(Cl)c2)C1 86035977 URWADLZKPKPVOU-UHFFFAOYSA-N 317.219 5.029 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(Br)s2)C1 87972433 RBJNMWOWGXYIAI-SMDDNHRTSA-N 312.276 5.163 30 10 DKEE CC(C)(C)C1CC(C#N)(Sc2ccccc2Br)C1 90246253 NUUGYTLEPKCRKO-UHFFFAOYSA-N 324.287 5.260 30 10 DKEE CCCC(CS)(CCC)COc1ccc(Cl)cc1Cl 94582981 JMGNBWQZTZIPEV-UHFFFAOYSA-N 321.313 5.889 30 10 DKEE CCCCCCCCCCCCCP(=O)(OCC)OCC 95704869 NZFIBMQRGNVRIT-UHFFFAOYSA-N 320.454 6.564 30 10 DKEE CCCCCCCCC[C@H](NN)[C@@H]1CCCc2sccc21 122224089 QXIFYWKRSBXISK-WBVHZDCISA-N 308.535 5.141 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1ccncc1Cl 123489272 WMIICKJVVCEUEA-KRWDZBQOSA-N 310.913 5.526 30 10 DKEE CCCCCCCCCNc1ccc(F)c(Br)c1 163979514 CODUKCRSLCNUMB-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)c(C#N)c1 164495351 QKGHWOBLORUQLJ-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Br)ccc1F 229264653 JZECGBUTEGQADN-OAHLLOKOSA-N 316.258 5.339 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(Cl)c(Br)c1 236537728 VWRWCPPAWQRXCO-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE CCCCCCCCCCCC[C@H](NC)C(C)(C)SC 381444757 XEPASHAHWPXPAI-KRWDZBQOSA-N 301.584 6.027 30 10 DKEE C=CCCC[C@H](C)N[C@@H](CC)c1ccc(Br)cc1 398195867 TZGDISPFZWXNBT-BBRMVZONSA-N 310.279 5.235 30 10 DKEE Cc1c(Cl)cc(Nc2ccc(C#N)cc2Cl)cc1Cl 690247519 OKFNJRIMLGQUJC-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CSc1cccc(NCc2cccc(Cl)c2Cl)c1C#N 693697454 OCZKUIDZMDOQDF-UHFFFAOYSA-N 323.248 5.199 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@H](C#N)CCC1CCCCC1 710815354 QGSWRMREBONIBH-QGZVFWFLSA-N 322.493 5.132 30 10 DKEE Clc1sccc1N=C1NC2(CCCCCCC2)CS1 713277636 WPIFAWMJTDKDCU-UHFFFAOYSA-N 314.907 5.209 30 10 DKEE CC(C)(C#N)CCn1ccc2cc(OCc3ccccc3)ccc21 720865446 ZULGQMBBSOTBDI-UHFFFAOYSA-N 318.420 5.160 30 10 DKEE Fc1ccc(C=Nc2cc(Cl)c(Cl)cc2Cl)cc1 1083989811 RTTANKXEMRFRPL-UHFFFAOYSA-N 302.563 5.537 30 10 DKEE CCCCCCCCC[C@]1(N)CC[C@@H]1OCc1ccccc1 1934897635 UUJXNHFALNSULR-PMACEKPBSA-N 303.490 5.204 30 10 DKEE C=CCCCCCCN[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 1939563527 MIGJAEFFJRCTGR-UXHICEINSA-N 315.501 5.096 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(Br)c(Cl)s1 1981400721 BBMIYPYCBRTIAF-SNVBAGLBSA-N 323.683 5.334 30 10 DKEE C=C(C)C[C@@H](O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993582383 HSNUHCAHOJJPTO-QGZVFWFLSA-N 319.445 5.157 30 10 DKEE N#CC1(CSc2ccccc2Br)CCCCC1 2001550880 UIIMRHOHOKWOHQ-UHFFFAOYSA-N 310.260 5.015 30 10 DKEE O=C(C=Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 2040457655 QBYUZARAUDAKIZ-UHFFFAOYSA-N 316.278 5.348 30 10 DKEE C=CC[C@@H](C)C[C@H](NCCC)c1cccc(Br)c1 2050519168 PXRLZIIKGKHZAS-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE C#CC[C@H](CNc1c(Cl)cc(Cl)cc1Cl)C1CC1 2076092440 OXAKFDGFPHKERG-SNVBAGLBSA-N 302.632 5.108 30 10 DKEE CCN(C)C=Nc1cc(C)c(Oc2ccccc2F)cc1Cl 2081011647 SQCJYCIUZGDBPJ-UHFFFAOYSA-N 320.795 5.191 30 10 DKEE CC(C)C(C(C)C)[C@](C)(C#N)Nc1ccc(Br)cc1 2087311849 BLXBZBUXWQBAGA-INIZCTEOSA-N 323.278 5.071 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1cc(Cl)sc1Cl 2093442953 FOHOGRPILWHFMG-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE CCCCCCCC[C@@H](NCC)c1scc(Cl)c1Cl 2096219361 WSGYQFDNSJFBDC-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE C=C(CC)C[C@H](N)c1ccc(-c2ccc(Br)cc2)o1 2107771951 YUAFXALFYZAZDK-AWEZNQCLSA-N 320.230 5.065 30 10 DKEE CCCC[C@@](C=O)(CC)CCc1cc(Cl)cc(Cl)c1 2108194459 XEEMYDGDRGPMKL-INIZCTEOSA-N 301.257 5.712 30 10 DKEE C=CCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2116485592 FFPJTEFZYZHQAI-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE Cc1ccc(C[C@@]2(C=O)CCCCC2(C)C)cc1Br 2117029415 IZSFFAOQLHRKHW-QGZVFWFLSA-N 323.274 5.086 30 10 DKEE CCCCCCCC[C@@H](NC)c1c(F)ccc(Cl)c1F 2164157344 QYKXKCIAPMONGX-CQSZACIVSA-N 303.824 5.629 30 10 DKEE CN(CCCCCCCCCS)CC(C)(C)C(F)(F)F 2173259050 YZSUVWMLSJQBAJ-UHFFFAOYSA-N 313.473 5.167 30 10 DKEE C#Cc1ccc(N[C@@H](CC)c2ccc(Cl)cc2Cl)cc1 2177231637 GYPFTZFAKQVLMO-KRWDZBQOSA-N 304.220 5.538 30 10 DKEE CCCCCCCCN(C)CC(CS)(CCC)CCC 2196704896 TVRXZACDOUZACR-UHFFFAOYSA-N 301.584 5.795 30 10 DKEE C=CCCN(CCCCCCN[C@H](C)CC)Cc1ccccc1 2212281244 CSZGRQGOARWCOD-HXUWFJFHSA-N 316.533 5.013 30 10 DKEE CCCCCCCC[C@H](C)NC[C@H](C)COCc1ccccc1 2212662683 UJYLCUDWZCMWES-PMACEKPBSA-N 319.533 5.568 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)c(Cl)c(Cl)c1 2217669821 VHVPPWHWZJLOBP-ZDUSSCGKSA-N 308.680 6.007 30 10 DKEE C=CCCCCCCC[C@]1(O)C[C@@H](C)Sc2sccc21 2235532697 NCBXIJACRGNLCJ-PBHICJAKSA-N 310.528 5.737 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(Cl)ccc1Br 2250159333 PRHNAVMTPZNWLZ-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)CC#CC1CCCCC1 2286459063 SJHJZLQVIIAIFY-UHFFFAOYSA-N 309.236 5.458 30 10 DKEE CCCCCCCOc1cc(Cl)sc1CNC1CCC1 2288326659 YIFKWWGCFWQETN-UHFFFAOYSA-N 315.910 5.393 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1cc2sccc2s1 2289684748 PUAQZEFBQYVPAR-AWEZNQCLSA-N 303.496 5.197 30 10 DKEE CCCCCCCC[C@@H](OCC(=O)O)c1sccc1Cl 2291577915 BVHZQXQRBUGPOW-CYBMUJFWSA-N 318.866 5.294 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1c(Cl)cc(C)cc1Cl 2327886218 NCJYUSJJHJXVMU-ZDUSSCGKSA-N 306.664 5.485 30 10 DKEE Cc1c(C(=O)C#Cc2ccccc2Cl)ccc(Cl)c1Cl 2364535974 ZFSIRXSKPVFYRK-UHFFFAOYSA-N 323.606 5.190 30 10 DKEE CC[C@H]1CC[C@@](C#N)(Cc2cc(Cl)c(OC)c(Cl)c2)C1 2365496673 FXQAXNCOLJCSIY-ZBEGNZNMSA-N 312.240 5.265 30 10 DKEE Cc1c([C@H](O)[C@]2(C#N)CCCC[C@H]2C)ccc(Cl)c1Cl 2366098534 GZCYFQNFBMTAHG-VFVAKGGASA-N 312.240 5.055 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1ncc(C(F)F)s1 2369605864 VHFONJQZHBGALC-GFCCVEGCSA-N 302.434 5.258 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)CCCCC(F)(F)C(F)(F)F 2370489722 FESCNFNYTFINHB-NWDGAFQWSA-N 301.343 5.064 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 14464869 JMCQCLKGRXXARE-NUJGCVRESA-N 306.796 5.038 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 37936078 GKWFBAHHOCGMSU-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(OC)cc1OC 59088836 LEVRULHYIWBQNQ-UHFFFAOYSA-N 313.869 5.520 30 10 DKEE CC(C)(C)[C@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)CC1 86955646 KZDCGNUXVAFHBX-GOEBONIOSA-N 304.865 5.619 30 10 DKEE SCCCCCCOc1cc(Cl)c(Cl)cc1Cl 94583552 PZOIUFDRYBWBTG-UHFFFAOYSA-N 313.677 5.516 30 10 DKEE CCCCCCCCNc1cc(Br)ccc1OC 109934508 OXUGIFCGWIHQKE-UHFFFAOYSA-N 314.267 5.230 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)ccc1Cl 115062659 NZWBGEXDZCIDJT-INIZCTEOSA-N 302.289 6.134 30 10 DKEE CCCCCCCCC[C@@H](O)CSc1ccc(Cl)cc1 117535154 ZBHKKVOKKICNOK-MRXNPFEDSA-N 314.922 5.934 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H]1CCCc2sccc21 143423635 YZQHVQGRARJEMM-WMZOPIPTSA-N 307.547 6.026 30 10 DKEE CC[C@@H](Nc1ccc(C#N)c(Br)c1)C1CCCCC1 228185605 RUGWSMGZAHRXAC-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCc1c[nH]c2c(Br)cccc12 232957204 SCKGUWFDLRZYMV-UHFFFAOYSA-N 322.290 6.224 30 10 DKEE CCCCCCC[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 307876997 HTLVOXPELZRLPN-INIZCTEOSA-N 303.273 5.952 30 10 DKEE CCCC[C@H](CC)C[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 380949288 QHQHHACENUPUSR-QFBILLFUSA-N 322.493 5.276 30 10 DKEE N#C[C@H](CSc1ccc(Cl)c(Cl)c1)C1CCCCC1 397121521 INEKLFHPWIIHLC-GFCCVEGCSA-N 314.281 5.806 30 10 DKEE Cc1c(Cl)cc(N[C@@H](C)c2cccc(C#N)c2)cc1Cl 690302339 TXNNHVVNLXZJKA-NSHDSACASA-N 305.208 5.347 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCCC1 698483608 KGDUHXFIQFNVER-HNNXBMFYSA-N 308.466 5.029 30 10 DKEE N#C[C@@H](Nc1ccccc1Cl)c1csc(C(F)(F)F)c1 703306410 BPPBNHKMIKTHGY-LLVKDONJSA-N 316.735 5.097 30 10 DKEE C=C1CCC(CNc2cc(F)c(Br)cc2C)CC1 724549000 KKRPEASGTCLPJZ-UHFFFAOYSA-N 312.226 5.055 30 10 DKEE C=C1CCC(CNc2ccc(C(F)(F)F)cc2Cl)CC1 724565551 GBEJQTDIFJSAKF-UHFFFAOYSA-N 303.755 5.517 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(Cl)cc1 821219872 SSKBYUCZNLLUEL-KNTRCKAVSA-N 308.208 5.324 30 10 DKEE C=CCN1/C(=N/c2cccc(C)c2)S[CH][C@H]1c1ccccc1 1615006955 CHDPXDSXTDSGNP-ONNQFXDFSA-N 307.442 5.120 30 10 DKEE CCCCCCCCCCC1(C#N)CN(C(=O)OC(C)(C)C)C1 1980246176 LVZNWFWBQNZNGC-UHFFFAOYSA-N 322.493 5.278 30 10 DKEE CC(C)=CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1988794878 NLMKGNIZJSALAW-LJQANCHMSA-N 320.477 5.195 30 10 DKEE CCCCC#CC[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 2024328851 QKMIJRMBEIQRTE-JOCHJYFZSA-N 322.448 5.057 30 10 DKEE CC[C@H](c1ccc(C)cc1C)n1nc(C2CCCCC2)cc1C#N 2070095177 OHSFJWYORJVYAE-OAQYLSRUSA-N 321.468 5.419 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1coc(Br)c1 2086260422 ZEPNWHAXBVQKEX-CQSZACIVSA-N 315.251 5.382 30 10 DKEE CC(C)C(C(C)C)[C@H](C)Nc1ccc(Br)cc1C#N 2087327526 NBHFNKQEKGUMHA-LBPRGKRZSA-N 323.278 5.049 30 10 DKEE CCCCCCC[C@H](NCC)c1c(Cl)cncc1Cl 2107855151 GQUOMIRNFMTDDE-AWEZNQCLSA-N 303.277 5.400 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1cccc(Cl)c1Cl 2108212851 GGDRRINESWZCQE-GJZGRUSLSA-N 300.229 5.137 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1scnc1Cl 2164280104 YMENODHEXPILIL-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE CCCCCCCCCCCCC(=O)c1cc(Cl)ns1 2167196552 PTGSHJKNFRPTPY-UHFFFAOYSA-N 315.910 6.290 30 10 DKEE C=CC1(CC(=O)c2c(Cl)cccc2C(F)(F)F)CCC1 2168006903 CTRZCWOWNWYCEV-UHFFFAOYSA-N 302.723 5.288 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc2c(s1)CCSC2 2179676840 BLUSCLSAHQDBIE-HNNXBMFYSA-N 309.544 5.325 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)c(F)cc1Cl 2204265292 PZWCJDRZLBZUQJ-INIZCTEOSA-N 320.279 6.144 30 10 DKEE C=CCCCCCCCC[C@H](N)c1nn(C)c(Cl)c1Cl 2207434762 GRYXLOHPJCQQAH-LBPRGKRZSA-N 318.292 5.034 30 10 DKEE CCCCCCCCCC[C@H](O)c1ncc(Cl)cc1F 2234121208 MCCKFMZLGLEAME-HNNXBMFYSA-N 301.833 5.438 30 10 DKEE Cc1csc(-c2sc(C#N)c(N)c2-c2cccs2)c1C 2234267808 SOQYXZGLOQJNNN-UHFFFAOYSA-N 316.476 5.276 30 10 DKEE C=CC1(C[C@@H](Cc2cccc(Cl)c2Cl)NCC)CCC1 2235754061 PFBDVHIGPCUHMY-CQSZACIVSA-N 312.284 5.260 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cccc(Cl)c1Cl 2293667407 OREKIZKHBZDHTG-OAHLLOKOSA-N 318.288 5.370 30 10 DKEE C=CCCC[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2295004404 REEOWOHKMHINDM-LBPRGKRZSA-N 305.409 5.472 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)c(O)c(Cl)c1 2296279333 NYWTTXWJIRDNJJ-HNNXBMFYSA-N 316.272 5.616 30 10 DKEE CCCCCCC[C@H](C)NCc1nc(C(C)(F)F)cs1 2360830179 FGGPJGKQQONGTA-LBPRGKRZSA-N 304.450 5.093 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(F)c(Cl)c(F)c1 2370522720 SHGKZZINWMUITR-JKSUJKDBSA-N 301.808 5.261 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 19887299 JMCQCLKGRXXARE-JFIYKMOQSA-N 306.796 5.038 30 10 DKEE N#C[C@@H](C(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 37345358 ZHJPPKMHYGMCFS-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)C2 100892318 ZXYDLGNROZTULH-APPDUMDISA-N 324.251 5.314 30 10 DKEE O=C(/C=C\Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 101450803 DZYOBZZMSCZGAY-NXVVXOECSA-N 315.372 5.287 30 10 DKEE CCCCCCCCC(=O)Nc1nc2ccc(Cl)cc2s1 106189566 TZVLLRQJQWNIDV-UHFFFAOYSA-N 324.877 5.639 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1snnc1CC 143484453 RDZHKLVUMDMFAT-HNNXBMFYSA-N 311.539 5.411 30 10 DKEE CC(C)CCCCCCNc1ccc(Br)cc1C#N 232541680 PMADDWDXYQPWBW-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cccc(Br)c1C 233609169 WZAXGYHPPCLEJC-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)C[C@H](CS)c1ccccc1 251560251 SDDLGTUFUICZLF-GOEBONIOSA-N 319.901 5.046 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)[C@@H](C)CSC 312195802 QEYIABCHQZNJFQ-DLBZAZTESA-N 302.572 5.128 30 10 DKEE C=CCCCCCCN[C@H]1CCSc2ccc(Cl)cc21 380416461 VXYQUTAJLHZHIQ-INIZCTEOSA-N 309.906 5.603 30 10 DKEE N#Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 514261092 SAQLRGFGUABYRR-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=C1CCC(CNc2ccc(Br)cc2Cl)CC1 724553589 KXWCBKFFXDHDQV-UHFFFAOYSA-N 314.654 5.261 30 10 DKEE C=C1CCC(C[C@@H](N)c2cccc(OCc3ccccc3)c2)CC1 724601851 GPFXZCBJUBLVBW-JOCHJYFZSA-N 321.464 5.402 30 10 DKEE CC1(C)CC(=O)C=C(c2cccc(OCc3ccccc3)c2)C1 1899844461 PFXZRCVRZLIZHS-UHFFFAOYSA-N 306.405 5.038 30 10 DKEE N#C[C@]1(Cc2cc(Br)ccc2Cl)CCC12CCC2 2047960153 WZUHJGYCWISCBA-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1cc(Cl)c(F)c(Cl)c1F 2135961260 RKYZCJPGWIHSKI-ZETCQYMHSA-N 307.171 5.012 30 10 DKEE C=C[C@](N)(c1ccccc1)c1cc(Cl)c(Cl)cc1Cl 2136602950 LEIJXAFSARPILC-HNNXBMFYSA-N 312.627 5.035 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1cc2sccc2s1 2140596244 WAKVXKHIGZKGOI-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE C=CCCCCC[C@@H](NCC)c1c(F)ccc(F)c1Cl 2164100408 WWEAWKSAPRFTOC-CQSZACIVSA-N 301.808 5.405 30 10 DKEE CCCC#CC[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2235757896 VLOYIHDWPYMSIZ-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1ccc(OC(F)(F)F)cc1 2235919022 GEXRHHGFZWADSU-JTQLQIEISA-N 324.433 5.269 30 10 DKEE CCCCCC#CCOc1cccc(Br)c1Cl 2248248365 RKBOLXRSYZWGQV-UHFFFAOYSA-N 315.638 5.065 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc([C@H](C)NCCC)c(C)c1 2248955612 YBPRAGFKEAWHRM-IBGZPJMESA-N 322.496 5.248 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1cc2sccc2s1 2289684749 PUAQZEFBQYVPAR-CQSZACIVSA-N 303.496 5.197 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(Cl)sc(Cl)c1C 2336084585 VLHQHIQDHDQYRG-GFCCVEGCSA-N 323.329 6.537 30 10 DKEE N#Cc1ccc(OCC2CCCCCCC2)c(Br)c1 2342900516 BEHKZBWMDZTQEM-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1c(Cl)cccc1Cl 2344346353 RUJKKLXWESCYPP-HZPDHXFCSA-N 300.273 5.636 30 10 DKEE Cc1c(Cl)ccc([C@H](C)[C@]2(C#N)CCCSC2)c1Cl 2353187061 VCGDYRKWFKYAGC-NHYWBVRUSA-N 314.281 5.442 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1cc(F)c(Cl)cc1Cl 2377397470 BJZNPOLRGCQAIR-MEDUHNTESA-N 318.263 5.255 30 10 DKEE CCCCCCCCNc1cc(OC)ccc1OC(F)F 59436623 NQWQKBBZYURBIR-UHFFFAOYSA-N 301.377 5.069 30 10 DKEE Cc1ccc(/N=C/c2ccc(Cl)cc2)cc1Br 59513881 CNMICOQXUSWPKM-RQZCQDPDSA-N 308.606 5.162 30 10 DKEE Clc1ccc(/N=C2/N[C@@H](c3ccccc3)CS2)cc1Cl 63001290 FZGFUKKJHMMZFK-CQSZACIVSA-N 323.248 5.059 30 10 DKEE CC(C)(C)c1nc(CSc2ccccc2)sc1CS 82439566 CRJDBHBUIROUJF-UHFFFAOYSA-N 309.525 5.163 30 10 DKEE SCC1(COc2ccc(Cl)c(Cl)c2)CCCCC1 94585467 ULUNOSHENCNEND-UHFFFAOYSA-N 305.270 5.253 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(F)cc(OC)cc1F 115859639 LSMSGLOJEZIVMV-MRXNPFEDSA-N 300.389 5.148 30 10 DKEE CCCCCCCC[C@H](N)Cc1ccc(C(F)(F)F)cc1 116308355 XZNYJQSKMQHEAM-INIZCTEOSA-N 301.396 5.326 30 10 DKEE CCCCCCCCNc1cc(Br)cc(OC)c1 168977200 QIRLXOKEXBOUOG-UHFFFAOYSA-N 314.267 5.230 30 10 DKEE CCCCCCC[C@H](NCCC)c1ccc(Cl)c(OC)c1 229771573 XFTMEDBRNCBMQS-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE Cc1cccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1C#N 235537924 FTGBGQIYXTVYBH-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=C(CNC(C)(C)C)CSc1ccc(Cl)cc1Cl 322802932 SEBCVQCFCRIUJX-UHFFFAOYSA-N 304.286 5.030 30 10 DKEE C[C@@H]1CCCC[C@]1(C#N)[C@H](C)c1ccc(Br)cc1 384851672 LBGHTROMAGGPMX-XJKCOSOUSA-N 306.247 5.273 30 10 DKEE CCCCCCCCC[S@](=O)Cc1ccc(Cl)cc1 526851406 OJKDZQIDODHPDE-IBGZPJMESA-N 300.895 5.339 30 10 DKEE CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=NNc1nc2ccccc2[nH]1 606347352 ZHCIRJWDYUBSEP-PZKMFDRLSA-N 322.456 5.289 30 10 DKEE CCCCCCCC[C@@H](Cc1ccsc1Cl)NCCC 687835170 HYFTVGHXHMHPOG-INIZCTEOSA-N 315.954 6.063 30 10 DKEE Fc1ccc(C#Cc2cc(C(F)(F)F)ccc2F)cc1Cl 725399618 CWSJGQDMINGPBM-UHFFFAOYSA-N 316.656 5.037 30 10 DKEE Cc1cccc(C)c1C#Cc1cc(C(F)(F)F)ccc1Cl 1614826626 GINSKFMUEAFCII-UHFFFAOYSA-N 308.730 5.375 30 10 DKEE CCCCCCCCNC(=O)CCCc1cccc(Cl)c1 1868190755 OHVHIYKAELKVEJ-UHFFFAOYSA-N 309.881 5.139 30 10 DKEE CCCCC[C@H](CC)N(C)c1cccc(Br)c1C#N 1879294226 GJXPMJVXKBDZGT-ZDUSSCGKSA-N 323.278 5.116 30 10 DKEE Cc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)cc1C#N 1889671413 QKTURHIEORCTMF-UHFFFAOYSA-N 318.420 5.167 30 10 DKEE C=CCC(C)(C)[C@@H](C[C@@H](C)COCc1ccccc1)NCCC 1903138100 YAJAABGFWCHTRO-UYAOXDASSA-N 317.517 5.200 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1)C(F)(F)F 1919677065 JRMFLEPKIHAAFB-CYBMUJFWSA-N 318.747 5.220 30 10 DKEE CCCCCCCCCCCCNCC=CBr 1925885511 VRPVFPBAQXUMGT-UHFFFAOYSA-N 304.316 5.406 30 10 DKEE CCCCCCCCCCN[C@@H]1CC[C@@H]1OCc1ccccc1 1939559775 OOYDHKWVUNRBIM-RTWAWAEBSA-N 317.517 5.465 30 10 DKEE N#C[C@H](CN(Cc1ccccc1)CC1CCCC1)C1CCCCC1 1946755498 YXBXNHYRXFWSLW-JOCHJYFZSA-N 324.512 5.399 30 10 DKEE CCC1CCC([C@](C)(C#N)N(C(=O)OC(C)(C)C)C(C)C)CC1 1980226708 MUECBUDKQAAFHK-RJYAGPCLSA-N 322.493 5.131 30 10 DKEE CCC1(CC)CCC(C#N)(N(C(=O)OC(C)(C)C)C2CC2)CC1 1981060205 GTUJMUMTNZRDQY-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE C=C(C(=O)c1c(Cl)ccc(Cl)c1Cl)[Si](C)(C)C 2000207411 NCBULIRNVAGGRX-UHFFFAOYSA-N 307.680 5.263 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2sccc2Br)C1 2002993455 KXWPNHOBZLFSDC-CQSZACIVSA-N 312.276 5.163 30 10 DKEE C=CCCCCC[S@@](=N)(=O)c1cc(Cl)cc(Cl)c1 2073737701 CSSFSMURGYZARF-GOSISDBHSA-N 306.258 5.145 30 10 DKEE CCCCCCC[C@@H](NCCC)c1scc(Cl)c1Cl 2096213314 PQOBLVVOVDMXSG-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE C=C1CCC(N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 2101211102 BVSNHXSSEJUBAH-SNVBAGLBSA-N 302.220 5.282 30 10 DKEE C=C1CC(C[C@H](NCC)c2cc(C)c(Br)c(C)c2)C1 2125728015 AYBVOSQEIWJMRI-INIZCTEOSA-N 322.290 5.073 30 10 DKEE C=C1CCC(CNc2cc(Cl)c(F)c(Cl)c2F)CC1 2135961581 TUXVMHNRJNKBDU-UHFFFAOYSA-N 306.183 5.430 30 10 DKEE C=CCCCCCCNc1cc(Cl)c(F)c(Cl)c1F 2141909588 UEFZVEIRLWWDSF-UHFFFAOYSA-N 308.199 5.820 30 10 DKEE C=CCCCCCCC(=O)c1ccc(C)c(Br)c1C 2141921439 ARYCDQXFFJSPAU-UHFFFAOYSA-N 323.274 5.775 30 10 DKEE C=C([C@H](CSc1ccccc1Cl)NCCC)C(C)(C)C 2152922517 ASIVCVRYUQCONG-HNNXBMFYSA-N 311.922 5.403 30 10 DKEE CC1(C)C[C@H](C(F)F)CN1CCCCCCCCCS 2193394839 MMJVXHOJGKDEOQ-AWEZNQCLSA-N 307.494 5.013 30 10 DKEE C=CCCCCCCCCCN(C)Cc1ccc(Cl)s1 2207382982 XXTSDTKLHYSETQ-UHFFFAOYSA-N 313.938 6.140 30 10 DKEE C=C[C@@H](CCCCC)OCc1sccc1Br 2212497425 HMMRASICCJJBGM-NSHDSACASA-N 303.265 5.162 30 10 DKEE N#Cc1cccc(Br)c1Sc1ccccc1Cl 2248959734 SDXAHDUUSLYEJS-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cccc(C)c1Br 2259196761 OPHWMADJXXXPAL-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1coc(Br)c1 2259239100 YYXFXQKMTYMIMV-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=CCCCSC[C@H](NC)c1c(Cl)ccc(F)c1Cl 2271503494 SBOKOFWHSVORRB-LBPRGKRZSA-N 322.276 5.092 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)c(Cl)cc1C 2279051967 IEVWUUMVPIDSPI-UHFFFAOYSA-N 315.284 6.625 30 10 DKEE C=CCCCS[C@@H]1CCCCCCC(F)(F)[C@H]1NCC 2287069243 PWIJGPMJMNQFOU-CABCVRRESA-N 305.478 5.022 30 10 DKEE C=CCCCCCCCSC[C@H](CS)c1ccccc1 2287191136 HBMRGDSESFPMND-SFHVURJKSA-N 308.556 5.960 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc(Cl)cc(Cl)c1 2293666698 IPGVVNYOSUYVPR-MRXNPFEDSA-N 318.288 5.370 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)sc1CN[C@H](C)CC 2313689360 OJOLYIQBEYMZIR-MNOVXSKESA-N 303.924 5.346 30 10 DKEE C=CCC(CC=C)SCc1nc(Cl)c2ccsc2n1 2335211779 PLCYTLCCYPUZKD-UHFFFAOYSA-N 310.875 5.099 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)CCc1cc(Cl)cc(Cl)c1 2344469093 RVCCDWQRRAZRNF-HZPDHXFCSA-N 301.257 5.279 30 10 DKEE CCCCCCCN(C)Cc1cc(F)c(Cl)cc1Cl 2349897605 AINQEPPYCFMZDQ-UHFFFAOYSA-N 306.252 5.535 30 10 DKEE C=CC[C@H](C)S[C@@H]1CCCCCCC(F)(F)[C@H]1NCC 2360331559 VCQUMRLFAUMCBG-ZNMIVQPWSA-N 305.478 5.020 30 10 DKEE C=CC[C@H](CN[C@@H](C)CC)Cc1ccc(Cl)c(Cl)c1C 2364053867 PBFGYSXGYRTGKM-JSGCOSHPSA-N 314.300 5.425 30 10 DKEE C[C@H]1CCC[C@@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2368178218 ZDZDEDIBGZMMGE-RYUDHWBXSA-N 300.311 5.140 30 10 DKEE CCCCCCCCCCCC[C@@H](c1ccccc1)[N+](C)(C)C 59691950 ZHCJHQVMGJHKTE-QFIPXVFZSA-N 318.569 6.745 30 10 DKEE Cc1cccc(Cn2c(Cl)c(C#N)c3c(C)cc(C)cc32)c1 71465839 OQIHUSSHSDJSTF-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccc(Br)cc2F)CC1 87940159 DSMPAXIHSMHFSS-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)CC1(CS)CCCCC1 94579712 VCXRCVHPAMHHOE-AWEZNQCLSA-N 311.922 5.213 30 10 DKEE CCCC(CS)(CCC)CSc1ccccc1[N+](=O)[O-] 94588941 ZFFAYFMILQYBKP-UHFFFAOYSA-N 313.488 5.203 30 10 DKEE CCCCCCCNCc1c(OCCC)ccc2ccccc12 100126248 DRNDQXNJYPQANC-UHFFFAOYSA-N 313.485 5.689 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc2cc(F)ccc2s1 122400285 HZJPUYKJAMZAMR-OAHLLOKOSA-N 308.466 5.295 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)[C@@H]1CCCCS1 130146680 WYDWTAZPUMYBBZ-MSOLQXFVSA-N 314.583 5.415 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(C)cc(Br)c1 232062959 WGOAORWXPRUDNQ-CQSZACIVSA-N 312.295 5.918 30 10 DKEE O=C(C1=CCCCCCC1)c1ccc(OCc2ccccc2)cc1 310326331 IVRORQNKRIWQPM-UHFFFAOYSA-N 320.432 5.729 30 10 DKEE CCCCCCCNc1cc(NC(=O)OC(C)(C)C)ccc1C 390074251 PEJBUEBZOWCVTR-UHFFFAOYSA-N 320.477 5.724 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc2cscc2s1 694330222 HWLSHSJTCGUOQS-HNNXBMFYSA-N 309.544 6.493 30 10 DKEE CCCCCCCC[C@@H](O)c1oc(Br)cc1C 715741803 WBBHETSNEBHSGV-GFCCVEGCSA-N 303.240 5.135 30 10 DKEE C[C@H]1CC([C@@H](C#N)c2ccccc2Br)C[C@H](C)C1 719359335 BTIMPBXVSLTBKM-LALPHHSUSA-N 306.247 5.129 30 10 DKEE CCCCCCCCCCCC(=O)NCCc1ccccc1F 1865984957 PRBWQXFKYRKUEE-UHFFFAOYSA-N 321.480 5.405 30 10 DKEE CCCCCCCCCOCC[C@@H](C)NCc1ccccc1 1915371502 ZIGOOCWMPMOULH-LJQANCHMSA-N 305.506 5.322 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1cccc(C#N)c1F)C(C)(C)C 1946838532 AFIBLBCURHTRTQ-MRXNPFEDSA-N 324.443 5.134 30 10 DKEE C=C(CN(Cc1ccccc1)Cc1cccs1)c1ccccc1 1990762532 IROFOZOMPFFVJE-UHFFFAOYSA-N 319.473 5.464 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 1990801728 NIYSHHRBTXDQFC-UHFFFAOYSA-N 319.370 5.284 30 10 DKEE N#CC1(Cc2cc(Br)ccc2Cl)CCCCC1 2001846997 KNRDYZOLLUSBMD-UHFFFAOYSA-N 312.638 5.119 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](C)c1ccc(C)c(Br)c1 2043820024 DNPCVTACODYCRQ-KGLIPLIRSA-N 310.279 5.153 30 10 DKEE C=CC[C@@H](C)C[C@@H](NCCC)c1cccc(Br)c1 2050519169 PXRLZIIKGKHZAS-CZUORRHYSA-N 310.279 5.092 30 10 DKEE C=CCC(C)(C)Oc1cc(Br)ccc1C(F)(F)F 2067103320 MSHGDEYKTYGLMI-UHFFFAOYSA-N 323.152 5.201 30 10 DKEE Cc1cc(Cl)c(Br)cc1Nc1cccc(C#N)c1 2082782115 JMXMATBNAOYRDF-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCCCCCC(=O)c1coc(Br)c1 2086278191 FLTRCERZXOWRQQ-UHFFFAOYSA-N 313.235 5.532 30 10 DKEE C#Cc1ccccc1CNc1c(Cl)cc(Cl)cc1Cl 2113849765 JBMKKHMMPRYTDX-UHFFFAOYSA-N 310.611 5.240 30 10 DKEE C=CCCCCCCCCCNCc1nc(Cl)cs1 2142451143 TUFHKTPYQGLDKC-UHFFFAOYSA-N 300.899 5.193 30 10 DKEE SCCCCCCCCCN1CCCc2sccc2C1 2170325771 RBUYZARLJRJLSY-UHFFFAOYSA-N 311.560 5.157 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1ccc(F)c(Cl)c1F 2200729713 CKZZVDNAJIEPIT-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C#CCCC[C@H](NCCC)c1ccc(-c2cccs2)s1 2205867977 YUYIVAMBJFHIDI-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE C=CCCCC[C@H](N)c1cc(NC(=O)OC(C)(C)C)ccc1C 2211851192 UAXACNLTKCQEGF-KRWDZBQOSA-N 318.461 5.088 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1cc(Cl)ccc1Cl 2231535443 GVSGQBYAELUYOL-WBMJQRKESA-N 300.273 5.116 30 10 DKEE C=C(C)CCCC[C@H](OCCCN)c1cc(Cl)sc1C 2292778478 GGURTERHAYGXKS-HNNXBMFYSA-N 315.910 5.253 30 10 DKEE FC(F)(F)c1ccccc1COCCCCCCCS 2294696149 DVIWVELZRGVAGT-UHFFFAOYSA-N 306.393 5.102 30 10 DKEE C=CCCCC(=O)c1c(C)c(C)c(Br)c(C)c1C 2324114097 LUDUTVGVZBYHFO-UHFFFAOYSA-N 309.247 5.222 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccc(C)c(Br)c1 2344336111 GMLPMEVDWFILGH-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE C=CC[C@H](C)Sc1ccc([C@@H](C)NC)c(C(F)(F)F)c1 2360370448 DYQGYERAJSKUQG-WDEREUQCSA-N 303.393 5.043 30 10 DKEE C#CCC1(NCc2ccc(Cl)c(Cl)c2C)CCCCC1 2364008819 HASFTRLWJGKEQS-UHFFFAOYSA-N 310.268 5.118 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2377403200 MGHZMTCRBOPNNT-BDJLRTHQSA-N 317.231 5.461 30 10 DKEE Cc1ccc(-c2csc(SCC#Cc3ccccc3)n2)cc1 72262364 LAUJVDPCAUQJRX-UHFFFAOYSA-N 321.470 5.262 30 10 DKEE CCCCCCCOc1ccc(NCc2ccccc2F)cc1 100033724 ZRZLUINQYTYWFS-UHFFFAOYSA-N 315.432 5.787 30 10 DKEE CCCCCCCn1c(-c2ccc(C)cc2)nc2ccccc21 101263227 ZEHCCJBHFBPFDQ-UHFFFAOYSA-N 306.453 5.982 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc(OC)c1 108670664 GBZRLUXKSLXYOW-UHFFFAOYSA-N 305.462 5.555 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2cc(F)ccc2Cl)CC1 126016882 BABWBJMBKXVUOD-UHFFFAOYSA-N 307.840 5.768 30 10 DKEE CCCCCCCCCC[S@](=O)c1ccc(Cl)cc1N 149912135 WDCFWCHGOGDKMF-HXUWFJFHSA-N 315.910 5.171 30 10 DKEE CCCCCCCCC(=O)Cc1cc(Br)cs1 165143752 PCOIMSOOURCUMA-UHFFFAOYSA-N 317.292 5.373 30 10 DKEE CCCCCCCCC(=O)c1c(F)cccc1Br 169154735 RVCWLZFOBDSDQD-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE C=CCCCCC[C@@H](NC)c1cccc(C)c1Br 234460851 TZMZIESQUZSZLN-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE C=CCCCCC[C@H](N)c1cc2cccc(Br)c2o1 236304001 KORWSWJTEUSMGN-AWEZNQCLSA-N 322.246 5.332 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 307266292 ZWJNTDQUVBEIND-BVYCBKJFSA-N 318.464 5.017 30 10 DKEE CC[C@H]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)CC1 311945515 GZTAYUMBBLWGAZ-JSGCOSHPSA-N 321.262 5.092 30 10 DKEE Cc1ccc(Oc2cc(Cl)cc(Br)c2)c(C#N)c1 698004082 YPQXTTXYKUDMSE-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C#CCCCCCC(=O)c1c(Cl)cccc1C(F)(F)F 712599379 RVQLTYKRSMRFAH-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE C[C@@H](/N=C\c1c2ccccc2cc2ccccc12)c1ccccc1 1084631611 IKKYRENVJRYEJZ-GIKSKMNSSA-N 309.412 6.173 30 10 DKEE CC(C)c1cccc(C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)c1 1772798649 UFZCIGSJQKNQNP-UHFFFAOYSA-N 312.262 5.078 30 10 DKEE C=C[C@@H](C1CCC1)n1c(S)nc2cc(Cl)c(Cl)cc21 1892956948 JVBLSZRQIPNIRG-LBPRGKRZSA-N 313.253 5.159 30 10 DKEE CCCCCCCCCC[C@](C)(N)c1ccc(Cl)s1 1920205296 WSGHSHWFTJSXFL-INIZCTEOSA-N 301.927 6.106 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Br)sn1 2007626413 DLOWGVPLTDHVRA-NSHDSACASA-N 319.312 5.046 30 10 DKEE C=C([C@H](NCC)c1ccc(C)cc1Br)C(C)(C)C 2035436462 YQQBNKIBDIBWKG-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE CCc1cc(C(F)(F)F)cc(C(F)F)c1OC(F)(F)F 2060359443 KEBZJUVDQZCKKL-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CC[C@](C)(N[C@H](C)c1ccc(Cl)c(Cl)c1)C(F)F 2125764616 XTFSPVGJGIEAFB-OTYXRUKQSA-N 308.199 5.244 30 10 DKEE C#CCCC[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164169790 YGUDWVRWCMGZIW-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Cl)c(F)cc1F 2179364765 FPLNUFPBCXXBGF-INIZCTEOSA-N 301.808 5.405 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(SC(F)(F)F)cc1 2182511342 GYBOJBNPXOFIJU-CYBMUJFWSA-N 307.356 5.213 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1ncc(Cl)cc1Cl 2207433981 DKCBXWXLLJCIRU-OAHLLOKOSA-N 316.272 5.729 30 10 DKEE C=CCCCCCCCCC[C@](C)(N)c1ccc(Cl)s1 2207436762 KOQOVIWYXFNIQW-KRWDZBQOSA-N 313.938 6.272 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1cc(C)c(Cl)s1 2207442576 SHDGRXKBBKSTSM-CQSZACIVSA-N 314.926 5.521 30 10 DKEE C=CCCCCOCc1cc(Cl)c(C)c(Br)c1 2213510627 BUHBOIHNYLUUIL-UHFFFAOYSA-N 317.654 5.284 30 10 DKEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2226321689 IGEXGABMJNIRNC-MNOVXSKESA-N 318.675 5.345 30 10 DKEE C#C[C@@H](CC(C)C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2226334730 IGEXGABMJNIRNC-MNOVXSKESA-N 318.675 5.345 30 10 DKEE C=CCCCCCCC[C@H](OCCN)c1cc(Cl)cs1 2293783688 BAGHENBHKYIAGQ-HNNXBMFYSA-N 315.910 5.335 30 10 DKEE C[C@@H]1CCC(=NNc2nc(-c3ccc(Cl)cc3)cs2)C1 2297719228 FDFJAFXMIJWFOL-SNVBAGLBSA-N 305.834 5.051 30 10 DKEE C=C1C[C@@H]1[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2319251912 IRJQGYRKFRYPRF-HZMBPMFUSA-N 304.648 5.264 30 10 DKEE CC1(C)CC(CS)(CSCCCCCCC2CC2)C1 2345004020 DYIQXIPWBXRGNM-UHFFFAOYSA-N 300.577 5.816 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1cc(F)c(Cl)cc1Cl 2377397423 AXQVFEBLJARKNB-NWDGAFQWSA-N 318.263 5.255 30 10 DKEE C=C[C@@H](CC(C)(C)CC(C)(C)C)c1ccc2cccnc2c1O 5138118 VOHHCUUIBNXCNP-HNNXBMFYSA-N 311.469 6.063 30 10 DKEE Cc1ccc(N/C(=N\Cc2ccccc2)c2ccccc2)cc1 15784094 AUTXADMINNWWNN-UHFFFAOYSA-N 300.405 5.054 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 19887296 QMFBIJCURQSFID-OHNRDTAOSA-N 306.796 5.038 30 10 DKEE O=C(/C=C\c1ccc(Cl)cc1Cl)/C=C/c1ccccc1 33644688 GBJHNPAIDVVEIQ-HOLFWZHHSA-N 303.188 5.289 30 10 DKEE N#CC1(c2ccccc2)CC(Nc2cc(Cl)cc(Cl)c2)C1 86035967 POUOGTSZJUFFHV-UHFFFAOYSA-N 317.219 5.029 30 10 DKEE CC(C)C1CCC(C#N)(Cc2ccc(Br)cc2)CC1 87960095 YLCSSBKVYFSHLZ-UHFFFAOYSA-N 320.274 5.348 30 10 DKEE CCCCCCCC[C@H](CCCCCCC)c1ccccc1 100058793 LGXUGHSDZLQGOB-NRFANRHFSA-N 302.546 7.881 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)sc1Cl 115064665 VTHANUMRBRITLJ-GFCCVEGCSA-N 309.302 6.229 30 10 DKEE CCCCCCC[C@@H](C)Nc1cccc(C)c1Br 131195946 CBPDXVQDGOMPRU-CQSZACIVSA-N 312.295 5.918 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1sccc1Cl 162524406 GRTVCJFWXRKHFV-MRXNPFEDSA-N 315.954 6.712 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2 250500685 GHRFCSRKFMQJFB-XQFWAAQXSA-N 322.411 5.538 30 10 DKEE Clc1cccc(N=Cc2ccc(OCc3ccccc3)cc2)c1 254439448 PCORQFIKYMVRDK-UHFFFAOYSA-N 321.807 5.670 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1 406263435 XRYGRMVHUMQJFN-KRWDZBQOSA-N 318.461 5.170 30 10 DKEE C=C1CCC(COc2ccc(Br)cc2C(C)C)CC1 724569980 MRKLLBTXVIZSHV-UHFFFAOYSA-N 323.274 5.698 30 10 DKEE CCCCCCCCN(C)Cc1ccc(Cl)nc1Cl 1887057429 PIUAMJWABFQPEK-UHFFFAOYSA-N 303.277 5.181 30 10 DKEE CCCCCCCCCN(CCC(C)(C)O)Cc1ccccc1 1915622218 CGWIMBHREXTTDM-UHFFFAOYSA-N 319.533 5.400 30 10 DKEE CCCCCCC[C@]1(O)C[C@@H](C(C)C)N(Cc2ccccc2)C1 1919646268 DIECJMRHGKEPIB-SFTDATJTSA-N 317.517 5.009 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cccc(OCc2ccccc2)c1 1996468169 BMLQXNLDXWDZQN-AVRDEDQJSA-N 323.480 5.519 30 10 DKEE C=CC1(COc2ccc(Br)cc2C(C)C)CCC1 2049029891 LFRKEKNKJCXEHU-UHFFFAOYSA-N 309.247 5.308 30 10 DKEE N#C[C@@]1(Cc2cccc(Cl)c2Br)CCCC12CC2 2053366781 MOTVMVINWADEDY-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](C)c1ccc(CCC)cc1 2070161253 ICHYACLDLXQCRV-QGZVFWFLSA-N 314.432 5.093 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Br)ccc1C 2082466506 ORMOFHUFKSFYMI-WBMJQRKESA-N 310.279 5.010 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1sccc1Cl 2090917350 CPENDIGLMOFRMH-AWEZNQCLSA-N 302.867 5.145 30 10 DKEE Clc1cc(Cl)c(NCC#CC2CCCCC2)cc1Cl 2093443541 LMHCNGZIFCCVQN-UHFFFAOYSA-N 316.659 5.642 30 10 DKEE C=C([C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1)C(C)(C)C 2164005975 HNEOMSXHKGYNKO-MRXNPFEDSA-N 305.874 5.671 30 10 DKEE CCCCCCC[C@H](NCCC)c1sc(OC)nc1Cl 2164195691 JZMFSHPEGSSJHP-LBPRGKRZSA-N 318.914 5.206 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(Cl)ccc1OC(F)F 2164216324 YJUJIMNMEYQAAA-GFCCVEGCSA-N 324.198 5.125 30 10 DKEE C=CC1(C[C@H](O)c2ccc(SC(F)(F)F)cc2)CCC1 2168028753 PHGCDRNCNQWHAN-ZDUSSCGKSA-N 302.361 5.078 30 10 DKEE N#C[C@@]1(Cc2c(Cl)cncc2Cl)CCCCC12CCC2 2173615105 JMUDJKCRLPLRTG-INIZCTEOSA-N 309.240 5.185 30 10 DKEE CCCCCCCC[C@H](O)[C@H](NCC)c1csc(Cl)c1 2207443846 DUDAQSSKJFLGAG-GOEBONIOSA-N 317.926 5.164 30 10 DKEE NC1(CC#Cc2cc(Cl)c(Cl)c(Cl)c2)CCCCC1 2224318721 ZIRDCONVQPNIJG-UHFFFAOYSA-N 316.659 5.050 30 10 DKEE CCCCCCC[S@@](=N)(=O)CCCCCCCC1CC1 2239349430 MCOXBZIMSFQGNC-HXUWFJFHSA-N 301.540 5.754 30 10 DKEE C=C[C@H](CCCCC)OC[C@H](N)c1ccc(Cl)cc1Cl 2239489741 LFFOIPAJFGYLJC-CJNGLKHVSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCCNc1ccc(Br)c(Cl)c1 2244628454 GYKBGVDMOMYBQT-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=C(C)CCCCN(C)[C@@H](C)c1cc(Br)cs1 2250143147 VMIOEIMIOCDITB-LBPRGKRZSA-N 316.308 5.250 30 10 DKEE CC(C)(C)c1cc(Br)cc(C(=O)C2=CCCC2)c1 2260205147 ZRVDFMBCJMMGDX-UHFFFAOYSA-N 307.231 5.040 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)CC1(C(F)(F)F)CC1 2281262379 BSXUSYLZZJUVDN-HXUWFJFHSA-N 313.429 5.126 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@H](F)CC[C@@H]1NCC 2287381779 AMYDGAVLKZOJFK-IXDOHACOSA-N 301.515 5.115 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(C(F)(F)F)cc1Cl 2287468574 WHLMVQHKYQHRNM-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE C=CCOc1cccc(C=CC(=O)c2c(C)c(C)cc(C)c2C)c1 2323259547 UKZGWSUBUQJWQV-UHFFFAOYSA-N 320.432 5.381 30 10 DKEE C[C@@H](CCS)CCOCCCc1cc(Cl)cc(Cl)c1 2341125336 VMHQGGIKAZOXSS-GFCCVEGCSA-N 321.313 5.289 30 10 DKEE C#CCCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807595 KIUPAJKBKQJYGJ-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE COc1ccc2ccccc2c1C(=O)/C=C\c1ccc(Cl)cc1 32222687 TTZHCWCWWPGPBD-WQLSENKSSA-N 322.791 5.398 30 10 DKEE N#Cc1ccc(NC2CC(c3ccccc3Cl)C2)cc1Cl 36846124 PNEPUUIBBYGOBY-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CC[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2Br)CC1 86901797 WDABWWJLDGAFJW-GXTWGEPZSA-N 321.262 5.092 30 10 DKEE C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(C#N)c(Cl)c1 110258441 KWLIQJCQDSIHCP-NSHDSACASA-N 305.208 5.062 30 10 DKEE Cc1cc(Cl)c(N[C@@H](C)c2ccc(C#N)cc2)cc1Cl 128120182 JVHLSRAAUVQZCS-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccc(Cl)c(C)c1 157921439 WNTVIWNTRFRBCG-IBGZPJMESA-N 309.925 6.440 30 10 DKEE CCCCCCCCC(=O)c1ccc(Br)c(F)c1 164754993 KGWBUOPRJBHFSX-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE CCCCCCCCC[C@@H](CCc1cccs1)NCCC 166354734 KRNLGZMKLIMFHG-SFHVURJKSA-N 309.563 6.190 30 10 DKEE C=C(C(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 195970927 XHBOKJUJSSUXRB-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(C)ccc1Br 229755255 JSIWAKBLKGFEQF-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCNc1c(F)cccc1Br 232121380 KDXCWDIIJNHHDS-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE CCCCCCCOc1ccc(C(=NO)c2ccccc2)cc1 254344134 SLUVZRHZEDEFFK-UHFFFAOYSA-N 311.425 5.262 30 10 DKEE CCCCCCCCCCC[C@H](O)CC(F)(F)C(F)F 400518907 CATWUZCDTXFWRY-ZDUSSCGKSA-N 300.380 5.559 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2cc3cscc3s2)CC1 693993148 IWQUBIQRRGDSBR-CQSZACIVSA-N 305.468 5.106 30 10 DKEE CSc1ccc([C@@H](C)Nc2ccc(Cl)cc2C#N)cc1 695758144 PQDDJPRAMGRQTL-LLVKDONJSA-N 302.830 5.107 30 10 DKEE CC[C@@H](C)C[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 698913323 ZVZWTKKWBBEMKZ-DNVCBOLYSA-N 322.493 5.275 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1scnc1Cl 712910478 WEWWVVXRKJFJOE-AWEZNQCLSA-N 317.926 6.141 30 10 DKEE CCCCOc1ccc2c(c1)O/C(=C\c1ccc(CC)cc1)C2=O 1871398488 RSCPEWGQLWFIHM-MOSHPQCFSA-N 322.404 5.044 30 10 DKEE COc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1Cl 1874575143 XVSVIXWAWNQJBE-VAWYXSNFSA-N 322.791 5.398 30 10 DKEE C=CCC1(n2c(S)nc3cc(Cl)c(Cl)cc32)CCC1 1913986833 FTTSWCPHJDKZEV-UHFFFAOYSA-N 313.253 5.087 30 10 DKEE CCC[C@H](C#N)[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921059059 FYUYVXBSPJAVFL-MLGOLLRUSA-N 305.830 5.042 30 10 DKEE Cc1cc(C#N)c(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)nc1C 1949692936 GTARPPPZNLQOKU-KRWDZBQOSA-N 321.468 5.011 30 10 DKEE C=CCCCCCC(=O)c1cc(Br)c(Cl)s1 1978422991 JNOGQDXDZNQJFB-UHFFFAOYSA-N 321.667 5.483 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1CCCc2ccccc21 1990797181 OESZSSNMMXZAQW-NRFANRHFSA-N 305.465 5.185 30 10 DKEE C=CCCCC[C@@H](O)c1ccc(Cl)c(Br)c1F 2009530239 YABUAQALWGSNIZ-LLVKDONJSA-N 321.617 5.021 30 10 DKEE C=CCCCCCCNc1cc(Br)ccc1F 2026016093 ZSPISQFOWILSIV-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE CO/N=C(/C=Cc1ccc(Cl)cc1Cl)c1ccccc1 2059952198 TUZWHLFMRXJJNN-SRRLHIEGSA-N 306.192 5.057 30 10 DKEE CCCCCCCC[C@H](N)[C@H](O)c1cc(Cl)c(Cl)s1 2098757280 HXSZLBNZHPFFLQ-AAEUAGOBSA-N 324.317 5.166 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(C)c(Br)c(C)c1 2102111214 LFKBNIJTZIVHCC-SJCJKPOMSA-N 324.306 5.319 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1ccc(SC(F)(F)F)cc1 2164141069 RGFVHUDIJLGODW-BXUZGUMPSA-N 303.393 5.161 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1ccc(Cl)c(Cl)c1)C1CC1 2196849724 REOBRKQQSNCHKE-DYVFJYSZSA-N 310.268 5.084 30 10 DKEE C#C[C@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C1CCCCC1 2203797294 DEJJVUAEHWEJTL-PXAZEXFGSA-N 310.268 5.226 30 10 DKEE C=CCCCCCC(=O)c1c(F)ccc(Br)c1F 2223386947 SSHHZTNSQMWOJH-UHFFFAOYSA-N 317.173 5.047 30 10 DKEE CCCCCCCCC[C@H](O)c1nc(C(C)(F)F)cs1 2234786556 GUKUABXWGRDORT-LBPRGKRZSA-N 305.434 5.429 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc2sc(C)cc2s1 2235520094 WJFVLCORYRLTTM-CQSZACIVSA-N 308.512 6.221 30 10 DKEE CCCCCCCCCCCOC(=O)CC1(CS)CC1 2239493999 YOVDVTYVWKDAHJ-UHFFFAOYSA-N 300.508 5.161 30 10 DKEE CC(C)(C)C#CC=CCCc1cccc(F)c1Br 2256696381 KRMYHMRXFXNQCK-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Cl)c(Cl)cc1OC 2279053309 VJPQWBNTQUICCH-OAHLLOKOSA-N 318.288 5.623 30 10 DKEE Cc1cc2c(cc1C)C(=O)C(=Cc1cccc3ccccc13)O2 2314519484 QIKPWTUWHDRNTA-UHFFFAOYSA-N 300.357 5.073 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cccc(Br)c1C 2338738054 JMNIFFUTBKROQF-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352394255 OSRTVGVTKHUBNO-HZMBPMFUSA-N 304.236 5.385 30 10 DKEE CCCCCCCCCCCCOC(=O)C1CC(S)C1 2362312259 CFKKFYCKNTWQGC-UHFFFAOYSA-N 300.508 5.159 30 10 DKEE Cc1cc(C)c([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@H]32)c(C)c1 20691130 FOSHDZGXHUQFSB-JBYIUTFZSA-N 314.432 5.310 30 10 DKEE Cc1cc(C)c(C)c(C(=O)/C=C/c2c[nH]c3ccccc23)c1C 83193775 QVTIEQXEYZEVMH-MDZDMXLPSA-N 303.405 5.298 30 10 DKEE C=CCc1cc([C@@H](C)CC)cc(C=O)c1OCCCCCCC 100132595 IMTDTOJUAMACDO-KRWDZBQOSA-N 316.485 6.090 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(C)c(Br)c1 103976937 OUAHDEJTSMYOAN-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(F)c(Cl)c1 109715694 KOTYVUQBNGHUPD-KRWDZBQOSA-N 300.845 6.043 30 10 DKEE CCCCCCCCCNCCc1ccc(Cl)cc1Cl 110158229 UFSYTPNJCYQSAF-UHFFFAOYSA-N 316.316 5.876 30 10 DKEE Cc1ccc(Br)cc1Nc1ccc(C#N)c(Cl)c1 110254517 KJHWCYCSCPXUAL-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC(=O)[C@@H](C#N)c1ccc(F)cc1Cl 115858190 XEJFVILYHNCLAL-HNNXBMFYSA-N 309.812 5.406 30 10 DKEE CCCCCCCC[C@H](NCCC)[C@H]1SCCS[C@@H]1C 228134379 PITIRQQUIGICPF-IKGGRYGDSA-N 317.608 5.342 30 10 DKEE N#C[C@H](CC1CCCCCC1)Nc1cccc(Br)c1 394532811 LVQWQZPSAFJUAV-INIZCTEOSA-N 321.262 5.114 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1 1874577319 IOWSDNROJDMKQT-FMIVXFBMSA-N 312.796 5.191 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)C[C@@H](C#N)C1CCC1 1915401635 WWIFRHKNKMNUNQ-VQIMIIECSA-N 324.493 5.251 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ccc(F)cc1Cl 1919926129 YCZBATQVTPXWKU-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc(Cl)c(Cl)s2)CC1 2038535106 AKZHWLCLUUFZOK-LBPRGKRZSA-N 304.286 5.452 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Cl)cc1Cl)C(C)(C)C 2096632308 NAHZNYNQIGKDBR-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE CCCCCCC[C@H](NCCC)c1ncc(SC)s1 2108003365 XZOXUAZBBFRHJG-ZDUSSCGKSA-N 300.537 5.266 30 10 DKEE C=CC1(CN[C@H](C)c2ccc(Br)cc2)CCCCC1 2132977773 RORHBYYJXGQGCQ-CQSZACIVSA-N 322.290 5.236 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H](O)c1sccc1Cl 2148614336 XUHLVCFMBMEQIB-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCC[C@]1(N)CC[C@@H](P(C)(C)=O)C1 2160795165 ZTHZEWHPWTZKCB-SJORKVTESA-N 301.455 5.390 30 10 DKEE CCCCCCCCCCCC[C@H](CCSCC)NC 2164082364 CXUIMWLOZAPBCT-GOSISDBHSA-N 301.584 6.029 30 10 DKEE C=CCCCC[C@@H](CSc1ccc(Cl)cc1)NCCC 2179681132 LOBFCMPBCZJCQM-INIZCTEOSA-N 311.922 5.547 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2c(Cl)cccc2Cl)CC1 2181636333 FZRZGYNGIHLAOR-LBPRGKRZSA-N 311.252 5.949 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2csc(C(F)(F)F)c2)CC1 2181668424 OKACTFXYZYSHSJ-JTQLQIEISA-N 302.361 5.332 30 10 DKEE CCCCCCCCCCN1CCC[C@H](P(C)(C)=O)C1 2195681686 IYUZQHKHXQYTAO-KRWDZBQOSA-N 301.455 5.214 30 10 DKEE C#C[C@@H](N[C@H](CC)c1ccc(Cl)cc1Cl)C1CCCC1 2204030645 GHWFBZFHKUSZEV-IAGOWNOFSA-N 310.268 5.226 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1F 2206903889 VXNGLKUELIYPMM-MRXNPFEDSA-N 318.263 5.833 30 10 DKEE C=C(C)CCCC[C@@H](O)c1sc(C)c(Br)c1C 2250159869 UOGLYJIQFFLRES-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE C=C(C)CCCC[C@@H](OCCCN)c1cc(Cl)sc1C 2292778479 GGURTERHAYGXKS-OAHLLOKOSA-N 315.910 5.253 30 10 DKEE C=C(CC)COc1c(Cl)cc(CN[C@H](C)CC)cc1Cl 2296253880 QCUYMVGWIYGUJB-GFCCVEGCSA-N 316.272 5.227 30 10 DKEE O=C(C=CNc1ccc(Cl)cc1)c1cccc2ccccc12 2297506066 OPSNAJILPRMUKG-UHFFFAOYSA-N 307.780 5.302 30 10 DKEE Cc1ccc(C(=O)C=CSc2cc(Cl)ccc2Cl)cc1 2297563680 MEHLURUWFDXKKU-UHFFFAOYSA-N 323.244 5.791 30 10 DKEE CC(C)=C1C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 2313652942 NWHGLVFSMBKWMI-VWDDTOJVSA-N 314.513 5.935 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21 14475074 GQFQZGAVFMUVDX-ONTIZHBOSA-N 322.411 5.538 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 14549886 IKBBIMDKUDFHDE-ZWOKBUDYSA-N 321.395 5.217 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 37346293 CDJVMMMPADVQOO-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE CCCCCCCCNc1cccc(OC[C@@H]2CCCO2)c1 100039599 JQZXUYAAAIPQNE-IBGZPJMESA-N 305.462 5.017 30 10 DKEE COc1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1 100042251 ZKEZPEHRLRFUQA-RCCKNPSSSA-N 303.361 5.238 30 10 DKEE CCCCCCCO[C@H](CNC(C)C)c1cccc(Cl)c1 110067855 DPOACOAEZUCVDY-GOSISDBHSA-N 311.897 5.366 30 10 DKEE N#Cc1cc(Cl)ccc1Sc1cccc(Br)c1 110354511 MVDUVHDSOXIBDS-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCOc1ccc(Cl)cc1CNCC(C)C 111610110 BLMRTQQLSVVIJK-UHFFFAOYSA-N 311.897 5.435 30 10 DKEE CCCCCCCCCCSc1ccc(F)c(C(=O)O)c1 129617922 ZNTJSFZADFFHLX-UHFFFAOYSA-N 312.450 5.757 30 10 DKEE CC(C)(C)C1CCC(CNc2cc(Cl)ccc2C#N)CC1 129826672 OTTPVEVLKHDQKW-UHFFFAOYSA-N 304.865 5.476 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1SCCS[C@H]1CC 135734989 GLDZJWNCOSWNIN-JYJNAYRXSA-N 304.565 5.115 30 10 DKEE CCCCCCCCCCCC(CC)(CC)P(=O)(O)O 141244021 XFUIDWXHWBCBOG-UHFFFAOYSA-N 306.427 5.644 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccc(Cl)nc1 156214536 OCWSEPAQRXRSPD-KRWDZBQOSA-N 311.897 6.079 30 10 DKEE CCCCCCCCCC[C@H](NC)[C@H]1SCCS[C@H]1C 162202821 FQJPCWGDHRXKKV-ULQDDVLXSA-N 317.608 5.342 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2 226890757 KQYZNXPEHLLZFP-VCBZYWHSSA-N 309.434 5.139 30 10 DKEE C[C@H](Nc1ccc(F)cc1C#N)c1cccc(Cl)c1Cl 235530671 PWZFEPZOZUAMES-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C(=Nc1ccc(Nc2ccccc2)cc1)c1ccc2ncccc2c1 254443196 VKBQCZXYDCVUSM-UHFFFAOYSA-N 323.399 5.729 30 10 DKEE CC(C)Sc1ccc([C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)cc1 390776935 NUDVJOUFVJJJSM-HOTGVXAUSA-N 318.291 5.137 30 10 DKEE C=CCCC[C@@H](C)N[C@H](Cc1cccs1)c1cccs1 398055341 DKIHVIKWCIIRPJ-GDBMZVCRSA-N 305.512 5.428 30 10 DKEE C=CCC[C@H](C)Nc1cccc(NC(=O)OC(C)(C)C)c1C 702732766 SDNKDUORQJEJGR-ZDUSSCGKSA-N 304.434 5.109 30 10 DKEE CCCCCCCOC[C@H](NC)c1ccc(Cl)c(Cl)c1 709571748 YSUKEXJWTSFMHH-INIZCTEOSA-N 318.288 5.241 30 10 DKEE CCCCCCCCC[C@](C)(O)c1c(F)cccc1Cl 1919935433 PVSPFWGUKYHNEH-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE C=C(COCc1ccccc1)C1(O)CCCCCCCCC1 1922116808 UDLGVMYTWFLCJY-UHFFFAOYSA-N 302.458 5.015 30 10 DKEE C[C@@H](CC(C)(C)C#N)N(Cc1ccccc1)[C@H](C)C(C)(C)C 1931998610 NCWOSAGPFPLZOZ-DLBZAZTESA-N 300.490 5.252 30 10 DKEE CCCCCCCCC[C@@]1(N)CC[C@H]1OCc1ccccc1 1934897638 UUJXNHFALNSULR-WOJBJXKFSA-N 303.490 5.204 30 10 DKEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)C=C1CCCCC1 1983514242 IGQBTVNGSWKBGG-UHFFFAOYSA-N 315.413 5.107 30 10 DKEE C=C(c1ccccc1)[C@H](CCCOCc1ccccc1)NCCC 2020530214 JFMVXCGYKFLKBU-QFIPXVFZSA-N 323.480 5.065 30 10 DKEE CC1(CCNc2cc(Br)cc(C#N)c2)CCCCC1 2094204353 DPSYSZSNTZJUPR-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCC#CC[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2117451908 GGCGLEYHZFDBLL-CYBMUJFWSA-N 318.675 5.491 30 10 DKEE C=C1CC(C[C@@H](NCC)c2ccc(C)c(Br)c2C)C1 2125741769 HMSSKRJLEXEXJQ-MRXNPFEDSA-N 322.290 5.073 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(F)cc1Cl 2139426769 QGDGRCMGCDYSCZ-HNNXBMFYSA-N 306.252 5.754 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(C)c(Br)c1 2141913930 MYKCGIPOZMVZNO-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE CC[C@@H]1CC[C@](C#N)(Cc2csc(-c3ccsc3)n2)C1 2144694264 GIXIHCXCMJMOMD-MLGOLLRUSA-N 302.468 5.134 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(-c2cccs2)cs1 2206895850 YAUZJQPXZMLCKE-HNNXBMFYSA-N 306.496 6.037 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1cc(Cl)cc(Cl)c1 2237998753 SJRHMRUBWHLMSJ-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@@H](P(C)(C)=O)C1 2240658506 TZDKIDXBECJEOE-GVDBMIGSSA-N 301.455 5.259 30 10 DKEE CCC[C@](C=O)(CC)CN(Cc1ccccc1)Cc1ccccc1 2242050229 PHQMALLUHCWOII-JOCHJYFZSA-N 323.480 5.084 30 10 DKEE CC=C(CC)C(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243563675 HAAQNRPJDHWNOP-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE CC(=CC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 2297331902 XHWHFPIARDLXNZ-UHFFFAOYSA-N 306.192 5.192 30 10 DKEE C=CCC(CC=C)N[C@@H](CC)c1cccc(Br)c1 2313545293 UPVXVHUMHPAKCI-INIZCTEOSA-N 308.263 5.011 30 10 DKEE CCSc1ccc(C(CC)=NOCc2ccc(C)cc2)cc1 2330293207 DJMRXXCBZCSSRH-UHFFFAOYSA-N 313.466 5.438 30 10 DKEE CC(C)c1ccc(C(=NOCc2ccccc2F)C2CC2)cc1 2330303391 OZFFVQOUMOADFM-UHFFFAOYSA-N 311.400 5.280 30 10 DKEE CCCC#CC[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366415759 VQVJAPFZZOBAFY-HNNXBMFYSA-N 316.247 5.367 30 10 DKEE CC1(C)C[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)CO1 2366899701 KQZSCZXEFYYILJ-MRXNPFEDSA-N 312.240 5.025 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2377323282 CNSNKMHZGVDPCA-INIZCTEOSA-N 318.263 5.920 30 10 DKEE Cc1ccc(C)c(S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1 37155823 HFZATPNLDKJTEB-JFIYKMOQSA-N 301.499 5.750 30 10 DKEE Cc1cc(Oc2ccc(C#N)c(C(F)(F)F)c2)ccc1Cl 37306480 BGFZAUDYKCWSFH-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCCCCCC[C@@](CC)(CCCC)[C@@H](C#N)C(=O)OCC 100286116 WCNMOCUDNHOEHP-PKOBYXMFSA-N 309.494 5.636 30 10 DKEE CCCCCCCOc1ccc2cc(Br)ccc2c1 104169154 MRAXWDSTXQQMQQ-UHFFFAOYSA-N 321.258 5.952 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)ccc1C(=O)OC 109785777 VUPFQDRQXMRVEQ-ZDUSSCGKSA-N 311.853 5.288 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(F)cc1Cl 109900786 TZKPCGFTRVVFMJ-GFCCVEGCSA-N 321.848 5.930 30 10 DKEE CCCCCCCCCNC(=O)c1ccc(C(C)(C)C)cc1 110181666 DAMOCKLQJBJKEU-UHFFFAOYSA-N 303.490 5.465 30 10 DKEE CCCCCCCCCC[C@H](CNC)c1cccc(Cl)c1 118855722 ZJYUMIPMPBPWTQ-GOSISDBHSA-N 309.925 6.174 30 10 DKEE Cc1cc(Nc2cc(Cl)c(Cl)cc2Cl)ccc1C#N 133319364 INVIQWAEKUXZDP-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCCCCC(=O)[C@H]1SCCS[C@H]1C 135669084 APCFQHUIXSVHAU-HOCLYGCPSA-N 302.549 5.323 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(C(F)(F)F)ccc1F 164696178 SQGLOFKXRRJFDW-OAHLLOKOSA-N 303.343 5.242 30 10 DKEE CCCCCCCCCC[C@@H](CCCCC)c1ccccc1 205296474 NHVDXOZMZHYLAS-OAQYLSRUSA-N 302.546 7.881 30 10 DKEE Cc1scc(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)c1C 399776373 QKSWKHKLZNNJDD-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE Cc1ccc(N=C2NC3(CCCCC3)CCS2)c(Cl)c1 687320968 GEFPIZLRRNSYSS-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE C=CCCC[C@H](C)N[C@H](C)c1cc(Cl)cc(Cl)c1F 692298425 LWEPBAVLZMBPNJ-WDEREUQCSA-N 304.236 5.528 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCC1)[C@@H](C#N)C1CCCCC1 710755917 ATDYKQLQHMJROJ-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE CC/C(=N\OCc1ccccc1F)c1ccc2c(c1)CCCC2 821217781 IPKHFMLGWXPIPN-LSDHQDQOSA-N 311.400 5.035 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1c(Cl)cc(N)cc1Cl 1914936323 SXQBGSUTQWQOBP-UHFFFAOYSA-N 321.251 5.158 30 10 DKEE C#C[C@@H]1CC[C@H](N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 1918870858 FIXJFBCYNCRPIC-AXFHLTTASA-N 316.659 5.099 30 10 DKEE N#Cc1ccc(F)c(CN(Cc2ccccc2)C2CCCCC2)c1 1946852921 YCVRIUKPAXGBQK-UHFFFAOYSA-N 322.427 5.032 30 10 DKEE CCCCCCC[C@H](O)c1c(Br)sc(C)c1C 1951007518 BRTDDBJFNUGTMK-LBPRGKRZSA-N 319.308 5.521 30 10 DKEE FC(F)c1ccc(C(F)(F)F)c(OC(F)(F)F)c1Cl 2054959221 BFRIDUJDUSLSBD-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CCCCCC#CCC[C@H](NC)c1cccc(Br)c1 2138994864 VCSVIZVBPSTUBO-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)c2cscc2Cl)C1 2146171021 RYYBOQLINBLNCP-ZDUSSCGKSA-N 311.878 5.181 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1cc2sccc2s1 2149857920 NIAUCIOKNOMODD-CQSZACIVSA-N 303.496 5.197 30 10 DKEE CCCCCCCCCCCC[C@]1(O)CCS[C@H](C)C1 2151689834 AYVJAPISZNCYET-MSOLQXFVSA-N 300.552 5.944 30 10 DKEE CCCCCCCCCCCC[C@@H](CCSCC)NC 2164082365 CXUIMWLOZAPBCT-SFHVURJKSA-N 301.584 6.029 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1cc(Cl)c(F)c(Cl)c1F 2200734958 YMNPYRLECVXPTD-WPRPVWTQSA-N 319.182 5.156 30 10 DKEE C=CCCCCCCCC[C@]1(O)CS[C@@H](C(F)(F)F)C1 2207413501 KJLZDAPUIJOASO-ZIAGYGMSSA-N 310.425 5.092 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OCCCCC(C)(C)C#N 2224414073 NETMMADUAFQWIR-UHFFFAOYSA-N 300.229 5.401 30 10 DKEE N#Cc1cc(Cl)ccc1SC12CC3CC(CC(C3)C1)C2 2238176960 DYFRDCDBBKNOCR-UHFFFAOYSA-N 303.858 5.273 30 10 DKEE SCC1(CSCCCCCCC2CC2)CCCCCC1 2239540405 NTMOKLOQWGJBSF-UHFFFAOYSA-N 314.604 6.351 30 10 DKEE C=C(C)CC[C@@H](O)c1c(Cl)cc(Br)cc1Cl 2243525636 CDPXXAHLMTZHSZ-LLVKDONJSA-N 324.045 5.146 30 10 DKEE CO[C@@H](CSCCCCCCCCCS)CC(C)(C)C 2287236437 ZLXPWTUTBLWSQP-MRXNPFEDSA-N 320.608 5.831 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cnc(C(C)(F)F)s1 2289296810 ZOAIUNBNIQPRMF-GFCCVEGCSA-N 302.434 5.171 30 10 DKEE Cc1cc(C)c(C(=O)C=Cc2ccc(-c3ccccc3)o2)cc1C 2297330387 ZKUBQHFHVMNPLS-UHFFFAOYSA-N 316.400 5.768 30 10 DKEE C=C[C@H](C)C[C@@H](CCCc1cc(Cl)cc(Cl)c1)NC 2341152046 JQVKNZPLYWQQPD-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE CCCCCc1ccc(-c2ccc(C(=O)OCCC#N)cc2)cc1 3108525 YRJJOPMRYGKASF-UHFFFAOYSA-N 321.420 5.157 30 10 DKEE Cc1c(/C=N/c2ccc(-c3ccccc3)cc2)c2ccccc2n1C 59249148 PXIWRQADUSYCOF-LFVJCYFKSA-N 324.427 5.904 30 10 DKEE CCCCCOc1ccc(C(=O)/C=C/c2cccs2)cc1 83204808 BWXKZRKYTWVXJL-VAWYXSNFSA-N 300.423 5.213 30 10 DKEE Cc1nsc(Nc2cc(Cl)c(Cl)cc2Cl)c1C#N 92912192 NQUQDJRHNOKJQR-UHFFFAOYSA-N 318.616 5.027 30 10 DKEE Fc1ccc(SCCCCCCCCCS)c(F)c1 97800088 JBTIJQBUKHUHFG-UHFFFAOYSA-N 304.471 5.717 30 10 DKEE CCCCCCCC/C=C/CCCCCCCCC(=O)OCC 100168606 AGINKADZMKGAEZ-VAWYXSNFSA-N 324.549 6.977 30 10 DKEE CCCCCCC[C@H](C)Nc1ccccc1SC(F)(F)F 109780125 HZZPCUZOAHPPLI-ZDUSSCGKSA-N 319.436 6.459 30 10 DKEE CCCCCCCCCCCC[S@@](=O)c1ccc(F)cc1 113941483 QJEBCCQWOQGKJW-NRFANRHFSA-N 312.494 5.854 30 10 DKEE CCCCCCCCCCC[C@H](CCc1cccs1)NN 123245853 CQXBNKQWDQZVBZ-QGZVFWFLSA-N 310.551 5.434 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1cc(Cl)sc1Cl 387503684 CYVJVHCXNBBQOP-ZDUSSCGKSA-N 322.301 5.077 30 10 DKEE C=CCC[C@@H](NCCC)c1cccc(NC(=O)OC(C)(C)C)c1 406856902 QHEXLCXZGAUOQF-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CCCCCCCCC[C@@H](C#N)N(CCC)C(=O)OC(C)(C)C 698966433 SLHHCPJMUGDBAT-KRWDZBQOSA-N 324.509 5.666 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 715733086 NBLBMSQAKWTHMM-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE CCO[C@H]1CCC[C@H](OCCCCCCCCCS)C1 721506221 CVWCNJNBNNHJMS-IRXDYDNUSA-N 302.524 5.011 30 10 DKEE CCN(CC)c1ccc(C=Nc2ccc(Cl)c(Cl)c2)cc1 1084404379 YDLSUTBSBDUAQS-UHFFFAOYSA-N 321.251 5.590 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Br)sc1CC 1943023331 ADVYODSKOGTJRP-GFCCVEGCSA-N 318.324 5.433 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Br)c(Cl)s1 1978546996 DZDWUVLVKXMGTM-LDYMZIIASA-N 322.699 5.027 30 10 DKEE CCCCCCC[C@]1(N)CCN(Cc2ccccc2)C(C)(C)C1 1992882579 GITJVVSJAOJZGX-NRFANRHFSA-N 316.533 5.119 30 10 DKEE C=CC1(CC(=O)c2ccc(Cl)cc2Br)CCC1 2002619252 CSFUQQUFJLQDDR-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE C=CC1(CCc2ccc(Cl)c(Br)c2F)CCC1 2002621058 UQAANIJOHMAULP-UHFFFAOYSA-N 317.629 5.531 30 10 DKEE C=CCCCCCNc1cc(Br)c(Cl)cc1C 2023940662 RXDGQXOXXGPXST-UHFFFAOYSA-N 316.670 5.569 30 10 DKEE C=CC[C@H](C)C[C@@H](NCCC)c1cccc(Br)c1 2050519171 PXRLZIIKGKHZAS-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE CC1(C)CCC[C@@](C#N)(C[C@@]2(Br)CC2(F)F)CC1 2082495344 XPUKQRUQJKUKBD-QWHCGFSZSA-N 320.221 5.049 30 10 DKEE C=C([C@H](Cc1c(Cl)cccc1Cl)NCC)C(C)(C)C 2096621684 PLVREKFUQXQXQH-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C=C[C@H](N[C@@H](c1cccs1)c1ccc(Cl)s1)C1CC1 2102004904 BGVQBAAVLBSTIF-NHYWBVRUSA-N 309.887 5.107 30 10 DKEE C=CC1(C[C@@H](NCCC)c2ccccc2Br)CCC1 2111720233 PSKFXKQAVUEEGA-MRXNPFEDSA-N 322.290 5.236 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(C)cc1Cl 2136684446 JLXNNSWPQLHHTC-INIZCTEOSA-N 303.273 6.086 30 10 DKEE CCCCCC#CC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2138948397 LEQFBACTODTUJE-ZDUSSCGKSA-N 319.659 5.654 30 10 DKEE CCCCCC#CCOc1ccc(Br)cc1C(C)C 2139052973 PKUALECUOYTOSV-UHFFFAOYSA-N 323.274 5.535 30 10 DKEE CCCCCCCCC[C@H](O)c1cc2sc(C)cc2s1 2156565106 PBUNQOBPKWSIJQ-AWEZNQCLSA-N 310.528 6.445 30 10 DKEE C=CCCCCCC[C@@H](O)c1scc(Br)c1C 2213776140 XPAKCGVGCXOYHW-CYBMUJFWSA-N 317.292 5.379 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1cc(Cl)cc(Cl)c1 2235542697 VGHWNXOJUBQQFD-QGZVFWFLSA-N 314.300 5.780 30 10 DKEE Cc1cc(Cl)cc([C@H](C)Nc2ccc(C#N)cc2Cl)c1 2237994855 JCCUCFDNVPCCQK-NSHDSACASA-N 305.208 5.347 30 10 DKEE N#Cc1cc(Cl)ccc1SC[C@H]1CCCCC1(F)F 2267997733 ZAAKOKKYZGKJNP-LLVKDONJSA-N 301.789 5.129 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1cccc(Cl)c1Cl 2292886170 UNAJDGQDTCZWGK-OAHLLOKOSA-N 316.272 5.146 30 10 DKEE CCCCCCCCC=CCCCCCCCCOC(C)=O 2293394457 GYGAZRPDUOHMAF-UHFFFAOYSA-N 310.522 6.587 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2295244925 LAIHFTPIKXNYBK-RYUDHWBXSA-N 303.393 5.082 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1ccsc1Cl 2295677753 DNUPAOLGJKDTFD-HOCLYGCPSA-N 317.926 5.293 30 10 DKEE CCOc1cc(C)c(Cl)cc1C(=O)C=Cc1sccc1C 2295967838 BNMMTBURWCKPLV-UHFFFAOYSA-N 320.841 5.313 30 10 DKEE CCCCc1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)cc1 2296875832 HFAKDOOZJAPJQA-UHFFFAOYSA-N 321.464 5.961 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCC2 2330481556 PGWGLGCLHSTCAR-UHFFFAOYSA-N 321.464 5.414 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345153581 MKYVXBXCPQRJCJ-NSHDSACASA-N 307.837 5.736 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Cl)c(C(=O)OC)c1 59419311 BXDWPDBKYJIYQI-CYBMUJFWSA-N 311.853 5.288 30 10 DKEE CCOc1c(C(C)(C)C)cc(C[C@H](C)CS)cc1C(C)(C)C 107630867 PJFIFOKPXJLBKN-AWEZNQCLSA-N 322.558 5.789 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(Cl)cc(Cl)c1 115653312 BKOYEXMMFYLIPO-QGZVFWFLSA-N 317.300 6.558 30 10 DKEE CCCCCCCCCC[C@H](NN)c1sccc1Cl 122643150 UWNQHAUDBLOWMO-AWEZNQCLSA-N 302.915 5.437 30 10 DKEE CCSc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)s2)cc1 134879261 JABVVIPQCQDAHV-CHWSQXEVSA-N 316.495 5.144 30 10 DKEE CCSc1cccc(Nc2ccc(C)c(Cl)c2)c1C#N 136605180 UEFGJWBBBQMNFW-UHFFFAOYSA-N 302.830 5.376 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)c(OCC)cc1Cl 164422561 AJNWDGFIYQOIGE-HNNXBMFYSA-N 319.272 5.786 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(Cl)c(Br)c1 236302865 HWNJKTIZDYECQE-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(C#N)cc1 244166891 VBFBLOSFIXDQQD-UHFFFAOYSA-N 321.424 5.449 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1csc(Cl)c1 378990582 BOBVXOAEVRYPMW-INIZCTEOSA-N 316.938 6.226 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccccc1OCc1ccccc1 382045798 KOCXLASEGRTDLH-FQEVSTJZSA-N 309.453 5.273 30 10 DKEE CCCCCCCC(=O)CC(=O)c1c(Cl)cccc1Cl 400815499 CEVRXVJFNUOKKG-UHFFFAOYSA-N 315.240 5.496 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1Nc1ccccc1C#N 691159456 PTWHEHBSCFLMDA-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(C)ccc1Br 715776797 XYVXILCDDNCCSO-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cscc1C(F)F 720281980 QGWIWNPUVBQQEU-OAHLLOKOSA-N 303.462 6.087 30 10 DKEE N#CCc1csc2c(C(F)(F)F)c(C(F)(F)F)ccc12 725324244 ARBNYAOCHHSFMJ-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE Cc1cc(C)c(C#N)c(Nc2c(C(C)C)cccc2C(C)C)n1 1859842170 ZSMIYKOSHIGBPN-UHFFFAOYSA-N 307.441 5.561 30 10 DKEE CCCCOc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871398662 XAKHPKGVCLXEOO-QBWRGEQUSA-N 320.388 5.038 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1ccc(CC)cc1 1874572764 DLARVCYSNIGPEL-BUHFOSPRSA-N 306.405 5.100 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(Cl)cc1Cl 1892439714 WLHHXUHAQNKRSK-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)ccc1Cl)[Si](C)(C)C 1922967524 GRUXUYYWFPGZJC-HNNXBMFYSA-N 316.348 5.468 30 10 DKEE C=CCC[C@H](C)Nc1cccc([C@H](C)NC(=O)OC(C)(C)C)c1 1925146133 UHWIVUXKMSCKEU-GJZGRUSLSA-N 318.461 5.039 30 10 DKEE CCCCCCC[C@]1(N)CC(C)(C)[C@H]1OCc1ccccc1 1934859127 DSEUWFWVMNEVOG-QUCCMNQESA-N 303.490 5.060 30 10 DKEE CCCCCCCCN(C)Cc1sccc1Br 1950838413 IJGQWEMSEMOKSB-UHFFFAOYSA-N 318.324 5.303 30 10 DKEE C=C1CCC(CC(=O)c2cc(Br)c(C)s2)CC1 2000190858 UNFJVHGCFSZANZ-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CCCN(CCCOc1cc(C)cc(C)c1)Cc1ccccc1 2019347079 YTQZKUVUUUYUFX-UHFFFAOYSA-N 323.480 5.151 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccc(C)c(C)c1 2070123126 FLJRBFNPPAVIHI-KRWDZBQOSA-N 306.453 5.138 30 10 DKEE FC(F)c1ccc(OC(F)(F)F)cc1SC(F)(F)F 2081021679 FRLOIBIMNQAQLF-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE C=CCCCCCCCCNCc1coc(Br)c1 2086261062 HMFLSFDKDTVBMB-UHFFFAOYSA-N 314.267 5.048 30 10 DKEE CCCC[C@](C#N)(CC)CCOc1cccc(Br)c1 2108206746 OCIQILVTCNRTAT-MRXNPFEDSA-N 324.262 5.328 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2138636297 ZYKWIYUKGZDNLW-ZDUSSCGKSA-N 302.245 5.009 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Cl)cc(F)c1F 2179675905 AZBXNXDYWBQQNT-HNNXBMFYSA-N 301.808 5.405 30 10 DKEE C=C1CC([C@@H](NCCC)c2c(Cl)ccc(Cl)c2OC)C1 2204236507 QRRDOUKQEGHIIY-OAHLLOKOSA-N 314.256 5.009 30 10 DKEE C=CCCCCCCC[C@@H](O)c1csc(Br)c1 2214614328 YCABRJFSWLORHA-CYBMUJFWSA-N 317.292 5.461 30 10 DKEE SC[C@H](CSc1nc(-c2ccccc2)cs1)CC1CC1 2234270402 FOQBKIZFXZGISA-CYBMUJFWSA-N 321.536 5.248 30 10 DKEE CCCCCCCCC[C@](C)(CN)N(CC)Cc1ccccc1 2246052240 IREGPDSVZQEXLI-OAQYLSRUSA-N 318.549 5.367 30 10 DKEE C=C(C)CCCC[C@@H](O)c1sc(C)c(C)c1Br 2250151834 JSVMBJVRWZAXIC-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE C=C[C@@H](C)CC(=O)c1cc(Br)cc(C(C)(C)C)c1 2260191025 COVWAUDFPFQDKP-LLVKDONJSA-N 309.247 5.142 30 10 DKEE C=C(C)CCCC[C@@H](Cc1cccc(Br)c1)NCC 2271792182 SDUZIYZILVYUIB-KRWDZBQOSA-N 324.306 5.106 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1cc(Cl)sc1Cl 2274132533 ZTDUDHOTSIRYFI-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE CCCCCCCCC[C@H](C)Nc1cc(Cl)cc(Cl)c1 2295671478 QWMSYHCRVNCBMF-AWEZNQCLSA-N 316.316 6.935 30 10 DKEE CN(C)c1ccc(C=N[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 2297452816 UJOMJJHNDJDJKO-NYVOZVTQSA-N 322.496 5.231 30 10 DKEE C=CC1(NCCCc2cc(Cl)cc(Cl)c2)CCCCC1 2366839889 VEUSFCMYBNPDPX-UHFFFAOYSA-N 312.284 5.405 30 10 DKEE Cc1cc(C)c([C@@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@H]32)c(C)c1 14457660 FOSHDZGXHUQFSB-NJNPRVFISA-N 314.432 5.310 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl 44268579 ASYHHTWCYXOKIA-GFCCVEGCSA-N 324.594 5.137 30 10 DKEE N#C[C@@H](C(=O)c1cc2ccccc2s1)c1cccc(Cl)c1 48855681 WEXVYPDJKLBDBO-CQSZACIVSA-N 311.793 5.045 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(SC(F)(F)F)cc1 109875171 IGNPXRQIEGCYJC-CYBMUJFWSA-N 319.436 6.459 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1sc(C)nc1C 111361427 HFMDXGYCKNKPDN-LBPRGKRZSA-N 304.484 5.211 30 10 DKEE CCCCCCCC[C@@H](NN)c1cccc(Cl)c1Cl 122382466 BSFQSZSKCYJTAG-CQSZACIVSA-N 303.277 5.248 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1cccc(C#N)c1N 125747469 KTKFYOZUVKELCD-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE C=CCC[C@@H](C)Nc1c(Cl)cc(Br)cc1Cl 131939403 MVFNOAZRFHSAPY-MRVPVSSYSA-N 323.061 5.523 30 10 DKEE CCCC(CS)(CCC)COc1ccc(Cl)c(F)c1F 396622109 HTRQFUMUXMVBQC-UHFFFAOYSA-N 322.848 5.513 30 10 DKEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(F)cc1 710812653 IMSNOFQQRDMHDU-GOSISDBHSA-N 320.408 5.040 30 10 DKEE CC1(C)CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 712343290 CZLYVTUSVHFPDK-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=C1CCC(CNc2cc(Cl)c(Cl)c(Cl)c2)CC1 724585232 DOAMTBZOUHTAGU-UHFFFAOYSA-N 304.648 5.805 30 10 DKEE CN(c1ccccc1)c1ccc(C=NNc2ccc(F)cc2)cc1 1084049818 OGIREZWHTGHGIR-UHFFFAOYSA-N 319.383 5.040 30 10 DKEE Cc1cc(C)cc(-n2c(C)cc(C=Nc3cccc(O)c3)c2C)c1 1084588535 XGJMAUQSJFRQJT-UHFFFAOYSA-N 318.420 5.167 30 10 DKEE CC[C@@](C)(C#N)[C@@H](O)c1ccc(-c2ccccc2Cl)s1 1921043882 AXRCIQBQQPHVQE-HOTGVXAUSA-N 305.830 5.042 30 10 DKEE CCCCCCC[C@H](O)c1cc(C)sc1Br 1939959482 QSSIJRAOTNJHOJ-LBPRGKRZSA-N 305.281 5.213 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@H](CS)CC1CC1)C(C)(C)C 1961122408 FVYNMTBSRHLIQT-QFBILLFUSA-N 319.558 5.269 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)C1CCCC1 1981292448 SNCWGJLEVQYGCV-UHFFFAOYSA-N 315.501 5.217 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)CC(F)F 1995318725 GZHYALOLIKIERJ-UHFFFAOYSA-N 323.471 6.061 30 10 DKEE CC#CCCCC[C@H](NC)c1cccc(OCc2ccccc2)c1 2019497200 CMBIUOHRJYCUIO-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE CCCCC#CC[C@H](NC)c1ccc(OCc2ccccc2)cc1 2024387258 RCJXIFLGSAKDLQ-QFIPXVFZSA-N 321.464 5.110 30 10 DKEE CCCCCCCCNc1cc(C)cc(Br)c1F 2028932888 HWNVZCBAULUZEY-UHFFFAOYSA-N 316.258 5.669 30 10 DKEE CCCCCCC[C@H](C)NCc1snc(Cl)c1Cl 2048346133 MEMMLLNMXVWQRN-JTQLQIEISA-N 309.306 5.289 30 10 DKEE CCCCCCCCOCc1nc(C)ccc1Br 2049901664 OGLDAHLYTNSPDN-UHFFFAOYSA-N 314.267 5.030 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)cc1F 2085842658 SYATXGOYLDXETF-HNNXBMFYSA-N 314.242 5.115 30 10 DKEE C=C1CC([C@@H](NCCC)c2cc(Cl)c(Cl)cc2Cl)C1 2136600335 GOUWIXDZQKDOFZ-OAHLLOKOSA-N 318.675 5.654 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1ccc(Cl)s1 2142442144 SJBHOJBQLVWGCK-CQSZACIVSA-N 300.895 6.132 30 10 DKEE CCCCCCCC(=O)[C@@](C)(O)c1c(Cl)cccc1Cl 2147061001 OIJRMQQKWRVJAQ-MRXNPFEDSA-N 317.256 5.131 30 10 DKEE C=C([C@H](NC)c1ccc(Cl)cc1C(F)(F)F)C(C)(C)C 2152953395 UBCFEESMJFAAPX-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE CCCCCCCCCC[C@]1(O)CC[C@@H](P(C)(C)=O)C1 2160808139 VRCAYRJVTNCXFJ-SJORKVTESA-N 302.439 5.424 30 10 DKEE C=C([C@H](N)c1ccc(-c2ccc(Cl)cc2)s1)C(C)(C)C 2164005974 HNEOMSXHKGYNKO-INIZCTEOSA-N 305.874 5.671 30 10 DKEE C#CCC[C@@H](NCC)c1ccc(-c2ccccc2Cl)s1 2164103986 DTFACHIHZHFWOU-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=C(CC)C[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164166470 UHBUOCZWRDXSIN-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cc3cscc3s2)CCC1 2168022938 IOSQLHZUABNSJR-CQSZACIVSA-N 305.512 5.750 30 10 DKEE CC[C@@](O)(c1ccc(Cl)c(Cl)c1)[C@](C#N)(CC)C(C)C 2184378255 KCPHEYZNVICLKU-JKSUJKDBSA-N 314.256 5.167 30 10 DKEE Cc1cc(C)cc(CSc2cc(Cl)c(F)cc2C#N)c1 2184420223 ODICAWTVCSDBLT-UHFFFAOYSA-N 305.805 5.260 30 10 DKEE CCCCCCCC[C@H](C[C@@H](C)P(C)(C)=O)NCCC 2192512275 IRRPVISKSYQHTG-IAGOWNOFSA-N 303.471 5.507 30 10 DKEE CCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)NC 2240476861 CAHHMEPYVAHVCI-GFCCVEGCSA-N 303.359 5.303 30 10 DKEE CCCCCCCCC[C@](C)(O)c1sc(Cl)nc1Cl 2278168118 BCWUXTKAPVHSRD-AWEZNQCLSA-N 324.317 5.798 30 10 DKEE CCCCCCC[C@@H](OCCC(=O)O)c1ccsc1Cl 2290916749 CAANWQUFASCLDP-CYBMUJFWSA-N 318.866 5.294 30 10 DKEE CCCCCCCCC[C@](C)(O)C(=O)c1csc(Cl)c1 2295600837 HRGYAKDXMXTUSF-INIZCTEOSA-N 316.894 5.476 30 10 DKEE C=CCCCCOc1ccc(Br)cc1C(C)(C)C 2318512584 SATKTEWPQQVJIA-UHFFFAOYSA-N 311.263 5.482 30 10 DKEE C[C@@H](CCS)CCOc1ccc(C(F)(F)F)cc1Cl 2341121738 KGWPCZZJAZKTHN-SECBINFHSA-N 312.784 5.084 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2344337282 PHQPKWHGUUYXMU-BMIGLBTASA-N 320.691 5.900 30 10 DKEE C=C[C@](C)(CCCc1cc(Cl)cc(Cl)c1)CNCCC 2366907155 YFDXZIQEAJFIJS-QGZVFWFLSA-N 314.300 5.508 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](Sc2ccc(C(C)(C)C)cc2)C1 37156500 RRTUDLPOEMPMOD-RLFYNMQTSA-N 301.499 5.795 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(F)cc1Cl 109714662 KOIXKQFHHVJTIP-QGZVFWFLSA-N 300.845 6.043 30 10 DKEE N#Cc1c(F)cccc1NCc1sc2ccccc2c1Cl 109773980 PMVUEVOOBSVNPW-UHFFFAOYSA-N 316.788 5.178 30 10 DKEE CCCCCCCC[C@@H](CCCCCC)COP(=O)(O)O 114732118 YPFIYMHYZDIPAR-MRXNPFEDSA-N 322.426 5.433 30 10 DKEE CCCCCCCNc1cc(Cl)ccc1Br 123541390 FFOIGOQOHOKPCL-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE CCCCCCC[C@@H](NCCC)c1snnc1C(C)(C)C 139624570 GRRBLRQTTOETFY-CQSZACIVSA-N 311.539 5.237 30 10 DKEE CCCCCCCCCCCCCCCc1ccc(N)cc1 144172251 YDDQQMZUTLFLEH-UHFFFAOYSA-N 303.534 6.903 30 10 DKEE CCCCCCCCCCCCOc1ccc(Cl)c(F)c1 147779777 MVVFUCSCCPCQFD-UHFFFAOYSA-N 314.872 6.779 30 10 DKEE CCCCCCCC(=O)c1c[nH]c2c(Br)cccc12 703905258 QDTXTJXKHCDMDG-UHFFFAOYSA-N 322.246 5.474 30 10 DKEE C=C1CCC(C[C@H](NCC)c2ccc(Br)cc2)CC1 724549896 RQZOEVKWUVNMIC-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE CC[C@H](C#N)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 725426109 LFBSIXBJDAEXMH-GFCCVEGCSA-N 305.299 5.515 30 10 DKEE C=C(CC)CC(=O)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925621344 DCUYMYQXGDMLRB-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE CC(C)(C)[C@@H](CS)CN(Cc1ccccc1)C1CCCCC1 1932028312 BCNAAMHHIGKUPA-GOSISDBHSA-N 319.558 5.413 30 10 DKEE C=CC[C@H](CC)N[C@@H]1CCC(C)(C)C[C@H]1OCc1ccccc1 1977483894 FOURYWLLIOXGGV-XUVXKRRUSA-N 315.501 5.095 30 10 DKEE C=CCCCCCC[C@]1(N)CCCC[C@H]1OCc1ccccc1 1995174283 YCBKHJDSGXYMBE-RTWAWAEBSA-N 315.501 5.370 30 10 DKEE C=CCCCCCCCCOCC[C@H](C)NCc1ccccc1 1995326380 XOTPRJOZQGDFAX-FQEVSTJZSA-N 317.517 5.488 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@@H](C)c1cccc(C2CC2)c1 2070156727 IJUFZPUYXWRESQ-INIZCTEOSA-N 312.416 5.018 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Cl)ccc1Cl 2102112418 SHQLTEHHUPXKGW-WBMJQRKESA-N 300.273 5.636 30 10 DKEE Cc1ccc(C(=O)C2=CC[C@@H](C(C)C)CC2)cc1Br 2125203734 MOKCFCRJGLVONM-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1ccc(SC)s1 2149699566 WGSNVNZTBCGERF-OAHLLOKOSA-N 313.576 6.261 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cc(Cl)ccc2Cl)CC1 2157104268 FEMWDVZIAHYELH-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE CCCCCCC[C@H](C)NCc1cc(C(F)(F)F)cs1 2161224883 DZOUTUJVSWWNRV-LBPRGKRZSA-N 307.425 5.606 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1cc(Cl)cc(Cl)c1)C1CC1 2196846692 BOFLWZCNWGCVGS-CXAGYDPISA-N 310.268 5.084 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)c(F)c(Cl)c2F)c(F)c1 2200730976 YCSNNZZDBNIKPP-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCCCCCCCSc1cc(Cl)ccc1N 2207406298 WTHITDILVCDGGN-UHFFFAOYSA-N 311.922 6.321 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@@H]1CC[C@H]2CCCC[C@H]2C1 2212375411 CEKAEFMZEYAIBJ-VSKRKVRLSA-N 311.513 5.671 30 10 DKEE CCCCCCCCCCOc1ccncc1Br 2223215942 PPXIENAPHRRIJY-UHFFFAOYSA-N 314.267 5.364 30 10 DKEE C=CCCCCCC(=O)c1scc(Br)c1Cl 2242695503 PRFVFRNVGJRIDD-UHFFFAOYSA-N 321.667 5.483 30 10 DKEE C=C(C)CCCC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2271753473 MZKGBYOQYXYOSZ-ZDUSSCGKSA-N 320.691 6.044 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1csc(Cl)c1OC 2284266443 ZUXVRSPPABRILJ-CQSZACIVSA-N 313.894 5.035 30 10 DKEE C=CCCCCCCCS[C@@H](C)CC(C)(C)C(=N)NO 2287096236 IVLZAWKBCMZIRC-AWEZNQCLSA-N 300.512 5.007 30 10 DKEE C=CCCCCCCC[C@H](N)c1nc(C(C)(F)F)cs1 2296175859 DNTSGFSWJTXNID-LBPRGKRZSA-N 302.434 5.171 30 10 DKEE C=CCN(CC=C)N=Nc1ccc(OCCCCCC)cc1 2318776100 XEDXZNAKMSISCH-UHFFFAOYSA-N 301.434 5.318 30 10 DKEE CC(C)Oc1c(Cl)cc(C=NNc2ccccc2)cc1Cl 2322922472 YFZGNOGDGAGPFR-UHFFFAOYSA-N 323.223 5.227 30 10 DKEE Cc1c(Cl)ccc([C@@H](C)[C@@]2(C#N)CCCS2)c1Cl 2327958916 OTJHBIYPQSBMGT-YGRLFVJLSA-N 300.254 5.195 30 10 DKEE CCCCCCCCC[C@H](O)c1c(Cl)cc(F)cc1Cl 2360402845 UTISDSBIPUUGQV-HNNXBMFYSA-N 321.263 6.307 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)c(Cl)c1 2365078542 MFYTXBGNSAWHAA-BBRMVZONSA-N 310.268 5.084 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1C)N2 14478888 QSMQKHUGSNJSNU-CNNODRBYSA-N 317.432 5.386 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2ccccc2C(F)(F)F)cc1C 103030756 NIQCPEWTXPSMOJ-KTKRTIGZSA-N 319.326 5.131 30 10 DKEE C=C(CNc1ccc(C(F)(F)F)cc1Cl)c1ccccc1 148040017 XEDGFZWPCQVXBC-UHFFFAOYSA-N 311.734 5.484 30 10 DKEE CCCCCCC[C@@H](N)c1cc(C)c(Br)c(C)c1 158693808 RSFKKVCUQOBOOI-OAHLLOKOSA-N 312.295 5.426 30 10 DKEE CCCCCCCCNc1cc(Br)cc(C#N)c1 227626049 VWFCDQSWILVHLU-UHFFFAOYSA-N 309.251 5.093 30 10 DKEE CC(C)(CCC#N)CNc1ccccc1SC(F)(F)F 229675322 YHYWGDCSHISHMO-UHFFFAOYSA-N 302.365 5.040 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccsc2Br)C1 389061168 JNEPHIJXKYZADC-SMDDNHRTSA-N 312.276 5.163 30 10 DKEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698876790 USJAXUMIKUXHEG-KRWDZBQOSA-N 322.493 5.419 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cc(Cl)cc(Cl)c1F 704006495 KNPFIRAQTVVEPS-LLVKDONJSA-N 318.263 5.776 30 10 DKEE CCCCCCCCOC[C@@H](N)c1cccc(Cl)c1Cl 708910552 QDPJKPGCGMCGSZ-OAHLLOKOSA-N 318.288 5.370 30 10 DKEE C=C1CCC(CNc2cc(C(F)(F)F)ccc2Cl)CC1 724566498 OBWZYEGLPOAVGC-UHFFFAOYSA-N 303.755 5.517 30 10 DKEE CCCCCCC[C@](C)(O)c1cccc(Br)c1F 1919910710 RTVWFXYFQJXCIP-HNNXBMFYSA-N 317.242 5.156 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(C)sc1Br 1939962421 LOZWELSUWQHTMK-NSHDSACASA-N 322.699 5.002 30 10 DKEE C=C(C)CC[C@H](NCCC)c1scc(C)c1Br 1950860828 VVUIQGUUNIRMNQ-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE CCN(C(=O)OC(C)(C)C)C1(C#N)CCC2(CCCCC2)CC1 1978512478 MJSJSDBFRXLLCV-UHFFFAOYSA-N 320.477 5.030 30 10 DKEE C=CCCCCCN(C)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 1990822657 HXHKBDWZKKIFIJ-UXHICEINSA-N 315.501 5.049 30 10 DKEE C=C(C(=O)c1cscc1OCc1ccccc1)c1ccccc1 1991750940 SUPDWNYMQVWSCP-UHFFFAOYSA-N 320.413 5.223 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(Br)ccc1F 2045998861 WIKJBCGHESMJHA-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE C=CCCCCCCNc1c(Cl)cc(Cl)cc1Cl 2085848482 ADMPAWXTZMZLBI-UHFFFAOYSA-N 306.664 6.195 30 10 DKEE CCCCCCCOC[C@@H](NCC)c1ccc(Cl)s1 2089274840 MVSSBMNRXJEFMI-CYBMUJFWSA-N 303.899 5.039 30 10 DKEE CCCCCCCCCCCCN[C@H](C)CSC(C)C 2144731415 URPZCPUVQPBAKZ-GOSISDBHSA-N 301.584 6.027 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@](C)(O)c2csc(Cl)c2)CC1 2157110279 DYYVXZSCUCKNCP-HOTGVXAUSA-N 311.878 5.109 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 2158329457 WSLOSNAILXAZAE-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2225679178 NLXWOPOUKILQPV-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CCCCCCCCN(C)c1cc(Cl)c(N)cc1Cl 2225905510 PNQQRWCCBOMOOV-UHFFFAOYSA-N 303.277 5.372 30 10 DKEE CCCc1ccc(C#C[C@@H](N)c2cc(Cl)c(Cl)s2)cc1 2239623296 VQKOCGSCJUBJQH-CQSZACIVSA-N 324.276 5.059 30 10 DKEE CCC[C@@](C=O)(CC)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 2244799676 CJQPJNPBHAJQIW-RXVVDRJESA-N 317.517 5.319 30 10 DKEE C=CCN(CC[C@H](C)CCCC(C)C)CC(=C)Br 2259682325 ULXOXXUYOWGGII-OAHLLOKOSA-N 316.327 5.236 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1scc(Cl)c1Cl 2273968839 NPRSWDGMXUEKSJ-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE CCCCCCC[C@H]1CCC(=Cc2cccc([N+](=O)[O-])c2)C1=O 2297563102 ZRIKPMJDLRUGKA-INIZCTEOSA-N 315.413 5.318 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@@H](C)NC)c(C)c1C 2302340029 FQZZWQZCUQWBGL-LJQANCHMSA-N 322.496 5.167 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Cl)cc1Br 2304058265 GULGWNRKKWKNOS-UONOGXRCSA-N 316.670 5.095 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cccc(Cl)c1C(F)(F)F 2370605010 XOVMLELPSBMTTB-UONOGXRCSA-N 306.755 5.385 30 10 DKEE Cc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)s1 584355 BFYOLDJUUJIWDL-OMCISZLKSA-N 304.629 5.767 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 20694875 DQTYJLYAOJCRSC-GPMSIDNRSA-N 306.796 5.038 30 10 DKEE C=CC/C=C/C/C=C\CCCCCCCc1cccc(O)c1O 31476668 RUWDFSXBACIZCV-HTKRNXBHSA-N 314.469 6.060 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(C)c(Br)c1 103976933 OUAHDEJTSMYOAN-CQSZACIVSA-N 312.295 5.918 30 10 DKEE N#Cc1ccccc1Oc1ccc2ccccc2c1Br 110465566 YNACAYKRKGYRJU-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCCCCCCSCC1(CC(=O)O)CC1 115876795 XSBAFKDSXJQJLP-UHFFFAOYSA-N 314.535 5.895 30 10 DKEE CCSc1cccc(N[C@@H](C)c2cc(C)oc2C)c1C#N 130542573 RQYODEGNIVQCBC-LBPRGKRZSA-N 300.427 5.053 30 10 DKEE CCSc1cccc(Nc2ccc(C)cc2Cl)c1C#N 136618654 URRQWFXYSXNIHR-UHFFFAOYSA-N 302.830 5.376 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cccc(F)c2Br)C1 157843888 ZZYPQNPHOOSSBP-LRDDRELGSA-N 324.237 5.241 30 10 DKEE CCCCCCCC[C@H](O)c1cccc(Br)c1C 168353791 TVBYGEXXEBTHCD-INIZCTEOSA-N 313.279 5.542 30 10 DKEE CCCC[C@H](CCC)Nc1cc(Br)cc(C#N)c1 226032653 DCCTUWHSTSEWES-AWEZNQCLSA-N 309.251 5.092 30 10 DKEE CCCCCCC[C@H](Cc1nc(C(C)(C)C)cs1)NCC 228754868 HSUWYRMVTHIHPU-OAHLLOKOSA-N 310.551 5.322 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Cl)cc(Br)c1 236063452 ZZJWPYYLJADALL-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE N#Cc1ccc(N[C@H]2CCCc3sc(Cl)cc32)c(Cl)c1 236085820 JFZZLISPINQRQU-LBPRGKRZSA-N 323.248 5.416 30 10 DKEE CCCCCCC[C@H](N)c1cc(F)c(F)cc1Br 310662968 WXNNYBDMHSDSTL-AWEZNQCLSA-N 320.221 5.088 30 10 DKEE CCCCCCCCC[S@@](=O)Cc1ccc(C(C)(C)C)cc1 526860664 ZEJKBBVCYLVJFJ-JOCHJYFZSA-N 322.558 5.983 30 10 DKEE CC1(C)CCCCC[C@]1(C#N)Nc1ccccc1Br 719204663 JCQWRJDQJDGFQQ-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE C=C1CCC(C[C@H](NC)c2csc(C(F)(F)F)c2)CC1 724590520 UHBZOWBFCLFOBK-ZDUSSCGKSA-N 303.393 5.164 30 10 DKEE Cc1cc(C)cc(C#Cc2ccc(Cl)cc2Br)c1 1614826667 JRMDQVREKVQIKC-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE C/C(=N\OCc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 1857935619 REZLCKOIXKBPBZ-KGENOOAVSA-N 315.844 5.578 30 10 DKEE CC1(C)CCC[C@@](C)(Nc2ccc(C#N)c(Br)c2)C1 1877821614 AMUHQJCIVRFXFE-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE C=CCN(Cc1ccccc1)c1cc(C)ccc1CNC(C)(C)C 1914934663 QUDXDPLWTDBJKH-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NC)c1cccc(C(C)(C)C)c1 1922087150 WNEUEWZDRCRDLS-OAQYLSRUSA-N 323.480 5.018 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1cc(C)sc1Br 1951019416 OLIWGBZMHRUDPT-GXFFZTMASA-N 316.308 5.072 30 10 DKEE C=CCCCCCCCCCN[C@H]1CCC=C1Br 2086282463 JCWSCPIZQSUIJZ-INIZCTEOSA-N 314.311 5.324 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC(C)(C)C1 2112240179 PEJJKJQWKUOAPD-GUYCJALGSA-N 320.274 5.663 30 10 DKEE Cc1cc(Cl)cc(Cl)c1Nc1cccc(Cl)c1C#N 2136384789 UEKKCJBZGKOICQ-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=C1CCC(C[C@@H](NCCC)c2cc(C)c(Cl)s2)CC1 2165432985 SYYVYYFIHKOTTL-OAHLLOKOSA-N 311.922 5.887 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc(F)cc(Cl)c1 2237813170 UGACUFSFTHUBHT-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE C=C(C)CC[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265945153 NAFFMFKTUOGNFT-QGZVFWFLSA-N 324.306 5.579 30 10 DKEE CCCCCCCCOc1cc(Cl)sc1CNC(C)C 2288276408 LBYMEUJGGCMSJL-UHFFFAOYSA-N 317.926 5.639 30 10 DKEE C(Nc1ccccc1)=C1C(=Nc2ccccc2)Oc2ccccc21 2296742083 PIVAFHFXTBFQQP-UHFFFAOYSA-N 312.372 5.262 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2299507725 MFQJYFACSZRJBX-XMSQKQJNSA-N 323.480 5.519 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 14551512 ZJWPSJXKQLJCAT-IPJJNNNSSA-N 317.432 5.468 30 10 DKEE CCOc1ccc2c(c1C)O/C(=C\c1ccc(C(C)C)cc1)C2=O 41431311 HVHMZOWRAVLBEV-UNOMPAQXSA-N 322.404 5.133 30 10 DKEE CC(C)[C@@H](CS)COc1c(Cl)cc(Cl)cc1Cl 94582313 IUCNAGSFTZJSOU-MRVPVSSYSA-N 313.677 5.228 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cccc(Br)c1 109706022 XGDYXDQMODJBMR-MRXNPFEDSA-N 312.295 5.374 30 10 DKEE N#Cc1ccc(Cl)cc1Oc1ccc(Cl)c2ccccc12 110262744 LKTKDLKBHYBPCV-UHFFFAOYSA-N 314.171 5.811 30 10 DKEE N#Cc1ccc(Cl)c(N[C@@H](c2cccs2)C2CCCC2)c1 127809770 INSILQZOUGRKRB-QGZVFWFLSA-N 316.857 5.617 30 10 DKEE CCSc1cccc(N[C@@H]2CCCC[C@H]2C(C)C)c1C#N 136689103 JJFQWYQOUYQXSM-GOEBONIOSA-N 302.487 5.297 30 10 DKEE CCCCCCCCCCCCOc1ccc(C(C)=O)c(O)c1 136751813 TUXDQGNVTATORJ-UHFFFAOYSA-N 320.473 5.895 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(C)c(Br)c1 159016158 SAYJATNDZPOCQX-MRXNPFEDSA-N 312.295 5.508 30 10 DKEE C=CCC[C@H](C)Nc1ccc(Br)c(C(F)(F)F)c1 228819163 BYOZTTDUKWCKNE-VIFPVBQESA-N 322.168 5.235 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc2sccc2s1 233124980 VKGHICQWIXQSHV-AWEZNQCLSA-N 307.528 6.140 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](N(C)[C@H](C)c2ccccc2Cl)C1 251742440 TZIFBTVBYPDXKV-ADAWSYLGSA-N 304.865 5.051 30 10 DKEE N#Cc1c(Cl)cccc1OCCCCCCCCCS 383544876 FQRXOFMPOJGSDA-UHFFFAOYSA-N 311.878 5.251 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 642882757 IMCVTNOLQOAYFA-TWGQIWQCSA-N 310.702 5.255 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)C1CCCCCC1 698893833 VZYKVUMIDCEPBS-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE CSc1c(CC#N)sc2cc(SC(F)(F)F)ccc12 725318493 MVKKLKGXMPHEDS-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE C=C(C)[C@@H]1CC=C(CN(CCC)C(=O)NC2CCCCC2)CC1 1088651742 QTRJWCSAKSOZJS-GOSISDBHSA-N 318.505 5.043 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(C)cc1-c1ccccc1 1866090182 LWUHYZIMJLARFE-UHFFFAOYSA-N 323.480 6.351 30 10 DKEE CCCCCCCC[C@@H](C)N(Cc1ccccc1)[C@H](C)C(=O)O 1902382479 CRSHTNOCNIQAME-QZTJIDSGSA-N 319.489 5.101 30 10 DKEE CCCCCCC[C@@]1(C)CC1(Br)Br 1931342069 IQJDEUBNULWISO-JTQLQIEISA-N 312.089 5.243 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)CC2CCC2)C1 1946844747 HVMLMHOJFQGCTF-STZQEDGTSA-N 324.512 5.397 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(Br)c(Cl)c2)CC1 1997250046 HTBNQXLWJIBYIJ-VIFPVBQESA-N 313.622 5.032 30 10 DKEE C=CCCCCC[C@@H](O)c1sc(CC)cc1Br 2019778040 JKKIYCIXWHKVEO-CYBMUJFWSA-N 317.292 5.243 30 10 DKEE C=C([C@@H](NCC)c1cccc(C)c1Br)C(C)(C)C 2035419284 OJTUWANRRCVEQY-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CCC[C@H](C)C[C@@H](NCC)c1cccc(Br)c1 2050516982 CZWFQOPQFWSECY-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE N#C[C@@]1(Cc2sccc2Br)CCCCC12CCC2 2053366917 MVIONEORKGGUPN-HNNXBMFYSA-N 324.287 5.307 30 10 DKEE Cc1cc(Br)ccc1C(=O)C1=CCC(C)(C)CC1 2061190212 UOKJIJTVTJNQDO-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C=CCCCC[C@H](NCCC)c1ncc(Cl)cc1Cl 2123079392 CSTFICYZPYAHGR-AWEZNQCLSA-N 301.261 5.176 30 10 DKEE CC(C)(CCC#N)CNc1cc(Cl)c(F)c(Cl)c1F 2135961054 CYSGUTUMJVOUSU-UHFFFAOYSA-N 307.171 5.013 30 10 DKEE CCCCCCCCC(=O)c1cc(Cl)c(C)cc1Cl 2136675493 IICHHXDJGQDTIY-UHFFFAOYSA-N 301.257 6.235 30 10 DKEE O=C(C1=CCCCC1)c1ccc(-c2ccc(Cl)cc2)s1 2164070130 WSTCIFAZGXDQQX-UHFFFAOYSA-N 302.826 5.752 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1csc(Cl)c1 2207429323 HXSPTWUFGVSESZ-INIZCTEOSA-N 313.938 6.359 30 10 DKEE C=CCCCCCCCNc1cc(F)cc(Br)c1 2220085903 XSPUMMFUYZOWHD-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE C=CCCCCCCCOc1c(C)cccc1Br 2220086686 FYWHRGNJTYLIDO-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE CCCCCCCCCCCCC[C@@H](NC)P(C)(C)=O 2237191317 FBUPXINWVSALFM-KRWDZBQOSA-N 303.471 5.856 30 10 DKEE CCCC1CCC(C#N)(Cc2ccc(Cl)nc2Cl)CC1 2286801864 AXXSVHRXSSKGBU-UHFFFAOYSA-N 311.256 5.431 30 10 DKEE C=C(C)CCCC[C@H](Cc1cccc(Cl)c1Cl)NCC 2287410786 LSKFWSLPFXCHEN-OAHLLOKOSA-N 314.300 5.651 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1c(F)ccc(Cl)c1F 2287413427 JKKKYARIOUHRNU-CQSZACIVSA-N 301.808 5.405 30 10 DKEE CCCCCCCCC[C@@H](OCCN)c1ccc(Cl)s1 2293256968 IMPNYFVURKTNQO-CQSZACIVSA-N 317.926 5.559 30 10 DKEE C=CCC(CC=C)Cc1c(F)ccc(Br)c1F 2301064065 ZYTCXNMHCGKPHY-UHFFFAOYSA-N 301.174 5.038 30 10 DKEE CCCCCCCCNCc1cc(F)c(Cl)cc1Cl 2349798212 KGSNZRGFBISOOK-UHFFFAOYSA-N 306.252 5.583 30 10 DKEE C#CC[C@H](C)C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366417520 IRSYSJZJWHCAHN-NHYWBVRUSA-N 316.247 5.223 30 10 DKEE N#Cc1c(Br)cccc1Nc1cccc2ccccc12 168447355 YUBHYTFVBADLOP-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 226691814 APCUYBLPUZMKNZ-TYILLQQXSA-N 306.796 5.038 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)cc2c1OCC2 228475316 AASQIOUUBJVNHY-QGZVFWFLSA-N 309.881 5.286 30 10 DKEE C=CCn1c(S[C@H](C)CC)nnc1-c1ccc2ccccc2c1 253568327 LBSKOKDRZXCVHU-CQSZACIVSA-N 323.465 5.175 30 10 DKEE CCCCCCCCN1CCC(CCN2CCCCCC2)CC1 257628076 CTQKQCYCDDJXCZ-UHFFFAOYSA-N 322.581 5.325 30 10 DKEE CCCCCCCCCC(=O)c1cscc1C(F)(F)F 312957914 MIBBWQNNNPNTNL-UHFFFAOYSA-N 306.393 6.090 30 10 DKEE CCCCCCC[C@H](NCCC)c1coc(Br)c1 394060413 CBXISTABXGJZNA-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE C=CCCSCCN[C@H](C)c1cc(F)c(Cl)cc1Cl 696059573 OPBKBXCYHRJEIS-SNVBAGLBSA-N 322.276 5.092 30 10 DKEE C[C@@H]1CCCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698890404 INBINDMNEREHNQ-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE C[C@@H](CC1CCCCC1)Nc1ccc(C#N)cc1Br 709754722 LLZFFWMTRZMTGV-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CC1(C)CCCCC[C@]1(C#N)Nc1ccc(Br)cc1 719207184 NVGQMEPICAQYGV-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE N#CCc1sc2c(SC(F)(F)F)cccc2c1Cl 725286097 DBBCJDFODHMWFI-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE Fc1ccc(NN=Cc2ccc3cc4ccccc4cc3c2)cc1 1084283357 HZQOZPQYWSGPNJ-UHFFFAOYSA-N 314.363 5.578 30 10 DKEE O=C1/C(=C/c2ccc(Cl)cc2)CSc2ccc(Cl)cc21 1614719926 RLWRLEUXXYDVTD-YRNVUSSQSA-N 321.228 5.365 30 10 DKEE CCCCCCCCOC[C@@H](NCc1ccccc1)C(C)C 1915155846 UHPFDUUHQKRMBY-HXUWFJFHSA-N 305.506 5.178 30 10 DKEE CCCCCCCC[C@]1(O)C[C@H](CC)N(Cc2ccccc2)C1 1919667576 XZQJWBNKGIKPEF-SFTDATJTSA-N 317.517 5.153 30 10 DKEE CCCCCCCC[C@@]1(N)C[C@H](CC)N(Cc2ccccc2)C1 1920208562 UVNLUPZVTUACQE-LEWJYISDSA-N 316.533 5.119 30 10 DKEE C#C[C@H](c1ccccc1)N(Cc1ccccc1)[C@H](C)C(C)(C)C 1990747542 LZHCVHQSEBUSHD-WIYYLYMNSA-N 305.465 5.298 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1scc(Cl)c1Cl 2040534779 UZBPVCFTAMRTMM-ZWNOBZJWSA-N 306.302 5.698 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(Br)co1 2049670307 SJIDVKWLTHYLNW-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl 2096545413 MELCORMZIHSOKH-GHMZBOCLSA-N 304.236 5.528 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1ccc(Cl)cc1Cl 2148596093 PJMJZNJZLNFLOH-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C[C@@H]1C[C@H](Nc2cc(C#N)ccc2Cl)c2ccsc2S1 2152748173 YEFHDIRXEMYPQI-RNCFNFMXSA-N 320.870 5.311 30 10 DKEE CCCCCCCCC[C@@]1(N)CCC[C@@H](P(C)(C)=O)C1 2160806899 RJJWDPPJRPAQHW-IAGOWNOFSA-N 301.455 5.390 30 10 DKEE CCCCCCC[C@H](NCCC)c1csc(C(F)F)n1 2188750788 NBKWZAGYBRLTPH-LBPRGKRZSA-N 304.450 5.482 30 10 DKEE CCCCCCCCCCCCN(C)[C@@H](C)CSCC 2195916536 JQCHCEMWPDCKAQ-SFHVURJKSA-N 301.584 5.981 30 10 DKEE CC(C)[C@H](CS)CSc1nc(-c2ccccc2)cs1 2225895352 AJCKGBWDWQDDSM-CYBMUJFWSA-N 309.525 5.104 30 10 DKEE SCCCCCCCCCSCCCCCC1CC1 2227199590 XVACLAPRJMWNPO-UHFFFAOYSA-N 302.593 6.351 30 10 DKEE Cc1cc(C)c(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)s1 2234289402 HKDWAINXPFNLQL-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE C=CCCCCCCC[C@@H](N)c1ccc(F)c(Cl)c1F 2235531916 FGLISIOXZMYPCI-CQSZACIVSA-N 301.808 5.535 30 10 DKEE C=CCCCCCCC[C@](C)(O)c1ccc(Cl)cc1Cl 2235532337 JKIDWMCECOZWSQ-KRWDZBQOSA-N 315.284 6.118 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2236288622 FSTZLALLIJYWSZ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)C1=CCC(F)(F)CC1 2270971602 XZWPKWBXDVXZRH-UHFFFAOYSA-N 305.151 5.230 30 10 DKEE C=C[C@@H](C)CCN[C@@H](c1cccs1)c1ccc(Cl)s1 2273034497 WEKSENZDHCQYCA-ABAIWWIYSA-N 311.903 5.354 30 10 DKEE O=C(C=Cc1ccccc1F)c1ccc(-c2ccccc2)cc1 2294300385 WMGMRYZGDXMQBS-UHFFFAOYSA-N 302.348 5.389 30 10 DKEE C=C1CCC(CC(=O)c2sc(C(F)(F)F)cc2C)CC1 2294992827 ZLYHEKHDHLKMLR-UHFFFAOYSA-N 302.361 5.395 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1sc(C)c(C)c1Br 2304021479 IFZNCPHZPFTBPL-UONOGXRCSA-N 316.308 5.120 30 10 DKEE CCC(=NOCc1cccc(Cl)c1)c1ccc(C(C)C)cc1 2330251506 XUESZKPXLJNAIK-UHFFFAOYSA-N 315.844 5.794 30 10 DKEE CC(=NOC(c1ccccc1)c1ccccc1)c1ccc(C)cc1 2330450590 ILLQFXQBUBQXHP-UHFFFAOYSA-N 315.416 5.525 30 10 DKEE CCc1c(-c2c(Cl)cc(C)cc2Cl)sc(C#N)c1N 2353133212 KQVCSRSRIHQEAY-UHFFFAOYSA-N 311.237 5.047 30 10 DKEE C=C(C)CCCC[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2353134734 XTYCHLXVVKNHEY-INIZCTEOSA-N 300.273 5.612 30 10 DKEE CC[C@](C=O)(C(C)C)[C@H](C)c1ccc(Cl)c(C)c1Cl 2353222176 KKHOQIIXFBTZNW-WBMJQRKESA-N 301.257 5.657 30 10 DKEE CCCC[C@](C=O)(CC)Cc1cc(Cl)c(OC)c(Cl)c1 2365511147 WNAHMAJMLLYNEY-MRXNPFEDSA-N 317.256 5.330 30 10 DKEE C[C@@H]1CCC[C@@](C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2366846065 KJXPUNFIOZTRPR-CXAGYDPISA-N 313.268 5.712 30 10 DKEE Cc1ccc(N[C@H](C#N)c2cc(F)c(Cl)cc2Cl)cc1 2377359701 JOQLEPMDMQOLIQ-OAHLLOKOSA-N 309.171 5.118 30 10 DKEE O=C1/C(=C/c2ccc3c4c(cccc24)CC3)Sc2ccccc21 1013763 LOEHTEPWWIVWNM-UNOMPAQXSA-N 314.409 5.268 30 10 DKEE Cc1cccc2cc(/C=C\C(=O)c3ccccc3)c(Cl)nc12 33932295 ATJXEFUUCNCHAP-KHPPLWFESA-N 307.780 5.093 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(F)cc2)C1 37154906 DDQATALTRMYZEV-JJRVBVJISA-N 305.462 5.662 30 10 DKEE C[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(OCC#N)cc1 37200342 USSSTQSUKJJRSD-NSHDSACASA-N 321.207 5.069 30 10 DKEE CCCSc1ccc(C(=O)/C=C/c2ccc(OC)cc2)cc1 83192708 QAPMBWVRXAWBSB-AWNIVKPZSA-N 312.434 5.093 30 10 DKEE CCCCCCCOc1cccc(NCC2CCCCC2)c1 100038857 UFPBCQJGFVFLDY-UHFFFAOYSA-N 303.490 6.028 30 10 DKEE CCCCCCCCCCN1Cc2ccc(C(C)=O)cc2C1 104681203 QKLHYMRKHQTDSR-UHFFFAOYSA-N 301.474 5.346 30 10 DKEE CCCCCCCCCC(=O)CSc1cccc(Cl)c1 116828992 DSNYNLNMWWUKTK-UHFFFAOYSA-N 312.906 6.142 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1 158162124 GCKQZBNTFPKGNI-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc(Cl)ccc1F 229062226 YQBXEKXRMVGPPS-GOSISDBHSA-N 313.888 6.270 30 10 DKEE Cc1cccc(NN=Cc2cccc(OCc3ccccc3)c2)c1 263631534 SQJHQNMRPMEIHV-UHFFFAOYSA-N 316.404 5.020 30 10 DKEE CCCCCCCCCCNC(=O)c1c[nH]c2ccccc12 316474369 VVLCGERNYRJWGD-UHFFFAOYSA-N 300.446 5.038 30 10 DKEE CCCCCCCCC[C@H](N)c1nscc1Br 404829209 HSXJAUQGCUQHEL-LBPRGKRZSA-N 319.312 5.046 30 10 DKEE C=CCCCCCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 405582465 AQUBOKAOQBZDEF-UHFFFAOYSA-N 317.429 5.353 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(Cl)c1Cl 709352829 DZJVNUFQLNOQNI-ZENOOKHLSA-N 312.284 5.779 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(F)ccc1C(F)(F)F 710496033 PTPUGCRQIRBEAD-ZDUSSCGKSA-N 309.734 5.028 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@H](C#N)CCC(C)C 710733475 AIJUKSCINBUHEF-INIZCTEOSA-N 316.445 5.065 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(C(F)(F)F)s1 718007663 RIWNQOYFKQZIHX-AWEZNQCLSA-N 308.409 5.725 30 10 DKEE CC[C@H]1CCC[C@](C=O)(CCc2cc(Cl)cc(Cl)c2)C1 722138051 UASJBRSFGCOODD-GUYCJALGSA-N 313.268 5.712 30 10 DKEE C(=Nc1ccccc1)c1ccc(-c2cccc3ccccc23)s1 1088751032 GWKFGTBDSHSZFK-UHFFFAOYSA-N 313.425 6.319 30 10 DKEE CCCCCCCCCCNC(=O)c1cccc(C(C)(C)C)c1 1866196703 ZMJNVRGIMCMTBY-UHFFFAOYSA-N 317.517 5.855 30 10 DKEE C=CC[C@@H](C)SCc1ccc(Cl)c(Br)c1F 1899414551 FLRPLITXWGUFCP-MRVPVSSYSA-N 323.658 5.439 30 10 DKEE C=CCOCCCCCCCCC=CCCCCCCCC 1933223738 KLLYJHRGEWEZOP-UHFFFAOYSA-N 308.550 7.227 30 10 DKEE SC[C@H](CSc1ccc(Cl)c(Cl)c1)C1CCC1 1942149811 JOKTVGQXACZUBD-SNVBAGLBSA-N 307.311 5.432 30 10 DKEE C=CCCCCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1C 1984511455 QQGFYTFYGVDIHI-UHFFFAOYSA-N 317.429 5.271 30 10 DKEE CCCCCCCCC[C@H](O)c1ccnn1Cc1ccccc1 1994382562 ODISAILXFNTVKI-FQEVSTJZSA-N 314.473 5.106 30 10 DKEE C=C(C(=O)c1ccc(Cl)c(Br)c1F)C(C)(C)C 2000203303 SJJPKCANAPXJOS-UHFFFAOYSA-N 319.601 5.027 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(Cl)c(Br)c1 2009493702 LPCRZKCEJYGOAS-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CC1(C)CC[C@H]([C@H](C#N)Sc2cccc(Br)c2)C1 2037681032 CJOMGFIEMKLIGW-FZMZJTMJSA-N 324.287 5.260 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc(Br)co1 2049668159 XHZLYYOQGHNRAA-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(Br)ccc1F 2085917384 OWLHSSTXJPMYTI-HNNXBMFYSA-N 315.226 5.148 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(Br)cc1F 2085917422 PLOSDTIWJBFREF-HNNXBMFYSA-N 315.226 5.148 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1Br)C1(C)CCCCC1 2101389738 LSMCJHTYQJIMCK-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1c(Cl)cccc1Cl)NCC 2102111640 NZNAYAHOFCAEGE-WBMJQRKESA-N 300.273 5.116 30 10 DKEE C=C(Cl)C[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2107921626 FFLYDOJGWYKYGM-ZDUSSCGKSA-N 312.265 5.472 30 10 DKEE C=CCCCCCC[C@]1(N)CCc2cc(Br)ccc21 2141912947 DFQKYTGVHBJOPK-KRWDZBQOSA-N 322.290 5.076 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H](NC)c1csc(Cl)c1 2154432314 CEZPXURZVJBKFV-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE Cc1scc(CN(C)CC2(CS)CCCCCC2)c1C 2157227862 GLZVDIAJTCSIDF-UHFFFAOYSA-N 311.560 5.067 30 10 DKEE C=CC1(C[C@@H](O)c2c(Cl)cccc2C(F)(F)F)CCC1 2168030601 IGFDTKAOYUOAFQ-GFCCVEGCSA-N 304.739 5.139 30 10 DKEE C=CCCCCCCCCCN[C@@H](C)c1ccc(Cl)s1 2207415815 URMSBDZZPRZKAI-HNNXBMFYSA-N 313.938 6.359 30 10 DKEE CCCCCCCC[C@](C)(N)C[C@@H](C)COCc1ccccc1 2212656581 WYGSVTKNBGNUNZ-CTNGQTDRSA-N 319.533 5.697 30 10 DKEE CCCCC#CC[C@H](Cc1cccc(Cl)c1Cl)NCC 2235758905 ZGLNRNNKLIRCOJ-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE C=CC1(CN[C@@H](C)c2cc(Cl)cc(Cl)c2)CCCCC1 2238005523 BQZXTUXWWWGTFL-ZDUSSCGKSA-N 312.284 5.781 30 10 DKEE N#Cc1sccc1COc1cc(Cl)c(Cl)cc1Cl 2263173385 KMYGCRRWQRTLGA-UHFFFAOYSA-N 318.612 5.159 30 10 DKEE N#Cc1ccc(Cl)cc1SCC1(C(F)(F)F)CCC1 2274534674 AFCJFTXXEQMTRB-UHFFFAOYSA-N 305.752 5.036 30 10 DKEE C=C(c1ccccc1)[C@@H](NC)c1cc(Cl)c(Cl)cc1C 2286520193 RTBPRLNJSZIRFC-QGZVFWFLSA-N 306.236 5.276 30 10 DKEE O=C(C=Cc1sccc1Oc1ccccc1)c1ccccc1 2295103385 FWHVWTBBDSNKES-UHFFFAOYSA-N 306.386 5.437 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ncc(C(F)F)s1 2295592394 QKUCWQKKOQPFTC-OAHLLOKOSA-N 305.434 5.429 30 10 DKEE C=C(Cl)CCc1cc(C(F)(F)F)ccc1C(F)(F)F 2336958574 CSTWRCFKJPOHGI-UHFFFAOYSA-N 302.645 5.409 30 10 DKEE CCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Cl)c(Cl)cc1C 2365088335 VGVRROWGFCZNJZ-LRDDRELGSA-N 310.268 5.002 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2377331438 JIZCIBUGVNWQJV-MRXNPFEDSA-N 318.263 5.920 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1cc(F)c(Cl)cc1Cl 2377430109 UBPLDPKROQFDRN-CABCVRRESA-N 318.219 5.276 30 10 DKEE O=C1/C(=C/c2ccccc2Br)CC[C@@H]1C1CCCC1 248014 AUZMOPKQJSJHMR-ATGUSINASA-N 319.242 5.002 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@H](Sc2cc(Cl)ccc2Cl)C1 37154532 GNEPHALWVMFELB-GIPNMCIBSA-N 300.254 5.414 30 10 DKEE C=CCc1cc([C@H](C)CC)cc(C=O)c1OCc1ccccc1 66117844 WDSDUACKLFDZBG-MRXNPFEDSA-N 308.421 5.320 30 10 DKEE Cc1cc(OC(C)C)ccc1C(=O)/C=C/c1sccc1C 83193025 MHKINUAJIHGKDE-BQYQJAHWSA-N 300.423 5.048 30 10 DKEE Cc1cc(Cl)c(C(=O)/C=C/c2cn(C)c3ccccc23)cc1C 83204341 HOCZWDZYTITWAF-CMDGGOBGSA-N 323.823 5.345 30 10 DKEE CCCCCCCCCNCc1cccc(Br)c1 105839621 FKBIVYFGBAUBBD-UHFFFAOYSA-N 312.295 5.289 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCCC[C@@H]1C(C)(C)C 109901114 CAEJPYLQPXVTDN-HOTGVXAUSA-N 303.515 5.982 30 10 DKEE CCCCCCC[C@@H](CNCCC)Cc1cccc(Cl)c1 110189961 PISYWEKVSBVZLX-GOSISDBHSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1ccc(Cl)s1 115856430 HPGHBFUEFQAPHS-OAHLLOKOSA-N 315.954 6.583 30 10 DKEE C=CCSc1ccccc1NC1CC(C)(C)CC(C)(C)C1 129693247 OSEAYCHABGZBDX-UHFFFAOYSA-N 303.515 5.982 30 10 DKEE CCCCCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1 130217341 ZKFTZBAPRDMKML-OAHLLOKOSA-N 303.277 5.248 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(F)c(Cl)cc1F 158027539 VESKYGVHRFNPPY-INIZCTEOSA-N 303.824 5.629 30 10 DKEE CCCCCCCC[C@H](O)c1cc(C(F)(F)F)ccc1N 158447744 MJQLKVRQIDAALP-HNNXBMFYSA-N 303.368 5.072 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccccc2F)C1 222245293 JFFDGWKPCGUGMN-VBQJREDUSA-N 305.462 5.662 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1 233544626 BPGZSIYUFBILDT-INIZCTEOSA-N 300.273 5.781 30 10 DKEE Cc1ccc(C)c(N=Cc2ccc(OCc3ccccc3)cc2)c1 254491198 OIHVECPWTXZRJC-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE CC(N=Nc1ccccc1C)=NNc1nc2ccccc2s1 254519953 SYPJWKPTFBNSGQ-UHFFFAOYSA-N 309.398 5.134 30 10 DKEE N#CC[C@H](Sc1ccc(Cl)cc1Cl)c1ccccc1 322496233 DZOIYHXPGPVOCS-AWEZNQCLSA-N 308.233 5.740 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1cc(Cl)ccc1Cl 387417699 FECBIBNQUXFKPI-INIZCTEOSA-N 316.272 5.017 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(Cl)ccc1Cl 692240830 QSDVWPRXDKUWMV-PBFPGSCMSA-N 312.284 5.779 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CC1CCCCC1 698419995 RTWABZQZMDAZAK-DNVCBOLYSA-N 322.493 5.275 30 10 DKEE CCCCCCCC[C@@H](N)c1ccsc1Br 698640272 QAQWFMSRFQSREU-GFCCVEGCSA-N 304.297 5.261 30 10 DKEE CCCCCCCOC[C@@H](NC)c1ccc(Cl)cc1Cl 709507153 RMRLQMDZMOOIOT-MRXNPFEDSA-N 318.288 5.241 30 10 DKEE CC(C)C[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 710782848 KTSFFVXISGPZTB-DOTOQJQBSA-N 316.445 5.002 30 10 DKEE CCc1cc2c(SC(F)(F)F)ccc(CC#N)c2s1 725303289 CUWRTRRPAUKSSI-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CCc1ccc2scc(SC(F)(F)F)c2c1CC#N 725303445 KTECQRLURZPQMI-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc(SC)cc1 821227649 UZVXEGOXDUMBDP-HTXNQAPBSA-N 319.857 5.393 30 10 DKEE C=CCN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1 1883746407 MPXJQBSUEJZKLU-UHFFFAOYSA-N 306.236 5.182 30 10 DKEE CCCCCCCCCC[C@](C)(N)c1csc(Cl)c1 1920172283 VEJAAPCLBTYRFG-INIZCTEOSA-N 301.927 6.106 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cc(Cl)ccc1Br 2011353164 CTYSGFHDCZCFOY-CYBMUJFWSA-N 320.633 5.017 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(Cl)c(Br)c1 2011353368 FSMGLPOAKROFCH-CYBMUJFWSA-N 320.633 5.017 30 10 DKEE C=CCC[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2045766752 LBMYIJFPMHYICK-LBPRGKRZSA-N 306.664 5.654 30 10 DKEE C=CC[C@@H](C)C[C@H](NCCC)c1ccccc1Br 2050513204 MXWQFCSLWXTCKP-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE C#CCCCC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2116870403 KFWIAKKDNPFOFF-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cccc(Br)c1 2138962728 HVKZADIVAGNIDD-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C#CCCN(Cc1cc(Cl)ccc1Cl)C1CCCCC1 2145627212 YTNLDFWWDIEBBA-UHFFFAOYSA-N 310.268 5.151 30 10 DKEE CCCCCCCCCCCC[C@H](CCSCC)NN 2182297851 IFNLWTILFMNRHM-QGZVFWFLSA-N 302.572 5.273 30 10 DKEE C=CC1(CC(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCC1 2200837134 ZGQNDQMEKLKSFW-UHFFFAOYSA-N 302.723 5.288 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234054248 QQSKPMNLTFIPKR-GFCCVEGCSA-N 312.240 5.242 30 10 DKEE Cc1cc(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)sc1C 2234055159 AGDRYKAHDOTSLR-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE CCN[C@H](CC#CC(C)(C)C)c1cc(Cl)c(Cl)cc1C 2286462531 NVDUWPPLRSZCHP-MRXNPFEDSA-N 312.284 5.392 30 10 DKEE FC(F)(F)C1CC(CSC[C@@H](CS)c2ccccc2)C1 2287312465 IOVUBEBOSUSMSQ-HRDQMINSSA-N 320.445 5.022 30 10 DKEE C[C@H](CCS)CCOCCCc1cc(Cl)cc(Cl)c1 2341125337 VMHQGGIKAZOXSS-LBPRGKRZSA-N 321.313 5.289 30 10 DKEE Cc1c(CC2(C=O)CCC3(CC2)CC3)ccc(Cl)c1Cl 2364016612 BPIHUICVOWSCFD-UHFFFAOYSA-N 311.252 5.384 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1c(Cl)cccc1C(F)(F)F 2364084890 XWWIMFOTBCOCHU-CQSZACIVSA-N 303.755 5.127 30 10 DKEE Cc1cc(C)c(C#N)c(N[C@H](C)c2ccc(Cl)cc2Cl)n1 35121565 SZANEWONESMMBP-LLVKDONJSA-N 320.223 5.050 30 10 DKEE CCOc1ccc([C@H](C#N)Cc2cc(C(C)C)ccc2OC)cc1 57761271 XDKUAJFGSSBCBP-IBGZPJMESA-N 323.436 5.067 30 10 DKEE CCCCCCCCCCCCCC(=O)Nc1ccc(F)cc1 100441711 LRCRDZAJMXSCAR-UHFFFAOYSA-N 321.480 6.465 30 10 DKEE CCCCCCC[C@H](NCCC)c1nc2c(s1)CCCC2 109690596 WFHCFNPAVGHWCQ-INIZCTEOSA-N 308.535 5.423 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C#N)c(Cl)c1 110262497 XBWXFXSNYYTALT-UHFFFAOYSA-N 320.219 6.089 30 10 DKEE Cc1cc(Br)ccc1Oc1ccc(Cl)cc1C#N 110449909 JLNXFLLIZHFAEM-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC[C@H](N)c1cc(OC)c(OC)cc1Cl 115856054 KUXFGOXMLCLAPC-HNNXBMFYSA-N 313.869 5.108 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccccc1SC 122665791 GQAMGZWNIAVWGL-QGZVFWFLSA-N 308.535 5.444 30 10 DKEE CCCCCCC[C@@H](NCC)C1CCC(C(F)(F)F)CC1 139599056 OWPLHQCBCNGRGI-UYSNPLJNSA-N 307.444 5.694 30 10 DKEE C=CC[C@H]1CC=C[C@@H](C)N1Cc1nc(-c2ccc(C)cc2)oc1C 208601982 MTFVZLPVIHLNQS-APWZRJJASA-N 322.452 5.054 30 10 DKEE Cc1ccc(Cl)c(Nc2ccc(C#N)cc2Br)c1 232245008 BNUTWMQOZXBLNU-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@@H](Cc1c(Cl)cccc1Cl)NCC 233537433 LYAVWVGIIFQOKJ-AWEZNQCLSA-N 314.300 5.651 30 10 DKEE FC(F)Oc1ccccc1C=Nc1ccccc1-c1ccccc1 254711995 VRRCPQAPHVWGKL-UHFFFAOYSA-N 323.342 5.706 30 10 DKEE C=CCCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 310941808 WKWHPLOGUDDTNW-JTQLQIEISA-N 306.664 5.654 30 10 DKEE C=CCCC[C@H](C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 398135332 XOPUZEWQIIZDCE-OALUTQOASA-N 323.480 5.661 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1N[C@H](C)CC(C)(C)C#N 709978513 CIOFFQZXXVNUSJ-QGZVFWFLSA-N 322.452 5.314 30 10 DKEE CC(C)c1ccc([C@H](C)Nc2ncc3c(c2C#N)CCCC3)cc1 1859511028 KIYYCUFDIJLTLB-HNNXBMFYSA-N 319.452 5.129 30 10 DKEE C=CCn1c(-c2c(OC)ccc3ccccc23)nc2ccccc21 1873520103 VBKGMWNABRPQEN-UHFFFAOYSA-N 314.388 5.051 30 10 DKEE CCCCCCCCC[S@](=N)(=O)c1ccc(F)c(Cl)c1 1917906617 BKZSNRCBUQEUKC-FQEVSTJZSA-N 319.873 5.635 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)CCC(C)C 1917959170 DFTTVVKJHGCAHL-FQEVSTJZSA-N 303.556 6.000 30 10 DKEE CCCCCCCC(=O)[C@@H](O)c1cc(Cl)c(Cl)s1 2037474240 CIPCSHRLYZTRBH-GFCCVEGCSA-N 309.258 5.018 30 10 DKEE C=CC[C@@H](CC)n1c(S)nc2ccc(Cl)c(Cl)c21 2041695657 VVBLVPRGOXKBJG-MRVPVSSYSA-N 301.242 5.159 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1ccc(F)cc1Br 2065479561 JJCUSCKJWRZVOA-OSMZGAPFSA-N 310.210 5.022 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1c(C)cccc1F 2070130073 DGCSKVHIDZGCOB-HXUWFJFHSA-N 324.443 5.359 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(F)c(Br)c1 2085838701 GZQMTHCAOCQYQG-OAHLLOKOSA-N 314.242 5.115 30 10 DKEE C=C([C@H](NCCC)c1cc(C)ccc1Br)C(C)(C)C 2096631976 MDYCYHMTUSAOMB-INIZCTEOSA-N 324.306 5.401 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(Cl)c(Cl)c1OC 2203428515 OMZWIXHRRYZCFY-INIZCTEOSA-N 318.288 5.536 30 10 DKEE CCCCCCCCCOCc1nc(Cl)ccc1Cl 2231023342 BXSUAJYDDUDMDD-UHFFFAOYSA-N 304.261 5.656 30 10 DKEE C=C(C)CCCCOc1cc(Cl)ccc1Br 2244628831 QCNYHLXZAIXNFP-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE C=C(C)CCCC[C@H](N)c1c(Br)sc(C)c1C 2250186055 VPHGMSZOMWYZQB-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccc(Br)cc1C 2259237358 MNHKWEZXDHAXGJ-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C#CCC[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265947258 VSQMREOCOMFVIZ-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1cc(Br)cc(C(C)C)c1 2265966282 ZVPRITPKPBHIQA-GUYCJALGSA-N 324.306 5.435 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cnc(C(C)(F)F)s1 2289250984 IIPNEIUQPXMOQD-GFCCVEGCSA-N 303.418 5.205 30 10 DKEE C=CCCCCCC[C@H](O)c1csc(C)c1Br 2303605161 PBOUOVODTAEJEB-ZDUSSCGKSA-N 317.292 5.379 30 10 DKEE C=C[C@@H](C)C[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2338895616 PMXADQXPRWWFGH-RISCZKNCSA-N 300.273 5.035 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(OC)c(Cl)s1 2340342377 YMPAJCRLKCDXDG-GFCCVEGCSA-N 301.883 5.197 30 10 DKEE OCCCCCCCC#Cc1c(Cl)cc(Cl)cc1Cl 2352986413 JHTJLJITUUZPML-UHFFFAOYSA-N 319.659 5.331 30 10 DKEE N#CC1(Cc2cc(F)c(Cl)cc2Cl)CCCCCCC1 2377279141 XTLXCYSXEUESGV-UHFFFAOYSA-N 314.231 5.929 30 10 DKEE C=C[C@@]1(C)CCC2=C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1 34173625 GTFNGUBYWRFHMR-GFOJFJKKSA-N 316.485 5.439 30 10 DKEE C=C(C)CSc1ccc(C(=O)CCC2CCCCC2)cc1 58017636 IMVBPMNTVILLEO-UHFFFAOYSA-N 302.483 5.898 30 10 DKEE N#CC1(Sc2cccc(Br)c2)CC2(CCCC2)C1 90247883 JVIDNVRZLUFMAX-UHFFFAOYSA-N 322.271 5.158 30 10 DKEE CCOc1ccc(Cl)cc1C(=O)/C=C\c1ccc(Cl)cc1 103025288 IPKGPVMRIYENBW-UITAMQMPSA-N 321.203 5.288 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2ccc(Oc3ccccc3)cc2)o1 104966114 XITUAMUWBFKGDM-YPKPFQOOSA-N 319.360 5.189 30 10 DKEE CCCCCCCCC(=O)c1cc(C)c(Br)s1 126098940 VXDBCEDXXJHBGL-UHFFFAOYSA-N 317.292 5.752 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCc2cc(Cl)ccc21 127409647 GTBZQOIJBXGVFV-INIZCTEOSA-N 315.869 5.718 30 10 DKEE CCCCCCC[C@H](NC)c1cc(C)cc(Br)c1 158055549 QVUCEAKFODLWDE-INIZCTEOSA-N 312.295 5.379 30 10 DKEE CCCCCCCCCNc1cc(C)ccc1Br 163931230 XMVXQKSFFRIHTB-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE CCCCCCCCCOc1ccc(/C=N/N(C)C)cc1Cl 169881553 XKKWHKOSCDPJHX-HMMYKYKNSA-N 324.896 5.365 30 10 DKEE Cc1ccc(Cl)c(Nc2cc(Br)ccc2C#N)c1 232244976 AQISCOLVGRNAOG-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCC[C@@H](CC)C[C@]1(C#N)CCCCN1C(=O)OC(C)(C)C 380949283 QHQHHACENUPUSR-APWZRJJASA-N 322.493 5.276 30 10 DKEE C=CCC(C)(C)CN[C@H](CC)c1cccc(Br)c1 386758032 GMEBJDCOWWOCSV-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE N#Cc1cccc([C@@H]2CCN(Cc3ccccc3)c3ccccc32)c1 616675771 PZSFPSFTSCIFDW-NRFANRHFSA-N 324.427 5.100 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C1CCCCCCC1 698381111 VWNXAWLGGXVPJR-DOTOQJQBSA-N 322.493 5.275 30 10 DKEE CCCCCCCOC[C@@H](N)c1cc(Cl)cc(Cl)c1F 708937994 XEUAHIZXROKEOQ-CQSZACIVSA-N 322.251 5.119 30 10 DKEE Cc1c(C=Nc2ccc(Cl)cc2Cl)c2ccccc2n1C 1084265564 PJGPISOYMYEDSF-UHFFFAOYSA-N 317.219 5.544 30 10 DKEE CCCCCCCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 1859454479 XAAGRNQLKBBRIE-QGZVFWFLSA-N 319.489 5.054 30 10 DKEE SCC1(CN(Cc2ccccc2)C2CCCC2)CCCCC1 1932028795 JVVSEPGMSBUMBV-UHFFFAOYSA-N 317.542 5.312 30 10 DKEE CCCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCC1 1995348929 FOWQUMLKVOAGNT-QGZVFWFLSA-N 322.493 5.419 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)s1 2040524011 ZKVGYHUZHTXZKO-MFKMUULPSA-N 306.302 5.698 30 10 DKEE CCCCC#CCC(=O)c1c(Cl)ccc(Cl)c1Cl 2083498032 NQPIBQRXBJIGHA-UHFFFAOYSA-N 303.616 5.413 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1ccc(Cl)c(Cl)c1 2108213809 PGCWYCQGJDGGPH-CABCVRRESA-N 300.229 5.137 30 10 DKEE C=CC1(C[C@H](NCCC)c2scc(Cl)c2Cl)CCC1 2111719465 DGCCCHFYLPFGNO-LBPRGKRZSA-N 318.313 5.842 30 10 DKEE CCCCCC#CC[C@@H](N)c1ccc(C)c(Br)c1C 2138980524 DSQLREHEJFXIEA-MRXNPFEDSA-N 322.290 5.040 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](SC2CCC(F)(F)CC2)C1 2144851210 ACDSHVHMDLYZQC-NFAWXSAZSA-N 301.446 5.406 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H](C)S1 2151679258 OBAWZVIQRHARIV-SQNIBIBYSA-N 300.552 5.942 30 10 DKEE CCCCCCCCC[C@@H](N)[C@@H](O)c1cc(C)c(Cl)s1 2165433934 CTFJMUJFKGUMGB-UKRRQHHQSA-N 317.926 5.211 30 10 DKEE SCC1(CN2CCC[C@H]2c2cccs2)CCCCCC1 2169971180 WTTXUKYGNAYFFB-HNNXBMFYSA-N 309.544 5.155 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccc(C(F)(F)F)c(Cl)c1 2182514103 WRAXZCLELSRUPU-ZDUSSCGKSA-N 309.734 5.273 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1cc(Cl)cc(Cl)c1 2197145973 FYWFKUFQDNRFQR-KRWDZBQOSA-N 306.236 5.357 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1cc(Cl)sc1C 2207403192 MXHABIHWUMEPBQ-MRXNPFEDSA-N 313.938 6.407 30 10 DKEE CCCCCCC[C@H](C)Nc1c(C)ccnc1Br 2219980171 DRHGILZCQUJFMQ-ZDUSSCGKSA-N 313.283 5.313 30 10 DKEE C=C[C@@](C)(CN[C@H](C)CC)Cc1cc(Cl)sc1Cl 2223555764 DXNWUEDBEDMYRF-QMTHXVAHSA-N 306.302 5.178 30 10 DKEE CCC#C[C@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2233783450 VSJYTLMVQBWPIK-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=C([C@H](Cc1cc(Cl)ccc1Cl)NCCC)C(C)(C)C 2234033776 FVCFUVRSEYJYDP-INIZCTEOSA-N 314.300 5.506 30 10 DKEE CCCC#CC[C@H](Cc1cccc(Cl)c1Cl)NCCC 2235757899 VLOYIHDWPYMSIZ-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE N#C[C@H](c1c(Cl)ccc(Cl)c1Cl)N1CCCCCC1 2339173042 VLEFYQVJSSVFCF-GFCCVEGCSA-N 317.647 5.087 30 10 DKEE CCCCCC#CC[C@@H](O)c1c(Cl)cc(F)cc1Cl 2340804982 OBNWVYBBKOUCIZ-CQSZACIVSA-N 303.204 5.140 30 10 DKEE C=C[C@@](N)(CCCc1cc(Cl)cc(Cl)c1)C(C)(C)C 2341224318 HEAFCKIYRNGOBE-MRXNPFEDSA-N 300.273 5.246 30 10 DKEE C=CCCCCCCC(=O)c1cc(F)c(Cl)cc1Cl 2349927296 HXAIOAJGCBCLTG-UHFFFAOYSA-N 303.204 5.842 30 10 DKEE CCCCCC#CCNCCCc1cc(Cl)cc(Cl)c1 2366859504 XXUTXLPYVAULBJ-UHFFFAOYSA-N 312.284 5.099 30 10 DKEE CCCCCn1c(/N=C/c2ccc(F)cc2)nc2ccccc21 2072737 FLSBBAYUAPUYIC-KGENOOAVSA-N 309.388 5.116 30 10 DKEE Cc1ccc(SC(=O)/C=C\c2sc3ccccc3c2C)cc1 12367546 KLJHZGNNUWKWBT-QXMHVHEDSA-N 324.470 5.850 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@@H](C)c1ccc(Cl)c(Cl)c1 37089242 FMDONLVSLJCHAF-JTQLQIEISA-N 323.198 5.486 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2sccc2C)c(C)c1C 83193538 JLIBLRKCFKXZNI-VQHVLOKHSA-N 314.450 5.358 30 10 DKEE COc1c(C)cc(Cl)cc1C(=O)/C=C/c1ccc(Cl)cc1 83194148 VTLPEOGWCYQSHR-VMPITWQZSA-N 321.203 5.207 30 10 DKEE CC(=O)/C=C(/C)Nc1cc2[nH]c(-c3ccccc3)cc2cc1C 102783070 KKTLMEBLGPJFPN-UVTDQMKNSA-N 304.393 5.048 30 10 DKEE CCCCCCCCCCN[C@H](C)c1ccc(Cl)s1 104015596 XFTWJXVQRBWHGE-CQSZACIVSA-N 301.927 6.193 30 10 DKEE CC[C@H](C[C@@H]1O[C@@H]1CC)c1ccc(OCc2ccccc2)cc1 107579393 VBIXRPXETXQTHK-UIFIKXQLSA-N 310.437 5.327 30 10 DKEE CCCCCCCCCCC[C@H](NC)c1ccc(Cl)cc1 115856230 CYKWJFJFTDMKEV-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(C)c(F)cc1Cl 156422307 DIEPPSWWJHXUON-KRWDZBQOSA-N 300.845 5.962 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 168240782 MIIGTJBTXKDGNZ-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCC(=O)[C@H](C#N)c1cccc(Cl)c1F 212210191 QFBIASXRMGEGFG-CQSZACIVSA-N 309.812 5.406 30 10 DKEE CC(C)C1CCC(C#N)(Cc2cccc(Cl)c2Cl)CC1 228941025 NCYVOYFSOYYRES-UHFFFAOYSA-N 310.268 5.892 30 10 DKEE CC(C)C1CCC(C=O)(Cc2ccc(Br)cc2)CC1 316845508 NGKQIRNQTYRHPW-UHFFFAOYSA-N 323.274 5.023 30 10 DKEE CC(C)C[C@H](C)[C@H](C#N)Sc1ccccc1Br 380070062 QARCTJATGCFIRV-FZMZJTMJSA-N 312.276 5.116 30 10 DKEE N#C[C@H](CNc1cc(Cl)c(Cl)c(Cl)c1)C1CCCC1 404247602 LDZYVSGDPKXGLU-SNVBAGLBSA-N 317.647 5.389 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)cc(F)c1F 690888527 YFDIDLLINAONCV-HNNXBMFYSA-N 303.824 5.629 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(Cl)cc1Cl 704005711 MUCLWCAVMULNFF-LBPRGKRZSA-N 300.273 5.636 30 10 DKEE CC(C)c1ccc([C@@H](C#N)C(=O)c2cscc2Cl)cc1 711549557 AQQASKJJOCZJPX-CYBMUJFWSA-N 303.814 5.015 30 10 DKEE C[C@@H]1CC[C@](C#N)(Cc2sc(Cl)cc2Br)C1 1903682858 KNFWVCPJSXGGMH-PRHODGIISA-N 318.667 5.036 30 10 DKEE N#C[C@H]1CCCCC[C@H]1N(Cc1ccccc1)Cc1cccs1 1915384626 GXSYQJKPXQXKBZ-UYAOXDASSA-N 324.493 5.223 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@@H](CS)C1CCC1)C(C)(C)C 1931998748 PGPIUDXBBHKMGV-LPHOPBHVSA-N 319.558 5.269 30 10 DKEE CCCCCCCC[C@@H](O)C1CCN(Cc2ccccc2)CC1 1939423607 KSISALYTQPXNOT-OAQYLSRUSA-N 317.517 5.010 30 10 DKEE C=CCC(C)(C)COCc1cccc(Br)c1Cl 2001857733 WAJUZMPSGPOULE-UHFFFAOYSA-N 317.654 5.221 30 10 DKEE CCc1cc(C(F)(F)F)c(OC(F)(F)F)cc1C(F)F 2060359446 KFTNYUHGYJKTSF-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1c(C)cc(C)cc1C 2070130579 HKATZDRVDDAQHB-SFHVURJKSA-N 320.480 5.447 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccc(C2CC2)cc1 2070132967 YPQGOJYYTAHLCR-MRXNPFEDSA-N 318.464 5.399 30 10 DKEE O=C[C@@]1(Cc2cc(Cl)sc2Cl)CCCC12CCC2 2074820463 RDOMIABBTQLBES-AWEZNQCLSA-N 303.254 5.137 30 10 DKEE Cc1ccc(C)c(-n2nc(C3CCCCC3)c(C#N)c2Cl)c1 2080274252 XJTXGNMKAUOXLH-UHFFFAOYSA-N 313.832 5.062 30 10 DKEE C=C1CC([C@H](NCC)c2cc(Cl)c(Cl)cc2Cl)C1 2081441512 SEBUDIPOFYJKJG-AWEZNQCLSA-N 304.648 5.264 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2cc(Cl)c(Cl)s2)CC1 2098752485 QYLGQEFSZYYZMF-PEUVISTOSA-N 318.269 5.198 30 10 DKEE CCCCCC#CC[C@H](NCC)c1cc(Cl)c(Cl)s1 2138993413 IVSGBYNECRHTCP-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE C=CCCCCCC[C@@H](Cc1ccc(Br)cc1)NC 2141912604 ACAYQWFWLDSQOX-KRWDZBQOSA-N 324.306 5.106 30 10 DKEE C#CCCC[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164161144 IQHYOFDHYGORTR-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE N#Cc1oc2ccccc2c1OCc1cc(Cl)sc1Cl 2195412903 LSGNVUZPPUZIER-UHFFFAOYSA-N 324.188 5.252 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cc(Cl)ccc1Cl 2196175427 YARNYEDQYYOSDU-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE N#Cc1ccc(Nc2cc(F)c(Cl)cc2Cl)c(F)c1F 2203817164 ROOJXCZSLFVBLU-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCCCCCCOc1ccncc1Br 2218651823 WRUSUFNZDHUJMU-UHFFFAOYSA-N 312.251 5.140 30 10 DKEE C=C(C(=O)c1sc(C)c(Br)c1C)c1ccccc1 2219007466 OXYLQEFRTKZSAC-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE C=CCCCCCCCC(=O)[C@@H](O)c1cc(Cl)sc1C 2235541469 IKNVSUPWHQUNQT-INIZCTEOSA-N 314.878 5.229 30 10 DKEE CCCCCCCCCCCCCCOCC=CCS 2239504570 ZDVDDAWQFPOXND-UHFFFAOYSA-N 300.552 6.190 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1ccc(F)cc1Cl 2240622820 YFNMSHNOPKYGKV-QGZVFWFLSA-N 300.845 5.523 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1cc2cscc2s1 2289866941 KPSVPLLJYRUFEU-HNNXBMFYSA-N 303.496 5.197 30 10 DKEE O[C@@H](CC#CC1CCCC1)c1ccc(-c2cccs2)s1 2289902048 WRXORPCBFUYRED-AWEZNQCLSA-N 302.464 5.094 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1cc(Cl)cs1 2290204793 DTAUZRIPNJYCJW-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE CC(C)=C(COC1CCCCCCC1)B1OC(C)(C)C(C)(C)O1 2301957849 FMZBUVHDOLUHJL-UHFFFAOYSA-N 322.298 5.084 30 10 DKEE CSc1cc(Nc2cc(Cl)cc(Cl)c2)ccc1C#N 2353831091 HIPHFYLTVFHCEZ-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1NCc1ccc(Cl)c(Cl)c1C 2364011172 QTXYIRZMHIYJOE-CZUORRHYSA-N 312.284 5.526 30 10 DKEE CCCCCC[C@H]1C=Cc2cc(-c3ccc(C#N)cc3)ccc2C1 2049171 VJUKTZIPHOKBNR-SFHVURJKSA-N 315.460 6.381 30 10 DKEE C#Cc1cccc(N[C@H](CC)c2ccc(Cl)cc2Cl)c1 35624767 VLTLRDABVVTUCK-QGZVFWFLSA-N 304.220 5.538 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(C(F)(F)F)cc1 59254802 WCJOHDPYTMDNQN-CQSZACIVSA-N 301.396 5.717 30 10 DKEE CC[C@@H](Nc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl 109947562 VYAFLXBIJOJUFO-MRXNPFEDSA-N 323.198 5.567 30 10 DKEE N#Cc1cc(Sc2cc(F)ccc2F)ccc1C(F)(F)F 164515078 FFLHGZWDAFQDBF-UHFFFAOYSA-N 315.266 5.006 30 10 DKEE CCc1ccc(/C=N\Nc2nc(-c3ccccc3)c(C)s2)cc1 169964008 JPQGFMWBQBVKGL-MOSHPQCFSA-N 321.449 5.127 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccs1)N2 226892078 KYAZTHJCMMFORA-QINHECLXSA-N 323.461 5.530 30 10 DKEE CCSc1cccc(Nc2cc(F)ccc2Cl)c1C#N 231820349 SMWZRAJHIJPQLO-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE CCCCCCCCC[C@H]1CNc2c(Cl)cc(Cl)cc21 232944803 XJMYDQQRMCAPQX-ZDUSSCGKSA-N 314.300 6.643 30 10 DKEE CCCCCCCCC[C@H](NCC)c1csc(Cl)c1 378998921 WJUBOOQYKMASJG-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1ccc(Cl)cc1Cl 395329100 XZSQPUJOGNKCPE-GFCCVEGCSA-N 300.273 5.116 30 10 DKEE C=CC(C)(C)CCN[C@@H](CC)c1cccc(Br)c1 701865696 VIRCVCCSHDGRNT-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE C=C1CCC(CN[C@H]2CCSc3ccc(Cl)cc32)CC1 724447588 XYXXPCTVOSVXCV-INIZCTEOSA-N 307.890 5.213 30 10 DKEE C=C(C)CC[C@@H](O)c1ccc(-c2ccc(Br)cc2)o1 1886386138 WSFBQOHMMDIDBF-CQSZACIVSA-N 321.214 5.099 30 10 DKEE CCCCCCCN(C)CC(=O)c1cc(Cl)sc1Cl 1887038116 GPVAGBRVQAWNFJ-UHFFFAOYSA-N 322.301 5.140 30 10 DKEE C#CC[C@H](C)C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 1887462792 BREOPUFMVHVDIB-GWCFXTLKSA-N 318.675 5.347 30 10 DKEE C=CC[C@H](C)OC[C@H](NCCC)c1c(Cl)cccc1Cl 1913348980 LKSZFEGVCWPCQG-WFASDCNBSA-N 316.272 5.015 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(C)cc(Br)c1 2059114467 JSUGHXLRKRBRAJ-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2ccccc2Br)CC1 2061195890 OCOJITBZKQZDMF-GFCCVEGCSA-N 307.231 5.014 30 10 DKEE C=C(C)CCCN[C@H](C)c1cc2cc(Br)ccc2o1 2088207349 RDUIETFMMGEBIG-GFCCVEGCSA-N 322.246 5.202 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(C)cc(Br)c1 2102111682 OCZBBNRERPEOON-YOEHRIQHSA-N 324.306 5.401 30 10 DKEE C=C1CCC(CC[C@@H](NC)c2ccccc2Br)CC1 2113419514 HVYQHQLZBUQXKR-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE C=CCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2139113993 YDDRMKCTMRGYBL-INIZCTEOSA-N 300.273 5.260 30 10 DKEE CCCCCCCCCC[C@H](O)c1c(Cl)ncn1CC 2175342743 JZUQLVMVUJLGFE-AWEZNQCLSA-N 300.874 5.121 30 10 DKEE CCCC#CC[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2203836520 ZZKSGNMNJUUJOI-OAHLLOKOSA-N 303.858 5.262 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)c(F)cc1Cl 2204283651 COVGLDJCNAWOKV-INIZCTEOSA-N 320.279 6.273 30 10 DKEE CCCCCCC[C@@](C)(N)c1c(OC)ccc(Cl)c1F 2207320757 BGKGZQHZLMWCLQ-MRXNPFEDSA-N 301.833 5.022 30 10 DKEE CC(C)C(C)(CNc1ccc(C#N)cc1Br)C(C)C 2268556331 SKBPZXARQGMTEL-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE CCCCCCCCCC[S@](=O)c1cc(F)cc(F)c1 2281333332 AAWDMJAJLOONMS-FQEVSTJZSA-N 302.430 5.213 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2340799981 WMGPERNRDRAHCM-BONVTDFDSA-N 304.236 5.385 30 10 DKEE CCCCCCCC[C@](C)(N)c1c(Cl)cc(F)cc1Cl 2360405530 GZTNTCLPLODCSB-INIZCTEOSA-N 320.279 6.057 30 10 DKEE O=C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCC(F)(F)C1 2366848583 OESKSOZXRJHXGI-CQSZACIVSA-N 321.194 5.321 30 10 DKEE CSc1c(C)c(C)c2sc(-c3ccccc3)nc2c1C#N 35067031 JTVSUHFUWBBNKJ-UHFFFAOYSA-N 310.447 5.174 30 10 DKEE CC[C@H](Nc1cccc(F)c1C#N)c1ccc(Cl)cc1Cl 36138947 CNBJARHDEBJEPQ-HNNXBMFYSA-N 323.198 5.567 30 10 DKEE CC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccc(F)c(F)c2)C1 37156536 YSLNHWKECJNPSO-BFQNTYOBSA-N 309.425 5.411 30 10 DKEE CCCCCCCCCOc1c(Cl)cc(C=O)cc1OC 59055112 WQXLTQDXIDFITJ-UHFFFAOYSA-N 312.837 5.291 30 10 DKEE CCn1c2ccccc2c2cc(/C=N/c3ccccc3O)ccc21 59456979 JMUHETMHCLDIIQ-HYARGMPZSA-N 314.388 5.271 30 10 DKEE CCCCCCCNC(C)(C)c1ccc(Br)cc1 59471903 DXUKHAPOFOTYSA-UHFFFAOYSA-N 312.295 5.244 30 10 DKEE CC(C)(C)[C@@H](CS)CSc1cccc(Br)c1 87097965 HQNVDRORWQDMNR-JTQLQIEISA-N 319.333 5.133 30 10 DKEE CC1(C)CCC(C#N)(Cc2cc(F)cc(Br)c2)CC1 94004402 YHRZQWHNHNJICP-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CC(C)Oc1ccc(Cl)cc1C(=O)/C=C/c1cccs1 96887957 PFRSQLONUXDPIV-VOTSOKGWSA-N 306.814 5.085 30 10 DKEE CCCCc1ccc(N/C=C\C(=O)c2ccc(C)c(C)c2)cc1 103030559 NLMSQVRUDBARRP-YPKPFQOOSA-N 307.437 5.455 30 10 DKEE CCC(C)(C)C1CCC(C#N)(Nc2ccccc2Cl)CC1 110029001 LGQOEPDVYGPNRX-UHFFFAOYSA-N 304.865 5.641 30 10 DKEE CCCCCCCCCCOc1ccc([C@H](C)O)cc1Cl 132779960 VKVDPJVBRFHNRG-HNNXBMFYSA-N 312.881 5.913 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(Br)c(F)c1 159137767 HFNLYHOISFFZSE-HNNXBMFYSA-N 316.258 5.339 30 10 DKEE CCCCCCCCN[C@H](C)c1c(Cl)ccc(F)c1Cl 159150015 ZLFYLVSSLXNIEW-GFCCVEGCSA-N 320.279 6.144 30 10 DKEE Cc1ccc(Nc2ccc(Br)c(Cl)c2)c(C#N)c1 235911758 ROEISTLQEVWZPY-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2ccc(Cl)cc2)C1 251727312 SFOPNFZVNSCEER-GZOSKZMVSA-N 304.865 5.051 30 10 DKEE Clc1ccc(C=NNc2nc3ccccc3s2)c(Cl)c1 254521517 YUPRYQYVCWVVLK-UHFFFAOYSA-N 322.220 5.049 30 10 DKEE C=C(C)CC[C@H](N)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 407687187 QDPZFZRBAJQHMR-AWEZNQCLSA-N 324.852 5.043 30 10 DKEE CCCCCCCCCn1c(CC#N)nc2cc(CC)ccc21 1857801840 MIMBEKAEAWWQKK-UHFFFAOYSA-N 311.473 5.415 30 10 DKEE CCCCCCCOc1cc(Cl)c(C(=O)O)c(Cl)c1 1857878649 FDLUAMKSMPVJEK-UHFFFAOYSA-N 305.201 5.041 30 10 DKEE CC[C@@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1ccc(C)cc1)C2=O 1871421483 PHGQTRZQURCXQK-MXDDHBLUSA-N 322.404 5.097 30 10 DKEE CCCCCCCC(=O)c1sc(Cl)cc1Br 1939339925 SBIGTOLLHCLLOV-UHFFFAOYSA-N 323.683 5.707 30 10 DKEE C#CC[C@H](CN(Cc1ccccc1)CC1CCCCC1)C1CC1 1991268481 URXAIXSWVOSCLK-JOCHJYFZSA-N 309.497 5.118 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccsc2Br)C1 2002989768 BYUZCYATTGIBAT-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1Cc1ccccc1C(C)C 2070136074 ARRZKGCXQIEPOR-UHFFFAOYSA-N 306.453 5.084 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cccc(Br)c1C 2102112009 PUGYSUYLXIOXCW-CXAGYDPISA-N 324.306 5.401 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cccc(Cl)c1Cl 2146979828 FRZGSXGBGMQWIE-INIZCTEOSA-N 317.256 5.347 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(C(F)(F)F)cs1 2164252180 MRIPECRGXCEHRA-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cc(Cl)sc1C 2164494552 WJHQTBGDILHFHI-OAHLLOKOSA-N 316.942 5.745 30 10 DKEE CCCCCCCCCCNCCC(F)(F)C(F)(F)F 2166640154 MVWBCMPAMFAJEK-UHFFFAOYSA-N 303.359 5.304 30 10 DKEE Cc1nc(Oc2ccc(C#N)cc2Cl)sc1C(C)(C)C 2186483581 NTJUDMLPVQJQGP-UHFFFAOYSA-N 306.818 5.066 30 10 DKEE CCCCCCCCCCCCN=[S@](C)(=O)C(C)(C)C 2195925044 ZPMAFKFMWWTAKZ-HXUWFJFHSA-N 303.556 5.804 30 10 DKEE CSc1cccc(NCc2cc3sccc3s2)c1C#N 2205530113 QXKNWXGOFYWYIH-UHFFFAOYSA-N 316.476 5.168 30 10 DKEE C=CCCCSC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2271504063 YTKNIEKNNICZDM-AWEZNQCLSA-N 322.276 5.092 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1cc(Cl)sc1Cl 2276998399 UJZRZPRDFQBUIO-GFCCVEGCSA-N 322.301 5.208 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@@H](O)CC#CC1CCCCC1 2286456547 AMMSRWIBALLVGX-KRWDZBQOSA-N 311.252 5.309 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2287414363 PQCLNRPHHCECNF-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE C=CCCCCC[C@](C)(OCCCN)c1ccc(Cl)s1 2292902331 IFVARQXNINGHFD-INIZCTEOSA-N 315.910 5.119 30 10 DKEE Cc1cc(NC=CC(=O)c2ccc(C(C)C)cc2)ccc1Cl 2296875874 JFFMXMGGYBJSSZ-UHFFFAOYSA-N 313.828 5.580 30 10 DKEE O=C(C=Cc1ccccc1)c1cc2ccccc2c2ccccc12 2297630813 OWQHHVXZBUZKCN-UHFFFAOYSA-N 308.380 5.889 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1ccc(Br)cc1Cl 2304024611 MGSCNGYALYWCBV-UONOGXRCSA-N 316.670 5.095 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1c(Cl)cccc1Br 2304086193 NAVUXVJKYCHQOS-CQSZACIVSA-N 315.638 5.278 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1NCc1c(Cl)ccc(Cl)c1Cl 2337094731 SDHMUNAVHRBROR-YGRLFVJLSA-N 318.675 5.481 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1scc(Cl)c1Cl 2339559849 MHQYNBIPVYPTGB-PWSUYJOCSA-N 316.297 5.145 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2340799983 WMGPERNRDRAHCM-ZUZCIYMTSA-N 304.236 5.385 30 10 DKEE C=C(C)C[C@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2341921229 DDMLZCRJPVYZFR-ZDUSSCGKSA-N 302.245 5.009 30 10 DKEE C=C([C@H](NCC)c1c(Cl)cc(C)cc1Cl)[Si](C)(C)C 2353053720 CORIRFNGJJCUQK-HNNXBMFYSA-N 316.348 5.386 30 10 DKEE Clc1cc(Cl)c(/N=C/c2c[nH]c3ccccc23)cc1Cl 584458 UPRIDHFNTWUOJQ-DNTJNYDQSA-N 323.610 5.879 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3o2)C1 37155636 YKRQANRUHQFEEC-DVOMOZLQSA-N 300.427 5.028 30 10 DKEE CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/C(=O)c1ccc(Cl)cc1Cl)C2 54061511 ULBSAGUHLPYFKF-TZICJZKASA-N 324.251 5.421 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccccc1OC 103183759 UMEMSQITRYEXGJ-UHFFFAOYSA-N 319.489 5.232 30 10 DKEE CCC#C[C@H](C)[C@@H](C)c1cc(C(C)(C)C)ccc1OCCC 107602259 GDZULVNDYVSIOH-DLBZAZTESA-N 300.486 5.926 30 10 DKEE Cc1oc(-c2ccco2)nc1CS[C@@H](C)c1ccc(C#N)cc1 118444294 KYERIDFCAPMLSS-ZDUSSCGKSA-N 324.405 5.109 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(Cl)cc(F)cc1Cl 123119563 MTUZUIYJGGOGEK-LLVKDONJSA-N 306.252 6.293 30 10 DKEE CC(C)c1cccc(Oc2cc(Br)ccc2C#N)c1 123457378 XDGIGSZCRMXXJO-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc2cccc(Cl)c2o1 130650817 UZCWUWZMFVHHKX-MRXNPFEDSA-N 307.865 6.097 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1cc(OC)cs1 162528478 BDEZMWMQARNCGL-KRWDZBQOSA-N 311.535 6.068 30 10 DKEE CCCCCCCCC[C@H](CCc1cccs1)NCCC 166354863 KRNLGZMKLIMFHG-GOSISDBHSA-N 309.563 6.190 30 10 DKEE CCCCCCCCC[C@H](O)c1cc2c(s1)CCSC2 168199435 VEHKPGLRZUJFMU-HNNXBMFYSA-N 312.544 5.712 30 10 DKEE CCCCCCCOc1nc(NCCC)c(Cl)cc1Cl 226624739 PDDBIIINUTYORE-UHFFFAOYSA-N 319.276 5.560 30 10 DKEE CC(C)(C)C1CCC(C=O)(CCCOCc2ccccc2)CC1 317288092 KDAUOJVIPQDWJK-UHFFFAOYSA-N 316.485 5.405 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)(Cc2ccc(Br)o2)C1 688342842 RWNFQGQJODGYNH-UHFFFAOYSA-N 324.262 5.331 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)cc(F)c1F 690986517 MVEWQSJAPCQNTJ-OAHLLOKOSA-N 303.824 5.629 30 10 DKEE CCCCCCCNc1cc(Cl)c(Br)cc1C 698069756 QTRDTVNEIZCEBB-UHFFFAOYSA-N 318.686 5.793 30 10 DKEE CCCCCCCCCC(=O)c1c(F)ccc(F)c1Cl 705470814 VHUBATQYEYJRGJ-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE CCCCCCC[C@H](NCC)c1oc(Br)cc1C 716173552 NBMDPOZKDJFGPE-ZDUSSCGKSA-N 316.283 5.362 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1cc(Cl)c(Cl)c(Cl)c1 829179587 NQISDQPXQFVQFE-MRVPVSSYSA-N 305.636 5.387 30 10 DKEE Fc1cccc(-c2ccc(C(F)(F)F)c(C(F)F)c2)c1F 1848363063 LJUDHWXSBFVDLH-UHFFFAOYSA-N 308.196 5.588 30 10 DKEE CCCCCCCCCC(=O)OCCCOCc1ccccc1 1983389679 INPIBNJUOARONR-UHFFFAOYSA-N 320.473 5.277 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1 1990797064 MMVQQQFXMXCOGA-UHFFFAOYSA-N 307.481 5.562 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccccc1C(F)(F)F 1990799513 BWTUGFMHUIMLDV-UHFFFAOYSA-N 319.370 5.284 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 2010764522 YUBWKDDNXADABN-QGZVFWFLSA-N 320.432 5.585 30 10 DKEE CCCCCCCCCCNc1cc(Cl)cnc1Cl 2137715853 GITPWXMMYIJKFK-UHFFFAOYSA-N 303.277 5.941 30 10 DKEE CCCCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1F 2139393297 KWEPQPXPPUOKAH-ZDUSSCGKSA-N 306.252 5.754 30 10 DKEE C#C[C@@H](N[C@@H](C)c1cccc(Cl)c1Cl)C1CCCCC1 2203800975 BDMDFNKOXQNBCN-BLLLJJGKSA-N 310.268 5.226 30 10 DKEE C=CCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203974137 HMRGEMLCVSGPMR-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE Fc1cc(Cl)cc(NCCCC(F)(F)C(F)(F)F)c1F 2240417524 VWAJAJJPUJMKEZ-UHFFFAOYSA-N 323.639 5.008 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc(Cl)c(Cl)s1 2276753458 NVQWQHFGNJKRMN-LBPRGKRZSA-N 324.317 5.432 30 10 DKEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1sccc1Cl 2284104020 XEJQBYLMNQPUEA-HNNXBMFYSA-N 309.906 5.438 30 10 DKEE CCCCCCCCn1c(C=Cc2ccco2)nc2ccccc21 2314898879 DQTKELJZEQHOST-UHFFFAOYSA-N 322.452 6.160 30 10 DKEE C=CCC(CC=C)Oc1ccc2cc(Br)ccc2c1 2338728092 QSXHCFAJAHFDMF-UHFFFAOYSA-N 317.226 5.502 30 10 DKEE C=C1CC(C[C@H](NCC)c2c(Cl)cc(F)cc2Cl)C1 2340798023 JCPBZRMTRCYQHV-AWEZNQCLSA-N 302.220 5.139 30 10 DKEE C=C1C[C@@H]1[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2341885803 QSJLHGWSQMNFTI-DLBZAZTESA-N 322.290 5.189 30 10 DKEE C=CCCCC[C@H](OCCN)c1ccc(Cl)c(Cl)c1C 2365971319 RZNKOUHSHCNZLU-HNNXBMFYSA-N 316.272 5.065 30 10 DKEE C=CCC(CC=C)[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2366805001 ATJDMQPPBRMUGO-KRWDZBQOSA-N 312.284 5.282 30 10 DKEE C=CCCCCCC[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2366806259 RJANELPXLYXCQE-QGZVFWFLSA-N 314.300 5.780 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(C)s1)[C@H]1CC=C[C@H]21 14456732 AZXFEKFCTPYYHC-IIMJZQEZSA-N 323.461 5.448 30 10 DKEE CCCCCCCCCCCC[C@H](CCC)c1ccccc1 60263035 MSKJVRDVAADPNK-NRFANRHFSA-N 302.546 7.881 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2cc(Cl)ccc2Cl)cc1C 61681859 RFSRKDMCEMHQAP-OAHLLOKOSA-N 318.203 5.100 30 10 DKEE CCCCCCCCC(=O)Cc1c(Cl)cccc1Cl 109709989 LXIUBFURLGPTSU-UHFFFAOYSA-N 301.257 5.856 30 10 DKEE C[C@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)cc1Cl 110258551 GGADNVZJRLPAQT-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2cccc(F)c2Cl)CC1 123382054 HXQHEMAJSZGRDW-UHFFFAOYSA-N 307.840 5.768 30 10 DKEE CCCCCCCCC[C@H](NN)c1cccc(Cl)c1F 126536433 JEGTUOWYPRLGBQ-HNNXBMFYSA-N 300.849 5.124 30 10 DKEE CC(=O)c1ccc(C#N)cc1Sc1ccc(Cl)c(Cl)c1 131399111 BSPSGNBXVXYXDD-UHFFFAOYSA-N 322.216 5.219 30 10 DKEE C[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(C#N)s1 134678988 MAJIQYIXBXTQDX-PIGZYNQJSA-N 316.857 5.075 30 10 DKEE CCCCCCC[C@H](NC)c1cccc(F)c1Br 158026653 HUCWTRNANFPJGO-AWEZNQCLSA-N 316.258 5.209 30 10 DKEE CCCCCCCNc1ccccc1NC(=O)OC(C)(C)C 227593124 XJUINKOOUNUSCG-UHFFFAOYSA-N 306.450 5.416 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Br)cc(C(F)(F)F)c1 228826195 XTQHJHZQJRGXIY-SECBINFHSA-N 322.168 5.235 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(C)c(Br)s1 229753359 KFWMUHLWARVHBZ-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE Cc1sc(NN=C/C=C/c2ccccc2)nc1-c1ccccc1 252460557 GGZSZJTUSVPRCE-IVZSBRTFSA-N 319.433 5.230 30 10 DKEE O=C(/C=C\Nc1ccc(N=Nc2ccccc2)cc1)C(F)(F)F 254764864 PWSSUNFQLORDDQ-UQKXYVMDSA-N 319.286 5.159 30 10 DKEE C[C@@H]1CC=C(C(=O)c2c(Cl)cccc2Br)CC1 304270717 KNNFNCQJAZSPGF-SECBINFHSA-N 313.622 5.032 30 10 DKEE N#Cc1sc(Sc2ccc(Cl)cc2Cl)nc1Cl 322711046 VEOKPOIGBUYCPE-UHFFFAOYSA-N 321.641 5.126 30 10 DKEE C=CCCCCC[C@H](N)c1ccccc1NC(=O)OC(C)(C)C 406211567 ITTKOLWCBLPSBE-INIZCTEOSA-N 318.461 5.170 30 10 DKEE CC/C(=N\OCc1ccc(C)cc1)c1ccc2c(c1)CCCC2 821218053 KXQPAEMYOWFSNQ-QURGRASLSA-N 307.437 5.205 30 10 DKEE CCOc1ccc(/C(CC)=N/OCc2cccc(Cl)c2)cc1 821219869 CMRHUGUJFDWIAN-CZIZESTLSA-N 317.816 5.070 30 10 DKEE Cc1ccccc1CO/N=C(/c1ccc(OC(C)C)cc1)C1CC1 821228101 CUPDTQISBPXSPN-QURGRASLSA-N 323.436 5.113 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(Cl)c(F)c1F 1923352686 WALXDRRNECWYEN-CQSZACIVSA-N 303.824 5.759 30 10 DKEE C=C(C)CCCN[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1935961552 OUSIATZUODJAHW-HNNXBMFYSA-N 318.461 5.041 30 10 DKEE Cc1cc(N(Cc2ccccc2)CC2CCCCC2)ccc1C#N 1946760390 OGRNHZODNKAMBB-UHFFFAOYSA-N 318.464 5.454 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@H]1CC12CCC(F)(F)CC2 1979100795 FXRGHENSQFEAHM-GOSISDBHSA-N 319.439 5.280 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)C1(C#N)CCC(CC)(CC)CC1 1981061818 ZULUKDALCAOQQC-UHFFFAOYSA-N 320.477 5.052 30 10 DKEE C=C(F)C[C@H](NCCC)c1c(C)sc(C)c1Br 2011351071 HZHJKAQAIQUPAN-NSHDSACASA-N 320.271 5.041 30 10 DKEE CC#CCCCC[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 2019543767 HEJDKOKXFPJFDM-JOCHJYFZSA-N 321.464 5.023 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccccc1Br 2040530531 RHRSLBZWOXYTSP-BBRMVZONSA-N 310.279 5.092 30 10 DKEE CC1(C)OB([C@@H]2C[C@@H]2c2ccccc2-c2ccccc2)OC1(C)C 2058991354 JFEGLKNIUDMZGM-RTBURBONSA-N 320.241 5.303 30 10 DKEE CC1(C)CC[C@H]([C@@H](C#N)c2ccc(F)cc2Br)C1 2065479565 JJEJIMROYRMWHO-GXFFZTMASA-N 310.210 5.022 30 10 DKEE C=CCCCCCC[C@H](N)Cc1ccc(Cl)c(Cl)c1 2141914683 UELGMHMAPIJJDE-AWEZNQCLSA-N 300.273 5.390 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(Cl)sc1Cl 2142449644 BYSHZEGEKSIYOW-ZDUSSCGKSA-N 321.313 6.395 30 10 DKEE CCCCCCCCCCCCS[C@@H](C)[C@@H](C)C(=O)O 2145195677 YKCSGXHNGYGGRC-CVEARBPZSA-N 302.524 5.750 30 10 DKEE C=CCCCCCCC[C@H](NC)c1scc(Cl)c1Cl 2227289527 VPGHXNKWDVLOSK-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1cccc(Cl)c1Cl 2231540508 YRDBXYPTXADOMU-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE CCCCCCCOc1nc(Cl)c(CN[C@H](C)CC)s1 2240006279 IWQIIWJYHVEUGG-GFCCVEGCSA-N 318.914 5.034 30 10 DKEE CC(C)(C)[C@@H](CS)CSCC1(C(F)(F)F)CCC1 2261542826 HKKOVUCTHZIEBE-JTQLQIEISA-N 300.455 5.044 30 10 DKEE CSCC1(C[C@@]2(C#N)CCCCC2(C)C)CC(F)(F)C1 2289669426 FZNQAFMXJPEDGC-OAHLLOKOSA-N 301.446 5.265 30 10 DKEE CCCCCCCCC[C@](C)(O)C(=O)c1sccc1Cl 2295595950 FZJLXMAGQQJOQJ-INIZCTEOSA-N 316.894 5.476 30 10 DKEE CCCCCCCCCCn1cc(Br)cc1C=O 2314921495 KJBNQRYIAJFGAE-UHFFFAOYSA-N 314.267 5.204 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C)c(Br)c1 2337115261 ZASKFKZVUNYDHT-CPUCHLNUSA-N 322.290 5.153 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349867257 HUSPPGWLWSTPEH-OAHLLOKOSA-N 304.236 5.530 30 10 DKEE CC[C@@H]1CC[C@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2349886956 PDTHFXJTULCSCF-MEBBXXQBSA-N 303.204 5.070 30 10 DKEE Cc1ccc(-c2c(C)sc3nc(C(C)(C)C)c(CC#N)n23)cc1 36256451 OQWQVHYYEROQMT-UHFFFAOYSA-N 323.465 5.043 30 10 DKEE Cc1cc2c(C#N)c(Cl)n(Cc3ccccc3C)c2cc1C 71465772 AUGKSKOROUUZEO-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CC1(C)CCC[C@@](C#N)(Nc2cccc(Br)c2)CC1 86914185 DZOHECJGXPKYJM-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CCCC1(CCC)CC(C#N)(Sc2ccc(Cl)cc2)C1 90244341 KVQOAYOWMSKIFN-UHFFFAOYSA-N 307.890 6.075 30 10 DKEE C=C(C)C#C[C@](C)(O)[C@@H](C)CSCCCCCCCCC 95786114 VYZBRGJPPSIOLK-OALUTQOASA-N 310.547 5.437 30 10 DKEE CCCCCCCCn1c(CC(C)(C)C)nc2ccccc21 101263529 FBBFPTTYIDWYPJ-UHFFFAOYSA-N 300.490 5.985 30 10 DKEE CCCCCCCNC(=O)/C(=C/c1ccccc1)c1ccccc1 108381047 GJEIVBIQINEMNN-DYTRJAOYSA-N 321.464 5.314 30 10 DKEE CCCCCC[C@](C)(C#N)Nc1cccc(Br)c1 110028818 HMBCECPNXMKSSL-OAHLLOKOSA-N 309.251 5.114 30 10 DKEE Cc1ccc(C#N)c(Nc2cc(C(F)(F)F)ccc2Cl)c1 110252551 WUEILQJRAWKFAH-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE Cc1cc(Oc2cc(Br)cc(C#N)c2)ccc1Cl 227634286 FLSQJPSUVFUBJK-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(Br)c(Cl)c1 236537539 BOMWLAFPXKVKFZ-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3ccc(C)cc3)ccc21 254738078 FVMIBELHEAWJMU-UHFFFAOYSA-N 312.416 5.873 30 10 DKEE Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)C2=CCCCC2)c1 405857314 BFKUHQODAARLIH-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE CC(C)(C)C#CCn1ccc2c(OCc3ccccc3)cccc21 720928137 HRZPWHSRRRYJPF-UHFFFAOYSA-N 317.432 5.270 30 10 DKEE C=C(C)[C@H]1CC=C(CN(CCC)C(=O)NC2CCCCC2)CC1 1088651743 QTRJWCSAKSOZJS-SFHVURJKSA-N 318.505 5.043 30 10 DKEE C=C[C@H](N[C@H](C)c1cc(Cl)cc(Cl)c1F)C1CCC1 1892962341 IJJGSUZBRUXFKP-OTYXRUKQSA-N 302.220 5.138 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(Br)cs1 1920164851 WJMSKINKJRHJRT-AWEZNQCLSA-N 318.324 5.435 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(OCc2ccccc2)cc1 2026064789 RNSUTWACBQPSIH-JOCHJYFZSA-N 324.464 5.826 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(C)c(Cl)s1 2108234905 SIYHGDRFMQLTCZ-AWEZNQCLSA-N 302.911 6.274 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCCC12CC2 2117000583 JLBGDBZFMZMFNL-DYVFJYSZSA-N 318.258 5.417 30 10 DKEE CCCCCCCCCCCC[C@H](N)c1ncc(Cl)s1 2154628133 COANFGLGNDPIMZ-AWEZNQCLSA-N 316.942 6.107 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@](C)(O)c2csc(Cl)c2)CC1 2157110281 DYYVXZSCUCKNCP-JKSUJKDBSA-N 311.878 5.109 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@](C)(O)c2ccc(Cl)s2)CC1 2157114725 XQCILZGUZGUZOP-JKSUJKDBSA-N 311.878 5.109 30 10 DKEE CCCCCCCCCN[C@H]1CCC[C@H](P(C)(C)=O)C1 2160843668 MHMOCISPFULCEN-IRXDYDNUSA-N 301.455 5.261 30 10 DKEE C[C@H](N(C)CCCCCCCCCS)[C@]1(C)CC1(F)F 2172726008 SZGVSKUTMLIDCE-GJZGRUSLSA-N 307.494 5.013 30 10 DKEE CCCCCCCCC(=O)c1c(Cl)ccc(Cl)c1OC 2204337244 UEWDWDVRLQMWRE-UHFFFAOYSA-N 317.256 5.935 30 10 DKEE Cc1csc(CN(C)CC2(CS)CCCCCC2)c1C 2234219348 HTGZRJOILRMHCR-UHFFFAOYSA-N 311.560 5.067 30 10 DKEE Cc1cc(C)c(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)s1 2234289096 BRXHJFIEBVLDDH-SNVBAGLBSA-N 324.232 5.162 30 10 DKEE CCN[C@H](C#Cc1cccc(Cl)c1)c1cc(C)c(Cl)s1 2239562406 NCBNFWYVLXHHPP-CQSZACIVSA-N 324.276 5.066 30 10 DKEE C=CCCCSC[C@H](NCC)c1ccc(Cl)c(Cl)c1 2271492562 BNFOVXWOBGTQGJ-HNNXBMFYSA-N 318.313 5.343 30 10 DKEE C=CCCCSC[C@@H](NCC)c1cc(Cl)ccc1Cl 2271495672 PBPCXQDGHUUPST-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1C(=O)O 2287068265 KOOGXAKFMCLOSN-UHFFFAOYSA-N 312.862 5.657 30 10 DKEE N[C@H](C#CC1CCCCC1)c1ccc(-c2cccs2)s1 2289719460 MMKKOWXCIIKJSK-CQSZACIVSA-N 301.480 5.060 30 10 DKEE FC1(F)C[C@@]1(CS)CSc1ccc(Cl)cc1Cl 2306942633 GHYHWNLJKOCLJU-SNVBAGLBSA-N 315.237 5.041 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCCC)c1ccc(Br)cc1 2344338186 XHXIMCFPPYXOHA-SJORKVTESA-N 324.306 5.482 30 10 DKEE CO[C@H](CSCC1(CS)CC(C)(C)C1)C1CCCCC1 2371134333 UPDQOPYPVVGQGS-OAHLLOKOSA-N 316.576 5.051 30 10 DKEE N#Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)cc1 11834274 KUVCKTABXNZMFI-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE Cc1cc2c(o1)CC(C)(C)C/C2=N\OCc1ccc(Cl)cc1 12954226 HXYNTQJTUQMHCN-CAPFRKAQSA-N 317.816 5.135 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2)o1)c1ccc(Cl)cc1 33921922 OFSGICQBUNCWRD-BENRWUELSA-N 308.764 5.496 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)c(C)c1 83193637 INLUCVMUYDYPKG-ZHACJKMWSA-N 308.421 5.297 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@@](C#N)(Nc2ccccc2Cl)CC1 86959669 RRZYCZRFDICIOT-RDTXWAMCSA-N 304.865 5.641 30 10 DKEE CCC(CC)(CS)CSc1ccccc1Br 87096742 JFHAFHBDBKQCNF-UHFFFAOYSA-N 319.333 5.277 30 10 DKEE CC1CCC(C#N)(Sc2cccc(Br)c2)CC1 90247900 LFDPZOKULQQCFQ-UHFFFAOYSA-N 310.260 5.014 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 109770743 FIMFLRRVQJSRSV-LBPRGKRZSA-N 321.814 6.520 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)Cc1ccccc1 143760831 SJTUNCQJMNXFLA-UHFFFAOYSA-N 323.524 6.439 30 10 DKEE CSc1ccc(Oc2ccc(C(F)(F)F)c(C#N)c2)cc1 164504823 OAUYFRSABDJWBQ-UHFFFAOYSA-N 309.312 5.091 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2cccc(Cl)c2F)CC1 167058048 RXXOUXUHQNOCEY-PTXATLKXSA-N 309.812 5.013 30 10 DKEE CCc1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cc1 212577865 PYUJTXVVABIJDV-YFHOEESVSA-N 305.204 5.452 30 10 DKEE CCCCCC(C)(C)CNc1ccc(C#N)cc1Br 213254255 CSKQCNRTKFFQKL-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE C=C(CC(Cl)(Cl)Cl)c1ccc(C(F)(F)F)cc1 221619336 FYXBQAFXUUYALB-UHFFFAOYSA-N 303.538 5.479 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(Br)ccc1Cl 236549402 BZYWFISEEQDNAQ-CQSZACIVSA-N 317.654 5.272 30 10 DKEE C=CCCCCCC/C=C/C=C/[C@@H](C)NC(=O)OC(C)(C)C 238428884 UXKALWRJRKKTTH-RRLAHFNLSA-N 307.478 5.539 30 10 DKEE Fc1ccc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F 514255363 YAUCLDUCMBIAHO-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CC(C)C1CCC(C=O)(C[C@H](C)COCc2ccccc2)CC1 719590756 FFCQRSWLWRUCNO-PELRDEGISA-N 316.485 5.261 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc(Cl)sc2Cl)CC1 724596019 FLXMWUJANHGALI-GFCCVEGCSA-N 304.286 5.452 30 10 DKEE N#Cc1c(-c2ccccc2)ccnc1Nc1ccccc1Cl 1859856231 PLCMBDKXRGUXGD-UHFFFAOYSA-N 305.768 5.017 30 10 DKEE CCCCOc1cc(C)c2c(c1)O/C(=C\c1ccccc1C)C2=O 1871399084 ACJOGCZOQULGJL-UNOMPAQXSA-N 322.404 5.099 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ccc(F)cc1Cl 1919926128 YCZBATQVTPXWKU-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE CCC[C@H]1CC[C@H](C2CCC(c3ccc(C#N)cc3)CC2)CC1 1933316517 WQJVIFBSXSFHDA-LXKFRJFUSA-N 309.497 6.439 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 1947381026 IMLHDOQKWYJDAM-RTBURBONSA-N 323.480 5.661 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)C1CCC(C)(C)CC1 1975997096 HQCYDXUURSDGHN-LJQANCHMSA-N 322.493 5.131 30 10 DKEE CC1(C)OB(C=C2CCC3(CCCCCC3)CC2)OC1(C)C 1986912315 VJYMYNOYMAOQEZ-UHFFFAOYSA-N 304.283 5.459 30 10 DKEE C=CCC[C@H](C)[C@H](N)c1cc(Cl)c(C)cc1Br 1996474458 PINAENPXLDZYQI-XPTSAGLGSA-N 316.670 5.013 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(CNCC(C)C)cc1 2013174504 TWGCBPATKJQKHJ-UHFFFAOYSA-N 322.496 5.015 30 10 DKEE C=CCC[C@H](C)Nc1cccc(C(F)(F)F)c1Br 2057644000 ZWUNHLITBJCCRS-VIFPVBQESA-N 322.168 5.235 30 10 DKEE CCCCC[C@@H](CC)Nc1cc(Br)cc(C#N)c1 2073284822 HCOXKYYDNRLISV-CQSZACIVSA-N 309.251 5.092 30 10 DKEE CCCCCC#CC[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2139003120 RRGOYWNMYUVIAU-CYBMUJFWSA-N 318.675 5.620 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1nc(Cl)cs1 2142430789 HMTWNLLYIIHDSG-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(C(F)(F)F)c(Cl)c1 2146765775 PLFFGTXROUCVJE-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CC#CCCCC[C@H](NC)c1ccc(-c2cccs2)s1 2205878128 ZXTQFILDQGBDQI-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE CCC#C[C@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2233781719 JATMYXUARFMXFR-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)C1CC(C)C1 2238202414 PVDOIAIOKVKSSX-LBXVMSDZSA-N 301.540 5.753 30 10 DKEE C=C([C@@H](O)c1cc(Br)cc(C(C)C)c1)C(C)(C)C 2254768563 OKNJWQPFZNXFFS-OAHLLOKOSA-N 311.263 5.208 30 10 DKEE Cc1cc(Cl)c(Cl)cc1Nc1ccc(C#N)c(Cl)c1 2266779214 UZOFDLPTBLAKJX-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C=CCCCCCCCSc1ccc([C@@H](C)O)cc1Cl 2287189577 ONCYUUJRHZNMBH-CQSZACIVSA-N 312.906 6.012 30 10 DKEE CCCCCCCC[C@](C)(N)c1csc(C(C)(F)F)n1 2289453586 WZPKWVPWZUOHOL-AWEZNQCLSA-N 304.450 5.179 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cc(C)c(Br)cc1C 2321224381 KGDUGUZMURWKFF-HOTGVXAUSA-N 311.263 5.092 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1c(Cl)cc(F)cc1Cl 2370483411 TYKOCGFVANTHSL-HOTGVXAUSA-N 318.263 5.776 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2370526943 YPINQNNJJDRTNX-SJORKVTESA-N 314.300 5.945 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(F)c(Cl)cc1Cl 2377426893 KXQQLWSKXKJXJN-INIZCTEOSA-N 319.247 6.083 30 10 DKEE N#C[C@@H](CCCc1ccccc1)c1c(Cl)cccc1Cl 57685522 WLUVIKSVJOWRTJ-CQSZACIVSA-N 304.220 5.623 30 10 DKEE CCCCCCCCCn1c(-c2cccnc2)nc2ccccc21 101263292 TXDACWCKKIFNLB-UHFFFAOYSA-N 321.468 5.849 30 10 DKEE Cc1ccc(C(=O)/C=C/Nc2ccc(C(F)(F)F)cc2)c(C)c1 110193043 JZQQDMYFLGTZCJ-MDZDMXLPSA-N 319.326 5.131 30 10 DKEE CCCCCCCCCCC/C=C/CC[C@H]1N=C1C(=O)OC 111482712 KUYGCVCTWOZKGR-TUQDCPSNSA-N 307.478 5.240 30 10 DKEE CCCCc1ccc(OCC2(CS)CCCCCC2)cc1 126533648 YOKQCBZBTRHAEC-UHFFFAOYSA-N 306.515 5.678 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Br)c(F)c1 158046490 HSEVFLCVMNXOEG-HNNXBMFYSA-N 316.258 5.209 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(Cl)cc1Cl 159159888 BWQUDHZFDGXTQO-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccc(C)c(Cl)c1 162357338 FSBYAZUVSBUMPU-LJQANCHMSA-N 309.925 6.440 30 10 DKEE CCCCCCCC[C@H]1CCC(C)(C)[C@@]1(S)c1ccccc1 205463124 FORANBFRCHPDFY-PZJWPPBQSA-N 318.570 6.999 30 10 DKEE CCCCCCCn1c(/C=C\c2ccco2)nc2ccccc21 205756559 SDFQAFJMGKPRNG-YPKPFQOOSA-N 308.425 5.770 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(F)c(F)cc1Cl 231301385 IBOXPEFHHRFZBI-INIZCTEOSA-N 304.808 5.792 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(Cl)sc1Cl 232925339 QXUVZSQSLZSEDX-LBPRGKRZSA-N 323.333 5.700 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 310239814 CTXFTKUVDGNSNS-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE CCCCCCCCCC[C@H](CCCC)Oc1cccc(O)c1 725412171 NTIHZLXLIGUZKO-FQEVSTJZSA-N 320.517 6.861 30 10 DKEE Clc1ccccc1/C=C/C=NNc1nc2ccccc2s1 1083879192 URJFFDOXXDZWRF-XSACCCDWSA-N 313.813 5.061 30 10 DKEE CCCCCCC[C@](C)(O)Cc1cccc(Cl)c1Cl 1919913671 QEIJXIKFEAOMEU-INIZCTEOSA-N 303.273 5.647 30 10 DKEE CC(C)(C)N(Cc1ccccc1)c1cc(Cl)c(C#N)cc1F 1974827728 ZNYMETFWZMDYHF-UHFFFAOYSA-N 316.807 5.156 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1ccc(OCc2ccccc2)cc1 1975926395 LEARDYGUEXHFMM-UTKZUKDTSA-N 309.453 5.128 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccccc1OCc1ccccc1 1996468388 CKONBJYIBGORJF-AVRDEDQJSA-N 323.480 5.519 30 10 DKEE Cc1ccc([C@H](C)n2nc(C3CCCCC3)cc2C#N)cc1C 2070091955 PCTVHWOTNWHBCR-INIZCTEOSA-N 307.441 5.029 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Br)cc1C 2102110024 CUIKILXAEQMOAQ-CXAGYDPISA-N 324.306 5.401 30 10 DKEE N#C[C@@]1(Cc2c(Cl)cccc2Cl)CCCC(F)(F)C1 2128421890 DSJQTWMPQGGYEB-CYBMUJFWSA-N 304.167 5.255 30 10 DKEE SCC1(COc2cccc3ccsc23)CCCCCC1 2144688100 WAIGMKBZDRDQFZ-UHFFFAOYSA-N 306.496 5.551 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1cc(Cl)cs1 2154630839 RLTIHMBDAKDHGA-MRXNPFEDSA-N 315.954 6.712 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc2sc(C)cc2s1 2156562149 DZYOKJYSFYBDAL-CQSZACIVSA-N 309.544 6.412 30 10 DKEE C[C@@H]1C[C@](C#N)(C[C@@H]2CCCC[C@H]2C(F)(F)F)CCS1 2159721871 WMMSSQOIQRHREF-RQJABVFESA-N 305.409 5.171 30 10 DKEE CCCN[C@H](CCC#C[Si](C)(C)C)c1ccc(Cl)cc1 2187476792 PMDYBRQWTOAIJN-QGZVFWFLSA-N 307.941 5.042 30 10 DKEE CCCCCCCCCC[C@@]1(N)CS[C@@H](C(F)(F)F)C1 2189226745 UCTPJYVZYVRTND-KGLIPLIRSA-N 311.457 5.283 30 10 DKEE CCCCCCCCN(C)CCc1cc(Cl)cc(Cl)c1 2196690560 JNMNRGWAAXLEDB-UHFFFAOYSA-N 316.316 5.828 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1ccc(Cl)cc1Cl)C1CC1 2196860009 XIBHPYADMMUSFN-CXAGYDPISA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)[C@H]1CSCCS1 2207428878 CPHDYVHHFNQAPS-IAGOWNOFSA-N 315.592 5.120 30 10 DKEE C=CCCCCCCCCC[C@@H](N)c1cc(C)c(Cl)s1 2207441117 GBYSJLTYBJEIOZ-OAHLLOKOSA-N 313.938 6.407 30 10 DKEE C=CCCCCCCCNc1ccc(F)cc1Br 2220092986 OSUPTWDDXPRXKV-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE N#C[C@H](C(=O)CC1CCCCC1)c1cccc(Cl)c1Cl 2235757419 LLTMWSKEDXLLKF-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE C#C[C@@H](N[C@H](C)c1cc(Cl)cc(Cl)c1)C1CCCCC1 2238003198 HRAKWVOECGRESP-SJKOYZFVSA-N 310.268 5.226 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)CCC(F)(F)CC 2283696970 QUUNGDIMWGXAEM-HXUWFJFHSA-N 311.482 5.609 30 10 DKEE C=CCCCCCCCSc1nc(Cl)nc2cc[nH]c12 2287064997 IBGZEHZWUUHWSW-UHFFFAOYSA-N 309.866 5.230 30 10 DKEE C=CC[C@H](C)Oc1c(Cl)cc(CNC(C)(C)C)cc1Cl 2296262070 QVALYZVMGMQUMP-NSHDSACASA-N 316.272 5.225 30 10 DKEE O=C(C=Cc1ccccc1)C=Cc1ccc(-c2ccccc2)s1 2297452639 RBQUVPCPWWHCTJ-UHFFFAOYSA-N 316.425 5.711 30 10 DKEE C=CCC(CC=C)SCc1cc(Cl)cc(C(C)=O)c1O 2360372875 BAHIKSCKOPRIRT-UHFFFAOYSA-N 310.846 5.002 30 10 DKEE C=CC[C@H]1CCC[C@H]1n1c(S)nc2ccc(F)c(Cl)c21 2362199229 APGYKECSOTYAJQ-JOYOIKCWSA-N 310.825 5.035 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2377277124 BKYOHTGLNUBOCY-ZBEGNZNMSA-N 314.231 5.785 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Sc1ccccc1Br 37156624 NOZMOLWZPSXNMX-YPMHNXCESA-N 310.260 5.014 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](n2nc(C)c(Cl)c2C)C1 50586666 IXDMBLSGRSIYCV-RRFJBIMHSA-N 307.869 5.071 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1c(Cl)cc(Cl)cc1Cl 103998995 QYSQUCVPUYYKHN-NOZJJQNGSA-N 317.647 5.531 30 10 DKEE COc1ccc(/C=N\[C@@H](c2ccc(C)cc2)c2cccs2)cc1 105255409 KYDQUONPKBCENH-RUAJRXAUSA-N 321.445 5.274 30 10 DKEE CCCCCCCCCNCc1ccccc1Br 105839666 IEJXUSRZXFHEHN-UHFFFAOYSA-N 312.295 5.289 30 10 DKEE CCCCCCCCCCCC/N=C(/C)c1ccccc1O 107106768 SXFYMBFEIKOKLL-UZYVYHOESA-N 303.490 6.122 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1cccc(Cl)c1 109720707 ISJKPKUNJMCTOE-IBGZPJMESA-N 309.925 6.521 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)ccc1OCCC 109908555 ILZDBYSSFIUPMA-HNNXBMFYSA-N 311.897 6.290 30 10 DKEE C[C@H](CC(=O)[C@H](C#N)c1c(Cl)cccc1Cl)C(C)(C)C 111650366 JEFWMPUKLIOLAP-MNOVXSKESA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@H](CSc1ccccc1Cl)NCC 117520865 IWTKGLGWMUYAES-OAHLLOKOSA-N 313.938 5.771 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(F)c(C(F)(F)F)c1 125807159 JXSQWDDPPFUDTI-OAHLLOKOSA-N 303.343 5.242 30 10 DKEE CCCCCCCCCCNc1cc(Cl)c(C)cc1Cl 128200066 NOINXEWJPMEZSO-UHFFFAOYSA-N 316.316 6.854 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(Cl)cc(Cl)c1 159107419 IOIGVOOPWIRZBB-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H]1SCCS[C@H]1CC 162345649 FHDXAZWSEQWREM-YESZJQIVSA-N 317.608 5.472 30 10 DKEE CCCCCc1ccc(SC(=O)c2ccc(C#N)cc2)cc1 205734299 NSACAIGEIFWQCP-UHFFFAOYSA-N 309.434 5.223 30 10 DKEE CCSc1cccc(SCc2ccccc2Cl)c1C#N 233824660 PUHNLBRFUYPUIY-UHFFFAOYSA-N 319.882 5.616 30 10 DKEE CCn1c2ccccc2c2cc(C=Nc3ccc(C#N)cc3)ccc21 252460103 BQTASUJFTOGCCD-UHFFFAOYSA-N 323.399 5.437 30 10 DKEE Cc1ccc(Nc2ccc(OCc3ccccc3)cc2)c(C#N)c1 310148911 FFEOPVKJIKARPP-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CCCCCCC[C@@H](Cc1sccc1Cl)NCCC 382084577 JWLRWVMJARBKNM-AWEZNQCLSA-N 301.927 5.673 30 10 DKEE Cc1cc(Br)c(C)c(Oc2c(C)cccc2C#N)c1 686555672 GTAKITUUWVDKKR-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE CCCCCCCCN[C@H](C)c1cc(Cl)cc(Cl)c1F 692346463 DPLDYHHPSFBFAN-GFCCVEGCSA-N 320.279 6.144 30 10 DKEE CCC(CC)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698878066 XORSESSVFHGCMJ-KRWDZBQOSA-N 322.493 5.275 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC2(CCCCC2)C1 1976031729 LIWAWCBJLPIHOE-LJQANCHMSA-N 320.477 5.030 30 10 DKEE CCCCCCCN[C@@H](C)c1cscc1Br 1987150029 DKBKHHHDZXJHIS-NSHDSACASA-N 304.297 5.132 30 10 DKEE C=CCCCCCCCCO[C@@H](CC)CNCc1ccccc1 1995325497 LDSRXISTTZZCDE-NRFANRHFSA-N 317.517 5.488 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Br)co1 2003087817 FRVNLGDBOLRPBO-ZDUSSCGKSA-N 302.256 5.053 30 10 DKEE FC(F)c1c(Cl)cc(OC(F)(F)F)cc1C(F)(F)F 2054961540 UOOBSYVNRZDTPP-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCCCCC[C@@H](O)c1ccc(C)c(Br)c1C 2075716791 YNMDSRMURMLHLX-OAHLLOKOSA-N 311.263 5.236 30 10 DKEE CCCCCCC[C@@H](N)COc1ccc(Cl)cc1Cl 2096133982 KWFUUQOMZHPMCJ-CYBMUJFWSA-N 304.261 5.060 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Br)cc2)CC1 2100881395 FHJBNEKVDKKTEI-QGZVFWFLSA-N 320.274 5.492 30 10 DKEE C=CC1(C[C@@H](NCC)c2ccc(Br)cc2C)CCC1 2111718611 KWYWIPFQNXZTMF-MRXNPFEDSA-N 322.290 5.155 30 10 DKEE CCCCCCC[C@H](O)[C@@H](NCCC)c1ccsc1Cl 2147439199 WKVYIXJDTHMJOT-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE N#CC1(c2c([N+](=O)[O-])ccc(Cl)c2Cl)CCCCCC1 2159684691 YYMQBFFKYFBRDS-UHFFFAOYSA-N 313.184 5.017 30 10 DKEE C[C@H](CC(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2203956788 MYWNDRAAGDGCGZ-QMTHXVAHSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCCCN(C)Cc1cc(Cl)cs1 2207376011 IDHJUHXBSFTTGZ-UHFFFAOYSA-N 313.938 6.140 30 10 DKEE C=CCCCCCCCOc1ccc(Br)cc1C 2220089341 PMYUVVQHYPQSPK-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE C=CCCCCCCCC(=O)c1cc(F)c(Cl)cc1F 2235540792 AUIOVKYTKGMKJW-UHFFFAOYSA-N 300.776 5.718 30 10 DKEE C=C(C)CCCCNc1cc(Br)c(Cl)cc1F 2250167041 OLRAWILPYFWXAC-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc(Br)co1 2259204547 JUARNLAVPNPRSO-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2270971175 RKDRLLQOJUKATA-MRXNPFEDSA-N 300.273 5.699 30 10 DKEE C=CCCCSC[C@@H](NCCC)c1cc(C)cc(Cl)c1 2287072818 OBDNQPZGDSQIBC-QGZVFWFLSA-N 311.922 5.389 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@@](C)(F)CC[C@@H]1NC 2287190146 VDCUHDHSNUIDCZ-BBWFWOEESA-N 301.515 5.115 30 10 DKEE C=CCCCCCC[C@H](NC)c1cnc(C(C)(F)F)s1 2289280180 CBLUMNABGABUHN-LBPRGKRZSA-N 302.434 5.042 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2295244923 LAIHFTPIKXNYBK-NEPJUHHUSA-N 303.393 5.082 30 10 DKEE C=CC[C@H](C)SC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2335103988 TZKNLPLNLYQXHL-LKFCYVNXSA-N 322.276 5.091 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1ccc(-c2cccs2)s1 2370492016 RSVSLQLBVIMTTO-SJORKVTESA-N 305.512 5.730 30 10 DKEE Cc1csc(S[C@H]2C[C@H](c3ccccc3)CC[C@@H]2C#N)n1 37155786 IAOZYIWKYLRCNL-OAGGEKHMSA-N 314.479 5.020 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccc(Cl)cn2)C1 79426683 RZLXAHMCSQLYSE-GZBFAFLISA-N 322.905 5.572 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2cccs2)c(C)c1C 83193537 DUUMDHMMRPOITB-VQHVLOKHSA-N 300.423 5.050 30 10 DKEE N#C[C@]1(Cc2cc(Cl)ccc2Cl)CCCc2ccccc21 87930134 BEOJHCGDKBXDGE-GOSISDBHSA-N 316.231 5.334 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@@H](C)c2ccccc2Cl)C1 110265537 TZIFBTVBYPDXKV-LUXYFRNMSA-N 304.865 5.051 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc(F)ccc1Cl 127642049 WAFOENHIMLPRII-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@]1(C)CCCS1 135570746 WIWWQFNBTUFHNQ-MSOLQXFVSA-N 300.552 5.944 30 10 DKEE CCCCCCCCC[C@H](N)[C@H]1SCCS[C@H]1CC 135854101 HFDMMVSOSMSLKT-HRCADAONSA-N 303.581 5.082 30 10 DKEE Cc1cc(Cl)ccc1Nc1cccc(Br)c1C#N 168465313 MMKMFAFBFMJAMN-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1ccc(N=C/C=C2\N(C)c3ccccc3C2(C)C)c(C)c1 254771223 KUKILXNQQJEDDT-OYTJFACUSA-N 304.437 5.317 30 10 DKEE CCCCCCCCNC[C@H](c1ccc(C)cc1)N(CC)CC 257626045 AKKUFOFLIOPQES-OAQYLSRUSA-N 318.549 5.328 30 10 DKEE C=CCOc1cc(SCc2ccccc2)ccc1C(=O)CC 261051669 OLMIURRBLHYJNE-UHFFFAOYSA-N 312.434 5.136 30 10 DKEE Fc1ccccc1N=Cc1ccc(C=Nc2ccccc2F)cc1 263592849 APKZTEMTWQNLIF-UHFFFAOYSA-N 320.342 5.466 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1CS[C@H](C)[C@H](C)S1 300169476 NPVAXWNDDTZXGX-QZWWFDLISA-N 318.592 5.504 30 10 DKEE CCCCCCCCC[C@H](O)c1ccsc1C(F)(F)F 394985845 CUAKUHMHDLIOBA-ZDUSSCGKSA-N 308.409 5.941 30 10 DKEE CC(C)(C)C[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698489525 POQQZIGLNXPFDA-LJQANCHMSA-N 316.445 5.147 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1cscc1Cl 711503306 WTOHRNOKYMFRCU-QGZVFWFLSA-N 316.938 6.746 30 10 DKEE CC(C)Cc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1 1614827323 VCOMFMBOLRJNGS-UHFFFAOYSA-N 302.339 5.304 30 10 DKEE N#Cc1ccc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1 1848373051 YWNGXEPBNMQMLO-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=CCCSc1nc(-c2ccc(Cl)cc2Cl)cs1 1860799824 ZRDOIGATGKXWSU-UHFFFAOYSA-N 316.278 5.785 30 10 DKEE CCCCCCCCCCOCC[C@@H](C)NCc1ccccc1 1915374497 WLLNXFQLNWJTAE-HXUWFJFHSA-N 319.533 5.712 30 10 DKEE CCCCCCCCOCc1nccc(C)c1Br 1926841737 DMJZXOJWXQETBU-UHFFFAOYSA-N 314.267 5.030 30 10 DKEE SC[C@H](CN(Cc1ccccc1)C1CCCCC1)C1CCC1 1932028933 MDFFDCHJBGVAHT-IBGZPJMESA-N 317.542 5.167 30 10 DKEE N#Cc1cc(F)cc(N(Cc2ccccc2)CC2CCCCC2)c1 1946760777 UVKJMZWRQXLFAG-UHFFFAOYSA-N 322.427 5.284 30 10 DKEE CCCCCCCCC[C@H](N)c1scnc1Br 2000253402 AVCKFPMTPXNOSE-NSHDSACASA-N 319.312 5.046 30 10 DKEE C=CCCCC[C@H](NC)c1c(C)sc(C)c1Br 2009494231 QSCXCSYKMXJIER-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(F)F 2060206320 TXWPHDAAEKHFMT-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CC(C)c1ccc([C@@H](C)n2nc(C3CCCC3)cc2C#N)cc1 2070138311 NHPMIJUVQORMGB-OAHLLOKOSA-N 307.441 5.145 30 10 DKEE C=CCCCCCC[C@@H](N)c1c(F)cccc1Br 2085851208 DOYRDDVVSNPMFG-CQSZACIVSA-N 314.242 5.115 30 10 DKEE C=CCC[C@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2139388877 GMIMANQNLVVHSA-ZDUSSCGKSA-N 302.245 5.009 30 10 DKEE CCCCCCCCCC[C@H](O)c1nn(C)c(Cl)c1Cl 2150720282 LAVKFJOUIHWENO-LBPRGKRZSA-N 321.292 5.291 30 10 DKEE C=CC1(C[C@@H](N)c2c(Cl)cccc2C(F)(F)F)CCC1 2168029484 WKWWYHWNXINFFJ-GFCCVEGCSA-N 303.755 5.105 30 10 DKEE C=CCCCCCCCOC(C)(C)[C@@H](C)NCc1ccccc1 2211144641 BBZINFXDXJUSPE-LJQANCHMSA-N 317.517 5.487 30 10 DKEE CCCC#C[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2225434488 SFNQJULPICPOMS-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE CC(C)c1cc(Br)cc(C2=CC(=O)CCCC2)c1 2254792076 TWKGYKUTPQAPOT-UHFFFAOYSA-N 307.231 5.099 30 10 DKEE CCCCCCCCC[C@H](C)NCc1csc(Cl)c1 2278243864 QJSDYUPKXNWEBL-AWEZNQCLSA-N 301.927 6.020 30 10 DKEE CCCC#CC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286472926 JOLYYWLUGYJTRD-QGZVFWFLSA-N 312.284 5.536 30 10 DKEE N#Cc1ccc(SC2CC3(C2)CC2(CCC2)C3)c(Cl)c1 2289702322 ACQKAQAMOMVKHT-UHFFFAOYSA-N 303.858 5.417 30 10 DKEE C=C(C)CCCCOc1c(Cl)cc(C[C@@H](C)N)cc1Cl 2296272921 MTGLCECEGCVUMB-GFCCVEGCSA-N 316.272 5.008 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1NCc1cccc(OCc2ccccc2)c1 2300151142 WTDRVQSVOLKWKL-IRLDBZIGSA-N 321.464 5.100 30 10 DKEE Cc1ccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)cc1 2324080618 LTTKGZRYMJQZOK-UHFFFAOYSA-N 321.449 5.181 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](CC)c1ccc(Br)cc1 2337079023 KOABMWLGFRKUOL-IAOVAPTHSA-N 322.290 5.235 30 10 DKEE CCCC[C@](C=O)(CC)Cc1ccc(Cl)c(Cl)c1C 2338677877 AGBOIHWIMQDXDT-MRXNPFEDSA-N 301.257 5.630 30 10 DKEE C=CCCCCCC[C@H](N)c1c(Cl)cc(C)cc1Cl 2353057590 VYCSQFAIEZWAKD-HNNXBMFYSA-N 300.273 5.828 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc2sccc2s1 2365092354 CVEDDQFMMDXRKJ-OLZOCXBDSA-N 303.496 5.053 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1c(Cl)ccc(Cl)c1F 2370488698 YJIOCMOYJRCXFU-HOTGVXAUSA-N 318.263 5.776 30 10 DKEE Cc1ccc(N/N=C/c2ccccc2C(F)(F)F)cc1Cl 6674049 CWUFIDNKYJYCFG-AWQFTUOYSA-N 312.722 5.113 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21 14548837 WLVSSHGKUXNWSB-WTANOLMUSA-N 309.434 5.139 30 10 DKEE C[C@@H](N[C@@H](CC#N)c1ccccc1)c1ccc(Cl)cc1Cl 55015430 ZZTWZZANYRZLNS-PXAZEXFGSA-N 319.235 5.299 30 10 DKEE CCCCCCCCCCCCc1ccc(O)c(C(C)=O)c1 60192882 YIWNFTGFMSYSJP-UHFFFAOYSA-N 304.474 6.058 30 10 DKEE C=CCc1cc([C@@H](C)CC)cc(C=O)c1OCCCCCC 66117822 QBJXWFQABAUCRB-INIZCTEOSA-N 302.458 5.700 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2C#N)CC1 86955644 KZDCGNUXVAFHBX-GDBMZVCRSA-N 304.865 5.619 30 10 DKEE COc1ccccc1/C=N/c1ccc(/N=N/c2ccccc2)cc1 100034307 NNXARXTZNMMBDS-OLVHUCRGSA-N 315.376 5.861 30 10 DKEE COc1cc(C#N)ccc1N[C@@H](C)c1ccc(Cl)c(Cl)c1 129886330 TWDLDYFBCRGGDP-JTQLQIEISA-N 321.207 5.047 30 10 DKEE CC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1cccs1 157919858 QPPZKRROPMTFNB-CYBMUJFWSA-N 310.344 5.202 30 10 DKEE CSc1cccc(SCc2ccc(Cl)cc2)c1C#N 165988669 HTZLEQJMNMBNPU-UHFFFAOYSA-N 305.855 5.226 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(Br)c(Cl)c1 168215387 PWQNAAMQQGWDLL-CQSZACIVSA-N 319.670 5.496 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCc2ccccc2Cl)C1 300153820 COWLDJWVLDGXCY-CKEIUWERSA-N 307.890 5.682 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cccc(Br)c2)CC1 724549212 MFMDKPNRUNHZFJ-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE CCCCCCC[C@]1(O)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 1896567900 GDWFACFEQGOKOJ-WOZUAGRISA-N 316.485 5.093 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(C(C)=O)cc1Cl 1914546812 HJPQFTFHOFGWNA-UHFFFAOYSA-N 313.828 5.125 30 10 DKEE C=CCCCCCCN[C@@H]1CCCC[C@@H]1OCc1ccccc1 1977461069 JWBKZUMRLDXGKK-RTWAWAEBSA-N 315.501 5.241 30 10 DKEE C=CC1(CC(=O)c2ccc(OCc3ccccc3)cc2)CCC1 1980010411 OFYKLSMTERSJDQ-UHFFFAOYSA-N 306.405 5.195 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1ccccc1OCc1ccccc1 1996468397 CKONBJYIBGORJF-XMSQKQJNSA-N 323.480 5.519 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(Br)c(C)s2)CC1 2010781798 ARXVMEYBNBHPMY-JTQLQIEISA-N 313.260 5.138 30 10 DKEE CCCCCCCN[C@H](C)c1ccc(C)c(Br)c1 2043812008 RPTPRBUHWAWVRJ-CQSZACIVSA-N 312.295 5.379 30 10 DKEE CC[C@@H](c1cccc(C)c1)n1nc(C2CCCCC2)cc1C#N 2070110635 IVIRFPDUZAPEDM-FQEVSTJZSA-N 307.441 5.110 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1ccc(C)c(Br)c1C 2108007285 TUPXDMKSSYVOCV-GDBMZVCRSA-N 322.290 5.073 30 10 DKEE CC1(CNc2cc(Br)cc(C#N)c2)CCCCCC1 2116028701 RELZYRIJLSIKKE-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CCCCCCCCCNCc1ccccc1Br 2142447677 VJXHFDLIYCXMQY-UHFFFAOYSA-N 324.306 5.455 30 10 DKEE C=CCCCCCCCC[C@@H](NN)c1csc(Cl)c1 2142450073 HNHGVIXVPIOGGT-CQSZACIVSA-N 300.899 5.213 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc3sc(C)cc3s2)CC1 2156562767 NBKPDNLXEXPVEN-AWEZNQCLSA-N 305.512 5.668 30 10 DKEE C=C(C)CC[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164162697 PVIFCMJWZSNKOS-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(SC(F)(F)F)cc1 2164268950 HTIIOTYGLNTAKD-CYBMUJFWSA-N 323.811 5.482 30 10 DKEE C=CC[C@@](C)(NCc1cc(-c2cccs2)cs1)C(F)F 2182196195 UPVAJHBNBXEGFL-OAHLLOKOSA-N 313.438 5.166 30 10 DKEE CCCCCCCCCN(C)[C@@H]1CS[C@@H](C(F)(F)F)C1 2195537408 PBJRPOBRBKVBQD-UONOGXRCSA-N 311.457 5.105 30 10 DKEE C#CCCCCC[C@@H](NC)c1ccc(-c2cccs2)s1 2205870402 FDPNBNBPKRPTPS-CQSZACIVSA-N 303.496 5.321 30 10 DKEE C=CCCCCCCCC(=O)[C@H]1SCCS[C@H]1CC 2227280999 PVCADIJLLGPIEQ-JKSUJKDBSA-N 300.533 5.099 30 10 DKEE CCC[C@H](C(=O)[C@H](C#N)c1cccc(Cl)c1Cl)C(C)C 2235752785 DLTOITWKHYPRSX-WCQYABFASA-N 312.240 5.242 30 10 DKEE C=CCCC[C@H](N)c1cc(Br)cc(C(C)(C)C)c1 2260291016 CZKYEDQVEMNCIP-HNNXBMFYSA-N 310.279 5.103 30 10 DKEE CCCCCCCCCOc1c(Br)cccc1C#N 2269720644 KMNORWPBALTHPN-UHFFFAOYSA-N 324.262 5.450 30 10 DKEE CCC1(C)CCC(Nc2c(Br)cccc2C#N)CC1 2269730239 CXBMAJIIOYMHFP-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE Cc1cc2sc([C@H](O)CC=CC#CC(C)(C)C)cc2s1 2284134961 JSGKHWDZDPSXSK-CYBMUJFWSA-N 304.480 5.300 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@H](F)CC[C@H]1NCC 2287381777 AMYDGAVLKZOJFK-BRWVUGGUSA-N 301.515 5.115 30 10 DKEE C=CCCCOc1c(Cl)cc(CN[C@H](C)CC)cc1Cl 2296253889 QIWUJENJRDIQAO-GFCCVEGCSA-N 316.272 5.227 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(CNC)cc1Cl 2296254423 XCCGHENZQONIRC-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE Cc1cccc(C=C2CCCC(=Cc3cccc(C)c3)C2=O)c1 2297334053 ZZYOFKXXCCXKBI-UHFFFAOYSA-N 302.417 5.523 30 10 DKEE CCCCCCCCCCC=CCCCCCCCC(=O)O 2297748848 LQJBNNIYVWPHFW-UHFFFAOYSA-N 310.522 6.889 30 10 DKEE C=CCC(CC=C)Sc1c(Cl)cccc1CNC1CC1 2360373428 YAEOGGCCWXRJJP-UHFFFAOYSA-N 307.890 5.205 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2370522472 QPUFHZDZJIHRMJ-SJORKVTESA-N 314.300 5.506 30 10 DKEE Clc1cc(Cl)cc(/N=C2\NC[C@@H](c3ccccc3)S2)c1 35083685 BAWCVJYTURXYHY-AWEZNQCLSA-N 323.248 5.059 30 10 DKEE C[C@@](C#N)(CCOc1cccc2ccccc12)c1ccccc1 57687446 JQYFVKURJYQFRW-NRFANRHFSA-N 301.389 5.090 30 10 DKEE N#Cc1cccc(CSCCOc2cccc3ccccc23)c1 58239742 KYRFKHADDCCHNC-UHFFFAOYSA-N 319.429 5.024 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(Br)cs2)C1 87973056 IBERIYXDOXPXJM-BXUZGUMPSA-N 312.276 5.163 30 10 DKEE CCCCCCCC(=O)Nc1ccc(OCCC(C)C)cc1 100168815 UTHDDMHIXMZEEI-UHFFFAOYSA-N 305.462 5.411 30 10 DKEE CCCCCCCNCc1cc(Cl)c(OCC)c(Cl)c1 102554226 XVAVKELJLMQTMS-UHFFFAOYSA-N 318.288 5.452 30 10 DKEE CCCCCCC[C@H](CNCCC)Cc1cccc(Cl)c1 110189959 PISYWEKVSBVZLX-SFHVURJKSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCC[C@@H](CSc1ccccc1)NC 115648389 NLQIIXPSSFGOMW-SFHVURJKSA-N 307.547 5.898 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1cccc(Cl)c1 115858478 SGOVPSKFLNUPTK-IBGZPJMESA-N 309.925 6.131 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1ccc(Cl)cc1F 160357466 ATAZCNWEPJSQSJ-MRXNPFEDSA-N 300.845 5.523 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)c(OC)cc1Cl 166824793 CCYHCBNDSBTZIJ-AWEZNQCLSA-N 304.261 5.362 30 10 DKEE N#C[C@@H](c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl 167245712 YBKOVJVNOFLLCN-KRWDZBQOSA-N 322.751 5.057 30 10 DKEE CCCCCCCCCC[C@H](N)[C@H]1SCCS[C@@H]1C 228111365 CNBFTMQJNIEETM-PMPSAXMXSA-N 303.581 5.082 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1)c1cc(Cl)sc1Cl 315072992 HYFDLNREEHAATF-AWEZNQCLSA-N 324.276 5.147 30 10 DKEE C=CCCC[C@H](C)N[C@H](C)c1ccc(OCc2ccccc2)cc1 398135334 XOPUZEWQIIZDCE-RBUKOAKNSA-N 323.480 5.661 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H](C)Sc2sccc21 692239591 LUCHJXIVRUTURS-SJXGUFTOSA-N 307.528 5.398 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C(CC)(CC)CC 698407935 OTJDNVYGEGUKGI-HUUCEWRRSA-N 310.482 5.131 30 10 DKEE CCCCCCCCCC[C@](C)(O)COCc1ccccc1 699391740 MSJLDTMGDLIOBY-FQEVSTJZSA-N 306.490 5.485 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(C)c(C(F)(F)F)c1 710671244 WEVMGGPDXLMHFX-CQSZACIVSA-N 305.771 5.197 30 10 DKEE C=C(CC)C[C@H](NCC)c1c(Cl)cccc1C(F)(F)F 712579597 GRKJZNFODBBIFP-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE CCCCCCCCC[C@@H](O)CCCOCc1ccccc1 719465103 LMDVDNAMJMRZHF-HXUWFJFHSA-N 306.490 5.485 30 10 DKEE C=C1CCC(C[C@H](Cc2c(Cl)cccc2Cl)NC)CC1 724589433 QYCXWLVROBVERH-CQSZACIVSA-N 312.284 5.260 30 10 DKEE CCCCCCCCCOc1cccc(NC(=O)CCC)c1 1860089129 WDVCCPYHRATJTI-UHFFFAOYSA-N 305.462 5.555 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1Cl 1874613313 NWRDGPOENFOJNV-YCRREMRBSA-N 321.203 5.288 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cc(Cl)ccc1C(C)=O 1914552182 XFGHGFQDCPBOIX-UHFFFAOYSA-N 313.828 5.125 30 10 DKEE C[C@@H](CCS)CCN(Cc1ccccc1)CC1CCCCC1 1931883888 MARPJUPEPKCTKX-GOSISDBHSA-N 319.558 5.415 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1cccc(OCc2ccccc2)c1 1996710605 UILIVGZENNOBOE-UNMCSNQZSA-N 321.464 5.273 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cc(C)nc2ccccc12 2019303289 RLWYOXZQCHHPJB-UHFFFAOYSA-N 316.448 5.122 30 10 DKEE CCCCCCCCC=CCCCCCCCCCC(=O)OC 2038069665 RBKMRGOHCLRTLZ-UHFFFAOYSA-N 324.549 6.977 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2coc(Br)c2)CC1 2039375926 LSJUTKJWGDWBBF-HNNXBMFYSA-N 310.235 5.085 30 10 DKEE C=C([C@H](NC)c1c(Cl)ccc(Cl)c1Cl)C(F)(F)F 2045674980 FGKNWGGRSXHXGT-JTQLQIEISA-N 318.553 5.026 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1ccc(C)c(Br)c1 2045991777 CFJJQCFMXSCRTF-INIZCTEOSA-N 308.263 5.410 30 10 DKEE C=CCCCCC[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 2098393604 XTERILHAMVWGGC-OAHLLOKOSA-N 304.236 5.443 30 10 DKEE C=CCC[C@H](C)C[C@@H](NCCC)c1cccc(Br)c1 2113417625 KBVWCUQHVZTNKG-WMLDXEAASA-N 324.306 5.482 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccc(SC)s1 2149703368 AZDMRMZQXYPANH-CQSZACIVSA-N 314.564 5.505 30 10 DKEE N#Cc1cc(F)ccc1Nc1cc(Cl)c(F)c(Cl)c1F 2200730900 WVMNEMYYYOOPQN-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE CC1CC(C#N)(Cc2c(Br)sc3ccccc23)C1 2217954224 MKKFXVYIMYCJJF-UHFFFAOYSA-N 320.255 5.146 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1occc1Br 2220091599 HNJIXSGQGMWOGJ-CQSZACIVSA-N 314.267 5.219 30 10 DKEE CC[C@](C)(CCCC(C)C)Oc1nc(Cl)c(C#N)s1 2226051414 DZIAQCXLGHBYCW-CQSZACIVSA-N 300.855 5.042 30 10 DKEE C=CCCCCCCC[C@@]1(O)C[C@H](C)Sc2sccc21 2235532699 NCBXIJACRGNLCJ-WMLDXEAASA-N 310.528 5.737 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1occc1Br 2263662071 QXJWUVAUQLRANI-OAHLLOKOSA-N 317.267 5.390 30 10 DKEE CCOc1ccc(C(C)(C)C)cc1C(=O)C=Cc1cccs1 2295967821 XPHJEYIJZCSHLE-UHFFFAOYSA-N 314.450 5.340 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1csc(C)c1Br 2303637247 OESPRZSSEXJTPD-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CCCOc1ccc(Cl)cc1C=CC(=O)c1ccc(F)cc1 2322748435 VHMMADMVZNANAZ-UHFFFAOYSA-N 318.775 5.164 30 10 DKEE CCC(=NOCCOc1cccc2ccccc12)c1ccccc1 2330245930 QZQXBVHOTMKVGV-UHFFFAOYSA-N 319.404 5.050 30 10 DKEE CCCCCCC[C@H](C)NCc1ccc(Cl)c(Cl)c1C 2364596006 CELZIWXSMLAGSD-ZDUSSCGKSA-N 316.316 6.140 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cscc1C(F)(F)F 2370482717 OMXKIWXKBTVCHD-UONOGXRCSA-N 305.409 5.410 30 10 DKEE CCCCCc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 33247289 XZMFLDLPMNILKE-GDNBJRDFSA-N 323.392 5.224 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2ccc(F)cc2)c(C)c1 83193646 FPVQUEIRICBJFB-JXMROGBWSA-N 312.384 5.127 30 10 DKEE CCCCCCCCCCCCCC(=O)Nc1cccc(F)c1 100442825 CKRZYKUHVSIFKU-UHFFFAOYSA-N 321.480 6.465 30 10 DKEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Oc1ccc3ccccc3c1)C2 100937357 WAAORYRPVMRRSD-LAUBAEHRSA-N 306.405 5.128 30 10 DKEE CCCCCCCCCCCC[S@](=O)c1ccccc1F 113941415 WRONVFZXIHDMMI-OAQYLSRUSA-N 312.494 5.854 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H]1Cc2ccccc2S1 140367359 RCSPPXSURSSWAI-PKOBYXMFSA-N 305.531 5.432 30 10 DKEE N#Cc1ccc(COc2ccc(Cl)c(Cl)c2)c(Cl)c1 162984414 DWTJDYYXMYUKHT-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE N#Cc1ccc(Sc2ccc(O)c3ccccc23)cc1Cl 163448360 WBVSJFADVSDAAD-UHFFFAOYSA-N 311.793 5.222 30 10 DKEE CSc1cccc(N[C@H](C)c2ccccc2Cl)c1C#N 167582014 HPTQHOALHPDJGD-LLVKDONJSA-N 302.830 5.107 30 10 DKEE CCCCCCCC[C@@H](OCc1ccc(F)cc1)C(=O)OCC 196489097 QRXPACBPEICEKO-GOSISDBHSA-N 324.436 5.025 30 10 DKEE O=C(C1=CCCCCC1)c1cccc(Br)c1Cl 228421918 GQOWJPCVZDDQAW-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE Cc1cc([C@H](CC#N)C2CC2)cc(F)c1OCc1ccccc1 260369782 DAXMUOHUMANAJO-GOSISDBHSA-N 309.384 5.120 30 10 DKEE CCCCCCC[C@]1(C#N)CCCCN1C(=O)OC(C)(C)C 309843773 XGXJCUVUQCTVJD-GOSISDBHSA-N 308.466 5.030 30 10 DKEE CC(C)CCCCCC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 383405966 VDKSFXOWUJGQPJ-UHFFFAOYSA-N 322.493 5.134 30 10 DKEE N#Cc1cc(Nc2nc3ccc(Cl)cc3s2)ccc1Cl 690219065 QTAYOMXMUKECBA-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(Cl)c1 698852934 SYNWQDAQHWLLRF-KRWDZBQOSA-N 322.836 5.164 30 10 DKEE CC[C@@H](C)C[C@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCC1 698913320 ZVZWTKKWBBEMKZ-BEFAXECRSA-N 322.493 5.275 30 10 DKEE CCCCCCCC[C@H](N)CCc1cc(Cl)cc(Cl)c1 722125475 LYFMLCBKXIAZOV-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE CSc1cc(SC(F)(F)F)c2sccc2c1C#N 725291926 HHOLXMDPJUWFGO-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE CCCCCCC[C@H](O)c1ccc(Br)c(F)c1C 829198023 ZPKNNCJFQLBXKP-AWEZNQCLSA-N 317.242 5.291 30 10 DKEE CCN(CC)c1ccc(N=Cc2cccn2-c2ccccc2)cc1 1084428799 OTUXQCDQPIMWQE-UHFFFAOYSA-N 317.436 5.074 30 10 DKEE CC(C)c1cccc(C(C)C)c1Nc1ncc2c(c1C#N)CCC2 1859841274 ACVYGPPPUKMUME-UHFFFAOYSA-N 319.452 5.432 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C=O)CCCC12CCC2 1921615099 AWUXNNPJSURLLE-GUYCJALGSA-N 321.258 5.092 30 10 DKEE CCCCCCCOc1cc(F)c(Br)c(F)c1 1944088336 PMUPZCWYVPDIHS-UHFFFAOYSA-N 307.178 5.077 30 10 DKEE C=CCC[C@H](C)n1ccc2c(OCc3ccccc3)cccc21 1975926798 PVGMIKSROOQSQR-KRWDZBQOSA-N 305.421 5.748 30 10 DKEE CC#CCCCC[C@H](NCC)c1cc(Cl)c(Cl)s1 2075362694 LHTRYLYNWWMDLD-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(Cl)sc1C 2098228480 SMJQTTXPGIXCOA-HNNXBMFYSA-N 301.927 6.111 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2123079570 FFAYHVNWXFISOV-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE CC(C)C(CCNc1cc(Br)ccc1C#N)C(C)C 2132737574 BELGIOWQTFWTFA-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(C)cc1Cl 2136684449 JLXNNSWPQLHHTC-MRXNPFEDSA-N 303.273 6.086 30 10 DKEE CCC[C@@H](C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)C 2144871684 BNHJMLSHEJYMSO-OLZOCXBDSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCCC(=O)[C@H](O)c1ccsc1Cl 2147146505 UJQDOESDSOLZSM-OAHLLOKOSA-N 316.894 5.535 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ncc(C(F)F)s1 2164486196 FAYYHQURJDNIIH-GFCCVEGCSA-N 305.434 5.645 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 2179683697 WZNKOWJGFOYLHB-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccc(-c2cccs2)s1 2205876221 FLXUKZHCNHJLSM-CQSZACIVSA-N 305.512 5.874 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1cc(Cl)ns1 2207414483 OORJCSHOUUVOOR-CQSZACIVSA-N 314.926 5.754 30 10 DKEE C=CCCCCCCCCC[C@@](C)(O)CSC(C)(C)C 2207437063 OWQLMNNJQWWRKQ-GOSISDBHSA-N 300.552 5.966 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cscc1C(F)F 2235541677 KIKMCOLDOCSAOP-CQSZACIVSA-N 302.434 5.107 30 10 DKEE CCCCCCCCCCCOC[C@H](CS)C1CCC1 2239503494 WJJSRKNEKZSHST-GOSISDBHSA-N 300.552 5.880 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(Br)c(Cl)c1 2250158666 KNDMHIJGYQBKGI-CQSZACIVSA-N 317.654 5.272 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(C)cc(Br)c1F 2259236413 BNEVEPPATFCYHO-CQSZACIVSA-N 315.226 5.067 30 10 DKEE CC1CC(CS)(CSCC2(C)CC(C(F)(F)F)C2)C1 2271692752 SZPRVCKLWBWPAL-UHFFFAOYSA-N 312.466 5.044 30 10 DKEE CCCCCCCCCCOc1nc(Cl)nc(Cl)c1F 2280396681 VTHGFEPANNYUHQ-UHFFFAOYSA-N 323.239 5.442 30 10 DKEE C=C(Cl)C[C@@H](CCCCCCCCC)OCCC(=O)O 2291447329 CITAJUYQMNABKX-OAHLLOKOSA-N 304.858 5.130 30 10 DKEE CCC[C@@H](CS)COCCCc1cc(Cl)cc(Cl)c1 2341120993 JRQFJHADJPKCEY-CYBMUJFWSA-N 321.313 5.289 30 10 DKEE O=C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCC12CCC2 2366843816 QXVGQIYXBWQRSG-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1csc(C(F)F)c1 2370481450 DRBGNJMQBBDZKH-GOEBONIOSA-N 301.446 5.719 30 10 DKEE Clc1ccccc1/N=C/N(Cc1ccccc1)c1ccccc1 5799848 AEJTTZWLUYOTJE-CJLVFECKSA-N 320.823 5.707 30 10 DKEE N#Cc1ccc(Nc2cc(C(F)(F)F)ccc2F)c(Cl)c1 110258706 MBYAEJBIKLGWRY-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Br)s1 114419495 BUYJZAKJBUALKF-GFCCVEGCSA-N 319.308 5.685 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 114872331 WGMVTYJSAZAUPY-OAHLLOKOSA-N 307.236 5.701 30 10 DKEE CCCCCCCCC[C@@H](N)CSc1cccc(Cl)c1 116829136 IMNLSCQDKJZPDU-MRXNPFEDSA-N 313.938 5.900 30 10 DKEE Cc1cc(Cl)c(N[C@@H](CC#N)c2ccccc2)cc1Cl 128158746 BHEPISIVOCJQEN-HNNXBMFYSA-N 305.208 5.369 30 10 DKEE CCCCCCCCCCN[C@H](C)c1ccc(Cl)c(F)c1 213884568 LJNYOPRCIVYIKJ-OAHLLOKOSA-N 313.888 6.270 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccoc1Br 232994443 QLWWSAHHMNQKJS-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE O=[N+]([O-])c1ccc(/C=N\[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 254483264 AGNSXOBSVWJNTP-HGBBTKGQSA-N 324.424 5.073 30 10 DKEE C=C([C@@H](NCCC)c1cccc(Cl)c1Cl)C(F)(F)F 382542229 YLBILTCGPLSDRP-GFCCVEGCSA-N 312.162 5.153 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccsc1Br 388561593 MRTMBFNFDJSBER-GFCCVEGCSA-N 318.324 5.349 30 10 DKEE Cc1ccc(Nc2cc(Cl)c(Cl)c(Cl)c2)c(C#N)c1 404257841 MZZBEFKROGKFJA-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cc(Cl)sc1Cl 686692880 HYMSPMAWCZHGGJ-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE CCCCCCC[C@@H](O)c1sc(C)c(Br)c1C 724996044 BFRKJTFUURUPCT-GFCCVEGCSA-N 319.308 5.521 30 10 DKEE CCCCCCCCCCN=c1[nH]nc(-c2cccs2)s1 1859792850 QGCZMRVPBXOADU-UHFFFAOYSA-N 323.531 5.241 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)[C@H]1CCCC(C)(C)C1 1980273204 BNIPARXRFCRBTE-HRCADAONSA-N 322.493 5.131 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)CC(C)(C)C 1981292975 ZZHINYZGOZKPRL-UHFFFAOYSA-N 317.517 5.320 30 10 DKEE CCC[C@](C)(C#N)Cc1ccc(Cl)c(Br)c1F 2001857716 VTJPVSHYWMSXCR-ZDUSSCGKSA-N 318.617 5.114 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Br)co1 2003087182 XVGNZIFVXNVGSH-ZDUSSCGKSA-N 302.256 5.183 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(Br)sc1C 2026023245 DDWYGWYSKVZTPZ-ZDUSSCGKSA-N 317.292 5.379 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1snc(Cl)c1Cl 2053389553 JWDNQENNHBTZJP-ZDUSSCGKSA-N 303.258 5.103 30 10 DKEE O=C(C=CNc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)F 2059947718 PWSSUNFQLORDDQ-HRWJOGJYSA-N 319.286 5.159 30 10 DKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H](C(=O)O)CCC/C(C)=C\C[C@H]12 2069568546 FVDVQQJLECWRKH-LOZHWJMKSA-N 304.474 5.596 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(C)cc(Br)c1 2085856726 QALCOTODNCLGKK-INIZCTEOSA-N 310.279 5.284 30 10 DKEE C=C([C@H](NC)c1cc(-c2cccs2)cs1)[Si](C)(C)C 2107828625 HPMCWUOBYYYMMW-HNNXBMFYSA-N 307.560 5.171 30 10 DKEE CCCCCCC[C@@H](NCCC)c1snc(Cl)c1Cl 2110890059 XCMLQIVGJJCUNG-LLVKDONJSA-N 323.333 5.851 30 10 DKEE C=C1CC(CC[C@H](NCCC)c2cccc(Br)c2)C1 2125743407 WQWKLYYDMBSLMU-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE Cc1cc([C@H](O)C2(C#N)CCC(C(C)C)CC2)sc1Cl 2165373280 KVDZNZQZKWYXEN-UGWHAMFMSA-N 311.878 5.100 30 10 DKEE CO[C@H]1CCC[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 2182783861 MFLHKEYVAVDQCV-HOTGVXAUSA-N 312.240 5.025 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1cc(Cl)cc(Cl)c1 2231522874 ZCZSLKWYUWPYAE-WBMJQRKESA-N 300.273 5.116 30 10 DKEE N#C[C@H](C(=O)CCC1CCCC1)c1cccc(Cl)c1Cl 2235757225 KEQXBJAPOQCNLB-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE N#Cc1c(Cl)cccc1SCC1(C(F)(F)F)CCC1 2274598153 RRWWZHXDXWTLIY-UHFFFAOYSA-N 305.752 5.036 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(C(F)(F)F)s1 2295010274 BPLLQBPOOFYMOJ-LBPRGKRZSA-N 305.409 5.554 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2c(C)cc(C)cc2C)cc1 2324545389 ANLNTJQLESQHEQ-UHFFFAOYSA-N 306.405 5.073 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCCC)c1c(F)cccc1Cl 2360328696 WNLKEAVXXJYCRZ-IUODEOHRSA-N 315.885 5.218 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCC)c1c(Cl)ccc(Cl)c1F 2370488699 YJIOCMOYJRCXFU-HZPDHXFCSA-N 318.263 5.776 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1NCc1cc(F)c(Cl)cc1Cl 2377386002 HTWJDHXDYKVSCX-BZNIZROVSA-N 316.247 5.357 30 10 DKEE N#Cc1cccc(NCc2c(Cl)ccc(Cl)c2Cl)c1 37203224 DOSMJVRJCPLJJS-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1cccc(Cl)c1Cl 37938125 PINCTPMZDMOKDO-ZDUSSCGKSA-N 311.599 5.324 30 10 DKEE CCCCCCCOc1ccc2ccccc2c1CNCCC 100047483 AULFLQWLXKSAJC-UHFFFAOYSA-N 313.485 5.689 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(OCCOCC)cc1 100048393 BBIINOHSUNYKQK-SFHVURJKSA-N 321.505 5.113 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 109706793 UJCOGXKJNNWAAQ-OAHLLOKOSA-N 306.252 5.667 30 10 DKEE CCCCCCCCC(=O)Cc1cccc(Br)c1 109709408 LJCPRBANFCRKPE-UHFFFAOYSA-N 311.263 5.311 30 10 DKEE CCCCCCCCCCC(=O)Cc1ccc(F)cc1Cl 109711423 FBJFXFWTHOCROY-UHFFFAOYSA-N 312.856 6.122 30 10 DKEE CC[C@@H](C)Oc1cccc(Nc2ccc(Cl)cc2C#N)c1 110258092 VOJVWZQYXQOFMT-GFCCVEGCSA-N 300.789 5.133 30 10 DKEE CCCCCCCCCCCCC(C)(C)c1ccccc1N 113355612 DFCGDYHGRKJQLI-UHFFFAOYSA-N 303.534 6.857 30 10 DKEE CCCCCCCCCCC[C@H](O)Cc1ccccc1Cl 115862122 QVOAXYHTTQHAER-SFHVURJKSA-N 310.909 6.164 30 10 DKEE CCCCCCCCCC(=O)Nc1cc(C#N)ccc1Cl 127887934 MUQKFPAYDTXFGF-UHFFFAOYSA-N 306.837 5.291 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1cc(C)c(C)s1 157785535 KUOWHGOVWMCDAF-GOSISDBHSA-N 309.563 6.546 30 10 DKEE CCSc1cccc(Nc2ccccc2SC)c1C#N 232274656 HSDCFRDVMXZKAF-UHFFFAOYSA-N 300.452 5.136 30 10 DKEE Cc1ccc(C#N)cc1Oc1nc(Cl)c(Cl)cc1Cl 232318444 ZPLKOBIWADQUIL-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2)c(Cl)c1 236062044 NBGFMRITYHTRJV-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCCC[C@@H](Cc1sccc1Cl)NCC 394204588 SMLQUHICYNIZFM-AWEZNQCLSA-N 301.927 5.673 30 10 DKEE CC1(C)CC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCCC2)C1 698372099 AJUUTDOMAAYWIQ-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CCCCCCC[C@@H](C)NCC(C)(C)N(C)Cc1ccccc1 714220790 LVXHWHFXJVBYQG-LJQANCHMSA-N 318.549 5.236 30 10 DKEE CCCCCCCC[C@@H](Cc1scnc1Cl)NCCC 722013546 VOWNLUJVBALFFD-AWEZNQCLSA-N 316.942 5.458 30 10 DKEE N#Cc1c(-c2cccc(C(F)(F)F)c2)cccc1C(F)(F)F 1848368129 OUIOIEYFVQSWMO-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE CCc1ccc(/C(C)=N/OCc2ccc(C(C)(C)C)cc2)cc1 1857936014 OHVQLABIVGJKTH-CJLVFECKSA-N 309.453 5.487 30 10 DKEE COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1Cl 1874603232 MAUKXPYBPKNJJG-UXBLZVDNSA-N 322.791 5.398 30 10 DKEE C=C(C(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 1888628398 MSHGLWRABGFNSD-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE CCCCCCC[C@]1(N)CC[C@@H](C)C[C@H]1OCc1ccccc1 1977490525 PBPQTSYQFCCIAK-NRSPTQNISA-N 317.517 5.450 30 10 DKEE C=CCCCC[C@@]1(N)CCC(C)(C)C[C@H]1OCc1ccccc1 1984517227 BEONYDHBUMWNTC-TZIWHRDSSA-N 315.501 5.226 30 10 DKEE C=C(F)C[C@H](N)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993580541 NDMBWAMAPUPHPP-HNNXBMFYSA-N 322.424 5.030 30 10 DKEE CCCCCCCC[C@H](NC)c1scc(Cl)c1Cl 2035091414 HBFIOGDIIAILFX-LBPRGKRZSA-N 308.318 6.066 30 10 DKEE C=C(C)CC(=O)c1ccc(-c2ccc(Br)cc2)s1 2045673654 LDBVBVBKPVEICE-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE CCC1CCC(C#N)(Cc2cc(Cl)sc2Cl)CC1 2074835836 WPSHYEKMHFHWQN-UHFFFAOYSA-N 302.270 5.708 30 10 DKEE C=CCCCCCC[C@@H](O)c1cccc(Br)c1F 2085917781 TZGWMSZEMANYLV-CQSZACIVSA-N 315.226 5.148 30 10 DKEE CCCCCCCCCCNCc1cc(Cl)sc1C 2098159604 RBPZRKHQZFUOQA-UHFFFAOYSA-N 301.927 5.940 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cccc(Br)c1C 2102112010 PUGYSUYLXIOXCW-DYVFJYSZSA-N 324.306 5.401 30 10 DKEE C=CCCCCCC[C@H](NCC)c1ccccc1Br 2113427884 WGOHFYHCJRTAMA-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE C=CCCCCCCN1CCCc2cccc(Br)c21 2141920606 WOCBMEDKMWGXBF-UHFFFAOYSA-N 322.290 5.338 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(C(F)(F)F)ns1 2155025495 GMRKYNSZBFBOLP-LLVKDONJSA-N 308.413 5.173 30 10 DKEE CCCC(CS)(CCC)CN1CC[C@H](c2cccs2)C1 2179853525 IWQONGBXQDMCTC-HNNXBMFYSA-N 311.560 5.054 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2ncc(Cl)cc2Cl)CC1 2181672867 IYEGKJVBFJIDML-LLVKDONJSA-N 312.240 5.344 30 10 DKEE C#CC[C@H](C[C@@H](NCC)c1cc2cscc2s1)C1CC1 2196850107 SYFUSBCPJCFFQY-UKRRQHHQSA-N 303.496 5.053 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1F 2204356494 QTTQEEKHQRPERD-CQSZACIVSA-N 321.263 6.307 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2224368134 ATSRXWUEYOVCHU-YGRLFVJLSA-N 320.691 5.900 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Cl)cc(F)c1Cl 2231222867 RSPBYEQIFWGJGX-OAHLLOKOSA-N 306.252 5.667 30 10 DKEE C[C@@H](CC(C)(C)C#N)Sc1nc(-c2ccccc2)cs1 2234273262 RUPFPYYCPRKPOV-LBPRGKRZSA-N 302.468 5.231 30 10 DKEE CCCCCCCCCCCOC[C@@H](CS)C(C)(C)C 2239504656 ZLKBCBZGJDBCAW-KRWDZBQOSA-N 302.568 6.126 30 10 DKEE C=C[C@H](C)CCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 2245053939 PCWNDYPMCRJKHO-ROUUACIJSA-N 309.453 5.128 30 10 DKEE CCC[C@]1(C)CSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277495003 HBOAMNPXDLCNBX-CQSZACIVSA-N 317.285 5.185 30 10 DKEE C=CCCCSC[C@@H](NCCC)c1ccc(F)c(Cl)c1 2287069040 AGKQFVHXCRDQPS-MRXNPFEDSA-N 315.885 5.219 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1cc2sccc2s1 2293269220 PTCQUBAHUCBYKX-CYBMUJFWSA-N 309.500 5.116 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1c(Cl)cccc1Cl 2293884936 OVTMTLSZTXFFNX-OAHLLOKOSA-N 316.272 5.146 30 10 DKEE CCCN[C@@H](C#Cc1ccccc1Cl)c1ccsc1Cl 2295215188 VCVCJCUICGHMLN-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE CC(C)C[C@H](CS)COCc1cccc(Cl)c1Cl 2328528153 NWXUQRAUXZULJR-NSHDSACASA-N 307.286 5.102 30 10 DKEE CCC(=NOCc1cc(Cl)ccc1F)c1ccc(CC)cc1 2330251253 DADXZBNHVGDQMY-UHFFFAOYSA-N 319.807 5.372 30 10 DKEE C[C@@H]1CCC[C@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2368178219 ZDZDEDIBGZMMGE-VXGBXAGGSA-N 300.311 5.140 30 10 DKEE CC[C@H](Nc1ccccc1C#N)c1ccc(Cl)cc1Cl 35624993 RYUAIJCBFVGGRT-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE CC[C@H](Nc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 37212077 PWKUDMOMQTTZHZ-INIZCTEOSA-N 305.208 5.428 30 10 DKEE CCCCCCCCOc1ccc([C@@H](C)NCCCC)cc1 100047543 QXGPOZBTFWKPAB-GOSISDBHSA-N 305.506 5.877 30 10 DKEE CCCCCCCCC[C@H](O)Cc1ccc(Cl)cc1Cl 109712918 QLDFHBGMHVADJL-INIZCTEOSA-N 317.300 6.038 30 10 DKEE C/C(=N/O)c1ccc(C)cc1OCc1ccc(Cl)cc1Cl 110962795 DMKOSXCQTRAQFW-ODLFYWEKSA-N 324.207 5.079 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1ccc(CC)s1 115856780 YXNKVJSETAUBOW-GOSISDBHSA-N 309.563 6.492 30 10 DKEE CCCCCCCCC[C@H](N)CSc1ccc(Cl)cc1 116836440 VCIBPMVJSRESFF-INIZCTEOSA-N 313.938 5.900 30 10 DKEE CCCCCCCOCc1cc(F)cc(Br)c1 124836024 VKCBREOXRWEFPR-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE C=C(CNc1c(Cl)cccc1C(F)(F)F)c1ccccc1 148011304 CSDTVPWKIUEKDL-UHFFFAOYSA-N 311.734 5.484 30 10 DKEE N#C[C@H](Nc1ccc(Br)cc1)C1CCCCCCC1 387630760 IRAJJXUTZBNMCS-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CC(C)(C)C#CCNc1ccc2cc(Br)ccc2c1 394042748 UHCHYLPSRJHDFT-UHFFFAOYSA-N 316.242 5.064 30 10 DKEE CCCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698869193 SAAWBAXHTKAHOZ-MRXNPFEDSA-N 308.466 5.029 30 10 DKEE CCCCCCCCNCC1(CCOCc2ccccc2)CC1 702951900 SSSZVZNXBOEURH-UHFFFAOYSA-N 317.517 5.324 30 10 DKEE C=C(C)CCOC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 709584731 UCYJFJODHOPAPW-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CCCCCCc1ccc(-c2csc(SCC#N)n2)cc1 1860816505 ILUBERFFEGBRGX-UHFFFAOYSA-N 316.495 5.549 30 10 DKEE CC1(C)OB(C=Cc2cccc(Oc3ccccc3)c2)OC1(C)C 1911757071 GDBFVMQGOUCWKD-UHFFFAOYSA-N 322.213 5.124 30 10 DKEE CCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O 1933230205 MEASLHGILYBXFO-UHFFFAOYSA-N 318.457 5.396 30 10 DKEE CCCCCCC[C@]1(N)CC[C@H](C)C[C@H]1OCc1ccccc1 1977490526 PBPQTSYQFCCIAK-TYPHKJRUSA-N 317.517 5.450 30 10 DKEE O=C1C(=CNc2ccccc2)[C@@H](c2ccccc2)c2ccccc21 2053535911 CTAWUMWLZOIMBV-NRFANRHFSA-N 311.384 5.011 30 10 DKEE CCCCC[C@H](CC)Nc1cccc(Br)c1C#N 2073286593 QIKOKLRWGQBWSX-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE CCCCCCCCC[C@H](O)C(=O)c1sccc1Cl 2090882693 UYZDDBZZMBUEPE-ZDUSSCGKSA-N 302.867 5.086 30 10 DKEE CCCC[C@](C)(C#N)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2108209512 ZYOQMJISDJJSLL-ZIAGYGMSSA-N 320.647 5.400 30 10 DKEE C=CC1(CN[C@H](C)c2cccc(Br)c2)CCCCC1 2132977489 NWONKYMXIMHEIC-CQSZACIVSA-N 322.290 5.236 30 10 DKEE CC[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 2143834963 BXKSGENOJIFKLH-XFBWCDHKSA-N 311.256 5.116 30 10 DKEE CCCCCCCCCCN[C@@H]1CC[C@H](P(C)(C)=O)C1 2160799479 AYFLASCZAVTFTP-SJORKVTESA-N 301.455 5.261 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cccc(Cl)c2Cl)CC1 2181666780 CBMJPAPFPKKOMJ-GFCCVEGCSA-N 311.252 5.949 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cccc(Cl)c1Cl 2203788428 YJCMFQNVILOKKI-MRXNPFEDSA-N 312.284 5.618 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cc(Cl)ccc1Cl 2206890295 FYMYMTRBMMQQHU-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE C=CCCCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2206893578 BESVUUDFOMEYBY-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1scc(Br)c1C 2213774112 YRWFYHFNELCMLO-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CCCCCCC[C@@H](N)c1sc(C)c(C)c1Br 2215909398 NZIZZNDRODFIID-GFCCVEGCSA-N 318.324 5.488 30 10 DKEE CCCC#C[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2218443425 NJLRPIVHDRMLDF-GFCCVEGCSA-N 304.648 5.101 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1ccc(Br)o1 2220083972 QXENITNVFINJJY-HNNXBMFYSA-N 314.267 5.133 30 10 DKEE C=CCCCCCCCNc1cc(Br)ccc1C 2220091566 HGDVJWGBCVFFFQ-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE C=C[C@H](CCCCC)OCc1ccc(Br)cc1F 2223243467 VKOHNGZRGUQTEZ-CQSZACIVSA-N 315.226 5.240 30 10 DKEE C[C@H](CC(=O)[C@H](C#N)c1cc(Cl)ccc1Cl)C(C)(C)C 2234053284 HRDVDOZZBFEEMT-ZWNOBZJWSA-N 312.240 5.242 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(C)c(Cl)cc1Cl 2277444772 IQTBEUOKULKGMF-ZDUSSCGKSA-N 302.289 6.463 30 10 DKEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1cc(Cl)cs1 2292732373 WYTXJKVFQMZPMR-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE CC(=O)C=C(C)Nc1cc2cc(-c3ccccc3)[nH]c2cc1C 2296650889 ZJCXYMPAZQIBED-UHFFFAOYSA-N 304.393 5.048 30 10 DKEE Cc1ccc(C(=O)C=CNc2cc(Cl)ccc2Cl)cc1C 2296876464 XZWJKJMYXSXTSL-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE O=C(C=CNc1cccc(Cl)c1)c1cccc2ccccc12 2297534740 PRPXRENHSPDSMX-UHFFFAOYSA-N 307.780 5.302 30 10 DKEE CC1CCC(CSc2c(Br)cccc2C#N)CC1 2313835082 AJTNBGYIHSLGOE-UHFFFAOYSA-N 324.287 5.239 30 10 DKEE Fc1ccc(C(=NOCc2cccc3ccccc23)C2CC2)cc1 2330316402 PXUZWQPAAGPGJM-UHFFFAOYSA-N 319.379 5.310 30 10 DKEE c1csc(C(=NOCc2cccc3ccccc23)C2CC2)c1 2330347282 OBIFTGLOFRDOSQ-UHFFFAOYSA-N 307.418 5.232 30 10 DKEE C=C([C@H](NCC)c1c(Cl)cc(C)cc1Cl)C(F)(F)F 2353057643 WPFQDQDVVMYWGQ-LBPRGKRZSA-N 312.162 5.071 30 10 DKEE C=CC[C@H]1CCC[C@@H]1n1c(S)nc2cc(C)c(Cl)cc21 2362301812 CLLDQDUXSHAJPJ-FZMZJTMJSA-N 306.862 5.204 30 10 DKEE C=CCC(CC=C)[C@@H](O)c1c(Cl)cccc1C(F)(F)F 2364086647 NAQOGSBCGSZIEE-CQSZACIVSA-N 304.739 5.161 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2F)C1 37154581 JFFDGWKPCGUGMN-CKEIUWERSA-N 305.462 5.662 30 10 DKEE C[C@H](Nc1ccc(Cl)cc1Cl)c1ccc(OCC#N)cc1 37196781 ALMJEVOGIKIZRU-NSHDSACASA-N 321.207 5.069 30 10 DKEE C=CCOc1ccc2ccccc2c1CN[C@@H]1CCC[C@H](C)C1 66117353 SRXLZTZSYUOBAW-FUHWJXTLSA-N 309.453 5.073 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2cccs2)c2ccccc12 83204522 NTCSIPOKPYUTFG-PKNBQFBNSA-N 308.402 5.196 30 10 DKEE CCCCCCCCNCc1ccc(-c2ccccc2Cl)o1 102556331 JGSMWNZSTPNTLX-UHFFFAOYSA-N 319.876 6.050 30 10 DKEE CCCCCCCCC[C@H](NC)c1c(F)cc(F)cc1F 115856320 NFQFZIWCZVDIRO-INIZCTEOSA-N 301.396 5.505 30 10 DKEE CCSc1cccc(Oc2cc(Cl)ccc2C)c1C#N 136721218 BKWYPRCVLDPKLU-UHFFFAOYSA-N 303.814 5.424 30 10 DKEE CCCCCCCCCCOC(=O)c1cccc(N)c1Cl 161345288 MDXYHOLHUQTAQN-UHFFFAOYSA-N 311.853 5.220 30 10 DKEE CCCCCCCCN(Cc1ccccc1)Cc1ccccc1 166316873 BIQNLPSGGSDKEY-UHFFFAOYSA-N 309.497 6.049 30 10 DKEE CCCC#CCCCCCCCCCCO[C@H]1CCCCO1 206989313 VACAUCGFNYHFHU-HXUWFJFHSA-N 308.506 5.844 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)cn2)C1 227472969 RZLXAHMCSQLYSE-GUTXKFCHSA-N 322.905 5.572 30 10 DKEE CCCCCCCNc1cc(F)c(Br)cc1F 232159292 ICHGOTUTUYCPRC-UHFFFAOYSA-N 306.194 5.110 30 10 DKEE CCCCCCCCCc1c[nH]c2c(Cl)cc(Cl)cc12 232957354 SLIIYZRULFVHOZ-UHFFFAOYSA-N 312.284 6.768 30 10 DKEE C=CCC[C@H](C)Nc1ccc(Br)c(Cl)c1Cl 235096915 WJUDNQSPFSFYQJ-QMMMGPOBSA-N 323.061 5.523 30 10 DKEE Clc1ccc(OC(=Nc2ccccc2)c2ccccc2)cc1 256446308 OHSJDOIJGRKCOU-UHFFFAOYSA-N 307.780 5.497 30 10 DKEE C=CCC(C)(C)COCc1cc(Cl)ccc1Br 383185706 QUYCUYBHIUHADX-UHFFFAOYSA-N 317.654 5.221 30 10 DKEE C=CCCC[C@H](C)N[C@H]1CCOc2c(Cl)cc(Cl)cc21 398053763 CFQDYXJMQITQRN-NHYWBVRUSA-N 314.256 5.151 30 10 DKEE N#C[C@@H]1CCCC[C@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404365402 RFOGYFQEIBAVNT-QPUJVOFHSA-N 303.620 5.141 30 10 DKEE N#Cc1cc(NCCC2CCCCCC2)ccc1Br 690201411 AOJYCFNJBRLZOM-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(F)c(Br)c3)C[C@@H](C1)C2 697304491 MASHCRUBBIZYTP-ONXXMXGDSA-N 324.237 5.135 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1ccc(Cl)c(Cl)c1 704005661 MFJMDEDAFIAMKE-GFCCVEGCSA-N 300.273 5.636 30 10 DKEE C=C1CCC(C[C@H](NCC)c2c(Cl)cccc2Cl)CC1 724614600 APYAHHYLKHWAGP-INIZCTEOSA-N 312.284 5.781 30 10 DKEE Cc1ccc(/C(=N/OCc2ccc(Cl)cc2)C2CC2)cc1C 821226043 AOPJRMLZWHIFLZ-XUTLUUPISA-N 313.828 5.288 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(F)cc(Cl)c1 1918507610 CCBYKLGIVIHRRJ-MRXNPFEDSA-N 300.849 5.124 30 10 DKEE CCCCCCCCCCCCNCc1csc(Cl)c1 1924585514 MPUVIZIFVRNDPX-UHFFFAOYSA-N 315.954 6.412 30 10 DKEE C=CCCCCN[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1935992937 IZWDOOWQQZRKCK-HNNXBMFYSA-N 318.461 5.041 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(Br)sc1C 1946701053 PCRIGSFUYJDDKJ-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CCCCCC[C@@H](N)c1sc(CC)cc1Br 1948984315 XXSVJFPUUGTFSP-CYBMUJFWSA-N 316.308 5.209 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@@](C)(C#N)C(C)(C)C 1975570882 MDGHEVWGQHQKSV-IBGZPJMESA-N 322.493 5.275 30 10 DKEE CCCCCCCCCN1CCC[C@H](OCc2ccccc2)C1 1990777723 BSHKZXCIZFIEGY-NRFANRHFSA-N 317.517 5.418 30 10 DKEE N#CCC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)s1 2069607624 HTSKCSYZMWVDNM-UHFFFAOYSA-N 303.386 5.178 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(F)ccc1Br 2085915427 FWKYLLRSSDSCFZ-OAHLLOKOSA-N 315.226 5.148 30 10 DKEE C[C@@H]1C[C@@](C#N)(CCc2cc(Cl)cc(Cl)c2)CCS1 2103457521 BYXGTBLFHOIMPI-IAQYHMDHSA-N 314.281 5.351 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(OC)c(Cl)c1Cl 2138622938 FIKPUQOWSIOLLS-GFCCVEGCSA-N 304.261 5.362 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccsc2C(F)(F)F)C1 2157654452 OEKQNJFVFIFXAO-BXUZGUMPSA-N 301.377 5.420 30 10 DKEE C=C([C@H](C[C@H](C(F)F)C(C)(C)C)NCCC)[Si](C)(C)C 2167708138 XASZRVOMIXLOTP-KGLIPLIRSA-N 305.529 5.106 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CCP(C)(C)=O 2177191880 VRFSMKSZJHOOCM-QGZVFWFLSA-N 303.471 5.638 30 10 DKEE CCCCC[C@H](CC)N(C)CC(CS)(CCC)CCC 2193696567 RIYHVMJUJYGIBN-KRWDZBQOSA-N 301.584 5.794 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1scc(Br)c1C 2213769640 ZBUZTYWGGBFROW-GXFFZTMASA-N 316.308 5.072 30 10 DKEE C=CCCCCCCCN1Cc2cccc(Br)c2C1 2227269824 BLYSOSZBNKBZIX-UHFFFAOYSA-N 322.290 5.291 30 10 DKEE C=CCCCCCCCC(=O)c1c(F)ccc(Cl)c1F 2235535454 PCTXTGVZDREGMG-UHFFFAOYSA-N 300.776 5.718 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1cccc(F)c1Cl 2240621240 FLVYBDXHPLHXAT-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE C=C(CC)C[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243558244 RCUTVMRRPLQVPT-QGZVFWFLSA-N 319.445 5.040 30 10 DKEE Cc1cccc(Cl)c1Nc1c(Br)cccc1C#N 2257482000 LWUBBZQJGIIOFF-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCSc1c([C@H](C)NCCC)ccc(Cl)c1F 2271493013 PWLWZTPFDXEFDL-NSHDSACASA-N 301.858 5.208 30 10 DKEE C=C(C)CCCC[C@H](O)c1cc(Cl)c(OC)cc1Cl 2271775518 JGOFOLPNKQRJQR-AWEZNQCLSA-N 303.229 5.172 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CC1CC(C)(C)C1 2283799762 PNOPCVLJGOLRCC-FQEVSTJZSA-N 301.540 5.610 30 10 DKEE C=CCCCCCCCSc1cccc(Cl)c1C(=O)O 2287079599 MVMIDXXEKGOKHK-UHFFFAOYSA-N 312.862 5.657 30 10 DKEE Cc1c(C[C@@]2(C#N)CCS[C@@H](C)C2)ccc(Cl)c1Cl 2338664003 BUMXFNMSWGXCDX-ZUZCIYMTSA-N 314.281 5.270 30 10 DKEE C=CCCCCC[C@](C)(N)c1ccc(Cl)c(C)c1Cl 2353130124 RQAZZHFQQYBCLP-INIZCTEOSA-N 300.273 5.612 30 10 DKEE CCC(C)(C)N(CCC#N)Cc1ccc(Cl)c(Cl)c1C 2364221781 ZFSPEHQNZOSHDG-UHFFFAOYSA-N 313.272 5.206 30 10 DKEE CCCCCCC[C@](C)(N)Cc1cc(F)c(Cl)cc1Cl 2377403820 UGVFJSPAWGPVQN-INIZCTEOSA-N 320.279 5.753 30 10 DKEE C=C1CCCC[C@@H]1N(Sc1ccccc1)C(=O)OC(C)(C)C 34533014 WFNSVMJXVVWTGC-INIZCTEOSA-N 319.470 5.430 30 10 DKEE CSc1ccc([C@H](C)Nc2ccc(C#N)c(Cl)c2)cc1 37393172 KRNGLWSXYXKWDI-NSHDSACASA-N 302.830 5.107 30 10 DKEE CCCOc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)c(C)c1C 83193461 LXMNIKJCKMIYMR-VAWYXSNFSA-N 322.448 5.605 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Sc1ccc(Cl)c(Cl)c1 88304094 FJUNYJHXLGFDCY-YGRLFVJLSA-N 300.254 5.558 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc2c(c1)OCO2 109440285 ARYHONJRRZBFPA-UHFFFAOYSA-N 319.445 5.275 30 10 DKEE CCCCCCCC[C@@H](O)Cc1cccc(Br)c1 109713134 XLIKZCALFWUHFU-MRXNPFEDSA-N 313.279 5.103 30 10 DKEE CC(C)(C)c1ccc(Sc2ccc(Cl)cc2C#N)cc1 110354160 UXGVPRSWLQWHKG-UHFFFAOYSA-N 301.842 5.660 30 10 DKEE CCCCCCC[C@H](CSc1ccc(Cl)cc1)NCC 117536112 ZJTIOIIXJPTTBL-MRXNPFEDSA-N 313.938 5.771 30 10 DKEE CCCCCCCC[C@H](CN)c1ccccc1Br 118865500 ZFEIENIETUZGDY-CQSZACIVSA-N 312.295 5.242 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc(F)ccc1Cl 127626593 FGVZHCHDJDZXQA-GOSISDBHSA-N 313.888 6.270 30 10 DKEE N#Cc1c(Cl)cccc1OCc1cc(Cl)ccc1Cl 128961987 IVFGVWSOVPEZAY-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE O=C(/C=C\c1ccccc1Cl)c1cc(Cl)ccc1Cl 212576609 NSPVYYOXLHKNCE-YVMONPNESA-N 311.595 5.543 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(Cl)cc(Br)c1 236549471 ZNYAMMVIPBPIEQ-CQSZACIVSA-N 317.654 5.272 30 10 DKEE N#CCCN1CCCc2cc(N=Nc3ccc(Cl)cc3)ccc21 254381658 YSPLCDYZGRNCNY-UHFFFAOYSA-N 324.815 5.422 30 10 DKEE N#Cc1c(Cl)cccc1Sc1cc(Cl)cc(Cl)c1 310867519 QDGFKGNRTMPULX-UHFFFAOYSA-N 314.624 5.670 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@@H](C)OCc1ccccc1 404355856 NZUSWSMOLYTCLB-QUCCMNQESA-N 303.490 5.096 30 10 DKEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)C1=CCCCCC1 405589184 COKQYCWGDWYZAH-UHFFFAOYSA-N 315.413 5.107 30 10 DKEE C[C@](C#N)(CC1CCCCC1)Nc1ccc(Br)cc1 689716247 YYLDQWGVQVMDKG-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE C=CC(C)(C)CCN[C@H](C)c1ccc(OCc2ccccc2)cc1 701918604 INDVMANTMDEZNX-GOSISDBHSA-N 323.480 5.519 30 10 DKEE CCCCCCCC[C@H](NC)c1c(F)ccc(F)c1Cl 705461093 INIRTQYTBPBGNF-AWEZNQCLSA-N 303.824 5.629 30 10 DKEE CCc1ccc(CC#N)c2sc(SC(F)(F)F)cc12 725303559 QOILJOFSYQOWDS-UHFFFAOYSA-N 301.358 5.142 30 10 DKEE CSc1cc(CC#N)c2cc(SC(F)(F)F)sc2c1 725318507 NCJFYFJLDLWBQM-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCCCCCCCCCNC(=O)c1cc(Cl)cs1 1871323782 UWIRYCMTVMNRFE-UHFFFAOYSA-N 301.883 5.272 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874597247 BJKBPSKJXQMWJO-BUHFOSPRSA-N 302.373 5.135 30 10 DKEE C#CC[C@@H](COc1ccc(Br)cc1C(C)C)C1CC1 1887075201 ZOCBQXOGMJMOFK-AWEZNQCLSA-N 321.258 5.001 30 10 DKEE CCC[C@@H](CS)CSCc1cccc(Br)c1 1902051649 XAIZDAQVSXODTG-LBPRGKRZSA-N 319.333 5.028 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](NCC)c1sccc1Cl 1921150648 ROAHHWYUPQCVPW-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE C=C(COCc1ccccc1)[C@@H](C[C@@H](CC)C(C)(C)C)NCC 1922116488 QSPBVWGBBAWWFG-WOJBJXKFSA-N 317.517 5.200 30 10 DKEE C=CC[C@H](CC)N[C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1935997144 DDNSJLRDRWLEAO-HOCLYGCPSA-N 318.461 5.039 30 10 DKEE CCCCCCC[C@H](N)c1c(C)sc(C)c1Br 1940495152 RCMQORVPXIAWNG-LBPRGKRZSA-N 318.324 5.488 30 10 DKEE C=CCCCCCC[C@@H](CCCOCc1ccccc1)NCC 1995172876 GYMKTSCVAHNJED-NRFANRHFSA-N 317.517 5.488 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1ccccc1OCc1ccccc1 1996468391 CKONBJYIBGORJF-GCJKJVERSA-N 323.480 5.519 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(Br)c(Cl)c1 2009481777 LNYLHCCZFUJREW-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCC[C@]1(C)Nc2cc(Br)ccc2O1 2027857444 JTQRXLPRUCRLIQ-OAHLLOKOSA-N 312.251 5.330 30 10 DKEE C=C(C)CN(C(=O)OCc1ccccc1)c1ccc(Cl)cc1 2081079626 WIHFVVAUPQOYAI-UHFFFAOYSA-N 315.800 5.059 30 10 DKEE C=CC1(C[C@H](NCC)c2cc(Br)ccc2C)CCC1 2111721884 WKQSWIAXLAJSBJ-INIZCTEOSA-N 322.290 5.155 30 10 DKEE CCCCC#CCC[C@H](NCC)c1cccc(Br)c1 2138982683 YTZLCWLMARWIMY-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CCCCCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NC 2192520760 YNGPFYUVQFVGBW-IRXDYDNUSA-N 303.471 5.507 30 10 DKEE C=C(c1ccccc1)[C@H](NCCC)c1cc(Cl)sc1C 2197147503 BKFWAXVGHGAMEH-KRWDZBQOSA-N 305.874 5.464 30 10 DKEE C#C[C@H](CC(C)C)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2226334732 IGEXGABMJNIRNC-WDEREUQCSA-N 318.675 5.345 30 10 DKEE Cc1cc(C)c(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)s1 2234289095 BRXHJFIEBVLDDH-JTQLQIEISA-N 324.232 5.162 30 10 DKEE C=CCCCCCCC[C@H](N)Cc1cccc(Cl)c1Cl 2235752388 AJJZMWZAKFFIBV-HNNXBMFYSA-N 314.300 5.780 30 10 DKEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(Cl)c(C#N)c2)c1 2237994371 FYDHPOGLPISAEE-LLVKDONJSA-N 305.208 5.347 30 10 DKEE Cc1cc(Br)ccc1S[C@@H]1CCCCC[C@@H]1C#N 2256883670 ZDTCKYIGNMYBBJ-IUODEOHRSA-N 324.287 5.322 30 10 DKEE CC[C@H](C)Oc1cc(C)c2c(c1)OC(=Cc1cccc(C)c1)C2=O 2324709228 NGXORLYWLYSWFU-HNNXBMFYSA-N 322.404 5.097 30 10 DKEE CC(=NOCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 2330454261 FARARYTWJJVQDR-UHFFFAOYSA-N 313.828 5.160 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Cl)c(Cl)c1OC 2370492085 RYFZNNCLAYYLJI-JKSUJKDBSA-N 316.272 5.255 30 10 DKEE Cc1ccc(C(F)(F)F)cc1Nc1cc(Cl)ccc1C#N 91480116 PWWJDBUOLXYAMS-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CC(C)(C)c1ccccc1OC[C@@H](CS)c1ccccc1 94582468 OIFDCVKNZAGFIV-INIZCTEOSA-N 300.467 5.077 30 10 DKEE CCCCCCCCNc1cccc(OCCCCCC)c1 100035618 FRFQHYRJGACIQM-UHFFFAOYSA-N 305.506 6.418 30 10 DKEE C=CCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(C)cc1 101051049 BCKWBWQGFMKKLZ-VZCXRCSSSA-N 324.424 5.083 30 10 DKEE CCCCCCCCn1c(C2CCCCC2)nc2ccccc21 101262970 KBMDKKLRETXMPK-UHFFFAOYSA-N 312.501 6.445 30 10 DKEE O=C1/C(=C\c2ccccc2Br)CC[C@@H]1C1CCCC1 104376376 AUZMOPKQJSJHMR-QKXCFHHRSA-N 319.242 5.002 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H]1Cc2ccccc2S1 140367047 RCSPPXSURSSWAI-HKUYNNGSSA-N 305.531 5.432 30 10 DKEE CCCCCC1CCC(C2CCC(C#N)(CCCO)CC2)CC1 196980855 QYTXBKXGOKHJCU-UHFFFAOYSA-N 319.533 5.846 30 10 DKEE CC[C@H](Nc1ccc(C#N)c(Br)c1)C1CCCCC1 228185615 RUGWSMGZAHRXAC-INIZCTEOSA-N 321.262 5.092 30 10 DKEE COc1ccc2c(c1)CCCC2=Nc1ccccc1C(F)(F)F 254614619 QLVSBOUXFHTQHA-UHFFFAOYSA-N 319.326 5.171 30 10 DKEE CCCCCCCCN(C)Cc1ccc(Br)cc1 404180440 XUBSNWNKAVAFFR-UHFFFAOYSA-N 312.295 5.241 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)(c2ncc(Cl)cc2Cl)C1 688340400 XYXCYYQXHQTUOW-UHFFFAOYSA-N 311.256 5.386 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1NCc1cc(Cl)sc1Cl 692278568 DGKXCANEUNVKBL-ZYHUDNBSSA-N 304.286 5.279 30 10 DKEE C#Cc1cccc(N[C@H](C)c2cc(Cl)cc(Cl)c2F)c1 692317341 GHYPBUIEWLKYAI-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE CSc1ccc([C@H](C)Nc2ccc(Cl)cc2C#N)cc1 695758163 PQDDJPRAMGRQTL-NSHDSACASA-N 302.830 5.107 30 10 DKEE C=C1CCC(C[C@H](O)c2ccccc2OCc2ccccc2)CC1 724571274 MWYSXLLTGMNRRC-NRFANRHFSA-N 322.448 5.436 30 10 DKEE N#CC/C=C/c1ccc(Sc2ccccc2)c(Cl)c1Cl 725412356 BNHGVVHRWUNCLB-GQCTYLIASA-N 320.244 6.071 30 10 DKEE CCN1/C(=N\c2ccc(/N=N/c3ccccc3)cc2)S[CH][C@H]1C 1615059514 AMFJZGGSHNWAPQ-HZQKBCGSSA-N 323.445 5.708 30 10 DKEE N#Cc1ccc(NC(=O)Nc2ccc(C3CCCCC3)cc2)cc1 1889814305 LDKTWGBJINHUHQ-UHFFFAOYSA-N 319.408 5.250 30 10 DKEE CCCCCCCCC[C@H](NN)c1cc(F)cc(Cl)c1 1918507609 CCBYKLGIVIHRRJ-INIZCTEOSA-N 300.849 5.124 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(Br)s1 2026019131 IIEPITWOTJHPPG-GFCCVEGCSA-N 316.308 5.298 30 10 DKEE C=C(C)[C@H](NC)c1ccc(-c2ccccc2Br)s1 2045755321 MPDLSIIIPQXEBP-HNNXBMFYSA-N 322.271 5.014 30 10 DKEE C=CCCCCCCNc1c(F)cc(F)cc1Br 2085849095 HSMZODAFIYDGEA-UHFFFAOYSA-N 318.205 5.276 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2099891004 SRCAKYPHWAVTFQ-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE CC[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccc(Cl)c(Cl)c1 2143834824 BJBKLHSHKSNPAZ-VBNZEHGJSA-N 311.256 5.116 30 10 DKEE CCCCCCCC(=O)[C@](C)(O)c1c(Cl)cccc1Cl 2147061000 OIJRMQQKWRVJAQ-INIZCTEOSA-N 317.256 5.131 30 10 DKEE CCCCCCCCCCC(=O)c1nn(C)c(Cl)c1Cl 2150742166 UYENKZUMPBOGKH-UHFFFAOYSA-N 319.276 5.440 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179258966 JQTNTIJSTGVGHU-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE N#C[C@@]1(Cc2ccsc2C(F)(F)F)CCCC(F)(F)C1 2184839263 CSUKSPMJXKSDND-LLVKDONJSA-N 309.303 5.029 30 10 DKEE COc1cc(Cl)cc(OCCCCCCCCCS)c1 2233996833 IUPPMQQDHZFCGK-UHFFFAOYSA-N 316.894 5.388 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cccc(Cl)c1Cl 2235522403 TZMHDMYIKWSXPU-MRXNPFEDSA-N 314.300 6.171 30 10 DKEE C=C(C)CCCC[C@H](O)c1cccc(NC(=O)OC(C)(C)C)c1 2244644492 NJNKLRPLKIARIA-KRWDZBQOSA-N 319.445 5.204 30 10 DKEE CCCCCCCCC[C@H](C)NCc1ncc(Cl)s1 2278229532 MSFWBRQIMSMHGM-ZDUSSCGKSA-N 302.915 5.415 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)C[C@H]1CC[C@@H](C)C1 2284000360 QKILHOPNBMWHKA-UWVAXJGDSA-N 301.540 5.610 30 10 DKEE O=C(C1=CCCCCCC1)c1cc(F)c(Cl)cc1Cl 2349910542 IVAQQAAUUODCGE-UHFFFAOYSA-N 301.188 5.596 30 10 DKEE C=CC[C@](C)(CC)[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2370526678 XCFGTZHZJDQUCO-SJORKVTESA-N 314.300 5.506 30 10 DKEE CC(C)(C)c1cc(/C=N/Nc2ccccc2)cc(C(C)(C)C)c1O 5379824 VFKQKJNSBAUCPK-HYARGMPZSA-N 324.468 5.433 30 10 DKEE CCC[C@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3o2)C1 37155634 YKRQANRUHQFEEC-WOSRLPQWSA-N 300.427 5.028 30 10 DKEE N#Cc1sc(-c2ccc(Cl)cc2)c(-c2ccccc2)c1N 44273988 YIEYAIJTNFSHRC-UHFFFAOYSA-N 310.809 5.189 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(SC(F)(F)F)cc1 115652852 XNOHHMSTQNFXHE-OAHLLOKOSA-N 320.420 6.083 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(F)c(Br)c1 126441879 FDZSCIPUWWOEIC-HNNXBMFYSA-N 316.258 5.339 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc2sccc2s1 159047101 XPLMHJICCBWTLA-CQSZACIVSA-N 309.544 6.364 30 10 DKEE CCCCCCCCCCNCCc1ccc(Cl)s1 226348357 FYRKTVSUTLRSMZ-UHFFFAOYSA-N 301.927 5.674 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1cc(Cl)ccc1F 231248115 NDXRETALNVUMEP-MRXNPFEDSA-N 300.845 5.523 30 10 DKEE CCCCCCCC(=O)c1c[nH]c2cc(Cl)cc(Cl)c12 232936344 FDFDGXCAGYMUOS-UHFFFAOYSA-N 312.240 6.018 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cccc(Cl)c1Cl 233124806 SGRQBSMHLCCHNE-INIZCTEOSA-N 314.300 6.171 30 10 DKEE CCc1ccccc1N=Cc1c2ccccc2cc2ccccc12 254520689 SHKPCTRIVADGRJ-UHFFFAOYSA-N 309.412 6.306 30 10 DKEE C=CCCCCCCN[C@H](C)c1cc(Cl)ccc1Cl 312062725 JEGJSGLISYJYRJ-CYBMUJFWSA-N 300.273 5.781 30 10 DKEE CCCCCCCC(=O)C[C@H](C)OC(=O)CCCCCCC 514287115 AWETTZFUYNYXQG-KRWDZBQOSA-N 312.494 5.598 30 10 DKEE N#Cc1ccc(Nc2ccc(SC(F)F)cc2)cc1Cl 690186169 ZNLMZWLJBMSVPO-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE CC(C)C(C)(C)CSc1ccc(C#N)cc1Br 718794391 YRTDZTBPCYTRNN-UHFFFAOYSA-N 312.276 5.095 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 722121123 VDVWBSWKPYYPEZ-CXAGYDPISA-N 310.268 6.036 30 10 DKEE CCN(CC)c1ccc(N=Cc2c(Cl)cccc2Cl)cc1 1084475131 LIXPIHHEPKQAGP-UHFFFAOYSA-N 321.251 5.590 30 10 DKEE Clc1ccc(C/N=C\c2nc3ccccc3s2)c(Cl)c1 1088681928 YMURHSSHPNKRTG-NVMNQCDNSA-N 321.232 5.222 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)c1cccs1 1918016463 CZHCPYDRZDDUGH-FQEVSTJZSA-N 315.548 6.075 30 10 DKEE C=C([C@H](NCC)c1c(Cl)cccc1Cl)[Si](C)(C)C 1922868997 MDXHEAQGALMQKQ-AWEZNQCLSA-N 302.321 5.078 30 10 DKEE C=C([C@@H](NC)c1ccc(Cl)cc1C(F)(F)F)[Si](C)(C)C 1923043254 CPAUXYZKPLIWQD-CYBMUJFWSA-N 321.846 5.053 30 10 DKEE C[C@H](CCS)CCN(Cc1ccccc1)CC1CCCC1 1931882464 UDYCCRSILUAXOZ-KRWDZBQOSA-N 305.531 5.025 30 10 DKEE C=CCC[C@H](C)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1936491861 YNLCPALKOQGIOC-GJZGRUSLSA-N 318.461 5.039 30 10 DKEE CC(C)(C)N(Cc1ccccc1)c1ccc(C#N)c2ccccc12 1946839357 NCICFQANTVHPLB-UHFFFAOYSA-N 314.432 5.517 30 10 DKEE CCCCCCC[C@@H](NC)c1sc(Br)cc1C 1950207308 FNQAYFXNPJWTCW-GFCCVEGCSA-N 318.324 5.440 30 10 DKEE C=CC1(CNCc2ccc(OCc3ccccc3)cc2)CCCC1 2015504234 SYKOCNBQQCYZBY-UHFFFAOYSA-N 321.464 5.102 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1cccc(C2CC2)c1 2070171133 XRNAPRXSAWQEGJ-OAHLLOKOSA-N 304.437 5.009 30 10 DKEE C=CC1(C[C@H](NC)c2cc(C)c(Br)c(C)c2)CCC1 2111716928 AYIVXUGNOWZETN-HNNXBMFYSA-N 322.290 5.073 30 10 DKEE CC1(C)CCC[C@]1(C#N)Cc1csc(-c2cccs2)n1 2149432096 YJVOJOHOEXJBIE-MRXNPFEDSA-N 302.468 5.134 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc2sc(C)cc2s1 2206898824 UMEMOQLHOKKPMV-CQSZACIVSA-N 307.528 6.058 30 10 DKEE C=CCCCCCC[C@@H](C[C@H](C)P(C)(C)=O)NCCC 2206901268 ASJCYINLWLLBNM-IRXDYDNUSA-N 301.455 5.283 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(Br)cc1CC 2221733411 USJXNRHURLXLDZ-INIZCTEOSA-N 310.279 5.018 30 10 DKEE C=CCCCCCCC[C@H](NC)c1c(Cl)cncc1Cl 2235523231 CRVZBMYUODMKQE-HNNXBMFYSA-N 315.288 5.566 30 10 DKEE C=C(C)CCCC[C@@H](N)c1sc(C)c(C)c1Br 2250167288 RFUGBPYKKKBVLF-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](N)c1cc(Cl)sc1Cl 2256698648 BXWFMLQRINTLQK-LLVKDONJSA-N 302.270 5.051 30 10 DKEE Cc1cc(Br)ccc1S[C@H]1CCCCC[C@@H]1C#N 2256883669 ZDTCKYIGNMYBBJ-DOMZBBRYSA-N 324.287 5.322 30 10 DKEE N#Cc1ccc(SC[C@H]2CCCCC2(F)F)c(Cl)c1 2267995000 FCFSGNGRQDGUKZ-LLVKDONJSA-N 301.789 5.129 30 10 DKEE C=C(C)CCCC[C@@H](Cc1cccc(Cl)c1Cl)NC 2271795724 ATTNTLZIKHHSGK-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE CCN[C@@H](CC#CC1CCCC1)c1scc(Cl)c1Cl 2274134282 ZZOGMTOIWHXSPY-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE CC1CC(CS)(CSc2nc(-c3ccccc3)cs2)C1 2280053730 BFKWJXAGMPOOHJ-UHFFFAOYSA-N 321.536 5.248 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2ccc(C(F)(F)F)s2)C1 2295010894 IOESWDBSDNXRIX-GFCCVEGCSA-N 303.393 5.164 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)cc(Cl)c1Cl 2321225479 QBFCAKOMJCPUMJ-UONOGXRCSA-N 307.648 5.673 30 10 DKEE C=C([C@H](NCC)c1c(Cl)cc(F)cc1Cl)[Si](C)(C)C 2340793647 GTKYELBIRZHQOC-AWEZNQCLSA-N 320.311 5.217 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(C)c(Br)cc1C 2344377015 RSQYABKCXGEERS-INIZCTEOSA-N 324.306 5.319 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1n1c(S)nc2cc(Cl)c(F)cc21 2362298593 MILXAHSEOFZKEB-RNCFNFMXSA-N 310.825 5.035 30 10 DKEE CCCN[C@H](C#Cc1cccs1)c1cc(Cl)ccc1Cl 2363537719 VXWQHILLJCCNFP-MRXNPFEDSA-N 324.276 5.147 30 10 DKEE C=CCCCCCC[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2366401423 NEGXSAITKMJAHI-OAHLLOKOSA-N 318.263 5.920 30 10 DKEE C=CC[C@@](C)(CC)[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2370526675 XCFGTZHZJDQUCO-DLBZAZTESA-N 314.300 5.506 30 10 DKEE CCCC1(CCC)CC(C#N)(c2c(Cl)cccc2Cl)C1 86541414 BMININWRGXDQRM-UHFFFAOYSA-N 310.268 6.135 30 10 DKEE N#Cc1ccc(Nc2nc3ccc(Cl)cc3s2)c(Cl)c1 110251559 JWJLPOPERGVWBF-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE CCCCCCCNc1ccc(Br)c2ccccc12 123078990 KYDJKRJLSHWGLN-UHFFFAOYSA-N 320.274 5.985 30 10 DKEE CCCCCCC[C@H](Cc1cc(Cl)ccc1OC)NCC 161999008 XMLUBRSDPACURH-QGZVFWFLSA-N 311.897 5.230 30 10 DKEE CCCCCCCCCC(=O)c1ccccc1C(F)(F)F 164697631 YXGSFHPGEYQNPA-UHFFFAOYSA-N 300.364 6.029 30 10 DKEE CCCCCCCC[C@@H](O)c1cccc(Br)c1C 168353905 TVBYGEXXEBTHCD-MRXNPFEDSA-N 313.279 5.542 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cccc(C)c2)C1 222881219 XGRHXMAZAABOOI-JZXOWHBKSA-N 301.499 5.832 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(Br)c(C)s1 227720484 HERYVTCNNQQMNY-CYBMUJFWSA-N 318.324 5.440 30 10 DKEE N#Cc1cc(Br)ccc1Sc1ccccc1Cl 229238531 QYBALRLRNVYSHG-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCC[C@H](N)[C@H]1CCC[C@@H](C(F)(F)F)C1 232311060 AAFWMOBQIZLDGT-XHSDSOJGSA-N 307.444 5.823 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc(Cl)sc1Cl 233164196 MOMZDOJHOVNKAV-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(Cl)cc1Cl 233544711 UHFUZYQOLSMVJQ-INIZCTEOSA-N 300.273 5.781 30 10 DKEE C=CCCCCC[C@H](Cc1cccc(Br)c1)NCC 233603106 LBWLBSVJAKMKLT-QGZVFWFLSA-N 324.306 5.106 30 10 DKEE CCOc1ccc(N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 255995757 PXHUEJKVEQLIQW-GKRQJNALSA-N 320.436 5.099 30 10 DKEE Cc1ccc(C#N)c(Nc2ccccc2OCc2ccccc2)c1 310473841 AKDCVBHFSQKPLP-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc(Cl)cc(Cl)c2)C1 382184636 MKPZLAQMCBQGRE-ZETOZRRWSA-N 314.281 5.804 30 10 DKEE CCCCCCCCCCNC[C@@H](C)N(C)Cc1ccccc1 390582792 KASMPASVAMTFGC-HXUWFJFHSA-N 318.549 5.237 30 10 DKEE CCCCCCCCNCc1c(F)cccc1Br 394939316 OQPOSHYMRZWDBT-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1ccc(Cl)cc1C(F)(F)F 695860176 SXBMUKKJDJZORN-SECBINFHSA-N 304.743 5.099 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)CCC1CCCCC1 698409557 VDHQIWMVWUDXAT-DOTOQJQBSA-N 322.493 5.275 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)CC1CC1 698867609 NXZIVUBORXWDKY-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCCCCCCCC[C@H](C#N)N(CC)C(=O)OC(C)(C)C 698939194 BUJXYXQCYCVBTQ-MRXNPFEDSA-N 310.482 5.276 30 10 DKEE CCCCCCCNc1nc(NCCC)c(Cl)cc1Cl 703782398 IWTLWTPQUFPOFL-UHFFFAOYSA-N 318.292 5.593 30 10 DKEE COc1ccc(N=Cc2cccc(OCc3ccccc3)c2)cc1 1084514944 CEDWOHVIHDQFAA-UHFFFAOYSA-N 317.388 5.025 30 10 DKEE C=C([C@@H](O)c1ccc(-c2ccccc2Cl)s1)[Si](C)(C)C 1922988731 LXTISHWXOSDVJW-MRXNPFEDSA-N 322.933 5.536 30 10 DKEE CCCCCCC[C@@H](O)c1scc(C)c1Br 1939882786 SVZDSBBYELJAKP-LLVKDONJSA-N 305.281 5.213 30 10 DKEE CCCCCCCN[C@@H]1CCCC[C@H]1OCc1ccccc1 1959246713 AZGSIXCNXYOZNO-WOJBJXKFSA-N 303.490 5.074 30 10 DKEE CC[C@@H](C(C)C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1988765849 XLQUMLFYXVXMOM-IRXDYDNUSA-N 322.493 5.131 30 10 DKEE CCCCCCCOCc1ccc(Cl)c(Br)c1 2001848431 XCZLTDPEHPDJLY-UHFFFAOYSA-N 319.670 5.590 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1cc(Br)cs1 2005585441 FROAXHWXNSEBSV-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCNc1cccc(Br)c1Cl 2026003624 PZFYTMNQOURLLC-UHFFFAOYSA-N 316.670 5.651 30 10 DKEE CCCCCCCCC=CCCCCCCCCCCCCO 2053487503 CFOQKXQWGLAKSK-UHFFFAOYSA-N 324.593 7.577 30 10 DKEE CC[C@H](c1ccc(C)c(C)c1)n1nc(-c2ccccc2)cc1C#N 2070125415 QMIUGDPOTMOKNB-OAQYLSRUSA-N 315.420 5.038 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1ccc(CC)cc1 2070135784 ZMGBAWHYSOIHNN-QFIPXVFZSA-N 320.480 5.474 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1cc2cccc(Br)c2o1 2102109795 BKEIFVMNYKAQHT-ABAIWWIYSA-N 322.246 5.058 30 10 DKEE CCC1CCC(C=O)(Cc2cscc2C(F)(F)F)CC1 2157199144 AAYHUKDJDKYQNA-UHFFFAOYSA-N 304.377 5.095 30 10 DKEE C=C1CCC(N[C@H](Cc2cccs2)c2cccs2)CC1 2157442453 GKRJMNAYTMHKAW-MRXNPFEDSA-N 303.496 5.182 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc2cscc2s1 2207409287 MMEKGCBPSLLPSG-HNNXBMFYSA-N 307.528 6.269 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1ccc(SC)s1 2207411343 CCNDYGHUDQXIRJ-OAHLLOKOSA-N 311.560 6.037 30 10 DKEE C=C(C)CCOCc1c(Br)sc2ccccc12 2213053907 PDMCTRFNPBXGDB-UHFFFAOYSA-N 311.244 5.147 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1ccc(Br)cc1 2227276342 QWMYSRQGEFCQMP-QGZVFWFLSA-N 324.306 5.540 30 10 DKEE CCc1ccc(C(=O)[C@@H](C#N)c2cc(Cl)ccc2Cl)s1 2234058224 QSNSVIBTRJDFDQ-LBPRGKRZSA-N 324.232 5.107 30 10 DKEE C=CCCCCCCCNCCc1ccc(Cl)c(Cl)c1 2235520217 XHONLOSYENKSPP-UHFFFAOYSA-N 314.300 5.652 30 10 DKEE CCCCCCCCCCCCOCC(=O)C1(Cl)CC1 2239499029 LLJYLBXTYWYVND-UHFFFAOYSA-N 302.886 5.264 30 10 DKEE CC[C@@H]1CCC[C@H](Nc2c(Br)cccc2C#N)CC1 2269699376 HMZRKLBNRGMKMD-OCCSQVGLSA-N 321.262 5.092 30 10 DKEE C=CCCCSC[C@@H](NCCC)c1c(F)cccc1Cl 2287078576 PPVIPGPWPGXEBM-OAHLLOKOSA-N 315.885 5.219 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc2c(ccc3ccccc32)c1 2295149755 LUJIHZCAANPPOD-UHFFFAOYSA-N 308.380 5.889 30 10 DKEE CCOc1ccc(C(=O)C=Cc2cccs2)cc1C(C)C 2295967819 XFBNZZUZAGDGHX-UHFFFAOYSA-N 300.423 5.166 30 10 DKEE CC(=NOCc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 2330462431 REZLCKOIXKBPBZ-UHFFFAOYSA-N 315.844 5.578 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cc(OC)c(Cl)s2)CCC1 2365807263 GUSLUWJOEODSRB-GFCCVEGCSA-N 313.894 5.197 30 10 DKEE C=C(C)COc1cccc2c1N[C@@H](c1cccs1)[C@@H]1CC=C[C@H]21 14548844 DRIZJZGZPHJSTL-AKCHCHLHSA-N 323.461 5.530 30 10 DKEE C=C(C)COc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 14551519 NDFLBHLWJXWLDO-BBTUJRGHSA-N 317.432 5.468 30 10 DKEE O=C1/C(=C/c2cccc3ccccc23)Oc2ccc(Cl)cc21 39842301 QTXAPCKWIIXIMZ-ZDLGFXPLSA-N 306.748 5.109 30 10 DKEE O=C(C1=Cc2ccc(-c3ccccc3)cc2OC1)c1ccccc1 96675428 DVAYEJDYUIVPSM-UHFFFAOYSA-N 312.368 5.012 30 10 DKEE CCCCCCCc1c(C)nn(C(=O)c2ccccc2C)c1C 100458353 HUHCDXCHMFXKFM-UHFFFAOYSA-N 312.457 5.010 30 10 DKEE Fc1ccc(N/N=C/c2c(Cl)ccc(Cl)c2Cl)cc1 169879162 DKLWFXKQWIEBHI-CNHKJKLMSA-N 317.578 5.232 30 10 DKEE N#Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1Cl 226057473 AXRWDMWOSPUUMD-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC(C)(C)CC1 698848906 CRMYLIACFORTGQ-IBGZPJMESA-N 322.493 5.132 30 10 DKEE C=CCC(CC=C)[C@H](N)c1cccc(OCc2ccccc2)c1 1901010698 NIQZDOKUWVFMCL-NRFANRHFSA-N 307.437 5.034 30 10 DKEE CCC[C@@H](C#N)[C@@H](O)c1ccc(-c2ccccc2Cl)s1 1921046092 QVTKYUYUISJNRR-MEDUHNTESA-N 305.830 5.042 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@](C)(C#N)C1(C)CCCCC1 1975574348 QEQJBQOFAHZEFI-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cscc1Br 2009493341 HWSGLLATGJFUOX-CQSZACIVSA-N 316.308 5.298 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(F)ccc1Br 2035579801 OQCYKGSCGQZXPG-OAHLLOKOSA-N 317.242 5.156 30 10 DKEE O=C(C=Cc1c(Cl)cccc1Cl)c1cc2ccccc2o1 2040458204 VUDLXJMJPLSTHT-UHFFFAOYSA-N 317.171 5.636 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(Br)co1 2049662942 SZEAKPZEKJROPP-CQSZACIVSA-N 316.283 5.443 30 10 DKEE CC(C)c1ccc([C@@H](C)n2nc(C(F)F)c(C#N)c2Cl)cc1 2079993928 ZGRDXVARHUOJGK-SNVBAGLBSA-N 323.774 5.078 30 10 DKEE Cc1ccc(C(F)(F)F)cc1-c1cc(Cl)c(C#N)s1 2080387764 KXBYPPHSDKJZPK-UHFFFAOYSA-N 301.720 5.267 30 10 DKEE CC1([C@](C)(C#N)Nc2cccc(Br)c2)CCCCC1 2101389784 MBJJJHBPBPAHMM-INIZCTEOSA-N 321.262 5.114 30 10 DKEE CCc1cscc1C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 2153583561 DRPCJQZTOQIMTG-LBPRGKRZSA-N 324.232 5.107 30 10 DKEE O=C(C1=CCCCC1)c1ccc(-c2cccc(Cl)c2)s1 2164069858 KWNKJIBQHMYBLT-UHFFFAOYSA-N 302.826 5.752 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1cc(Cl)ns1 2167199107 XUTWPRFDRVTCOY-CQSZACIVSA-N 316.942 6.107 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2cc3sccc3s2)C1 2205529417 MCIRPUYRSKXONL-LYRGGWFBSA-N 305.468 5.106 30 10 DKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)c1cc(Cl)cs1 2239458338 ZPWGQBGTWZGJJS-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE SCCCCCCCSc1cc(Cl)ccc1Cl 2252647740 RUWWTWITFDNIIY-UHFFFAOYSA-N 309.327 5.966 30 10 DKEE Cc1ccc(NC=CC(=O)c2ccc(C(C)C)cc2)cc1Cl 2296876055 SXHNNUNZKFBREE-UHFFFAOYSA-N 313.828 5.580 30 10 DKEE CCCCCCCCN(C)Cc1ccc(Cl)c(Cl)c1C 2364220843 UGLNXNRDUIBBMW-UHFFFAOYSA-N 316.316 6.094 30 10 DKEE C[C@@H](CC(C)(C)C#N)Oc1ccc(C(F)(F)F)cc1Cl 2366808071 QWARBAFLFUQMRB-VIFPVBQESA-N 305.727 5.066 30 10 DKEE CCCC[C@](C#Cc1ccccc1)(Cc1ccccc1)OCC 5309870 CXBSQYOOXMYLLB-QFIPXVFZSA-N 306.449 5.246 30 10 DKEE Cc1cc(C)c([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)c(C)c1 14457678 GXXJBJRRCBHLIQ-ZWCUEREDSA-N 314.432 5.310 30 10 DKEE CC1(C)CC(=O)C=C(c2ccc(Cl)c(C(F)(F)F)c2)C1 36389289 XBAVRFNTCDRAQO-UHFFFAOYSA-N 302.723 5.131 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 37937257 VZLBOXRBHMFJDC-CQSZACIVSA-N 310.706 5.036 30 10 DKEE CCCC(CS)(CCC)COc1ccc(F)c(Cl)c1 94585379 GSQPCHSHYFUHPX-UHFFFAOYSA-N 304.858 5.374 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccc(F)c(Cl)c1 109749246 URUZTAIAUDDALQ-SFHVURJKSA-N 313.888 6.270 30 10 DKEE CCCCCCC[C@@](C)(Nc1cccc(Cl)c1)C(=O)OC 110319162 VYCMGUPMBGKIQE-QGZVFWFLSA-N 311.853 5.044 30 10 DKEE CCCCCCCCCCCCNCc1cc(C)c(C)s1 115713689 KPASMCKAEQFIJU-UHFFFAOYSA-N 309.563 6.375 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1ccccc1Cl 115862126 QVOAXYHTTQHAER-GOSISDBHSA-N 310.909 6.164 30 10 DKEE CCCCCCCCCCCCS[C@H](C)CC(=O)OC 116781443 MNRGGIAFYBFUKT-MRXNPFEDSA-N 302.524 5.592 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1Cc2ccccc2S1 139531995 KZBGUKDHASMZLV-HKUYNNGSSA-N 305.531 5.432 30 10 DKEE Cc1ccc(Nc2ccc(Br)cc2C#N)c(Cl)c1 229166988 ZAXGVWABUVVXNH-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@H]1C[C@@H](NCC)c2cc(Cl)ccc2O1 229196207 LZZFSLSDTLMPBK-DOTOQJQBSA-N 309.881 5.502 30 10 DKEE Cc1ccc(-c2nc(NN=C[C@H]3CC=CCC3)sc2C)cc1 254393474 LVGAGUMUBFKURT-HNNXBMFYSA-N 311.454 5.181 30 10 DKEE N#Cc1ccc(F)c(CSc2cc(Cl)cc(Cl)c2)c1 312004641 QKBLLJOJDOUARV-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CCC(CC)C(=O)/C=C/c1ccc(NC(=O)OC(C)(C)C)cc1 405912533 HJNMRASCSSTVSF-JLHYYAGUSA-N 317.429 5.052 30 10 DKEE C[C@@H](CC1CCCCC1)Nc1ccc(Br)cc1C#N 689811160 WZLPNBMTOVIPDT-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CCCCCCCCNc1cccc(Br)c1Cl 690771493 WXMYNZLLFWHZHG-UHFFFAOYSA-N 318.686 5.875 30 10 DKEE C=CCCSc1nc(-c2ccc(OC(C)C)cc2)cs1 1860804705 YFCATIYFSBJKPI-UHFFFAOYSA-N 305.468 5.266 30 10 DKEE C=CCC(CC=C)c1ccc(Cl)c(Br)c1F 1901009321 IPCZGHNWAHYFSW-UHFFFAOYSA-N 303.602 5.477 30 10 DKEE CCCCCCCC[C@@]1(N)C[C@@H](CC)N(Cc2ccccc2)C1 1920208563 UVNLUPZVTUACQE-NHCUHLMSSA-N 316.533 5.119 30 10 DKEE O=C[C@]1(CCc2cc(Cl)cc(Cl)c2)CCCC12CCC2 1921611125 CBWKJVWXUXPAAR-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE C=CC1(Cc2c(Cl)ccc(Br)c2F)CCC1 1984189088 GIRANEQNFXWEDD-UHFFFAOYSA-N 303.602 5.140 30 10 DKEE C=CCCCCCCCC[C@@H](CCOCc1ccccc1)NC 1995326688 ASEZPWYTICICHY-NRFANRHFSA-N 317.517 5.488 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Br)c(C)s1 2000364291 GIFPETDWUKHLBY-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cccc(Br)c2)CC1 2100880944 CIGRLELRNCYGOP-QGZVFWFLSA-N 320.274 5.492 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1c(Cl)cccc1Cl 2173629853 QRZHPZLMLCVGSW-GOEBONIOSA-N 312.240 5.137 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ncccc1Cl 2176550833 PSORAVHUBRMGAD-LBPRGKRZSA-N 304.846 5.186 30 10 DKEE C=CC1(C[C@H](N)c2ccc(C(F)(F)F)cc2Cl)CCC1 2179258440 DOPQMCCPRFTCEZ-ZDUSSCGKSA-N 303.755 5.105 30 10 DKEE CCCCCCCC[C@H](NCCC)C1(P(C)(C)=O)CC1 2204447895 WEDMTEYJDNLDQO-INIZCTEOSA-N 301.455 5.261 30 10 DKEE CCCCCCCC[C@H](C)NCC1(Br)CCC1 2217312349 DYHSPJFDIWYCPQ-AWEZNQCLSA-N 304.316 5.033 30 10 DKEE CCCCCCCC[C@@H](C)Nc1c(Cl)cccc1Cl 2231923013 IMLUUGINMYWBPM-CYBMUJFWSA-N 302.289 6.544 30 10 DKEE C=CCCCCCCC[S@@](=N)(=O)Cc1ccccc1Cl 2235769826 XZJCYCDTERCKOL-HXUWFJFHSA-N 313.894 5.413 30 10 DKEE C=C(C)CCCC[C@H](NC)c1scc(Br)c1C 2250164132 QYQUTKKRPBXBGZ-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CCCCCCCC(=O)c1cc(OC)c(Br)s1 2252972806 HADDQQYSFYPRDC-UHFFFAOYSA-N 319.264 5.062 30 10 DKEE C=C(C)CCCCc1cc(Br)cc(C(C)(C)C)c1 2260200358 SHEGILKQQYJLBO-UHFFFAOYSA-N 309.291 6.036 30 10 DKEE C=CCCCC[C@@H](NCCC)c1csc(Cl)c1OC 2268914023 IOYRUIPIXDWYBK-CYBMUJFWSA-N 301.883 5.197 30 10 DKEE CC(C)CCC[C@@H](C)CCOCC1(CS)CCCCC1 2284876554 WSQGFLNURROFRN-QGZVFWFLSA-N 300.552 5.736 30 10 DKEE Cc1cccn2c(N=Nc3cccc(C#N)c3)c(C(C)C)nc12 2320768022 UCNSYSXFZVFFLI-UHFFFAOYSA-N 303.369 5.053 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cccc(Br)c1 2321097889 GANOGMBYRDRJMP-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE COc1ccc2ccccc2c1C=CC(=O)c1ccc(F)c(F)c1 2322781463 ONSHCODCZCKREC-UHFFFAOYSA-N 324.326 5.023 30 10 DKEE N#Cc1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 14463771 MYQORDGLFQMFFD-JMUQELJHSA-N 322.411 5.538 30 10 DKEE CCC[C@@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37154007 QMBSJXPXPRBNOB-DVOMOZLQSA-N 316.495 5.497 30 10 DKEE Cc1ccc(N/N=C/c2ccc(OC(C)(C)C)cc2)cc1Cl 82253000 OKMTVZCVJIBFOL-UDWIEESQSA-N 316.832 5.272 30 10 DKEE CCCCCCCCO[C@H](c1ccc(Cl)s1)[C@@H](C)N 109988678 YGISDMBMXBYXOE-DOMZBBRYSA-N 303.899 5.167 30 10 DKEE CCCCCCCCCCC[C@H](O)[C@@H](CN)c1cccs1 115863075 QFHWURMPJGUIBS-SJORKVTESA-N 311.535 5.072 30 10 DKEE CCCCCCCCCCCC(=O)c1sccc1Cl 126584566 UOHSQORPEGQNNY-UHFFFAOYSA-N 300.895 6.505 30 10 DKEE COc1ccc(C#N)cc1CSc1ccc(Cl)c(Cl)c1 130995758 YMLSANJOLREBSI-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccc(Cl)cc1OC 229274922 DVKKABJGPWGZNA-QGZVFWFLSA-N 312.881 5.913 30 10 DKEE C=CCCCCC[C@H](Cc1c(Cl)cccc1Cl)NCC 233602869 LYAVWVGIIFQOKJ-CQSZACIVSA-N 314.300 5.651 30 10 DKEE N#Cc1cccc(OCCSc2ccc(Cl)cc2Cl)c1 322519427 LHPNBJYWDPMVIC-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE C#C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 394519082 SPJCLNKCPBFBSY-SJCJKPOMSA-N 304.220 5.019 30 10 DKEE N#Cc1c(Cl)cccc1NCc1ccc(Cl)c(Cl)c1 689267445 SIKAUMLEJUJXAU-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE Fc1ccc(SC(F)(F)F)c2c(C(F)(F)F)csc12 725305028 KHRRQFDXPOAYPA-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC12CCC2 1921631888 CGWGPHDEFPKEEB-CXAGYDPISA-N 318.258 5.417 30 10 DKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C=C2CCCCC2)cc1 1983515833 YTVPXPXCQKIMEQ-UHFFFAOYSA-N 315.413 5.107 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Br)c(C)s1 2000364840 KWECHBZMBFWJBQ-QMTHXVAHSA-N 316.308 5.072 30 10 DKEE C#CC[C@H](CNc1ccc(OCc2ccccc2)cc1C)C1CC1 2020095242 XJJYWMFCONGICR-HXUWFJFHSA-N 319.448 5.035 30 10 DKEE N[C@@H](CC#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2037455299 HLJMDDZMNBESIX-LBPRGKRZSA-N 302.270 5.029 30 10 DKEE N#CC1(Cc2snc(Cl)c2Cl)CCCCCCC1 2048352830 WZAWGSLPJRMVDB-UHFFFAOYSA-N 303.258 5.247 30 10 DKEE C#CC(C)(C)C[C@H](NCCC)c1scc(Cl)c1Cl 2048690266 OFQSHTIYHBJCSP-NSHDSACASA-N 304.286 5.145 30 10 DKEE CCCCCC#CC[C@@H](NCC)c1cc(Cl)sc1Cl 2139002976 QZKFUQNKJWKPCK-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE C=CCCCCCCCCCN1CCC(Cl)=C(Cl)C1 2142393764 UGHBUOUENFTKFA-UHFFFAOYSA-N 304.305 5.688 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1c(F)ccc(F)c1Cl 2164225856 BAIOMTVEEHHTJR-BZNIZROVSA-N 301.808 5.261 30 10 DKEE C=C([C@@H](C[C@@H](C(F)F)C(C)(C)C)NCCC)[Si](C)(C)C 2167708139 XASZRVOMIXLOTP-UONOGXRCSA-N 305.529 5.106 30 10 DKEE C[C@@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203976204 MYKSUHKJVFANBF-HZMBPMFUSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCNc1c(Cl)cccc1C(F)(F)F 2206897237 AMBPVYYEQCXQDB-UHFFFAOYSA-N 305.771 5.907 30 10 DKEE CCCN[C@H](C#CC(C)(C)C)c1cc2sc(C)cc2s1 2233783827 XPAIHGGPCDPAEI-CYBMUJFWSA-N 305.512 5.361 30 10 DKEE C=CC1(C[C@@H](Cc2cc(Cl)ccc2Cl)NCC)CCC1 2234035576 LFGBRIPUJXJACR-OAHLLOKOSA-N 312.284 5.260 30 10 DKEE C=CCC[C@@H](C)c1cc(Br)cc(OC(F)(F)F)c1 2260198790 SXXVHQJTRCIWFK-SECBINFHSA-N 323.152 5.417 30 10 DKEE CC(C)CCCCCOCc1ccc(Br)cc1C#N 2269434994 UHHXJVKLLOHQTL-UHFFFAOYSA-N 324.262 5.054 30 10 DKEE C=CCCCCCCCSCCNCCc1ccsc1 2287068041 GPLQDXQGIWCYNJ-UHFFFAOYSA-N 311.560 5.140 30 10 DKEE CCCCOc1ccc(C=C2Sc3ccccc3C2=O)cc1 2294346963 RUYBZYJLMHUCCU-UHFFFAOYSA-N 310.418 5.195 30 10 DKEE CCCCCCCCC[C@](C)(O)C(=O)c1ccsc1Cl 2295597407 VESRSYQNKABHBC-INIZCTEOSA-N 316.894 5.476 30 10 DKEE CC(C)c1ccc(C(=O)C=Cc2cn(C)c3ccccc23)cc1 2295967835 AXIYHUOUXJMACO-UHFFFAOYSA-N 303.405 5.198 30 10 DKEE C=C(C)CN(CCCCc1ccc(OC)cc1)Cc1ccccc1 2303900180 IGAQKRIGXZKRLH-UHFFFAOYSA-N 323.480 5.096 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1sccc1Br 2304050630 ZRPHKCHHGIJNQL-CYBMUJFWSA-N 316.308 5.154 30 10 DKEE CC1CCC(CSc2cccc(Br)c2C#N)CC1 2313835211 CAKIQRBWKHRPSQ-UHFFFAOYSA-N 324.287 5.239 30 10 DKEE CCOc1ccc(C(CC)=NOCc2ccccc2Cl)cc1 2330267467 UKXMUPSUYFGLMV-UHFFFAOYSA-N 317.816 5.070 30 10 DKEE C=C(C)CCCC[C@H](NC)c1c(Cl)cc(C)cc1Cl 2353050562 JMWDPFGQUXGWKX-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE CSc1cc(Oc2cccc(Cl)c2Cl)ccc1C#N 2353834663 OLZUAKSOMYAGKN-UHFFFAOYSA-N 310.205 5.379 30 10 DKEE C=CC[C@H](CCCc1cc(Cl)cc(Cl)c1)CNC(C)C 2366905602 DTWATPZBZFTPDV-CQSZACIVSA-N 314.300 5.506 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1sccc1C)N2 14456038 RDFUTLUEYRFDJM-FRQCXROJSA-N 323.461 5.448 30 10 DKEE N#C[C@H](C(=O)CCC1CCCC1)c1c(Cl)cccc1Cl 37344031 QLWRIOPYRYRSJZ-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl 37344118 QMRQXAODSLRSHU-NSHDSACASA-N 324.594 5.137 30 10 DKEE C[C@H](N[C@@H]1CCCCC[C@@H]1C#N)c1ccc(Cl)cc1Cl 54823839 UOHSKFPKPXURTI-HWWQOWPSSA-N 311.256 5.116 30 10 DKEE CCCCCCCCCCCC[C@@H](CCC)c1ccccc1 60263033 MSKJVRDVAADPNK-OAQYLSRUSA-N 302.546 7.881 30 10 DKEE C=CC[C@@H](Sc1nc2cc(C)c(C)cc2[nH]1)c1ccccc1 72262893 LRNJGYVMSGZNKC-GOSISDBHSA-N 308.450 5.589 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2c(C)ccc3ccccc23)c1 83204367 MRMOEQWFCGETSB-WYMLVPIESA-N 316.400 5.443 30 10 DKEE N#CC1(c2ccccc2Br)CC2(CCCCCC2)C1 86543332 OKEVFVDLFIWTLV-UHFFFAOYSA-N 318.258 5.345 30 10 DKEE Cc1ccc(N/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1 110346280 SEHZKAOWSBIPFX-LTGZKZEYSA-N 313.400 5.331 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)C1 218442276 RYHQZJQESFSUND-XFBWCDHKSA-N 312.240 5.137 30 10 DKEE COc1cccc(S[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1 222246514 UQGMWYPVHRHKJK-CPUCHLNUSA-N 303.471 5.142 30 10 DKEE CCCCCCC[C@@H](NC)c1c(F)cccc1Br 229082706 UXWNMBIPJXOHOB-CQSZACIVSA-N 316.258 5.209 30 10 DKEE N#Cc1ccc(OCCCCCCCCCS)cc1Cl 312800115 IRKPRWFKHHHIBA-UHFFFAOYSA-N 311.878 5.251 30 10 DKEE C=CCCCCCCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 383692465 YUZPYVHFSOXERY-LBPRGKRZSA-N 318.263 5.920 30 10 DKEE CSc1cccc(NCc2ccc(Cl)c(Cl)c2)c1C#N 689262140 NSOSIBNJFAJOAY-UHFFFAOYSA-N 323.248 5.199 30 10 DKEE CC[C@@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698419364 MWAUMTHYJJDXAJ-DNVCBOLYSA-N 316.445 5.065 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@]1(C#N)CCCc2ccccc21 719641406 YUDYOTAJIDTWOX-GCJKJVERSA-N 319.448 5.027 30 10 DKEE C=C1CCC(CN[C@@H](CC)c2ccc(Cl)cc2Cl)CC1 724451306 JXBNSUNDFWIWRE-KRWDZBQOSA-N 312.284 5.781 30 10 DKEE C=C1CCC(CNc2ccc(OCc3ccccc3)cc2)CC1 724571923 YGOVXXVMUNMNDJ-UHFFFAOYSA-N 307.437 5.424 30 10 DKEE N#Cc1sc2cccc(SC(F)(F)F)c2c1C(F)F 725291423 OUCPVFMFASZGSX-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(Cl)cc1)CS2 725411211 DASOTOFIBVJVQC-UKTHLTGXSA-N 300.810 5.020 30 10 DKEE CC(=O)/C=C\c1ccc(OCc2cccc3ccccc23)cc1 1082519272 UTKYVVLZTXCILW-KTKRTIGZSA-N 302.373 5.021 30 10 DKEE N#Cc1c(F)c(F)c(-c2ccc(Cl)c(Cl)c2)c(F)c1F 1848377335 YWXLRCKQMYHQMX-UHFFFAOYSA-N 320.072 5.088 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)CC1(CS)CC(C)(C)C1 1892895393 DEBOOODUDBOUGL-MRXNPFEDSA-N 305.531 5.023 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1cccc(OCc2ccccc2)c1 1899885634 VMMHPAWEXFSQKL-UTKZUKDTSA-N 309.453 5.128 30 10 DKEE C=CCC[C@H](C)[C@@](C)(O)c1ccc(OCc2ccccc2)cc1 1975903402 UYZAJALIGVWODD-LAUBAEHRSA-N 310.437 5.075 30 10 DKEE C=CCCCC[C@H](NCCC)C1CC(OCc2ccccc2)C1 1984519810 RXFYWDDRIQWQSN-CBNMVNINSA-N 315.501 5.096 30 10 DKEE CC#CCCC[C@H](NCC)c1ccccc1OCc1ccccc1 2018329042 DRHDFISXPKGCRQ-NRFANRHFSA-N 321.464 5.110 30 10 DKEE CC1(C)CC[C@@H]([C@@H](C#N)Sc2cccc(Br)c2)C1 2037681031 CJOMGFIEMKLIGW-BXUZGUMPSA-N 324.287 5.260 30 10 DKEE C=C[C@@H](NCC)c1ccc(-c2ccc(Br)cc2)s1 2045710075 OOOYZAKFDYIIMQ-CYBMUJFWSA-N 322.271 5.014 30 10 DKEE N#C[C@]1(Cc2cccc(Br)c2Cl)CCC12CCC2 2047959886 USGCYVMCOOPBCN-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE C#Cc1cccc(OCC2CCCCC2)c1OCc1ccccc1 2049395196 YDFWOQSDWJYCCR-UHFFFAOYSA-N 320.432 5.206 30 10 DKEE CCCCCC#CC[C@H](NC)c1cc(Cl)sc1Cl 2083442767 NLCVNCMKEFNZBV-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE C=CCCCCCC[C@](C)(O)c1ccc(Br)cc1 2085917792 UDPIETANKWYHLH-INIZCTEOSA-N 311.263 5.183 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(C)c(Br)c(C)c2)CC1 2125222948 LASMKIKPBBOMPA-CYBMUJFWSA-N 321.258 5.385 30 10 DKEE C#CC1(CN[C@H](C)c2ccc(Cl)c(Cl)c2Cl)CCC1 2125912613 SYESRIDGRLAQON-SNVBAGLBSA-N 316.659 5.101 30 10 DKEE C=C([C@@H](NCCC)c1ccc(C(C)(C)C)s1)[Si](C)(C)C 2164205439 IFKXMJCXWVIZTC-MRXNPFEDSA-N 309.595 5.520 30 10 DKEE C=CC1(C[C@@H](CSc2ccc(Cl)cc2)NCC)CCC1 2168024081 QVNXBUFYPUXJAJ-HNNXBMFYSA-N 309.906 5.157 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179259685 QKNFMLBKIXBBOP-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)Cc2c(Cl)cccc2Cl)CC1 2181669516 OWXFDPHFFMUEBV-LBPRGKRZSA-N 311.252 5.488 30 10 DKEE CCCN[C@@H](C)c1ccc(-c2ccc(Cl)c(C#N)c2)s1 2197931570 JSRGODPMVANVMJ-NSHDSACASA-N 304.846 5.001 30 10 DKEE Cc1ccc(N[C@H](C)c2c(Cl)cccc2Cl)cc1C#N 2199334352 HWCYIQCRJWXPDY-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CC1 2212659910 JEBAIIHBQJIZRI-LJQANCHMSA-N 322.493 5.419 30 10 DKEE C=CCCCCCCCOc1c(Cl)cc(Cl)cc1CO 2235535373 OGDUEOYOQDYRTN-UHFFFAOYSA-N 317.256 5.391 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cscc1C(F)F 2235541676 KIKMCOLDOCSAOP-AWEZNQCLSA-N 302.434 5.107 30 10 DKEE CCCCCCCCCCCCOCc1csc(Cl)n1 2239489337 ICELXYFZZABPJN-UHFFFAOYSA-N 317.926 6.234 30 10 DKEE CCCCCCCC[C@](C)(O)[C@H](NC)c1cscc1Cl 2240642208 JVROWEOVSIZBGL-CVEARBPZSA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)c(F)c(Cl)c1 2240653511 HKPNZGGECXCWAT-LBPRGKRZSA-N 320.279 6.684 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(Br)c(F)cc1C 2258105382 OQZYECWTPDWNAS-OAHLLOKOSA-N 314.242 5.033 30 10 DKEE C=C[C@@H](CCCCC)OCc1c(F)cccc1Br 2261000923 VTXZOGXGFIRQKF-LBPRGKRZSA-N 315.226 5.240 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(N)c1cccc(Cl)c1Cl 2284092249 XMICUNYYBCKDTQ-QGZVFWFLSA-N 310.268 5.163 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)C#Cc1cccc(Cl)c1 2286480410 GPQLFVWSMBJZFX-UHFFFAOYSA-N 323.606 5.190 30 10 DKEE C=CCCCCCCCSc1nc(C)c(CNCC)s1 2287075232 LWYHRBOIOBCEMG-UHFFFAOYSA-N 312.548 5.180 30 10 DKEE CCCN[C@H](C#CC1CCCCC1)c1cc(Cl)sc1C 2289617087 QHPGRIIKLQUGHF-MRXNPFEDSA-N 309.906 5.334 30 10 DKEE C=CCCCCCC[C@@H](OCC(=O)O)c1cc(Cl)cs1 2292416682 GSZFJRYDOXNRLL-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1sc(C)c(Br)c1C 2304046310 PDRDLHVKAVGSAL-KBPBESRZSA-N 316.308 5.120 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2335202005 YMFUWJVWWXJIPT-IAQYHMDHSA-N 318.313 5.342 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3o2)C1 37155632 YKRQANRUHQFEEC-XJKCOSOUSA-N 300.427 5.028 30 10 DKEE C=CCCC[C@H](NCCC)c1cccc(C(F)(F)F)c1F 94601402 PLFVIGJDMQDHDZ-AWEZNQCLSA-N 303.343 5.242 30 10 DKEE CCCCCCCCC[C@@H](O)c1ccc(Br)cc1 112884967 BKGUYCONVAOLKN-MRXNPFEDSA-N 313.279 5.623 30 10 DKEE Cc1ccc(Oc2cc(C#N)cc(Cl)n2)c(C(C)(C)C)c1 122553140 IOCLUDGVIORSPO-UHFFFAOYSA-N 300.789 5.005 30 10 DKEE CCCCCCCCCC[C@@H](Cc1ccc(Cl)cc1)NN 125483007 MVKLPYUVNZLVIW-SFHVURJKSA-N 310.913 5.245 30 10 DKEE CSc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1 195794275 PMMVATHNVZDUJA-WTKPLQERSA-N 323.244 5.611 30 10 DKEE CC[C@H](Nc1ccc(C#N)cc1Br)C1CCCCC1 213362782 XNJOMVBLRHPWQA-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE Cc1ccc(Cl)c(Oc2ccc(C#N)c(Br)c2)c1 228201277 TVKRBGUUQKGEDE-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(Br)c(C(F)(F)F)c1 228819173 BYOZTTDUKWCKNE-SECBINFHSA-N 322.168 5.235 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(Cl)cc1Br 233106355 WDVWFVRSGDOJKO-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Br)cs1 233543095 HZZSSUGEPCQEEL-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE C=CCCCCC[C@@H](NC)c1cc(C)cc(Br)c1 234456703 PIVWOCUKLSONOW-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE Cc1cccc(CS[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)c1 251066945 MXJYCLZMENEKCI-OKZBNKHCSA-N 301.499 5.583 30 10 DKEE COc1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1 254378847 LTNJYWIBNCTNJZ-UHFFFAOYSA-N 311.384 5.752 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccccc1OCc1ccccc1 383514725 MAHJYIDQDFGRPR-NRFANRHFSA-N 323.480 5.663 30 10 DKEE C=CCCC[C@@H](C)NCc1c(Cl)ccc(Cl)c1Cl 398182855 OVDSCBMSVRDTIP-SNVBAGLBSA-N 306.664 5.481 30 10 DKEE CCCCCCC[C@H](NCCC)[C@@H](C)OCc1ccccc1 404373702 XLTRDBYYNZKSFY-QUCCMNQESA-N 305.506 5.320 30 10 DKEE CC(C)[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698873409 JQGMNMBDOBIDED-RDJZCZTQSA-N 322.493 5.131 30 10 DKEE CCCCCCCCOc1cc(Br)ccc1OC 700835095 JTKWNTIPASYHMK-UHFFFAOYSA-N 315.251 5.197 30 10 DKEE CC(C)C[C@H](C)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 710782867 KTSFFVXISGPZTB-RDJZCZTQSA-N 316.445 5.002 30 10 DKEE C=C[C@@]1(C)C=C2CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1 1076447939 MHVJRKBZMUDEEV-PRHYDEJPSA-N 302.458 5.206 30 10 DKEE CC(C)(C)c1ccc(N=Cc2cccn2-c2ccccc2)cc1 1084540902 PLGARUCBSNNDJT-UHFFFAOYSA-N 302.421 5.525 30 10 DKEE C=CCC[C@@H](C)N[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1258717854 WHWJSHGOMLTKAV-HUUCEWRRSA-N 318.461 5.039 30 10 DKEE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1CC#N 1866214971 UAPBIGLISRWZDE-UHFFFAOYSA-N 320.436 5.252 30 10 DKEE CCc1cc(Br)ccc1OCCCCC(C)(C)C#N 1890611169 CBYFYKRDYMYANY-UHFFFAOYSA-N 324.262 5.110 30 10 DKEE CCCCCCCCC[S@](=N)(=O)c1cc(F)ccc1F 1917852468 NNKUDOVMXMORSC-FQEVSTJZSA-N 303.418 5.121 30 10 DKEE CCCCCCCCC[C@H](O)c1sc(N(C)C)nc1Cl 1920024152 PDPNFBXBVAORHU-LBPRGKRZSA-N 318.914 5.037 30 10 DKEE CCCCCCCCC[C@@H](N)c1csnc1Br 1925232445 OXRDCERZMBMMPP-GFCCVEGCSA-N 319.312 5.046 30 10 DKEE C=CCCCCCC[C@@H](N)c1cscc1Br 1995178462 UUXOSKDRAJZFQH-CYBMUJFWSA-N 302.281 5.037 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc([C@H](C)NCCC)cc1 2013173928 KKVRZCYWTSJFEG-IBGZPJMESA-N 322.496 5.330 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)c(Cl)s1 2037456813 QHAHDGHEAVWOJZ-JTQLQIEISA-N 317.628 5.385 30 10 DKEE O=C1C(=Cc2ccc(-c3ccccc3)cc2)CCc2ccccc21 2053504798 JVAMMZBJUMLXEZ-UHFFFAOYSA-N 310.396 5.566 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cccc(Br)c2)CC1 2061193919 CQFSKLDNCWFBDM-LBPRGKRZSA-N 307.231 5.014 30 10 DKEE C=CCCCCCCOCc1ccc(F)cc1Br 2085848882 FUUSSIUBHAAXCC-UHFFFAOYSA-N 315.226 5.241 30 10 DKEE C=CCCCCCCNc1cc(F)c(Br)cc1F 2085850013 QPAYEXZZCPQHSC-UHFFFAOYSA-N 318.205 5.276 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc(Cl)cs1 2102394069 IVDGYVHIZKQLND-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE C=C(Cl)C[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2107917404 QTOYHDAUWVFGOE-ZDUSSCGKSA-N 312.265 5.472 30 10 DKEE C=CCC[C@@H](C)C[C@H](NCCC)c1ccccc1Br 2113420104 OVYIKSBDCYHEIE-PBHICJAKSA-N 324.306 5.482 30 10 DKEE CCC[C@@H](C(=O)[C@H](C#N)c1c(Cl)cccc1Cl)C(C)C 2144873458 NXEJKUPTCPFLON-VXGBXAGGSA-N 312.240 5.242 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](Cc1cccs1)c1cccs1 2152863592 FDEVETTWKBBUDU-ZBFHGGJFSA-N 305.512 5.428 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ncc(C(F)F)s1 2154775341 PHODODRZHVQGSM-GFCCVEGCSA-N 304.450 5.482 30 10 DKEE C=CCC[C@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2164104021 FAJCSCXTFUQEEE-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CCCN[C@H](CCC#C[Si](C)(C)C)c1cccc(Cl)c1 2187476084 IAVLULUFRFSWTQ-QGZVFWFLSA-N 307.941 5.042 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1ncc(Cl)s1 2207410210 QHGBRSZZBIUMRG-CQSZACIVSA-N 314.926 5.754 30 10 DKEE CCCCCCCC[C@@](C)(CN)N(Cc1ccccc1)C(C)C 2212637787 FRSFZHYYVXBHSG-NRFANRHFSA-N 318.549 5.365 30 10 DKEE CCCCCCCCCOc1nc(C)ccc1Br 2223241273 MLWRCBQKCGVIPI-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE CCCCCCCCC(=O)C#Cc1ccccc1Br 2227495196 HBEIFYIWQOWWAK-UHFFFAOYSA-N 321.258 5.120 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Cl)c(F)cc1OC 2234398145 QYXORFYPXYFLAJ-MRXNPFEDSA-N 301.833 5.022 30 10 DKEE C=CCCCCCCCC(=O)c1csc(C(F)(F)F)n1 2235526575 MKNSAHXHMJKWSC-UHFFFAOYSA-N 305.365 5.261 30 10 DKEE Cc1cc(Cl)cc([C@@H](C)Nc2ccc(C#N)c(Cl)c2)c1 2237994891 JJDCTUNWSIQWHL-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@@](C)(N)Cc1c(Cl)cccc1Cl 2240611333 IXQYTOSUGCJUKV-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE C=C(C)CCCCC(=O)c1sc(Br)c(C)c1C 2250144400 BPANZSQZMVFPAN-UHFFFAOYSA-N 315.276 5.447 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccc(C)cc1Br 2259236451 CDJWQCFLSAHZHX-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C=CCCC[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273125743 RZZMCFFZXODJHA-MRXNPFEDSA-N 324.306 5.363 30 10 DKEE CCCN[C@H](C#CC1CCCCC1)c1cc(C)c(Cl)s1 2289771926 CBNFKLQQSCFXES-OAHLLOKOSA-N 309.906 5.334 30 10 DKEE C=CCC[C@H](C)Oc1c(Cl)cc(C[C@H](N)CC)cc1Cl 2296271445 FSUSDRWOBGLOPY-WCQYABFASA-N 316.272 5.007 30 10 DKEE CCCCCCCCC=CCCCCCCCCOCCO 2296557562 KWVPFECTOKLOBL-UHFFFAOYSA-N 312.538 6.033 30 10 DKEE CCOc1c(C=CC(=O)c2ccc(C(C)C)cc2)cccc1OC 2322738126 QZEFYZAYIJEENI-UHFFFAOYSA-N 324.420 5.113 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340803899 ATRDONUSOROISN-BONVTDFDSA-N 304.236 5.385 30 10 DKEE C=C(C)CC[C@H](C)N[C@H](C)c1ccc(Cl)c(C)c1Cl 2353067407 XYQLRXPFMAWNMD-WCQYABFASA-N 300.273 5.697 30 10 DKEE C=CCCCCCCCSc1ccc(C)c(Cl)c1CO 2360542260 LJOUXMXPSVVJFY-UHFFFAOYSA-N 312.906 5.759 30 10 DKEE N#Cc1ccc(F)c(CSc2cc(Cl)ccc2Cl)c1 20024327 VMGHSTXTCPQXLC-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CCOc1c(-c2csc(CC#N)n2)cc(Cl)cc1C(C)C 76541305 PBLZJAUCTWKOHW-UHFFFAOYSA-N 320.845 5.052 30 10 DKEE CC(C)(C)c1ccc(-c2c(C#N)c(S)nc3c2CCCC3)cc1 96586896 DATSVERVZOXTLP-UHFFFAOYSA-N 322.477 5.085 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccc(F)cc1Cl 109744256 FHPWSNFDBPCHJX-GOSISDBHSA-N 313.888 6.270 30 10 DKEE CCCCCCCCCCSc1c(F)cc(N)cc1F 109966929 SGHYOHQFALUSCG-UHFFFAOYSA-N 301.446 5.780 30 10 DKEE C=C(Cl)COc1c([C@H](C)NCCC)ccc2ccccc12 110094178 KWESIVDEYMRKPB-AWEZNQCLSA-N 303.833 5.032 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Cl)c2ccccc12 127288103 TUPWVPSVDNQIFM-LJQANCHMSA-N 303.877 6.114 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)c(OC)cc1Cl 166824896 CCYHCBNDSBTZIJ-CQSZACIVSA-N 304.261 5.362 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(Cl)c(F)c1 215111210 JBOCGDJGDQVENT-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1sccc1Cl 229969663 WJWGEKRBTLZPMX-OAHLLOKOSA-N 316.942 5.827 30 10 DKEE C(#Cc1cccc2ccccc12)c1ccc(-c2ccccn2)s1 253588500 FWUQQYFQFRBPKO-UHFFFAOYSA-N 311.409 5.363 30 10 DKEE CCCCCCCCCC(=O)c1ccc(C(F)(F)F)s1 395035077 ZCPQBHGJTAKPKY-UHFFFAOYSA-N 306.393 6.090 30 10 DKEE Clc1ccc(Oc2ccc(N=Cc3cccs3)cc2)cc1 1083931809 CSZLWKRECOCNRP-UHFFFAOYSA-N 313.809 5.944 30 10 DKEE FC(F)(F)c1cccc(C#Cc2c(Cl)cccc2Cl)c1 1614730895 OIWLSMBHJBCQJX-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE CC(C)C[C@H](CS)CN(Cc1ccccc1)[C@@H](C)C(C)C 1893839709 QPUMIXAWDIPHKT-HKUYNNGSSA-N 307.547 5.125 30 10 DKEE CSc1cc(N(Cc2ccccc2)CC2CCC2)ccc1C#N 1905529215 KLHZJADUMAHRHU-UHFFFAOYSA-N 322.477 5.087 30 10 DKEE N#Cc1c(Cl)cccc1N(Cc1ccccc1)Cc1ccco1 1915089970 GDJYQOWPHSMIHZ-UHFFFAOYSA-N 322.795 5.011 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(C)c(Br)o1 1917583906 CZSQZRYCCSTUNM-ZDUSSCGKSA-N 316.283 5.491 30 10 DKEE CCCCCCCC[C@@]1(N)CCc2c(Br)cccc21 1920443797 HRQLIVODGBASRH-QGZVFWFLSA-N 324.306 5.300 30 10 DKEE C=CCCCCCCCC[C@@]1(N)CC[C@H]1OCc1ccccc1 1995326505 YTCUPBBBKQYULT-NHCUHLMSSA-N 315.501 5.370 30 10 DKEE C=CCCCCCCCC[C@]1(N)CC[C@H]1OCc1ccccc1 1995326506 YTCUPBBBKQYULT-RTWAWAEBSA-N 315.501 5.370 30 10 DKEE C=C(C)CC[C@@H](NC)c1cc(Cl)c(C)c(Br)c1 2002242187 LMTJOJKLIBSNPT-CQSZACIVSA-N 316.670 5.028 30 10 DKEE CC1(C)CC(C)(C)CC(C=O)(CCC=CBr)C1 2004040570 MNKYGUUMSONHBX-UHFFFAOYSA-N 301.268 5.097 30 10 DKEE CCCCC#CCNc1cc(Cl)c(C)cc1Br 2024343855 BWYZBGMJFOWXPL-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE CCC1CCC(C#N)(Cc2csc(Br)c2)CC1 2024823189 GGKUBPRHRLYLTP-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE O=C(C1=C[C@H]2CC[C@H]1C2)c1c(Cl)ccc(Cl)c1Cl 2081596736 JTGRZDWRGSWZOH-YUMQZZPRSA-N 301.600 5.186 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1cc(Br)ccc1C 2082466504 ORMOFHUFKSFYMI-LRDDRELGSA-N 310.279 5.010 30 10 DKEE CCN[C@H](CC#CC1CC1)c1c(Cl)ccc(Cl)c1Cl 2107877455 CQMMJMUSRXGYGW-CYBMUJFWSA-N 316.659 5.101 30 10 DKEE C=CC1(C[C@@H](NCCC)c2cccc(Br)c2)CCC1 2111719384 NIBMFEGZSLFGKB-MRXNPFEDSA-N 322.290 5.236 30 10 DKEE CCCCCCCOc1nc(Cl)c([C@@H](C)NCCC)s1 2155318652 CBHZWTCKXKBYBS-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE Cc1scc(CN(C)CCCCCCCCCS)c1C 2157229378 OLIJABBBBGWNAI-UHFFFAOYSA-N 313.576 5.457 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(C(F)(F)F)cs2)C1 2168541517 QFVFWWMUJLCBFB-AWEZNQCLSA-N 301.377 5.420 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(F)cc1F 2179377648 XZDCGYNLPFMPSF-INIZCTEOSA-N 304.808 5.792 30 10 DKEE C#CC[C@H](CN[C@@H](CC)c1ccc(Cl)c(Cl)c1)C1CC1 2196811963 RCFLAIOVUVUVPJ-PBHICJAKSA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCOc1cc(Br)ccc1C#N 2227276843 UMRJQFMEOROTRS-UHFFFAOYSA-N 322.246 5.226 30 10 DKEE C=CCCCCCCCC(=O)Cc1ccccc1Br 2227278760 CFGPGORCVHRSOR-UHFFFAOYSA-N 323.274 5.477 30 10 DKEE CCc1cscc1C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234054270 QYZZMNZXGIVJKZ-GFCCVEGCSA-N 324.232 5.107 30 10 DKEE FC(F)(F)[C@@H]1CCC[C@@H](OCC2(CS)CCCCC2)C1 2239947178 CXDUFQZJBZUNIF-CHWSQXEVSA-N 310.425 5.004 30 10 DKEE CCCC[C@](C#N)(CC)Cc1c(F)cccc1Br 2260961260 FRFHBIQPPNEQEL-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE CCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)cc1C 2269344345 DLUOBMQXTCMTTE-OAHLLOKOSA-N 303.277 5.167 30 10 DKEE C=C(C)CCCCNc1ccc2cc(Br)ccc2c1 2271836585 IJJTWYFICHFPNQ-UHFFFAOYSA-N 318.258 5.761 30 10 DKEE CCCCCCCCCCCCNCCCSC(F)F 2279096484 PLRLWDJYHLHVFR-UHFFFAOYSA-N 309.510 5.843 30 10 DKEE C=CCCCCCCCCNc1cc(Cl)c(Cl)cc1C 2281487194 GHHAGOQAYHUDIW-UHFFFAOYSA-N 314.300 6.630 30 10 DKEE C=CCCCSC[C@H](NCCC)c1cc(C)cc(Cl)c1 2287072817 OBDNQPZGDSQIBC-KRWDZBQOSA-N 311.922 5.389 30 10 DKEE Cc1cc(C)cc(NC=CC(=O)c2ccc(Cl)cc2Cl)c1 2293601522 GREUPZNJQARSOG-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE O=C(C(=CO)N=Nc1cccc(C(F)(F)F)c1)c1ccccc1 2333272791 HBKROKXYGMPENL-UHFFFAOYSA-N 320.270 5.071 30 10 DKEE CCCC#C[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366805483 HHQUGXBMPXWPQD-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE CC[C@H]1CC[C@@](C=O)(CCCc2cc(Cl)cc(Cl)c2)C1 2366848002 HRNKTQFYNJZUBK-GUYCJALGSA-N 313.268 5.712 30 10 DKEE Cc1cnc2c(c1)/C(=N/c1cccc3ccccc13)c1ccccc1-2 13511815 WTDZHRKHZOXZGY-WJTDDFOZSA-N 320.395 5.693 30 10 DKEE C[C@H](Nc1cccc(OCC#N)c1)c1ccc(Cl)c(Cl)c1 37069595 RAUBYWZPJPOJMW-NSHDSACASA-N 321.207 5.069 30 10 DKEE Cc1cc(Oc2cccc(Cl)c2C#N)c(C(C)C)cc1N 87465592 VTEILVLOCGTDCO-UHFFFAOYSA-N 300.789 5.018 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2cc(Cl)cs2)CC1 93097294 AYTLTXLBXNVETO-WMEQCIOUSA-N 311.878 5.181 30 10 DKEE CCCCCCCOc1c(N)cc(Br)cc1Cl 100146870 CHGNURGGFKRZOC-UHFFFAOYSA-N 320.658 5.034 30 10 DKEE CCCCCCCCCCSc1cccc([C@H](C)NC)c1 113916913 CPGKJSYDHABFGB-KRWDZBQOSA-N 307.547 6.200 30 10 DKEE CCCCCCCCCCCCS[C@@H](C(=O)O)C(C)C 125968572 IADYQLBZFCAKJD-MRXNPFEDSA-N 302.524 5.750 30 10 DKEE N#Cc1cc(F)ccc1N[C@H](c1cccs1)C1CCCC1 126320308 MTKNCPNIQAINKT-KRWDZBQOSA-N 300.402 5.102 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(C)cc1Cl 128200571 WZVMKKNNPSZIBF-UHFFFAOYSA-N 302.289 6.464 30 10 DKEE N#Cc1ccc(CNc2ccccc2SC(F)F)c(Cl)c1 162577567 ZAPQICISFRYZEK-UHFFFAOYSA-N 324.783 5.138 30 10 DKEE CCCc1ccc(Nc2cccc(Br)c2C#N)cc1 168473364 IIUYTRWPSCSTSE-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE CCCCC[C@@H](NCc1ccc(OCC#N)cc1)c1ccccc1 180557677 ULVAYCQBSMGHPK-OAQYLSRUSA-N 322.452 5.000 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Br)nc1C 232934033 IPQKMQWPEYMIMI-GFCCVEGCSA-N 313.283 5.313 30 10 DKEE CCCCCCCCCCCC(=NO)c1ccc(CC)cc1 254838600 QBWBCYGNVVJFQP-UHFFFAOYSA-N 303.490 6.348 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(O)cc1C 315602930 BGSIEYDHBOJWLQ-UHFFFAOYSA-N 305.462 5.560 30 10 DKEE O=C1CCCC=C1c1cc(Cl)c(Cl)c(Cl)c1Cl 405102619 VVHQSQAWELKPIX-UHFFFAOYSA-N 310.007 5.437 30 10 DKEE Cc1ccc(NN=Cc2cccc(Oc3ccccc3)c2)cc1 606346848 WWGMRCSTYJFJHZ-UHFFFAOYSA-N 302.377 5.233 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)[C@H]1CCCC[C@H]1CC 698419952 QSTNYBSSUJKZOR-YVSFHVDLSA-N 322.493 5.131 30 10 DKEE CC[C@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698876647 UHZNPJZIIXBNJH-HNAYVOBHSA-N 322.493 5.275 30 10 DKEE CCCCCCCNc1ccc(OC(F)(F)F)cc1Cl 699701924 OWBXBULMABSRSB-UHFFFAOYSA-N 309.759 5.621 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(Br)c(F)c2)C1 721909123 FMOHAILNXDXLQZ-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cccc(Br)c2C)CC1 724601905 HPOHQELGYSLYHW-QGZVFWFLSA-N 322.290 5.155 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@@H](CC(C)C)C(C)C 1922072201 RXQSYLWGWXIPHR-LEWJYISDSA-N 317.517 5.056 30 10 DKEE C=CCCCCC[C@H](N)c1sc(CC)cc1Br 1948984316 XXSVJFPUUGTFSP-ZDUSSCGKSA-N 316.308 5.209 30 10 DKEE C=C(F)C[C@H](NCCC)c1ccccc1OCc1ccccc1 1985704214 BSCIIQGNZWZFKT-IBGZPJMESA-N 313.416 5.180 30 10 DKEE C=CCCC[C@@H](Cc1cc(Br)ccc1C)NCCC 2116485498 CWTIHRQBJUODSE-KRWDZBQOSA-N 324.306 5.025 30 10 DKEE Cc1cc(Cl)cc(Cl)c1Nc1ccc(C#N)cc1Cl 2136384259 NTLTVICVPLNUBR-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCCCCCCSCC1(C(=O)O)CC1 2151162072 QZDFSNMZHQACCD-UHFFFAOYSA-N 300.508 5.505 30 10 DKEE C=CCCC[C@H](C)NCc1ccc(C(F)(F)F)c(Cl)c1 2164695177 SZLOHZDEOMUUIT-NSHDSACASA-N 305.771 5.193 30 10 DKEE C=CCCCCCCNc1cc(Cl)cc(C(F)(F)F)c1 2206898699 IMZKXYWBZRHPTH-UHFFFAOYSA-N 305.771 5.907 30 10 DKEE C=CCCCCCCCCC[C@](C)(O)c1ccc(Cl)s1 2207410797 RWCYGGINWMWJSL-KRWDZBQOSA-N 314.922 6.306 30 10 DKEE CCC[C@H](CS)CSc1nc(-c2ccccc2)cs1 2225898820 VCEKTOMLLPMTBR-GFCCVEGCSA-N 309.525 5.248 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cccc(Cl)c1Cl 2227270858 IKTXDEHFMKINAB-OAHLLOKOSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCCN(C)Cc1cccc(Br)c1 2227277237 XIWDNSKMTUXGNL-UHFFFAOYSA-N 324.306 5.408 30 10 DKEE C=CCCCCCCCCOc1cc(Cl)nc(SC)n1 2234056100 HFQAJYSUZYDQEU-UHFFFAOYSA-N 314.882 5.147 30 10 DKEE CC(C)[C@H](C)N(CCCCCCCS)Cc1ccccc1 2242389678 BLGGUIZYSSXZQZ-SFHVURJKSA-N 307.547 5.413 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1ccc(Cl)s1 2276498435 WYZYIYQRXPOUMC-CYBMUJFWSA-N 303.899 5.169 30 10 DKEE CCCOc1ccc(C)cc1C(=O)C=Cc1cccc(OCC)c1 2295967901 IQUJXNDIOREQTN-UHFFFAOYSA-N 324.420 5.079 30 10 DKEE CCCCCCCOc1c(Cl)cc(CNCC)cc1Cl 2296258836 AZWJWQLJSITEGK-UHFFFAOYSA-N 318.288 5.452 30 10 DKEE O=C1C(=Cc2ccc(Cl)cc2Cl)CCc2ccccc21 2297451745 KIPPRWZRZJOSEN-UHFFFAOYSA-N 303.188 5.206 30 10 DKEE CCC[C@@H](CS)COCc1ccc(Cl)c(Cl)c1C 2317241364 SUFOZBXTHCROES-LLVKDONJSA-N 307.286 5.165 30 10 DKEE CCN[C@@H](C#Cc1cccs1)c1cc(Cl)c(Cl)cc1C 2363545114 AZVSADMIHDXING-INIZCTEOSA-N 324.276 5.066 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)CCCc1cc(Cl)cc(Cl)c1 2370601393 CQIINYQXKYHMDQ-IAGOWNOFSA-N 315.284 5.669 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cc(C(F)(F)F)ccc1Cl 2370608221 RZMTZSUNQYTCTH-ZIAGYGMSSA-N 306.755 5.385 30 10 DKEE CCCCCC/C=C/CCCCCCCc1cc(O)cc(O)c1 43552700 TUGAUFMQYWZJAB-BQYQJAHWSA-N 318.501 6.508 30 10 DKEE endogenous,in-man Cc1cc(C)c(C[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(C)c1 57760700 WCWFXOWWHLFLCM-LJQANCHMSA-N 305.465 5.759 30 10 DKEE Cc1ccc(Cn2c(Cl)c(C#N)c3cc(C)cc(C)c32)cc1 71465707 LZBJRJSAEOMNHO-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE FC(F)(F)/C(Cl)=N\c1ccc(OCc2ccccc2)cc1 100350358 PBOFYVXABUFIMT-XSFVSMFZSA-N 313.706 5.097 30 10 DKEE CCCCCCCCCCc1ccc([C@H](N)C(F)(F)F)cc1 103550450 KFRIXKUGXCOYEP-KRWDZBQOSA-N 315.423 5.932 30 10 DKEE CCCCCCCCNc1cc(Cl)ccc1-n1cccn1 109904886 ABWOPMPHQUTVLO-UHFFFAOYSA-N 305.853 5.298 30 10 DKEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 110323677 YWFGHMXJAUTPTK-AAEUAGOBSA-N 312.240 5.386 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1ccccc1Cl 115858345 SGXAGNRQRLMDOR-SFHVURJKSA-N 309.925 6.131 30 10 DKEE CCCCCCCCOC(=O)c1cc(Cl)c(N)c(Cl)c1 126487744 HVNSUYJUQVNIPW-UHFFFAOYSA-N 318.244 5.093 30 10 DKEE CCCCCCCC[C@H](NCC)c1c(Cl)cccc1Cl 158939087 CGBHTJDOMZVOBT-INIZCTEOSA-N 316.316 6.395 30 10 DKEE CCCCCCCC(=O)c1cccc(Br)c1Cl 164718031 JLMAYMTXBJTWHE-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE N#Cc1cccc(/C=C\c2nc3c(ccc4ccccc43)s2)c1 208305108 WZVZYPSQZUXURI-FLIBITNWSA-N 312.397 5.492 30 10 DKEE Cc1ccc(Cl)cc1Nc1ccc(C#N)c(Br)c1 228176838 RWZJFJJTDFEOCE-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@@H](NCC)c1cscc1C(F)(F)F 312941177 HZFBFOCQQNSGSG-CQSZACIVSA-N 307.425 5.778 30 10 DKEE CCCCCCCCOc1cc(F)c([N+](=O)[O-])cc1Cl 380220256 JCAZTORLAUXILW-UHFFFAOYSA-N 303.761 5.127 30 10 DKEE Fc1ccc(-c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 514260654 RTEHMURGPYMHQS-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCC[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468662 KDOCCOOLNQYZPG-NVXWUHKLSA-N 316.445 5.065 30 10 DKEE C[C@H]1c2sccc2CCN1CCCCCCCCCS 711841898 HLAICBISPRNYHB-HNNXBMFYSA-N 311.560 5.328 30 10 DKEE C=CC[C@@H](C)c1c(O)c(Cl)cc(Br)c1Cl 715708822 ISBYEPZKYYOPKJ-ZCFIWIBFSA-N 310.018 5.141 30 10 DKEE CCCC1CCC(C#N)(C[C@@H](C)COCc2ccccc2)CC1 719633251 JRYZYYOQTNTRTF-LWEYNCJUSA-N 313.485 5.730 30 10 DKEE COc1ccc2ccccc2c1/C=C/C(=O)c1cccc(Cl)c1 1874577620 XIYCSVASCSZUFS-ZHACJKMWSA-N 322.791 5.398 30 10 DKEE CCCCCCCCN(C)Cc1c(Cl)cncc1Cl 1887042602 ZRJUKKXRGBCCFZ-UHFFFAOYSA-N 303.277 5.181 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)CC(C)(C)O 1915374412 VAHVZOKPBFPUAR-UHFFFAOYSA-N 319.533 5.400 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(Br)o1 1919984115 PBFCOECAICPZKK-AWEZNQCLSA-N 303.240 5.000 30 10 DKEE Cc1cc(C(=O)C=Cc2sccc2C)ccc1Br 1951313161 NXGNDWFPCDZTJN-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccsc1Br 1995168817 JDKJJPNNOPLNSC-GFCCVEGCSA-N 302.281 5.037 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cccc(C)c1CNCCC 2020023167 DQXXHQILRVYIEH-UHFFFAOYSA-N 322.496 5.077 30 10 DKEE C=CCCCCCC[C@@H](NC)c1sccc1Br 2026012749 QDJZRWBTJZCSQI-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C=CCCCCCC[C@@H](O)c1cccc(OCc2ccccc2)c1 2026065301 UAMISIPYNLBQGO-JOCHJYFZSA-N 324.464 5.826 30 10 DKEE C=C(C)C[C@@H](N)c1ccc(-c2ccc(Br)cc2)s1 2045617490 HEFIACRMGDAUFP-CYBMUJFWSA-N 322.271 5.144 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cccc(F)c1Br 2045997923 OFDHOJPLAIYIEP-HNNXBMFYSA-N 312.226 5.241 30 10 DKEE N#C[C@H](c1ccc(F)cc1Br)C1CCCCCC1 2065478980 CHNOUNQYQCVENQ-AWEZNQCLSA-N 310.210 5.166 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc(C)cc(Br)c1 2102111680 OCZBBNRERPEOON-RHSMWYFYSA-N 324.306 5.401 30 10 DKEE C=CC1(NCc2ccc(C)c(Br)c2C)CCCCC1 2121646717 PGXWWIUZSHMUJA-UHFFFAOYSA-N 322.290 5.044 30 10 DKEE CCCCCCCCCC[C@H](N)c1csc(C(F)F)n1 2188751640 YJWIRNMWGNRXFB-LBPRGKRZSA-N 304.450 5.611 30 10 DKEE C=CCCCCC[C@H](O)c1ccc(SC(F)(F)F)cc1 2196482873 UCDQLDZSWULFNM-AWEZNQCLSA-N 304.377 5.468 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1cc(C)c(Cl)s1 2207430130 QVBCJWNGJCWRJL-OAHLLOKOSA-N 314.922 6.440 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](NCC)c1ccsc1Cl 2207451892 DJRKYIMJQRLQNO-GJZGRUSLSA-N 317.926 5.164 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1c(Cl)cccc1Br 2304032275 HAEPVINFIIHYEH-UONOGXRCSA-N 316.670 5.095 30 10 DKEE O=C(C=Cc1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 2325795026 BSJLIRNLPDYYIM-UHFFFAOYSA-N 316.356 5.081 30 10 DKEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CNC(C)C 2335237552 GEGWHHNGJMZIRA-NSHDSACASA-N 301.858 5.034 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(C)c(Br)c1 2338738322 LOHSNNIRDKHASW-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE CC[C@H](C)[C@H]1CSC(=Nc2ccc(Cl)c(C)c2Cl)N1 2340145686 JAMVEDZWKQAJIG-QPUJVOFHSA-N 317.285 5.040 30 10 DKEE CC(C)(C)C1(C)CC(C#N)(c2ccc(F)cc2Br)C1 2352177666 AMLDQAIYXJMXJL-UHFFFAOYSA-N 324.237 5.196 30 10 DKEE Cc1c(C[C@]2(C#N)CCCC(C)(C)C2)ccc(Cl)c1Cl 2364002546 SVSYYDCMBMXLAP-QGZVFWFLSA-N 310.268 5.955 30 10 DKEE CN[C@@H](CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1C 2364406425 HJFHTMIIHBEULZ-INIZCTEOSA-N 310.268 5.146 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Cl)ccc1Cl 2365093943 RINIUZGALABPHR-LRDDRELGSA-N 310.268 5.084 30 10 DKEE O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)s1 6339770 JLLXJCDCPUJETB-DUXPYHPUSA-N 317.624 5.604 30 10 DKEE Cc1ccc(-c2nc3scc(C(C)(C)C)n3c2CC#N)cc1C 36255917 AJHFJMQJUJNOLX-UHFFFAOYSA-N 323.465 5.043 30 10 DKEE CCCC1(CCC)CC(C#N)(c2ccc(Cl)c(Cl)c2)C1 86541445 YPNMUBYYHDXSAQ-UHFFFAOYSA-N 310.268 6.135 30 10 DKEE SC[C@@H](COc1cc(Cl)ccc1Cl)c1ccccc1 94582524 OJVFAXDANZKTPR-GFCCVEGCSA-N 313.249 5.086 30 10 DKEE CCC1(c2sc(C#N)c(N)c2-c2cccs2)CCCC1 94908723 ZQBVDDJPRMXWIB-UHFFFAOYSA-N 302.468 5.152 30 10 DKEE CCCCCCCCNc1cccc(OCCCCCCC)c1 100039099 FUJMCFGJRXEMTP-UHFFFAOYSA-N 319.533 6.808 30 10 DKEE CCCCCCCCCCNc1ccc(C(=O)OCC)cc1 101006064 ALTCDPXHTLIIFO-UHFFFAOYSA-N 305.462 5.416 30 10 DKEE CCCCCCCCCCCCSc1nc2ccccc2[nH]1 103005797 ANZNGCBZAKGSQP-UHFFFAOYSA-N 318.530 6.576 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Br)ccc1C 109886510 XBEFFNLAPUXPHX-AWEZNQCLSA-N 312.295 5.918 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc2c(s1)CCCC2 122191400 CQFQOPNOWXLAGI-MRXNPFEDSA-N 308.535 5.272 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccc(Br)c(Cl)c1 125655897 RUCJSSNOHSTWOM-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCCCCCc1ccncc1C(=O)O 144660994 DKGVZKQLFZWCQV-UHFFFAOYSA-N 319.489 6.023 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1sccc1CC 162336641 CWRFAYRELALTIG-GOSISDBHSA-N 309.563 6.492 30 10 DKEE CCN(CC)c1ccc(C=Nc2ccc(Cl)cc2Cl)cc1 252460626 GXFIIQQJBNWWLP-UHFFFAOYSA-N 321.251 5.590 30 10 DKEE CCCCCCCC(=O)Cc1cc(Br)ccc1C 313937478 CMKGZVXYWKCFMQ-UHFFFAOYSA-N 311.263 5.230 30 10 DKEE C=C1C/C(=C\CCc2ccc(CCCCC)cc2)C(=C)[C@H]1CCC 607715863 RDDDLIQQGMZPEN-NXAROGRYSA-N 322.536 7.211 30 10 DKEE Cc1c(Cl)cc(N=C2N[C@H](CC(C)C)CS2)cc1Cl 690276136 LNKANKQRCPTYRY-LLVKDONJSA-N 317.285 5.040 30 10 DKEE CCCCCCC[C@@H](NCCC)c1snc(OC)c1Cl 708345576 KRDJONWISHHUOW-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE FC(F)Oc1cc(C(F)(F)F)cc2scc(C(F)F)c12 725292957 WRKYEJRTPUWIQE-UHFFFAOYSA-N 318.213 5.459 30 10 DKEE CCCCCCC[C@@H](N)c1sc(CC)cc1Br 1942102246 RTBLZZPTIAQDOH-CYBMUJFWSA-N 318.324 5.433 30 10 DKEE C=CCCCCC[C@@H](CCCOCc1ccccc1)NCC 1958682432 NIZCVZPAIMVPBY-FQEVSTJZSA-N 303.490 5.098 30 10 DKEE C#C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H](C)C(C)(C)C 1990747540 LZHCVHQSEBUSHD-NQIIRXRSSA-N 305.465 5.298 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Br)s2)C1 2002994518 UOGPLLMEJMJGSZ-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE CCc1nn([C@H](CC)c2ccc(C(C)C)cc2)c(Cl)c1C#N 2079893999 WHBVJNRVFVUBDZ-QGZVFWFLSA-N 315.848 5.093 30 10 DKEE CCCCC#CC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2083434143 PLSPEGBZWYFINN-LBPRGKRZSA-N 304.648 5.230 30 10 DKEE FC1(F)CCC(SCCCCCCCCCS)CC1 2088613699 UEEZRSQNDZXCMD-UHFFFAOYSA-N 310.519 5.958 30 10 DKEE C#CCC1(NCc2c(Cl)ccc(Cl)c2Cl)CCCC1 2089988389 QLABKLFJBKNPRN-UHFFFAOYSA-N 316.659 5.073 30 10 DKEE C=C1CC(C[C@H](NCCC)c2ccc(Br)c(C)c2)C1 2125735107 GHASGERPOXTGFS-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CCCCCCCCCCCCN(C)[C@@H](C)CCSC 2195918056 RAEYVXXIBKFSHN-SFHVURJKSA-N 301.584 5.981 30 10 DKEE Cc1cc(Cl)cc(Cl)c1N[C@H](C)c1ccc(C#N)cc1 2201074370 RIXSKKUCHNBOQM-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCC#CC[C@H](NC)c1cscc1C(F)(F)F 2203833931 PDPLQIFKUBARNV-AWEZNQCLSA-N 303.393 5.001 30 10 DKEE CN(Cc1cc2sccc2s1)c1ccc(C#N)c(Cl)c1 2205539001 DLVAFGDRCFBDDU-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE C=C([C@@H](Cc1cc(Cl)ccc1Cl)NCCC)C(C)(C)C 2234033777 FVCFUVRSEYJYDP-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE CCCCCCC[C@@H](NCC)c1cocc1Br 2249426591 VDPWMSRHFLGRAT-CQSZACIVSA-N 302.256 5.053 30 10 DKEE CCc1cc(Br)ccc1CC=CC#CC(C)(C)C 2256715005 ADNJYHAIQMFGFY-UHFFFAOYSA-N 305.259 5.160 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](O)c1scc(Cl)c1Cl 2256773157 BFDAVNSJMSZGSN-LLVKDONJSA-N 303.254 5.084 30 10 DKEE C=C(C)CCCC[C@@H](N)c1c(F)cc(C)cc1Br 2259196477 KEFYCVXIYGTTDV-CQSZACIVSA-N 314.242 5.033 30 10 DKEE CC#CCCCC[C@H](N)c1cc(Br)cc(C(C)C)c1 2265966127 YBRZRXKBRFXMEX-KRWDZBQOSA-N 322.290 5.156 30 10 DKEE C=CCCSC[C@H](NCCC)c1cccc(Cl)c1Cl 2271581880 LWBJMVGRDMROOP-AWEZNQCLSA-N 318.313 5.343 30 10 DKEE Cc1cc(Oc2nc(Cl)c(Cl)cc2Cl)ccc1C#N 2279023848 YQYIOTPREDWDCX-UHFFFAOYSA-N 313.571 5.014 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2294997055 OSKRSIUACITVSN-GFCCVEGCSA-N 305.409 5.472 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)Cc1cc(F)c(Cl)cc1Cl 2349893628 QYPNKJWRCMRELQ-CABCVRRESA-N 305.220 5.028 30 10 DKEE CCCCCCCCCOc1nc(Cl)nc2cscc12 2361109256 GZVWLWOPHGHYJW-UHFFFAOYSA-N 312.866 5.474 30 10 DKEE CC1(C)CCCC[C@@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2377418397 VAJHDAMDTHUXRZ-INIZCTEOSA-N 317.231 5.461 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCC1)c1ccc(Cl)c(Cl)c1 50039089 JPMGAKVVWQJTCO-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE CC(C)c1ccc(/C=N/c2cccc3ccccc23)cc1[N+](=O)[O-] 59465301 HXJXSCWSTHJUTG-FYJGNVAPSA-N 318.376 5.622 30 10 DKEE CCCCCCCCCCCOC(=O)c1ccc(C=O)cc1 101006170 XCOYQDAEEBESTO-UHFFFAOYSA-N 304.430 5.187 30 10 DKEE CCCCCCCCOC(=O)c1cc2cc(N)ccc2s1 109894383 PWTBTJOAAHCDJC-UHFFFAOYSA-N 305.443 5.001 30 10 DKEE C[C@H]1CC[C@](C)(/C(O)=C\C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 135954644 ZPWDPOBPQQLWEE-KMZHQNKZSA-N 320.517 5.922 30 10 DKEE CCCCCCCCC[C@H](N)[C@H](C)Oc1cccc(Cl)c1 139471200 BMUKIYCRWGODDS-YJBOKZPZSA-N 311.897 5.575 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1snnc1CCC 140374267 OUAYNFUUKGEVNQ-OAHLLOKOSA-N 311.539 5.282 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1ccccc1SC 162356062 LCTXXVFIWNIQQR-GOSISDBHSA-N 307.547 6.200 30 10 DKEE N#Cc1ccc(COc2cc(Cl)ccc2Cl)c(Cl)c1 162965528 OYQWTKXYJLZKGK-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCOc1cccc(N=Cc2c(O)ccc3ccccc23)c1 252627549 RWSZWVIBCHWVBR-UHFFFAOYSA-N 319.404 5.475 30 10 DKEE C=C(COC(C)C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1 387478613 VGCZEHZMGYIGQG-INIZCTEOSA-N 316.272 5.015 30 10 DKEE N#C[C@H](CC1CCCCCC1)Nc1ccc(Br)cc1 394533866 MONAYJSKYVSZGI-INIZCTEOSA-N 321.262 5.114 30 10 DKEE N#C[C@H](CNc1c(Cl)cc(F)cc1Cl)C1CCCCC1 397211912 XNOCQLOMPHVECM-LLVKDONJSA-N 315.219 5.264 30 10 DKEE C=CCCC(=O)C[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 406010377 UOTAQBDEGPNFSY-AWEZNQCLSA-N 317.429 5.063 30 10 DKEE C=CCSc1ccccc1NCc1cc2cscc2s1 693938470 HCTLMRYLZPBZEJ-UHFFFAOYSA-N 317.504 5.853 30 10 DKEE Cc1ccc(CNc2cc(Cl)c(C)c(Cl)c2)cc1C#N 701884668 UBISCHTYHWWTCE-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE Cc1c(Cl)cccc1Oc1ccc(C#N)c(Br)c1 702653457 JWJYYEFIUJBYLW-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE Cc1ccc(/C(=N/OCCCc2ccccc2)C2CC2)cc1C 821226107 CIFHROQCZDEMEE-QURGRASLSA-N 307.437 5.067 30 10 DKEE Clc1nc2ccccc2c(Cl)c1C=Nc1ccccc1 1088762364 QOFWWXDYHXMYDA-UHFFFAOYSA-N 301.176 5.292 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Cl)c(F)c1F 1923376598 UXIBXWGGTVPAGH-AWEZNQCLSA-N 304.808 5.792 30 10 DKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)c1cc(F)ccc1F 1951318846 MKWSLCMQYGKXLM-UHFFFAOYSA-N 313.130 5.168 30 10 DKEE CC1(C)CC[C@@H]([C@@H](C#N)Sc2ccc(Br)cc2)C1 2037682754 ODJHECLUEPYHRB-BXUZGUMPSA-N 324.287 5.260 30 10 DKEE C#CC[C@@H](COc1cc(Cl)c(Cl)cc1Cl)C1CC1 2075963451 CKCYKMSRBUEXRU-JTQLQIEISA-N 303.616 5.075 30 10 DKEE CCCCCCC[C@@](C)(N)c1cccc(Br)c1C 2083311369 IMARMMZYQIWSGB-MRXNPFEDSA-N 312.295 5.292 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200836463 PFOSRLIKSXOXLG-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE C=CCCCCCC[C@H](NCC)[C@H]1SCCS[C@H]1CC 2206898766 IZOHVEUYJINCPT-YESZJQIVSA-N 315.592 5.118 30 10 DKEE C=CCCCCCC[C@H](NCC)[C@@H]1CS[C@H](C)[C@H](C)S1 2206899112 KINLHTFGLBFIAR-QZWWFDLISA-N 315.592 5.117 30 10 DKEE C=CCCCCCCCCC(=O)c1cccc(Cl)c1Cl 2207425078 MKOBXCCCDOREMX-UHFFFAOYSA-N 313.268 6.483 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cccc(Cl)c1Cl 2207428806 CEJGTHIUAAHQSH-INIZCTEOSA-N 315.284 6.334 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1ncc(Cl)s1 2227270756 IGHAUPHGMHDZAB-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE C=CCCCC[C@@H](O)c1cc(Br)c(F)cc1Cl 2249383644 RIRCYXUDWGETKM-CYBMUJFWSA-N 321.617 5.021 30 10 DKEE Cc1cc(Br)ccc1Sc1c(C)cccc1C#N 2256872252 FMSBOEFHERSISO-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE Cc1ccc(Oc2c(Br)cccc2C#N)c(Cl)c1 2257503741 HPOUBTZHENSCGP-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCCOc1cc(Cl)sc1CNCC 2272663392 OJWZXXHFLYFTJT-UHFFFAOYSA-N 303.899 5.250 30 10 DKEE CCCCCCCCOc1c(Cl)cc(CN)cc1Cl 2278770358 CZRCDQUHPLFUDV-UHFFFAOYSA-N 304.261 5.191 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](SCC2(C(F)(F)F)CC2)C1 2281275619 HXIIWBFTNBCSIC-JHJVBQTASA-N 305.409 5.171 30 10 DKEE C=CCCCSc1c([N+](=O)[O-])ccc(NCCC)c1Cl 2287085223 WPYIOEFXHIZLRH-UHFFFAOYSA-N 314.838 5.128 30 10 DKEE CSc1cccc(Nc2cc(C)c(Cl)cc2Cl)c1C#N 2294763893 MXFJVGUYCIRUBX-UHFFFAOYSA-N 323.248 5.639 30 10 DKEE CC(C)(C)c1ccc(O)c(N=CC=Cc2ccccc2[N+](=O)[O-])c1 2297100542 FELDZLCYBNZKIZ-UHFFFAOYSA-N 324.380 5.014 30 10 DKEE O=C(C=Cc1cccs1)c1cc(F)c(Cl)cc1Cl 2297466679 YFFSIUQJQFMMNC-UHFFFAOYSA-N 301.169 5.090 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1occc1Br 2321115888 HVUIUNZMOXITDL-LSDHHAIUSA-N 314.267 5.075 30 10 DKEE COc1ccc(Cl)cc1C=CC(=O)c1c(C)cc(C)cc1C 2322951170 PYLUMJDNJTWOAV-UHFFFAOYSA-N 314.812 5.170 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2338895515 PMXADQXPRWWFGH-FZMZJTMJSA-N 300.273 5.035 30 10 DKEE C=CCCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2341114471 LTXAAAVEUSCIIY-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C=CC[C@@H]1CCC[C@H]1NCCCc1cc(Cl)cc(Cl)c1 2366831817 BKMMNRXRJVNDLL-RHSMWYFYSA-N 312.284 5.260 30 10 DKEE C=CC[C@H](C)/C=C\N(C(=O)OC(C)(C)C)c1ccc(OC)cc1 38229556 OGGFNNGFVRVXCP-PLFFATQSSA-N 317.429 5.163 30 10 DKEE CCCCCC[C@H](C)Oc1ccc(Br)cc1C#N 82110800 IADAGJVLAYTUJP-LBPRGKRZSA-N 310.235 5.058 30 10 DKEE CCCCCCCCCCCCCC(=O)N1CCC(C)CC1 100441812 MTCDVJVTUNBXBB-UHFFFAOYSA-N 309.538 5.946 30 10 DKEE CCCCCCCCCCCCCC(=O)NCc1cccnc1 100442432 SQVBCUFXAFTYRM-UHFFFAOYSA-N 318.505 5.399 30 10 DKEE CCCCCCCOc1ccc(-c2csc(C)n2)cc1N 104282874 IPCYGEYTGPTDDR-UHFFFAOYSA-N 304.459 5.050 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1cccc(Cl)c1 109718362 CZCWGCDOBIRSCY-LJQANCHMSA-N 309.925 6.651 30 10 DKEE CCCCCCCCCCNCc1cc(Cl)cc(Cl)c1 129259741 LFODEIXEGJNSDH-UHFFFAOYSA-N 316.316 6.224 30 10 DKEE Cc1ccc([C@H](C)Nc2ccc(C(F)(F)F)c(C#N)c2)s1 163962798 MYVDUAUANGBYCP-JTQLQIEISA-N 310.344 5.120 30 10 DKEE O=C(/C=C\c1ccccc1F)c1ccc(-c2ccccc2)cc1 212547224 WMGMRYZGDXMQBS-PFONDFGASA-N 302.348 5.389 30 10 DKEE CCCCCCCC[C@@H](N)c1c(F)cccc1Br 229080165 UGKDOSVZOZLWRI-CQSZACIVSA-N 316.258 5.339 30 10 DKEE N#Cc1ccc(Nc2ccccc2OCc2ccccc2)cc1F 310102489 NWMGKXLULOBQFB-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CCCCCCc1ccc(C(=O)O)c(-c2ccc(C#N)cc2)c1 585138897 RYWWOUOVFDDUJX-UHFFFAOYSA-N 307.393 5.046 30 10 DKEE CC1(C)CCC[C@H](Nc2cccc(Br)c2C#N)CC1 697639532 VLSBFFKGRJNTKE-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CCN1/C(=N\c2ccc(/N=N/c3ccccc3)cc2)S[CH][C@@H]1C 1615059518 AMFJZGGSHNWAPQ-PESCJGMUSA-N 323.445 5.708 30 10 DKEE N#CCc1ccc(CN(Cc2ccccc2)C2CCCCC2)cc1 1946852037 RRLVRZIVVHGQEL-UHFFFAOYSA-N 318.464 5.088 30 10 DKEE C=CCCCCC[C@]1(N)CC[C@H](C)C[C@@H]1OCc1ccccc1 1977524920 OCJHYVUJGRRUQM-JBACZVJFSA-N 315.501 5.226 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(C)sc1Br 2009485082 SBSJVAYSQAVIQV-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CCCCC[C@H](NCC)c1ccc(OCc2ccccc2)cc1 2009493537 KCHYTSXUWUREQP-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE C=C[C@H](N[C@H](C)c1ccc(OCc2ccccc2)cc1)C1CCC1 2020962336 VHCPLYCMOARZBV-VGSWGCGISA-N 321.464 5.271 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C#N)CCCC1(C)C 2032105450 URKPZDMLQQWZIH-INIZCTEOSA-N 306.247 5.020 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(Cl)sc2Cl)C1 2074835773 VTTPAISYOIJGTH-HZMBPMFUSA-N 302.270 5.708 30 10 DKEE C=C(Cl)C[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2083555556 QQIXRADGUUGRSX-CQSZACIVSA-N 306.664 5.047 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1scc(Cl)c1Cl 2096222039 QRZBTCQVNVBGBL-ZDUSSCGKSA-N 322.301 5.078 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2ccc(Cl)cc2Cl)CC1 2157100171 NUXYVWFMYSFHLE-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE C=C(C)CC[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164167012 YHWSECITRYNUEQ-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CC1(CN[C@H](C)c2ccc(C(F)(F)F)s2)CCCC1 2189513195 XIICYGDXBMFWEG-LLVKDONJSA-N 303.393 5.164 30 10 DKEE C=CCCCCCCCC[C@]1(O)CC[C@@H](P(C)(C)=O)C1 2207441965 MNQCOTATZUDMMO-SJORKVTESA-N 300.423 5.200 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H]1CCCN(Cc2ccccc2)C1 2244000894 LEEZRPWVFCBAHY-NHCUHLMSSA-N 317.517 5.010 30 10 DKEE CC(C)C(C)(C)CSc1c(Br)cccc1C#N 2248960676 YIQVEVVONYGZMH-UHFFFAOYSA-N 312.276 5.095 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(C)sc1Br 2250162512 ZRGUSTLYINOWAB-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE Cc1cc(C)c(C(=O)C=Cc2c[nH]c3ccccc23)cc1Cl 2295967986 RCPWWQSIOQDPBJ-UHFFFAOYSA-N 309.796 5.334 30 10 DKEE C=CCC(CC=C)C(=O)c1ccc(Br)c(Cl)c1 2301052538 HYTMLCLHYYSDJF-UHFFFAOYSA-N 313.622 5.054 30 10 DKEE CCN(CC)c1ccc(/C=N/c2ccc3ccccc3c2)c(O)c1 436447 ZPWZBHBIVYNHNZ-PXLXIMEGSA-N 318.420 5.142 30 10 DKEE CCc1ccc(C(=O)/C=C\Sc2ccc(Cl)cc2)cc1 12367753 FGXNSGNKVHRCRC-QXMHVHEDSA-N 302.826 5.391 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(C)cc1)[C@@H]1CC=C[C@@H]21 20692385 QEQWRDZHBSZULR-DBXWQHBBSA-N 317.432 5.386 30 10 DKEE C[C@H](Nc1ccccc1C#N)c1cc(F)c(Cl)cc1Cl 35019667 RIYSBPVKUSCWCP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE COc1c(C)cc(Cl)c(C)c1C(=O)/C=C/c1ccc(F)cc1 83193658 UUTWBGZQXNUKKO-RMKNXTFCSA-N 318.775 5.001 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCCC1)c1c(F)cccc1Cl 86580065 YTTSXQIYIBYEDL-CYBMUJFWSA-N 307.796 5.016 30 10 DKEE CC1(C)CCC(C#N)(Cc2ccc(F)cc2Br)CC1 87940130 QPLXEYOUTPSBRL-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CCCCCCCCO[C@H](c1ccc(Cl)s1)[C@H](C)N 109988685 YGISDMBMXBYXOE-WFASDCNBSA-N 303.899 5.167 30 10 DKEE CCCCCCCCCC[C@H](N)c1ncc(Cl)cc1Cl 128432859 XLBBJCXGBOPNTP-HNNXBMFYSA-N 317.304 5.919 30 10 DKEE CCCCCCCCCC[C@H](N)c1cccc(Cl)c1Cl 162354678 VTFJMYHUJHINAO-INIZCTEOSA-N 316.316 6.524 30 10 DKEE N#C[C@H](c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl 167245615 YBKOVJVNOFLLCN-QGZVFWFLSA-N 322.751 5.057 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1cc(Cl)cc(C(F)(F)F)c1 169103674 SNJYBEPLAAJALG-YGRLFVJLSA-N 316.754 5.243 30 10 DKEE C=CCC[C@H](C)Nc1ccc(Br)cc1C(F)(F)F 228824087 RVPGHODATRSKMR-VIFPVBQESA-N 322.168 5.235 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(C)c(Br)s1 229753365 KFWMUHLWARVHBZ-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE FC(F)(F)c1ccc(C=Nc2cc(Cl)cc(Cl)c2)cc1 254499696 QUGNBAJYAOSMCW-UHFFFAOYSA-N 318.125 5.763 30 10 DKEE Cc1ccsc1C=NN(Cc1ccccc1)c1ccccc1 254722054 VYYXHVASPIBSQR-UHFFFAOYSA-N 306.434 5.097 30 10 DKEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698853216 GVRKHYMJNGICKV-LJQANCHMSA-N 322.493 5.419 30 10 DKEE CC(C)CCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 703969133 NCXOQNCBFPKHKO-KRWDZBQOSA-N 316.445 5.147 30 10 DKEE CCCCCCCCC[C@H](NC)c1cscc1C(F)F 720279989 HNORBRIUCWJHRU-HNNXBMFYSA-N 303.462 6.087 30 10 DKEE CC1(C)CCC[C@](C)(Nc2cccc(Br)c2C#N)C1 1877824354 WFOKCAHRDSGCMX-INIZCTEOSA-N 321.262 5.092 30 10 DKEE CN[C@H](CC#CC1CCCCC1)c1cc(Cl)sc1Cl 2093442952 FOHOGRPILWHFMG-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE C=C1CC(C[C@H](NCCC)c2ccc(Br)cc2C)C1 2125728343 FXDXRSRJQLVSIA-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CCC[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1cccs1 2184458761 VLNSCQXCILFMJB-CYBMUJFWSA-N 308.809 5.366 30 10 DKEE Cc1cc(OC[C@H](CS)c2ccccc2)c(C)cc1Cl 2193331307 IEWWZUVIFRQCTK-OAHLLOKOSA-N 306.858 5.049 30 10 DKEE N#CCN(Cc1cccc(Cl)c1Cl)C1CCCCCC1 2195575346 GFTSQWUMNSZZGI-UHFFFAOYSA-N 311.256 5.042 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(C)cc1Cl 2201359933 ZRCMGNLQDZVYEL-QGZVFWFLSA-N 317.300 6.476 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(Cl)c(Cl)c1 2224390389 DMLGNMQWZDLGNI-CQSZACIVSA-N 322.707 6.397 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ncc(Cl)cc1Cl 2227268055 LWKAAGRXNVIWRB-CQSZACIVSA-N 302.245 5.339 30 10 DKEE C=C([C@H](Cc1cccc(Cl)c1Cl)NCC)C(C)(C)C 2227499396 BPQXQYPQUQQGSJ-AWEZNQCLSA-N 300.273 5.116 30 10 DKEE C=C[C@@H](CCCCC)OC[C@H](N)c1ccc(Cl)c(Cl)c1 2239511522 VUMNVZRARNVNON-BBRMVZONSA-N 316.272 5.145 30 10 DKEE C=C(C)CCCCCc1ccc(Br)c(F)c1F 2250155537 DAFISYSFOGWFRA-UHFFFAOYSA-N 303.190 5.406 30 10 DKEE Cc1cc(Br)ccc1S[C@H]1CCCCC[C@H]1C#N 2256883672 ZDTCKYIGNMYBBJ-WFASDCNBSA-N 324.287 5.322 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(Br)c(F)cc1C 2258014076 FBLAFJSKYDLFLD-OAHLLOKOSA-N 315.226 5.067 30 10 DKEE O=C1C(=Cc2ccc(-c3ccccc3F)o2)Sc2ccccc21 2296740154 HMVWDQVCJBUKEA-UHFFFAOYSA-N 322.360 5.415 30 10 DKEE COc1ccc2c(c1)CCC(=Cc1ccc(C(C)(C)C)cc1)C2=O 2297565455 HFQGRFBRHPTRLZ-UHFFFAOYSA-N 320.432 5.205 30 10 DKEE CCCCCCC=CCCCCCCCCCCCCCCC 2297732050 IRYCVIRCWSSJOW-UHFFFAOYSA-N 322.621 8.994 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)C=Cc1cccs1 2311451764 QQEDVWOVTALOOR-UHFFFAOYSA-N 311.450 5.252 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349845664 QXGMOIUCTGRULO-MEBBXXQBSA-N 302.220 5.139 30 10 DKEE CC[C@@H](OCC(C)(C)CS)c1ccc(C(F)(F)F)cc1 2369777970 LENDMZAYJMUKHB-CYBMUJFWSA-N 306.393 5.129 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1c(Cl)ccc(F)c1F 2370488545 XJBZHVBBXJMJLM-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(O)cc1 33477557 ZKWWAUZSPGBBNQ-LUAWRHEFSA-N 324.763 5.202 30 10 DKEE Cc1c(F)cc(C#N)cc1N[C@@H](C)c1cc(Cl)ccc1Cl 37089206 MUPIZEMSFMHTAM-JTQLQIEISA-N 323.198 5.486 30 10 DKEE Cc1ccc(C)c(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1 37155827 HFZATPNLDKJTEB-SOLBZPMBSA-N 301.499 5.750 30 10 DKEE COc1cc(Cl)c(C(=O)/C=C/c2ccc(C)cc2)c(Cl)c1 83192559 PWDSEZXRKRXXJU-BQYQJAHWSA-N 321.203 5.207 30 10 DKEE CCc1ccc(C(=O)/C=C/Nc2ccc(C(F)(F)F)cc2)cc1 101511231 OPWMNDHIKMOLMB-VAWYXSNFSA-N 319.326 5.076 30 10 DKEE CCCCCCCCOc1ccc(Cl)cc1[C@H](C)NCC 110096522 FFMVVIPCWGEBHH-HNNXBMFYSA-N 311.897 5.750 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cc(Cl)ccc1Cl 122215023 ORFIPGNTHYIFTG-MRXNPFEDSA-N 317.304 5.639 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1ccccc1Cl 131358596 IFJFSVFBZYQKRR-GOSISDBHSA-N 310.913 5.765 30 10 DKEE C[C@H](N[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccc(C#N)s1 135063938 RHHTVJVQHDWQPN-SJCJKPOMSA-N 316.445 5.197 30 10 DKEE CCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 205398897 LNSDBUWGWVONNI-PTGBLXJZSA-N 323.480 6.349 30 10 DKEE CCCCCCC[C@H](C)NC[C@H](C)COCc1ccccc1 389925562 VWEAXBWJXDXCBL-OALUTQOASA-N 305.506 5.178 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(Cl)c(Cl)c(Cl)c1 404319268 KOOMGXYSUINLQR-TVQRCGJNSA-N 317.647 5.531 30 10 DKEE CCCCCCCCC[S@@](=O)CCCCOc1ccccc1 586376494 IXYFPGMEQVODMG-JOCHJYFZSA-N 324.530 5.345 30 10 DKEE CCCCCCCCC[S@](=O)Cc1ccc(C(C)C)cc1 586379044 RNUCYMUSXFQTRT-NRFANRHFSA-N 308.531 5.809 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 710721764 XNWGLCFRYRZUTF-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cscc2C(F)(F)F)CC1 724607844 RABUIQJGPJXBFF-CQSZACIVSA-N 303.393 5.164 30 10 DKEE COc1ccc(C=Nc2ccc(/C=C/c3ccccc3)cc2)cc1 884967720 AMWLHYSTQXHJRQ-QRXNLXSYSA-N 313.400 5.616 30 10 DKEE CC(C)Cc1ccc(C#Cc2ccccc2OC(F)(F)F)cc1 1614827394 XJDOANFQGIFSOT-UHFFFAOYSA-N 318.338 5.184 30 10 DKEE Fc1ccc(OC(F)(F)F)cc1-c1cccc(C(F)(F)F)c1 1848368631 KBBLEIFLLYXSRM-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C=C1CCC(C[S@](=N)(=O)c2cc(Cl)cc(Cl)c2)CC1 1879720555 GWILZTZASKKLKM-IBGZPJMESA-N 318.269 5.145 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1scc(Cl)c1Cl 1885234407 BDOYMPJDONEPMG-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE Cc1sc(Br)c(C(=O)C2=CCCCCC2)c1C 1951093667 OTIPSBAZFOAQID-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE C=C([C@@H](NCC)c1ccc(Br)c(C)c1)C(C)(C)C 2035417296 HASKCYYFICGSGY-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C#CC[C@H](COc1c(Cl)cc(Cl)cc1Cl)C1CC1 2075964211 IYHFSBBZPITEGL-SNVBAGLBSA-N 303.616 5.075 30 10 DKEE N#Cc1sc(-c2ccc(C(F)(F)F)c(F)c2)cc1Cl 2080387446 DNCGQADHTCMGBK-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE FC(F)c1ccc(SC(F)(F)F)c(OC(F)(F)F)c1 2081027313 MBPZWBMSLHFGHL-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE CCCCCC#CC[C@@](O)(CC)c1ccc(Br)cc1 2138949784 SCQHUVXNPBESRR-KRWDZBQOSA-N 323.274 5.021 30 10 DKEE CCCCCCC[C@@H](O)[C@@H](NCCC)c1csc(Cl)c1 2154424695 WXUAMOJTXVBRCT-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2225676518 ZITOVQSBVRSHHV-WBMJQRKESA-N 300.273 5.116 30 10 DKEE C=CCCC[C@H](NCC)c1scc(Br)c1Cl 2242656575 OIZQPELISIRGJK-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=CCC[C@H](C)[C@@H](O)c1cc(Br)cc(C(C)C)c1 2254767647 DNJRWYPILGZVIU-BLLLJJGKSA-N 311.263 5.208 30 10 DKEE CCCCCCCC[C@@](C)(O)c1ncc(C(C)(F)F)s1 2279240663 VTUVEEYTQVZVGE-CQSZACIVSA-N 305.434 5.213 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1cc2sccc2s1 2289672378 QDLUBWIKMPLQHS-AWEZNQCLSA-N 303.496 5.197 30 10 DKEE CCCCCCCC[C@H](OCC(=O)O)c1csc(Cl)c1 2290615665 HRJGVTGGBWBZKZ-ZDUSSCGKSA-N 318.866 5.294 30 10 DKEE CC(C)CCN(CCCCCCCCCS)CC(C)C 2294750906 ONTRECKRJIEBSQ-UHFFFAOYSA-N 301.584 5.651 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cccc(Br)c1 2338739051 RTBGCCPVBHXRCZ-QGZVFWFLSA-N 322.290 5.258 30 10 DKEE C=CC[C@@H]1CCC[C@H]1NCc1sc2ccccc2c1Cl 2362239520 YHEILDQAZOGNTJ-TZMCWYRMSA-N 305.874 5.389 30 10 DKEE N#C[C@H](C(=O)c1ccccc1Cl)c1c(Cl)cccc1Cl 37344123 ZILLOWXCTYWATR-JTQLQIEISA-N 324.594 5.137 30 10 DKEE Clc1cc(Cl)cc(/N=C2/N[C@@H](c3ccccc3)CS2)c1 63001276 ILZAMPNQWFPFOF-CQSZACIVSA-N 323.248 5.059 30 10 DKEE CC(C)COc1ccc(-c2csc(CC#N)n2)cc1C(C)C 76541190 GZKDTSGCVAXCLF-UHFFFAOYSA-N 314.454 5.034 30 10 DKEE CCCC1CC(C#N)(Sc2ccccc2Br)C1 90246241 YINHYQGRGPDPOT-UHFFFAOYSA-N 310.260 5.014 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cc(F)cc(Br)c2)C1 94004417 VUTVYHCGLXXBSH-LRDDRELGSA-N 324.237 5.241 30 10 DKEE CCCCCCCCNCc1ccc(F)c(Br)c1 105807695 YQVCVFXREGQJHF-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(OCCC)c(Cl)c1 109912671 NDCCGDCRAFQLRG-HNNXBMFYSA-N 311.897 6.290 30 10 DKEE CCCCCCCCCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1 129227545 CWVSURFWEOLKBZ-HZPDHXFCSA-N 307.444 5.838 30 10 DKEE CCCCCCCCCC[S@@](=O)c1ccc(Cl)cc1N 149911916 WDCFWCHGOGDKMF-FQEVSTJZSA-N 315.910 5.171 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccc(Cl)c(F)c1 213839947 UHSHHDHAPQOLFQ-GFCCVEGCSA-N 321.848 5.930 30 10 DKEE CCCC[C@@H](CCC)Nc1ccc(C#N)c(Br)c1 226031572 WMBYRANATSMEAL-CYBMUJFWSA-N 309.251 5.092 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(F)c(F)cc1Cl 231301382 IBOXPEFHHRFZBI-MRXNPFEDSA-N 304.808 5.792 30 10 DKEE CCCCCCC[C@H](C)Nc1c(C)cc(Cl)nc1Cl 232950189 JLORHDPAUSOBKB-LBPRGKRZSA-N 303.277 5.858 30 10 DKEE Cc1sc(NN=C/C=C\c2ccccc2)nc1-c1ccccc1 252460558 GGZSZJTUSVPRCE-YBWZPROESA-N 319.433 5.230 30 10 DKEE C=C(C)CC[C@H](NCC)c1ccccc1OCc1ccccc1 309968082 MBSIIKNNDBTAOY-FQEVSTJZSA-N 309.453 5.273 30 10 DKEE CCCCCCCCCCCC[C@H](NC)[C@@H](C)CSC 379920632 AZNJJKZDOAJHDY-ROUUACIJSA-N 301.584 5.885 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Br)oc1C 396570795 XZAJDIVCVXLFAQ-AWEZNQCLSA-N 316.283 5.362 30 10 DKEE CC(C)CCC[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 703969142 NGMWDPONXHOAEF-QGZVFWFLSA-N 322.493 5.275 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cscc1Cl 710393820 BJSJONQYNHCDDR-MRXNPFEDSA-N 301.927 6.193 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(C(C)C)cc1 1857936406 KNINRPWBJJTRKN-HAVVHWLPSA-N 323.480 6.048 30 10 DKEE C=C1CCC(C[C@H](O)c2c(Cl)ccc(Cl)c2Cl)CC1 1886405806 VQMAGAWKEHPLIB-ZDUSSCGKSA-N 319.659 5.817 30 10 DKEE CCCCCCCC(=O)[C@](C)(O)c1cc(Cl)ccc1Cl 1919436532 FXCLSORJKSUEJG-MRXNPFEDSA-N 317.256 5.131 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Br)sc1C 1946701469 XOXLEWDCHVUXCM-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H](c1ccccc1)C(F)(F)F 1990810156 QWLGWNQBEUNWRF-SFHVURJKSA-N 319.370 5.368 30 10 DKEE C=CC1(C[C@@H](NC)c2cccc(OCc3ccccc3)c2)CCC1 2002638642 IYCJPVFIUKXTON-OAQYLSRUSA-N 321.464 5.273 30 10 DKEE CCCCCCCCCOCc1ccccc1Br 2080316353 QAKBAIJOYMUJBS-UHFFFAOYSA-N 313.279 5.716 30 10 DKEE N#Cc1sc(-c2ccc(F)c(C(F)(F)F)c2)cc1Cl 2080387439 DJSAXWHDESOECC-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)ccc1Cl)C(C)(C)C 2096620356 GBVDBSARBSRCMT-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE N#CC1(CNc2cc(Cl)c(Cl)cc2Cl)CCCCC1 2109988539 IKGHRWRAYYXZAZ-UHFFFAOYSA-N 317.647 5.533 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1cccc(Cl)c1Cl 2149858128 PKNLXKYWAWBTMJ-INIZCTEOSA-N 310.268 5.228 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)cc(C(F)(F)F)c1 2200836481 PQUCYGDOVUFOBM-UHFFFAOYSA-N 306.755 5.902 30 10 DKEE SCC1(CSCCCCCCC2CC2)CCCCC1 2231064998 KYGAJJPFRMJWAN-UHFFFAOYSA-N 300.577 5.960 30 10 DKEE CC(C)(C#N)CCCCOCc1ccc(Cl)cc1Cl 2231108671 SANRHWAXAGULPN-UHFFFAOYSA-N 300.229 5.230 30 10 DKEE C=CCCCCCC[C@H](Cc1cccc(Cl)c1Cl)NC 2235750841 ZIXVWOOHHDXSMI-OAHLLOKOSA-N 314.300 5.651 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2285206351 WFKSXNHULQXPKX-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](SCC2CC(C(F)(F)F)C2)C1 2287328165 HFDNJOKVMHJPOU-UKVZVYNXSA-N 305.409 5.027 30 10 DKEE Cc1ccc(Cl)cc1N=CC=C(O)c1ccc(Cl)cc1 2296645848 LPWYCEYJTHYTER-UHFFFAOYSA-N 306.192 5.603 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1SCc1ccccc1Br 2318741098 DTJPPQKNYULXDO-SWLSCSKDSA-N 324.287 5.155 30 10 DKEE Cc1cc(CN(C)C[C@](C)(CS)C(C)(C)C)sc1Cl 2352167550 VAXJVYMPAUMGEF-OAHLLOKOSA-N 319.967 5.124 30 10 DKEE CCCCCCCCOc1c(Cl)cc(Cl)cc1CNC 59300120 VMYLCEAOPVDMOI-UHFFFAOYSA-N 318.288 5.452 30 10 DKEE N#Cc1cccc(-c2csc(-c3ccc(F)cc3Cl)n2)c1 62938314 ZPINGRMMTZZRRE-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE CCCCCCCC[C@@H](CCCCCCC)c1ccccc1 100058790 LGXUGHSDZLQGOB-OAQYLSRUSA-N 302.546 7.881 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(Cl)cc(Cl)c1 115653309 BKOYEXMMFYLIPO-KRWDZBQOSA-N 317.300 6.558 30 10 DKEE C=C(CN[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 148007888 ANMCUUCGHZHWMJ-CYBMUJFWSA-N 306.236 5.357 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(C)c(F)cc1Cl 156395070 XGMKLNUVDGBDJA-SFHVURJKSA-N 313.888 6.189 30 10 DKEE N#CC1(Cc2ccc(F)c(Br)c2)CCCCCCC1 158867402 FUHCWEGBEYNLIJ-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE CCCc1ccc(Nc2cc(Br)cc(C#N)c2)cc1 227607753 RFUNFOILCGQVGY-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccoc1Br 232954376 YXCJJPNQPMXURD-CYBMUJFWSA-N 302.256 5.053 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1csc(Cl)c1 235542164 WTYVDBBLCSROPZ-NSHDSACASA-N 309.887 5.853 30 10 DKEE CCO[C@](C)(C#C[C@@](C)(CCC(C)C)OCC)CCC(C)C 238791035 GCZDIJZDAHHPDE-BGYRXZFFSA-N 310.522 5.453 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccsc1Br 698662276 MTTYJVSLRLFZDP-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE CCCCCCCCCC[C@@H](O)CCCNCc1ccccc1 1915221530 BCRZCRKGURSPKM-OAQYLSRUSA-N 319.533 5.448 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cnc(Cl)c(Cl)c1 1917240965 BHKCDHXZWZUPHG-OAHLLOKOSA-N 318.288 5.953 30 10 DKEE Cc1sc(C)c(C(=O)C=C2CCCCC2)c1Br 1940495878 VAOJNAIWIUZBRV-UHFFFAOYSA-N 313.260 5.201 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCC2(CCCCC2)C1 1976031728 LIWAWCBJLPIHOE-IBGZPJMESA-N 320.477 5.030 30 10 DKEE CCCCCCC[C@]1(N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 1988782001 BHNPVOFRBCYICO-BQJUDKOJSA-N 315.501 5.060 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccccc2Br)C1 2049513811 CJWMTFSLLRLHQM-MRXNPFEDSA-N 306.247 5.102 30 10 DKEE CC1(C)CCC[C@@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 2168548145 MQUQMPZHLPWPBJ-QGZVFWFLSA-N 310.268 6.036 30 10 DKEE C=CC1(CN[C@H](CC)c2ccc(Cl)cc2Cl)CCCC1 2189515505 VZKJJLSGRQANDV-MRXNPFEDSA-N 312.284 5.781 30 10 DKEE C=CCCCCCCCNCC[C@@H](C)N(C)Cc1ccccc1 2211145959 MNUSPWNWDXSDII-HXUWFJFHSA-N 316.533 5.013 30 10 DKEE CCCCCCCC[C@@](C)(N)C[C@H](C)COCc1ccccc1 2212656583 WYGSVTKNBGNUNZ-PZJWPPBQSA-N 319.533 5.697 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccc(Cl)cc1Cl 2227271936 LVLWSHSZOYFCJH-INIZCTEOSA-N 301.257 5.944 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Cl)c(Br)cc1Cl 2246034506 KRNMKLUVBNTPJT-MRVPVSSYSA-N 323.061 5.523 30 10 DKEE CC(C)(C)C#CC=CC[C@H](O)c1scc(Cl)c1Cl 2256773158 BFDAVNSJMSZGSN-NSHDSACASA-N 303.254 5.084 30 10 DKEE CC#CCCCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2265948744 YBRZRXKBRFXMEX-QGZVFWFLSA-N 322.290 5.156 30 10 DKEE CC1(CSC[C@@H](CS)C2CCC2)CC(C(F)(F)F)C1 2271691489 FNNNWTMILWJFSK-PNESKVBLSA-N 312.466 5.044 30 10 DKEE C=CCCCCCCCCC[S@](=N)(=O)CCC(F)(F)F 2283703137 MKBMWMSOXYOFMJ-FQEVSTJZSA-N 313.429 5.292 30 10 DKEE C#CCCCCCCNCCCc1cc(Cl)cc(Cl)c1 2366831895 BRIVNEFZDWKRGM-UHFFFAOYSA-N 312.284 5.099 30 10 DKEE O=C1/C(=C\C=C\c2ccccc2)CC/C1=C\C=C/c1ccccc1 12340175 QMOAOGJBIBSQOO-TWQCUEQUSA-N 312.412 5.629 30 10 DKEE Cc1cc(C)c(OC(C)C)c(C(=O)/C=C/c2sccc2C)c1 83193859 RRMHSIYYOULOGS-VOTSOKGWSA-N 314.450 5.357 30 10 DKEE CN(C)C(=O)CC1(C=O)CCCCCCCCCCCCCC1 90668521 OIHHAHCMDXOFLK-UHFFFAOYSA-N 323.521 5.125 30 10 DKEE CCCC(CS)(CCC)CN(Cc1cccs1)C(C)C 94580898 HZUOUTLCWANXSF-UHFFFAOYSA-N 313.576 5.475 30 10 DKEE C=C(C)n1c(=O)n(CCCCCCCC)c2cc(C)c(C)cc21 102249381 JAMIRLLCJNPVOM-UHFFFAOYSA-N 314.473 5.271 30 10 DKEE Cc1cc(Br)ccc1Nc1ccc(C#N)cc1Cl 110251712 DIKXAXSZQDYSID-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1ccc(Cl)cc1 112889171 SOVBJRMFNZULSQ-LJQANCHMSA-N 309.925 6.521 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ccnc(Cl)c1 156200862 JVILQOYATYUNHN-QGZVFWFLSA-N 311.897 6.079 30 10 DKEE C=CCCCO[C@@H](CCCC)c1ccc(-c2ccccc2)cc1 206353925 HHUFXOHAQJGPSV-QFIPXVFZSA-N 308.465 6.568 30 10 DKEE Cc1cc(Br)ccc1C(=O)C1=CCCCCCC1 235764449 WXLYPHBRJRFNOG-UHFFFAOYSA-N 307.231 5.221 30 10 DKEE Cc1ccc(C#N)c(N(Cc2ccccc2)Cc2ccccc2)c1 306779078 UHLRGNFDXTXUPZ-UHFFFAOYSA-N 312.416 5.074 30 10 DKEE CCCCCCC[C@@H](Cc1csc(Cl)c1)NCCC 393572727 XZZFFAHURDGEML-HNNXBMFYSA-N 301.927 5.673 30 10 DKEE N#C[C@H](CSc1ccc(Cl)c(Cl)c1)C1CCCC1 397358317 PXWQBNYTMOYLMO-LLVKDONJSA-N 300.254 5.415 30 10 DKEE C=CCCC[C@H](C)N[C@H](CC)c1ccc(Cl)cc1Cl 398183671 PDLCFQOUCGIIDL-BLLLJJGKSA-N 300.273 5.779 30 10 DKEE N#CCc1c[nH]c2ccc(F)c(-c3cc(Cl)cc(Cl)c3)c12 514263816 OGDDBNPFQQEWQR-UHFFFAOYSA-N 319.166 5.347 30 10 DKEE CCCCCCCCCNCc1c(Cl)cccc1Cl 700228719 DWWDIQHUUKNDEK-UHFFFAOYSA-N 302.289 5.834 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(OCC(C)C)cc1 1866090220 PWEITAQZANSUQX-UHFFFAOYSA-N 305.462 5.411 30 10 DKEE CCCCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NC 1893165540 JPXBKUZUHQRVFX-MRXNPFEDSA-N 302.289 5.484 30 10 DKEE C=CCCCCCCN[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 1939563529 MIGJAEFFJRCTGR-WOJBJXKFSA-N 315.501 5.096 30 10 DKEE C=C(COCc1ccccc1)[C@]1(O)CCCC2(CCCCC2)C1 1976030315 RQBBRWNQEZWKMS-NRFANRHFSA-N 314.469 5.015 30 10 DKEE Cc1cc(C(=O)C=C2CCCC2)ccc1NC(=O)OC(C)(C)C 1983506703 FUGOACRJJBLQOI-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE C=CCCCC[C@](C)(N)c1ccc(OCc2ccccc2)cc1 1984521293 HFWURGOPWZUQQS-NRFANRHFSA-N 309.453 5.186 30 10 DKEE C=CCCCC[C@](C)(O)c1ccc(Br)cc1Cl 2009523376 MNSRGNGTKIGFAK-AWEZNQCLSA-N 317.654 5.056 30 10 DKEE Cc1cc(Br)c(C(=O)C2=CCC(C)(C)CC2)s1 2010778540 HKUCAYCAKHBYCH-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1ccc(F)cc1C#N)C(C)(C)C 2019245802 CRJUKLTYESQNAQ-INIZCTEOSA-N 324.443 5.134 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(C)c(Cl)s1 2108228979 CLTZYJZWNCPREI-AWEZNQCLSA-N 301.927 6.241 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](SC2CCC(F)(F)CC2)C1 2144851214 ACDSHVHMDLYZQC-UMVBOHGHSA-N 301.446 5.406 30 10 DKEE C=C([C@@H](NCCC)c1csc(C(F)(F)F)c1)C(C)(C)C 2152941395 GXIYAWLCGGDMDM-CYBMUJFWSA-N 305.409 5.410 30 10 DKEE C[C@](N)(CC#CC1CCCCC1)c1cccc(Cl)c1Cl 2154708664 MEGSZXOIBMJFKO-KRWDZBQOSA-N 310.268 5.141 30 10 DKEE C=C(C)CC[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164168547 NIIDIPUTHRXOTF-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)c(F)cc1F 2179366884 IXHVUAKPKVKTDC-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE CCCCCCCN(C)CC(=O)c1ccc(Cl)c(Cl)c1 2196691908 GHHRMGYGEVRJCQ-UHFFFAOYSA-N 316.272 5.078 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccc(F)c(Cl)c1F 2240656151 DSSSQTYITCTWHH-LBPRGKRZSA-N 303.824 6.169 30 10 DKEE O=C1C(=Cc2ccc(F)cc2)CCCC1=C1SCCCS1 2297604812 IKXNLLJCZVWINM-UHFFFAOYSA-N 320.454 5.044 30 10 DKEE CC(C)[C@H]1CC[C@H](C)/C(=C\c2ccc(Br)cc2)C1=O 32915964 XXWIKUUTIWHVPA-QQTIJFBVSA-N 321.258 5.104 30 10 DKEE CC[C@H](Nc1cc(Cl)ccc1C#N)c1ccc(Cl)cc1 36954501 LFSONBCMWUCNLS-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE C=CCCCOc1c(Cl)cc(Cl)cc1CNCC(C)C 71275020 CBOFPANLBRRZKX-UHFFFAOYSA-N 316.272 5.084 30 10 DKEE CC[C@@]1(C)CS/C(=N\c2cc(Cl)c(Cl)cc2Cl)N1 80883256 WVUSKUFSYLLEOS-LBPRGKRZSA-N 323.676 5.139 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@@H](O)c2ccccc2Cl)CC1 91881197 OHKGBZBRPIRATD-MNQCNDSGSA-N 305.849 5.120 30 10 DKEE CCCCCCCCOc1ccc([C@H](CC)NCC2CC2)cc1 100047131 AYYQQEXXQUIONA-NRFANRHFSA-N 317.517 5.877 30 10 DKEE CCCCCCCCOc1ccccc1[C@H](C)NCCCC 100047611 LGPNGCLKFQYGPS-SFHVURJKSA-N 305.506 5.877 30 10 DKEE CCCCCCCCOc1ncc(Br)cc1Cl 163584088 WGJOIZQYOUKPJQ-UHFFFAOYSA-N 320.658 5.237 30 10 DKEE Cc1cc(C)c(C)c(Oc2cc(Br)cc(C#N)c2)c1 227634423 WIVSMFHCXCYAEM-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE O=[N+]([O-])c1ccc(C=Nc2ccc(Oc3ccccc3)cc2)s1 252463167 ZJARLKAFNKOPSF-UHFFFAOYSA-N 324.361 5.199 30 10 DKEE OCc1cccc(N=Cc2c3ccccc3cc3ccccc23)c1 257351332 DLCJMWWIGRBBTH-UHFFFAOYSA-N 311.384 5.236 30 10 DKEE C=C(C)C[C@H](NCC)c1cc(Cl)c(C)cc1Br 310164294 JKUUIODROMRZNI-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE C=CCCC[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 398155909 GIDKGYGZYOFRMD-WDEREUQCSA-N 320.691 6.042 30 10 DKEE C#CCCCCC[C@@H](NC)c1ccccc1OCc1ccccc1 686690357 SZXLCXXIQIOACT-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE C[C@@H](CC(C)(C)C#N)Oc1cc(Cl)c(Cl)cc1Cl 695862711 GHKZFNCOCTYHRS-QMMMGPOBSA-N 306.620 5.354 30 10 DKEE N#CCc1ccc(SC(F)(F)F)c2cc(C(F)F)sc12 725297703 VWILCHLPOUZBLU-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE CSc1ccc(/C(=N/OCc2ccccc2C)C2CC2)cc1 821234166 JQYIUVGNBGAHGY-FMQUCBEESA-N 311.450 5.048 30 10 DKEE CCCCCCCn1c(CS)nc2cc(C(C)C)ccc21 1857801817 RHWPIUMGOUJBAR-UHFFFAOYSA-N 304.503 5.560 30 10 DKEE C[C@H](N(Cc1ccccc1)Cc1ccc(F)c(C#N)c1)C(C)(C)C 1946839413 NYDHHNGYYYLMJO-INIZCTEOSA-N 324.443 5.134 30 10 DKEE N#CC1(COc2ccc(OCc3ccccc3)cc2)CCCCC1 2001540965 POXNEAUFFBQGKR-UHFFFAOYSA-N 321.420 5.118 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)c(Br)c2)CCC12CCC2 2047960155 XAAYBKTWEWOBFK-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE C=CCCCC[C@@H](NCC)c1cccc(C)c1Br 2059114179 HGGZWTUSRCHBPO-OAHLLOKOSA-N 310.279 5.155 30 10 DKEE CCCCCC#CC[C@@](C)(O)c1cc(Cl)sc1Cl 2083397592 QIFICEHSCYMYLS-CQSZACIVSA-N 305.270 5.236 30 10 DKEE C=CCCCCCC[C@@H](N)c1cccc(C)c1Br 2085841470 IFBOWURXQXTXHW-OAHLLOKOSA-N 310.279 5.284 30 10 DKEE C=C([C@H](Cc1ccc(Cl)c(Cl)c1)NCC)C(C)(C)C 2096622352 UWRGCZRYFURLFW-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 2102477468 PMVNQEFISKRWRE-GOEBONIOSA-N 322.290 5.073 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(F)cc1Cl 2139408741 MFOGVJPIVNXQBN-OAHLLOKOSA-N 307.236 5.917 30 10 DKEE C=CCCCCCC[C@@H](NCCC)c1cc(Cl)ns1 2141917403 VHBQZHKUQYOSOF-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE C=C([C@@H](NCC)c1cc(-c2cccs2)cs1)C(C)(C)C 2164126467 IOEAMHNEPZIEHF-MRXNPFEDSA-N 305.512 5.730 30 10 DKEE C=C([C@@H](NCCC)c1ccc(F)c(Cl)c1F)[Si](C)(C)C 2164215999 VXRDHTFFHKHMFU-OAHLLOKOSA-N 317.883 5.093 30 10 DKEE Cc1cc([C@H](C)Nc2cc(Cl)c(C#N)cc2F)c(C)s1 2177381310 LPMVGJUXKLSYMU-VIFPVBQESA-N 308.809 5.202 30 10 DKEE CCCCCCCCN(C)[C@@H](CN)c1cc(C)c(Cl)s1 2196736743 LJLCJFZQNXBVNG-AWEZNQCLSA-N 316.942 5.002 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1cc2sccc2s1)C1CC1 2196855400 CQWBHHXFKCIGOE-KBPBESRZSA-N 303.496 5.053 30 10 DKEE C=CCCCCCCCOC[C@@H](NCc1ccccc1)C1CC1 2211145876 MTKCOEUSYSDBHQ-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE CCC1CCC(C#N)(Cc2cscc2Br)CC1 2214597023 WNASXBUDBMWCLS-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1ccc(Cl)c(Cl)c1 2235541958 NEJVRJKCYLHJFA-MRXNPFEDSA-N 315.288 5.415 30 10 DKEE Cc1ccc(CCC=CC#CC(C)(C)C)cc1Br 2256704726 RRNDGXVZOFKPRG-UHFFFAOYSA-N 305.259 5.296 30 10 DKEE C=C(C)CCCCCc1cc(Br)cc2c1OCC2 2259195245 QNXLCYURRZQARW-UHFFFAOYSA-N 309.247 5.063 30 10 DKEE C=CCCCCCC[C@@H](OCCCN)c1cc(Cl)cs1 2292784904 PINAZCJXZTUTQJ-OAHLLOKOSA-N 315.910 5.335 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1sc(C)c(Br)c1C 2304046312 PDRDLHVKAVGSAL-UONOGXRCSA-N 316.308 5.120 30 10 DKEE C=CCOc1ccc(Cl)cc1C=CC(=O)c1ccc(C)cc1 2322595976 FTHDXBWLXKGUNT-UHFFFAOYSA-N 312.796 5.109 30 10 DKEE O=C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCCSC1 2341148726 WERFISNLHVYSAY-HNNXBMFYSA-N 317.281 5.028 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)CCc1cc(Cl)cc(Cl)c1 2344342528 KOYBXBPSRUNPDN-JKSUJKDBSA-N 300.273 5.246 30 10 DKEE Cc1cccc(C#N)c1OCc1ccc(Cl)c(Cl)c1C 2364894403 BZRPNOVNCNQEOK-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C(=N/c1ccc2[nH]c(-c3ccccc3)nc2c1)\c1cccs1 13306898 CPZIOCYLFZUHCV-XDHOZWIPSA-N 303.390 5.042 30 10 DKEE O=C(/C=C\c1cccc(Cl)c1)/C=C/c1cccc(Cl)c1 33374042 AGUILNAYEDJFSM-FKJILZIQSA-N 303.188 5.289 30 10 DKEE CCCCCCCOCC(=O)c1cc(Cl)sc1Cl 59526090 AKYMFPNLGLPLRO-UHFFFAOYSA-N 309.258 5.225 30 10 DKEE Cc1ccc(Cn2c(Cl)c(C#N)c3ccc(C)c(C)c32)cc1 71465649 MXPYEFFWPDFZOW-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2cccs2)c(Cl)c1 83193913 AVKSCJYAKGJGMJ-SOFGYWHQSA-N 306.814 5.086 30 10 DKEE C[C@H](Cc1cccs1)N(C)CCCCCCCCCS 97799516 WPJCYIYKQAYCBQ-MRXNPFEDSA-N 313.576 5.271 30 10 DKEE CCCCCCCCCCC[C@@H](NCC)c1sccc1C 115857075 UCCHJAPBZBDDHZ-GOSISDBHSA-N 309.563 6.628 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H](OCC)C(C)C 122976303 OEIAFJRQNCXUMH-RTBURBONSA-N 300.527 5.719 30 10 DKEE CC(C)(C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1 150027786 WKHLQEBPSJVEOQ-UHFFFAOYSA-N 312.416 5.958 30 10 DKEE CCCCCCCCCCCC[C@H](NC)[C@@H]1CCCCS1 157712356 NPMNQHNKEXNWDG-OALUTQOASA-N 313.595 6.171 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(Br)cc1C 158976906 GIKSIMOBWPRFQL-INIZCTEOSA-N 312.295 5.508 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Br)cc2)C1 222273490 KBPXEUQUZIZTRY-JMSVASOKSA-N 324.287 5.260 30 10 DKEE C=CCCC[C@H](NCCC)c1cccc(C)c1Br 233123891 HRBPXNJINXOEDH-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE C=CCCC[C@@H](C)NC1CC(c2ccc(Br)cc2)C1 398207895 YYPSTOMXVFWDSM-BZOOQXSSSA-N 322.290 5.030 30 10 DKEE N#Cc1cccc([C@H]2CCc3ccccc3N2Cc2ccccc2)c1 616668458 VUPNRGZIVQJIFN-HSZRJFAPSA-N 324.427 5.252 30 10 DKEE CCCCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698481975 BVGAVHZBOJTQAA-JKSUJKDBSA-N 310.482 5.275 30 10 DKEE CCCCCCC[C@H](N)c1ccc(C)c(Br)c1C 719541131 WLUZCIHKCKCCPL-HNNXBMFYSA-N 312.295 5.426 30 10 DKEE C=C1CCC(C[C@H](NC)c2cscc2C(F)(F)F)CC1 724607842 RABUIQJGPJXBFF-AWEZNQCLSA-N 303.393 5.164 30 10 DKEE CCCOc1ccc(C#Cc2c(Cl)cccc2Cl)cc1 1614828243 XCMDJMLAVFZKJY-UHFFFAOYSA-N 305.204 5.182 30 10 DKEE CCCC[C@H](C)N(C(=O)c1cccc(C#N)c1)c1cccc(C)c1 1859996109 FUHMKHVWUNBUEL-KRWDZBQOSA-N 320.436 5.092 30 10 DKEE CCCCCCCC[C@@H](N)c1scc(Br)c1C 1922982576 GTOFAXFQFKFIEH-CYBMUJFWSA-N 318.324 5.569 30 10 DKEE CCCCCCCCCC[C@]1(O)CC[C@@H]1OCc1ccccc1 1939557068 CXVJJCWZJYYTDT-SFTDATJTSA-N 318.501 5.628 30 10 DKEE SC[C@H](CSc1cc(Cl)cc(Cl)c1)C1CCC1 1942150326 PTJJORUUKIBBSS-SNVBAGLBSA-N 307.311 5.432 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Br)s1 1996468592 VNRCJYJSXOIDCZ-BXUZGUMPSA-N 316.308 5.154 30 10 DKEE C=CCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@H]1C#N 2000880668 XDOUNEBHZCHUGB-PCCBWWKXSA-N 324.512 5.419 30 10 DKEE C=CCCCC[C@@H](NCCC)c1c(Cl)cncc1Cl 2123079722 GUCRQYJVGCTJKX-CQSZACIVSA-N 301.261 5.176 30 10 DKEE SCC1(COc2ccc3sccc3c2)CCCCCC1 2144361938 WDKDNDRMJNJBAK-UHFFFAOYSA-N 306.496 5.551 30 10 DKEE CCCCCCCC[C@H](NCC)[C@@H](O)c1cc(Cl)cs1 2148586410 IQPZMILJFIEKJA-GOEBONIOSA-N 317.926 5.164 30 10 DKEE CCCCCCCCCCC(=O)c1sc(OC)nc1Cl 2163964658 YMKOQHXDKUSCQF-UHFFFAOYSA-N 317.882 5.519 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cscc1C(F)F 2206885135 KXWRDGUQMQPQQO-OAHLLOKOSA-N 301.446 5.863 30 10 DKEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1cc(F)cc(Cl)c1 2238017372 DGCKREKWNVSPTE-SECBINFHSA-N 309.171 5.177 30 10 DKEE FC(F)(F)[C@@H]1CCCC[C@@H]1OCC1(CS)CCCCC1 2239958046 IHBFVFROEJCOCJ-OLZOCXBDSA-N 310.425 5.004 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@H](C#N)c1ccc(Br)c(F)c1 2258994428 CUIGLGSSUUSFFR-RAIGVLPGSA-N 310.210 5.022 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1ccc(Cl)s1 2295688972 LISSUOIHURRXEK-HOTGVXAUSA-N 317.926 5.293 30 10 DKEE C=CCCCCCCC(=O)c1csc(C)c1Br 2303607084 WIEUNKVTXGXVPZ-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1sc(C)c(Br)c1C 2304122286 JOYMSPNZDGTVEB-KBPBESRZSA-N 317.292 5.153 30 10 DKEE N#CC[C@@H]1CCC[C@@H](c2c(Cl)ccc(Cl)c2Cl)O1 2317110815 ISJGVIWXFYROHX-KWQFWETISA-N 304.604 5.171 30 10 DKEE CC1(C)CC(CS)(CSc2cc(Cl)cc(Cl)c2)C1 2321756311 DCMHEHODEZQCCM-UHFFFAOYSA-N 321.338 5.822 30 10 DKEE CCCCCCCC(=O)Cc1ccc(Cl)c(Cl)c1C 2338691189 PMBZHYNGQJZKMI-UHFFFAOYSA-N 301.257 5.774 30 10 DKEE O=CC1(CCCCC(F)(F)C(F)(F)F)CCCCCC1 2368115259 FDVGKLLJJUSWOA-UHFFFAOYSA-N 300.311 5.284 30 10 DKEE C=C[C@]1(C)C=C2CC[C@@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2CC1 31623231 BGCXKCIPDDNDEV-SQEGATDGSA-N 316.485 5.295 30 10 DKEE biogenic N#C[C@@H](C(=O)CCC1CCCCC1)c1ccc(Cl)cc1Cl 37346221 BDBGGFURDPYJGN-OAHLLOKOSA-N 324.251 5.530 30 10 DKEE C[C@H]1CCc2ccccc2N1CCCCCCCCCS 97799186 JMUAIISQQHNTFH-KRWDZBQOSA-N 305.531 5.488 30 10 DKEE C/C(=C\CCC(C)C)C(=O)CC[C@H](C)CCC[C@@H](C)CC(=O)O 100500649 MIWRWJAQQDMVLP-RHUDWFJBSA-N 324.505 5.635 30 10 DKEE CCCCCCCCSC(=S)N(CCCC)CCCC 103013665 FFDBKPSOFNPMOW-UHFFFAOYSA-N 317.608 6.267 30 10 DKEE CCCCCCCCCCC/C=C/CC[C@@H]1N=C1C(=O)OC 111482716 KUYGCVCTWOZKGR-CLVCIHKQSA-N 307.478 5.240 30 10 DKEE CCCCCCC[C@@H](O)c1cc(F)c(Br)cc1F 112340247 NRVVYXQHFKIZKC-CQSZACIVSA-N 321.205 5.121 30 10 DKEE CCCCCCCCC[C@@H](Cc1ccc(Cl)cc1F)NC 134226692 YFQBCSAJOWWOLU-KRWDZBQOSA-N 313.888 5.750 30 10 DKEE CCSc1cccc(Nc2cc(C)ccc2Cl)c1C#N 232244962 MPVBKMWKRVWCEU-UHFFFAOYSA-N 302.830 5.376 30 10 DKEE C#CCCCCCNc1ccc2ccccc2c1Br 686686031 UXDLUQBHCKSQPR-UHFFFAOYSA-N 316.242 5.208 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1n1c(S)nc2c(Cl)cccc21 692191122 NVFGWHUHNVUUNB-DGCLKSJQSA-N 306.862 5.286 30 10 DKEE Fc1cccc(Cl)c1C=NN(c1ccccc1)c1ccccc1 1084085779 HEAINMONSXOJMQ-UHFFFAOYSA-N 324.786 5.651 30 10 DKEE CC[C@@H](C)c1ccc(N=Cc2ccc(N3CCCCC3)cc2)cc1 1084476600 IHHPWMDLVSTVJW-GOSISDBHSA-N 320.480 5.941 30 10 DKEE CCCCCCCCCCNC(=O)Cc1ccc(C(C)C)cc1 1859577462 AWASBHKWZWHFFP-UHFFFAOYSA-N 317.517 5.609 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1cccc2ccccc12 1874582582 VKYYJYQFCQVTCK-CCEZHUSRSA-N 316.400 5.525 30 10 DKEE C=CCC(C)(C)[C@H](C[C@H](C)COCc1ccccc1)NCCC 1903138096 YAJAABGFWCHTRO-ICSRJNTNSA-N 317.517 5.200 30 10 DKEE C[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)Cc2cccs2)C1 1915388729 QYEGWJOPPPQPGG-KPFFTGBYSA-N 324.493 5.079 30 10 DKEE CC(C)(CS)CN(Cc1ccccc1)CC1CCCCC1 1931882322 RWAXZCMEDNQFNQ-UHFFFAOYSA-N 305.531 5.025 30 10 DKEE CCCCCCCC[C@@]1(N)CCCN(Cc2ccccc2)CC1 1976796972 SSLFZKAWFXUILF-OAQYLSRUSA-N 316.533 5.121 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)C[C@]1(C=O)CCCC(C)(C)C1 1980273070 AGPLCJHJZGYPKZ-NQIIRXRSSA-N 315.501 5.073 30 10 DKEE CCCCCCCCOc1cc(F)c(Br)c(F)c1 2031688939 MZHVAAJJWFBKCY-UHFFFAOYSA-N 321.205 5.467 30 10 DKEE O=C1C(=CNc2ccccc2)[C@H](c2ccccc2)c2ccccc21 2053535912 CTAWUMWLZOIMBV-OAQYLSRUSA-N 311.384 5.011 30 10 DKEE CCC#CC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2053771105 TXCHEMQFNXYEKE-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2ccc(Br)cc2C)CC1 2061198268 ZZRUOMMCUHDIHZ-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(Br)c(F)c1 2077433347 QXDWPJZKSFAFTA-HNNXBMFYSA-N 317.242 5.156 30 10 DKEE CCC1(C)CCC(Nc2ccc(C#N)c(Br)c2)CC1 2114870569 ZONGCBCZKZGNCN-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cccc(C)c1Br 2141905742 NZSZEGKHTQZEOG-MRXNPFEDSA-N 324.306 5.545 30 10 DKEE C=CCCCCCC[S@](=N)(=O)c1cc(Cl)cc(Cl)c1 2141923058 KTZQIDUYBOJXCJ-IBGZPJMESA-N 320.285 5.536 30 10 DKEE CCCN[C@@H](CC#CC1CCCCC1)c1ccc(Cl)s1 2149863543 BTUPBGCTXTXCTG-HNNXBMFYSA-N 309.906 5.416 30 10 DKEE C=C([C@H](Cc1ccc(Cl)cc1Cl)NCCC)C(C)(C)C 2152939547 ADRAUPRHDJJZHC-INIZCTEOSA-N 314.300 5.506 30 10 DKEE Cc1cc(Cl)cc(Cl)c1NC[C@H](C#N)c1ccccc1 2201072147 UCHXQMWIEHIYSX-ZDUSSCGKSA-N 305.208 5.021 30 10 DKEE CCCCCC#CC[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 2203818362 FKXHYOOHAVNYLN-MRXNPFEDSA-N 316.247 5.280 30 10 DKEE CCCCCCCCCCN=c1[nH]c(C(C)(F)F)cs1 2234783607 VNSLNPNRDGOAFA-UHFFFAOYSA-N 304.450 5.229 30 10 DKEE C=C(C)CCCC[C@]1(N)CC[C@H](C)C[C@H]1OCc1ccccc1 2244644337 LZIUZNQJXYQHOR-TYPHKJRUSA-N 315.501 5.226 30 10 DKEE CCC[C@@](C=O)(CC)CN(Cc1ccccc1)C1CCCCC1 2244800408 GIPYBGCWZBHNSA-NRFANRHFSA-N 315.501 5.217 30 10 DKEE CCCCCCCNCc1sc(Br)c(C)c1C 2247233595 QVPNRDJZIQMJCX-UHFFFAOYSA-N 318.324 5.187 30 10 DKEE CC(C)(C)C#CC=CCC(=O)c1cc(Cl)sc1Cl 2256701348 LGNUQBNDFLGOIE-UHFFFAOYSA-N 301.238 5.233 30 10 DKEE C=CCCCSCc1nc(Cl)c2c(C)c(C)sc2n1 2271488010 LCOOQOHHBWQHAB-UHFFFAOYSA-N 312.891 5.161 30 10 DKEE CN[C@@H](CC=CC#CC(C)(C)C)c1c(Cl)cccc1Cl 2284108465 GQATYYSODFNNTL-HNNXBMFYSA-N 310.268 5.250 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286473826 NQVRZUOLHKVXFO-PXAZEXFGSA-N 314.300 5.945 30 10 DKEE CCCCCCC[C@H]1CCC[C@H](C(F)(F)C(F)(F)F)N1 2286755173 KTDHYBPUJZMULK-NWDGAFQWSA-N 301.343 5.055 30 10 DKEE C=CCCCCCCCSC[C@H](O)c1ccccc1Cl 2287083807 QEZRPDBMCAMKNM-KRWDZBQOSA-N 312.906 5.633 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(F)cc1CN 2287088030 VXRROTRRHMIEAG-UHFFFAOYSA-N 315.885 5.557 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc2sccc2s1 2287414340 PHQISPZQQAOIKC-AWEZNQCLSA-N 307.528 6.140 30 10 DKEE CCCCCCC[C@](C)(OCC(=O)O)c1sccc1Cl 2290733310 NHKILDNHPHPZAU-HNNXBMFYSA-N 318.866 5.078 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1ccc(Br)cc1 2338743187 CLFXCWTZNRAGMI-QGZVFWFLSA-N 322.290 5.258 30 10 DKEE C=CCCCCCCCC(=O)c1cc(OC)c(Cl)s1 2340279639 JKDAEBHMXKBUFP-UHFFFAOYSA-N 300.851 5.510 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCCC)c1ccc(Cl)c(F)c1 2360209183 ZEQRUIQXYJGZIX-WBMJQRKESA-N 315.885 5.218 30 10 DKEE C=CC[C@H](C)S[C@H]1CCCCCCC(F)(F)[C@@H]1NCC 2360331558 VCQUMRLFAUMCBG-SOUVJXGZSA-N 305.478 5.020 30 10 DKEE Cc1c(C[C@@]2(C#N)CCCC23CCC3)ccc(Cl)c1Cl 2364221430 XJJPGIPRBYDATC-QGZVFWFLSA-N 308.252 5.709 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1csc(C(F)(F)F)c1 2370484995 BUEGMXXBBNQXIA-CYBMUJFWSA-N 305.409 5.410 30 10 DKEE O=C1/C(=C/c2cccc(F)c2)CCC/C1=C\c1cccc(F)c1 4826249 RANXKIYLTVWOIP-OTYYAQKOSA-N 310.343 5.185 30 10 DKEE O/N=C1/CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 13397471 CGIUOCJZIYTDRG-WTAXECHQSA-N 306.192 5.097 30 10 DKEE C/C(=N/Nc1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 34847664 GGUFIWXYWFMILM-UWVJOHFNSA-N 315.150 5.108 30 10 DKEE C[C@H](Nc1ccc(CC#N)cc1)c1cc(F)c(Cl)cc1Cl 37301949 NZQZUNDCVYCSCE-JTQLQIEISA-N 323.198 5.372 30 10 DKEE SCC1(COc2cc(Cl)ccc2Cl)CCCCCC1 94582521 APFQVECVUFFGBY-UHFFFAOYSA-N 319.297 5.643 30 10 DKEE CCCCCCCCC(=O)Nc1cccc(Br)c1 109702860 SXYBNWYBGAJCST-UHFFFAOYSA-N 312.251 5.138 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1ccccc1Cl 109901209 IZEAKRAKDOLOCA-CYBMUJFWSA-N 303.858 5.791 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(Br)cc1 114871788 VFAZMWBRCXLKAK-INIZCTEOSA-N 313.279 5.407 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(OC)c(Cl)c1 115856581 VDJQRSJSYYZUQS-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE CCCCCCCCNc1cc(Br)ccc1C#N 123370810 DUDATTULBCTKIJ-UHFFFAOYSA-N 309.251 5.093 30 10 DKEE CSc1cccc(N(C)[C@@H](C)c2ccc(Cl)cc2)c1C#N 136660903 MTPKOCRVHGCDEV-LBPRGKRZSA-N 316.857 5.131 30 10 DKEE CCCCCCCCCCNc1cc(Cl)nc(C2CC2)n1 162994764 PFUIWCJLFLLMJD-UHFFFAOYSA-N 309.885 5.560 30 10 DKEE CCCCCCCCCCNCc1ccc(C(C)(C)C)s1 166050111 WLQGDUNHPWZZEV-UHFFFAOYSA-N 309.563 6.276 30 10 DKEE Cc1cccc(/C=N\Nc2nc(-c3ccc(C)cc3C)cs2)c1 169964004 HIWXAZLYZIPVLQ-JAIQZWGSSA-N 321.449 5.181 30 10 DKEE COc1ccc(C2(S)c3ccccc3Oc3ccccc32)cc1 196410521 GGHCCASEJMFUKB-UHFFFAOYSA-N 320.413 5.023 30 10 DKEE CCCCCCCCn1c(/C=C\c2ccco2)nc2ccccc21 205756589 DQTKELJZEQHOST-PFONDFGASA-N 322.452 6.160 30 10 DKEE N#Cc1cc(Br)cc(Sc2ccccc2Cl)c1 227637556 OASAYXUUQFSPAN-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCNc1cccc(Br)c1C 232240975 WXTMEQDMARIXJT-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE CC[C@H](C)[C@H](C)[C@@H](C#N)Sc1ccc(Br)cc1 319711196 DWXPYZPKJJHXLH-COPLHBTASA-N 312.276 5.116 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC(C)(C)C[C@H]1C 698380831 UROHMUJMXUQASG-ZRGWGRIASA-N 322.493 5.131 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)cc(F)c1F 709236005 XLWLUUKBCVUDGP-OAHLLOKOSA-N 304.808 5.792 30 10 DKEE CC1(C)CCCCC[C@@H]1Nc1cc(Br)cc(C#N)c1 718964567 BUMVWOWAUAYMCH-HNNXBMFYSA-N 321.262 5.092 30 10 DKEE CN(CCCCCCCCCS)CC1(C)CC(F)(F)C1 720703095 PKFJSGVDSIZKFM-UHFFFAOYSA-N 307.494 5.014 30 10 DKEE Cc1ccc(CN(Cc2ccccc2)C2CCCCC2)cc1C#N 1946853519 BQVPSEHMFOWPCJ-UHFFFAOYSA-N 318.464 5.202 30 10 DKEE C#C[C@@H](c1ccccc1)N(Cc1ccccc1)C1CCCCC1 1990746852 DAUGELKQBFZYRK-QFIPXVFZSA-N 303.449 5.196 30 10 DKEE C=CCCCCNc1c(Cl)cc(Cl)cc1Br 1993997217 RBDIMVGOQMDSGV-UHFFFAOYSA-N 323.061 5.524 30 10 DKEE C=C([C@@H](NCCC)c1scc(Cl)c1Cl)C(C)(C)C 2035420359 RCHRKRVDZCRZHP-GFCCVEGCSA-N 306.302 5.698 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)s1 2038535474 FFDUXMAWEJNOGA-LLVKDONJSA-N 309.306 5.310 30 10 DKEE O=C(C=Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 2039908445 GSQGUMFXFLWUJU-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE N#Cc1ccc(C=C(C(=O)c2cccs2)c2cccs2)cc1 2040503222 PMFLCGQZODOSJO-UHFFFAOYSA-N 321.426 5.105 30 10 DKEE C=C1C[C@H]1C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045721951 QWPFUXHQRFGWJV-CABZTGNLSA-N 304.648 5.264 30 10 DKEE Cc1cc(Br)cc(Oc2ccc(C#N)cc2Cl)c1 2049634098 CODAJDNDYUSDCD-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE N#C[C@@]1(CCc2cc(Cl)cc(Cl)c2)CCC(F)(F)C1 2090835029 VCDXHQRBEFJGDM-ZDUSSCGKSA-N 304.167 5.255 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cccc(Cl)c1Cl 2102106431 MTRKSDNCQXJVAS-MLGOLLRUSA-N 300.273 5.636 30 10 DKEE C=CCCCCCCN[C@H](C)c1ccc(C)c(Br)c1 2105781513 XDBJWYWLCNLSLR-OAHLLOKOSA-N 324.306 5.545 30 10 DKEE CCCC[C@](C#N)(CC)[C@](C)(O)c1cc(Cl)sc1Cl 2108209392 RXSIJVOACVYLLF-KGLIPLIRSA-N 320.285 5.373 30 10 DKEE Cc1cc(Br)cc(C(=O)C2=CC[C@@H](C(C)C)CC2)c1 2125179578 CKZJULQSDJCACN-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE Cc1cccc(Br)c1C(=O)C1=CC[C@H](C(C)C)CC1 2125180410 KKIZCOAWXDFIOD-ZDUSSCGKSA-N 321.258 5.323 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1cscc1Cl 2207416790 YTMFAQWCMNPMIA-QGZVFWFLSA-N 313.938 6.359 30 10 DKEE C[C@@H](NCCC#CC(C)(C)C)c1cc(Cl)sc1Cl 2222835252 OJFZPCGZLYSJPK-SNVBAGLBSA-N 304.286 5.145 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1 2227284432 BLRFVLDFCBEOCL-MRXNPFEDSA-N 300.273 5.910 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)cc(Cl)c1 2231922755 FSFHXKYTYDSQKR-CYBMUJFWSA-N 302.289 6.544 30 10 DKEE N#Cc1sccc1CSc1cc(Cl)cc(Cl)c1 2252636147 UUDGPLKUAAFBAJ-UHFFFAOYSA-N 300.235 5.219 30 10 DKEE Cc1c(Cl)cccc1Oc1c(Br)cccc1C#N 2257493127 PMBPIJKTIQTVKB-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE Cc1cccc(Oc2cccc(Cl)c2C#N)c1Br 2263767704 ZGQLJLBHFDQAIW-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE FC1(F)CCCC[C@H]1CSCC1(CS)CCCCCC1 2283147936 DADYAXZKAVJGAN-AWEZNQCLSA-N 322.530 5.816 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@@H](F)CC[C@H]1NCC 2287381778 AMYDGAVLKZOJFK-GVDBMIGSSA-N 301.515 5.115 30 10 DKEE CCCCCCC[C@@H](OCCN)c1csc(C(F)F)c1 2294308840 OLFPYUQUIMALRW-CYBMUJFWSA-N 305.434 5.063 30 10 DKEE Cc1cc(N[C@@H](CC#N)c2ccccc2)c(Cl)cc1Cl 2294707408 QIWJKATXAKRWOR-HNNXBMFYSA-N 305.208 5.369 30 10 DKEE C=CCC(CC=C)SCC(=O)c1cc(Cl)sc1Cl 2313695301 LSSIFSQAKJGHPZ-UHFFFAOYSA-N 321.294 5.492 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(SC)cc1 2330290133 UZVXEGOXDUMBDP-UHFFFAOYSA-N 319.857 5.393 30 10 DKEE CC(=NOCc1ccc(Cl)cc1F)c1ccc(C)c(C)c1 2330452018 SQFVTMBLKXRWKQ-UHFFFAOYSA-N 305.780 5.037 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ccc(Br)cc1 2344338183 XHXIMCFPPYXOHA-DLBZAZTESA-N 324.306 5.482 30 10 DKEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2cc(Cl)c(C)cc21 2362303417 VWURVZXRGJREBR-BXUZGUMPSA-N 306.862 5.204 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1c(Cl)cncc1Cl 2364092474 NRIYYKNLKWHSMF-INIZCTEOSA-N 313.272 5.198 30 10 DKEE C#CCCCCCCNC(c1cccs1)c1cccs1 2364152172 STWCLYSGMDPQAI-UHFFFAOYSA-N 303.496 5.072 30 10 DKEE CCCN[C@H](C#CC(C)(C)C)c1ccc(Cl)c(Cl)c1C 2364413690 BKPGHECHSHKDRS-OAHLLOKOSA-N 312.284 5.392 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccccc1C)[C@H]1CC=C[C@H]21 14478924 RTCFHAXKLLFYML-BBTUJRGHSA-N 317.432 5.386 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)cc1)N2 20692339 OUGFPSJRZJLGPU-KNKQGSTJSA-N 317.432 5.386 30 10 DKEE N/C(=N\c1c(Cl)cc(Cl)cc1Cl)C1CCCCC1 62988050 FLOGUOMOFXENSU-UHFFFAOYSA-N 305.636 5.216 30 10 DKEE CC(C)(C)c1cc(-c2ccc(Cl)cc2)c(C#N)c(Cl)n1 83202979 LONKVFYFJJEWAH-UHFFFAOYSA-N 305.208 5.225 30 10 DKEE [N-]=[N+]=Nc1ccc(/C=C\C(=O)/C=C\c2ccc(N=[N+]=[N-])cc2)cc1 97406719 YQPDFPOALLAYGO-CBIKUMSCSA-N 316.324 5.866 30 10 DKEE CCCCCCCCCCn1c(-c2ccco2)nc2ccccc21 102193691 NITXEGFLYCYNSJ-UHFFFAOYSA-N 324.468 6.437 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2cc(C)cc(C)c2)cc1 103029114 RXSZEPHRMJCYJN-KHPPLWFESA-N 323.436 5.291 30 10 DKEE CCCCCCC[C@@](C)(NCCC)c1nc2c(s1)CCC2 109690454 BJVUYKAWUFUXJF-GOSISDBHSA-N 308.535 5.207 30 10 DKEE CCCCCCCNc1c(Cl)cc(Cl)c2c1N=S=N2 109892742 WUXPLVCCTNJDAM-UHFFFAOYSA-N 318.273 6.102 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1c(Cl)cc(F)cc1Cl 123321182 RNKQBRGYWUKVMK-NOZJJQNGSA-N 301.192 5.017 30 10 DKEE CCCCCCCC/C=C/CCCCCCCCCC(N)=O 137603709 LBHQTVBKPMHICN-MDZDMXLPSA-N 309.538 6.289 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2ccc(Cl)cc2F)CC1 164663900 UIHPUEXPWJLLCD-UHFFFAOYSA-N 307.840 5.768 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 168240681 MIIGTJBTXKDGNZ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1C 212573307 OKLJBNQSZNEJCA-VURMDHGXSA-N 305.204 5.506 30 10 DKEE CCCCCCCC[C@@H](Cc1nc(C)c(C)s1)NCCC 228883160 PXAMXJGQHZBYEC-KRWDZBQOSA-N 310.551 5.421 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1cc(Cl)c(F)c(Cl)c1 232035633 XGLYBHDBDIGGTI-NOZJJQNGSA-N 301.192 5.017 30 10 DKEE Clc1c2ccccc2c(C=NN2CCCCC2)c2ccccc12 254824205 IHZXYFBZGNIELF-UHFFFAOYSA-N 322.839 5.466 30 10 DKEE CCCCCCCCCC[C@@H](NC)[C@H](C)OCc1ccccc1 404548551 OBYSGEXPHYAFDS-PZJWPPBQSA-N 319.533 5.711 30 10 DKEE Fc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1 514255415 HQGMIAHKHUTJRS-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE CCSc1cccc(Oc2cc(F)cc(Cl)c2)c1C#N 703730833 DRQQJLADHZWLND-UHFFFAOYSA-N 307.777 5.255 30 10 DKEE CCCCCCCCC[C@@H](O)c1oc(Br)cc1C 715761463 MEWQVGCYXBUQSH-CYBMUJFWSA-N 317.267 5.525 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1ccc(Br)cc1 1879648288 UYMPIPLQRAFLEM-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=C[C@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)C1CCC1 1892935022 UMANMHDXFHYHQK-RNCFNFMXSA-N 302.220 5.138 30 10 DKEE CC1(C)CC[C@@]1(C#N)Cc1sc(Cl)cc1Br 1903672830 FEJPBCVLUKEIJY-LBPRGKRZSA-N 318.667 5.036 30 10 DKEE CCCCCCCCCN[C@H]1CC[C@@H]1OCc1ccccc1 1934913071 XQSBHVXMXQQKKM-PMACEKPBSA-N 303.490 5.074 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCC[C@H](C)C1 1980285034 CUMGNTMFWJQFCV-IUVQAAGXSA-N 322.493 5.131 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@@H]1CCCC(C)(C)C1 1980285587 IERQFOZFLGHYQN-DNVCBOLYSA-N 322.493 5.131 30 10 DKEE C=CCCCCCCCCC[C@@H](N)[C@H](C)OCc1ccccc1 1995328576 STNYYIUMQIKFNX-PZJWPPBQSA-N 317.517 5.616 30 10 DKEE C=C([C@H](NCC)c1cccc(Br)c1C)C(C)(C)C 2035417878 JJDUQMOMBDWYLM-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE CCCCCCCCOc1nc(Cl)c([C@@H](C)NCC)s1 2155322684 VIEUXORBMOQCBK-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE C=C1CCC(N[C@H](c2ccco2)c2ccc(Cl)s2)CC1 2157442843 HUYNJWDKZMCCQP-MRXNPFEDSA-N 307.846 5.172 30 10 DKEE C#CCCCCC[C@H](NCC)c1ccsc1C(F)(F)F 2157626334 IQASKCKMHWSWNI-ZDUSSCGKSA-N 303.393 5.001 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1Cl 2227300194 FHICVADDLHROTD-CQSZACIVSA-N 322.707 6.397 30 10 DKEE CC1(CSC[C@H](CS)C2CCC2)CC(C(F)(F)F)C1 2271691488 FNNNWTMILWJFSK-HIFPTAJRSA-N 312.466 5.044 30 10 DKEE C=C(C)CCCCOc1ccc2cc(Br)ccc2c1 2271782599 YXFZCAMBKHCASN-UHFFFAOYSA-N 319.242 5.728 30 10 DKEE CC[C@@]1(C)CCSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277453984 JNGJUEYJTWJJNF-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE C=CCCCCCCCSCCNCc1sccc1C 2287077534 DMWBJRFBNKCHNL-UHFFFAOYSA-N 311.560 5.406 30 10 DKEE C=CCCCCOc1c(Cl)cc(C[C@@H](N)CC)cc1Cl 2296271756 GZIOWGZNSYWWDH-ZDUSSCGKSA-N 316.272 5.008 30 10 DKEE CCOc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1Cl 2323943816 VAGJNXAVLVJNAQ-UHFFFAOYSA-N 314.812 5.252 30 10 DKEE CC[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1ccc(C)cc1)C2=O 2324714490 SKVPLPSLHKDYLQ-CQSZACIVSA-N 322.404 5.097 30 10 DKEE C=C([C@H](NCC)c1ccc(Cl)c(Cl)c1C)[Si](C)(C)C 2339147783 AGUGSTRNDOEIHK-HNNXBMFYSA-N 316.348 5.386 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2344377593 DKVZFWMXRKCDBR-CQSZACIVSA-N 320.691 5.900 30 10 DKEE CCCCCCCCC(=O)Nc1c(Cl)cc(N)cc1Cl 2353865413 BMVJUPJMYPDYKO-UHFFFAOYSA-N 317.260 5.265 30 10 DKEE CC1(C)N(CCCCCCCCCS)CCCC1(F)F 2362189631 FCDMSRPDNGPBHJ-UHFFFAOYSA-N 307.494 5.157 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(Cl)cc(Cl)c1F 2362233834 AZJYILNARXXOEK-RWSFTLGLSA-N 316.247 5.528 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2F)C1 37154585 JFFDGWKPCGUGMN-JJRVBVJISA-N 305.462 5.662 30 10 DKEE N#C[C@@H](C(=O)c1csc2ccccc12)c1ccccc1Cl 44268188 LHVOMVVWEYOZRZ-CYBMUJFWSA-N 311.793 5.045 30 10 DKEE C[C@H](N[C@H](CC#N)c1ccccc1)c1ccc(Cl)cc1Cl 55015433 ZZTWZZANYRZLNS-YVEFUNNKSA-N 319.235 5.299 30 10 DKEE CCCCCCCCCCCCCCCCN[C@@H](C)C(=O)O 59337872 NDHKAEBPGBKCIO-SFHVURJKSA-N 313.526 5.530 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc2cccc(Br)c2o1 97284192 VQHMHADUMPYMFR-AWEZNQCLSA-N 322.246 5.202 30 10 DKEE N#C[C@@H](C(=O)c1cc2sccc2s1)c1cccc(Cl)c1 123590974 XBUSUWSRAYJXMD-LLVKDONJSA-N 317.822 5.106 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cc2c(s1)CCCC2 129362673 SGNJKSOJEVKMCZ-NSHDSACASA-N 316.857 5.325 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc2cc(F)ccc2s1 140422558 LLKDPHZTMIOKRX-MRXNPFEDSA-N 307.478 6.052 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(OC)cc1Cl 164222017 DSHNKFSRYMGFFC-HNNXBMFYSA-N 318.288 5.752 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(C)ccc1Br 168363771 HKUNHBHNGKEQDM-MRXNPFEDSA-N 313.279 5.542 30 10 DKEE Fc1ccc(C=Nc2ccc(N=Nc3ccccc3)cc2)cc1 254799715 IQABMRHURNFYRX-UHFFFAOYSA-N 303.340 5.992 30 10 DKEE N#C[C@@H](CCC1CCCCC1)Nc1cccc(Br)c1 395178358 CXJMBHSBRVOQKF-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1-c1ccccc1C(F)(F)F 514260954 YXAQOSLOXLYJQF-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE N#Cc1cc(NCCCC2CCCCC2)ccc1Br 690198263 CUEXKKFYAXGQST-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CCCCCC[C@@H](N)c1cc(C(F)(F)F)ccc1Cl 695044661 FLQDHOGHTPVKJO-CQSZACIVSA-N 305.771 5.495 30 10 DKEE C=CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1 1874578337 IOGVIMHZXKIGHE-BUHFOSPRSA-N 314.384 5.301 30 10 DKEE CCCCCCCC(=O)c1csc(C)c1Br 1902843936 NOKNCZFNSZQPMQ-UHFFFAOYSA-N 303.265 5.362 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(OCc2ccccc2)c1 1903201412 NAGFSDXHWMPWER-SFTDATJTSA-N 310.437 5.291 30 10 DKEE CCCCCCCCC[S@](=N)(=O)c1ccc(Cl)cc1 1917853110 SXUNZFBMBMWHND-IBGZPJMESA-N 301.883 5.496 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](N(Cc2ccccc2)C2CCC2)C1 1946842977 UFURHMQAEAKQFB-QKNQBKEWSA-N 324.512 5.396 30 10 DKEE CC(C)(C)[C@@H]1CCc2sc([C@H](C#N)C(F)(F)F)cc2C1 1952641695 DNIMBDJUOBEXBI-MNOVXSKESA-N 301.377 5.069 30 10 DKEE C=CCCCC[C@@H](N)c1cc(C)ccc1NC(=O)OC(C)(C)C 1984512860 YANQUAVNNVCYSU-MRXNPFEDSA-N 318.461 5.088 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(F)cc1C#N)C(C)(C)C 2019245803 CRJUKLTYESQNAQ-MRXNPFEDSA-N 324.443 5.134 30 10 DKEE C#CCCCCCN[C@H](C)c1ccc(OCc2ccccc2)cc1 2025722539 LKOCJZGDALBUDX-LJQANCHMSA-N 321.464 5.110 30 10 DKEE C=CCCCCCCCCC(=O)c1cnn(Cc2ccccc2)c1 2026282266 PGKHJJWDQBSXLT-UHFFFAOYSA-N 324.468 5.421 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCCC)c1scc(Cl)c1Cl 2076091505 JFDSJQBVLNVLFO-ZYHUDNBSSA-N 304.286 5.145 30 10 DKEE C=CCCCCCCNc1ccc(CC)cc1Br 2085852797 VVWFCEBXWWXWQP-UHFFFAOYSA-N 310.279 5.560 30 10 DKEE C=CCCCCCCCC[C@@H](NC)c1cc(Cl)ns1 2142435193 NRIUQXPWIDHPOY-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE CCCCCCCCCCCC(=O)c1cc(Cl)sc1C 2154434035 IUQDWWBQVXMEPG-UHFFFAOYSA-N 314.922 6.814 30 10 DKEE N#CC[C@@H](Nc1cc(F)c(Cl)cc1Cl)c1ccccc1 2203758209 XMBPJRVPKWEHNG-CQSZACIVSA-N 309.171 5.199 30 10 DKEE Fc1cc(F)cc(COCCCCCCCCCS)c1 2204370101 JCQLBVIFEYHAKD-UHFFFAOYSA-N 302.430 5.142 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1ccc(Br)o1 2220083973 QXENITNVFINJJY-OAHLLOKOSA-N 314.267 5.133 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccsc1C(F)(F)F 2240624722 AXXVCSQFGOIFOV-AWEZNQCLSA-N 307.425 5.691 30 10 DKEE CCCCCCCC(=O)c1cc(CC)c(Br)s1 2248000901 JBIFUDZMPKOHPI-UHFFFAOYSA-N 317.292 5.616 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(Cl)cc1Br 2250134043 UHLJXRFVMOGRHP-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE Cc1c(Br)sc(C(=O)C=Cc2ccccc2)c1C 2254693927 VUPPZBKGTPERQG-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE C=C([C@@H](NCC)c1cc(Cl)c(OC)cc1Cl)C(C)(C)C 2281541037 RIYFWLYPSYPVOB-OAHLLOKOSA-N 316.272 5.255 30 10 DKEE C=CCC(CC=C)[C@](C)(N)c1ccc(OCc2ccccc2)cc1 2301063735 WVSOZBOYKYTWIE-QFIPXVFZSA-N 321.464 5.208 30 10 DKEE FC1(F)C[C@]1(CS)CSc1cc(Cl)cc(Cl)c1 2306950079 SWTRSTGJKYJPRT-JTQLQIEISA-N 315.237 5.041 30 10 DKEE CCCOc1cccc(C=CC(=O)c2ccccc2Cl)c1 2323092588 LABXBZSBWLBJTF-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE C=CCC(CC=C)Sc1cc(C(F)(F)F)cc(Cl)n1 2335180710 LTDMKNUBYKMYKP-UHFFFAOYSA-N 307.768 5.367 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Cl)c(Cl)cc1C 2344374430 IBZIVXCKLXSAIY-CVEARBPZSA-N 300.273 5.555 30 10 DKEE Cc1c(Cl)ccc(-c2csc(C(C)(C)C#N)n2)c1Cl 2353066083 LRPWUKANTKKNMH-UHFFFAOYSA-N 311.237 5.227 30 10 DKEE C=CCCCCC[C@@](C)(O)c1ccc(Cl)c(C)c1Cl 2353209160 ZEHBAYRFDWFZJE-MRXNPFEDSA-N 301.257 5.646 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1ccc(Cl)c(Cl)c1C)NC 2370495256 BBLQCQURFDVCOW-RDJZCZTQSA-N 314.300 5.425 30 10 DKEE CC1(C)CC(CS)(CSC23CC4CC(CC(C4)C2)C3)C1 2371132654 DYBCMFCEPRIRDN-UHFFFAOYSA-N 310.572 5.425 30 10 DKEE C=CCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 71277006 IOFTUQXGUUQSSW-AWEZNQCLSA-N 300.273 5.260 30 10 DKEE CCCC(CS)(CCC)CN(C)Cc1ccccc1Cl 94581501 HEQNRJUHMZVHAB-UHFFFAOYSA-N 313.938 5.288 30 10 DKEE CCCCCCCOc1ccc(NCc2cccc(C)c2)cc1 100033511 HKDSTCKGALCDAB-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccccc1Br 103936364 HCFYNYBFFHPKGW-HNNXBMFYSA-N 313.279 5.103 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1c(Cl)ccc(F)c1Cl 109945397 AOACTWOAJSSDDB-JTQLQIEISA-N 323.198 5.486 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1ccc(F)c(C(F)(F)F)c1 110254719 VUYZBJOTMCSJNT-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)cc2F)cc1C(F)(F)F 110255753 ALYNRAQMHLTGLG-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCC[C@H](O)Cc1ccc(F)cc1Cl 112887771 ATSRTGBKNXMOQQ-INIZCTEOSA-N 300.845 5.523 30 10 DKEE N#Cc1c(Cl)cccc1OCc1ccc(Cl)cc1Cl 128929300 PIVQBRSKSXADKF-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)c(Cl)c1 164714332 BYGWPMDHXJHQHZ-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1c(Cl)cccc1Cl 387388689 AJLWXADNQLXNEZ-MRXNPFEDSA-N 316.272 5.015 30 10 DKEE CCCCCCCC[C@H](Cc1csc(Cl)c1)NCC 393574925 OTIDLCSELVRDMG-OAHLLOKOSA-N 301.927 5.673 30 10 DKEE C#CCCCCCC(=O)c1cccc(OCc2ccccc2)c1 686708559 IQMXIYPRLDAATI-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC[C@H]1C(C)C 698830755 XJETVMGERBKELK-QFBILLFUSA-N 322.493 5.132 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC(C)(C)CC1 698848907 CRMYLIACFORTGQ-LJQANCHMSA-N 322.493 5.132 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1ccc(Cl)cc1C(F)(F)F 712554710 UYAFCMALXYELTI-GFCCVEGCSA-N 312.162 5.152 30 10 DKEE Cc1cccc(N=C2NC3(CCCCCC3)CS2)c1Cl 713236038 HTQOZAZLWQIGLC-UHFFFAOYSA-N 308.878 5.065 30 10 DKEE N#Cc1ccc(Cn2ccc3c(C4CCCCC4)nccc32)cc1 821286574 XYPSTWUIHLZVCS-UHFFFAOYSA-N 315.420 5.004 30 10 DKEE C=CCCCCCC(=O)c1ccc(Br)c(F)c1C 829196805 NDMYISGKDMPEGE-UHFFFAOYSA-N 313.210 5.216 30 10 DKEE COc1ccc(C=Nc2c(C)cc(C)cc2C)c2ccccc12 1084147675 DKTQDYXWLUSCKY-UHFFFAOYSA-N 303.405 5.524 30 10 DKEE CCCCCCCCC(=O)Nc1cc(-c2ccc(C)cc2)no1 1873459428 KPWGISJGDUBLNR-UHFFFAOYSA-N 314.429 5.339 30 10 DKEE C=C1CCC(C[C@](C)(O)c2ccc(C)c(Br)c2)CC1 1886404539 QRFLPKBIUOEYJR-KRWDZBQOSA-N 323.274 5.102 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)ccc2Br)CCCC12CC2 2053362970 AUSZEKYEZYBFTF-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(-c3ccc(C)cc3)o2)cc1 2053467683 VQBFAYRUKOWPKI-UHFFFAOYSA-N 302.373 5.460 30 10 DKEE CCC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)cc1 2060405707 BLCPUWBGHYLKEW-FPYGCLRLSA-N 318.775 5.050 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](CC)c1ccc(C)cc1C 2070156532 GAGICUTVAQQJPF-JOCHJYFZSA-N 314.432 5.148 30 10 DKEE C=CCCCCCCCC(=O)c1ccccc1Br 2085844020 IOLQVEXHCWZMDN-UHFFFAOYSA-N 309.247 5.549 30 10 DKEE CCc1c(-c2cc3sc(C)cc3s2)sc(C#N)c1N 2100322940 NTHFGOSCSRCNGL-UHFFFAOYSA-N 304.465 5.016 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146763684 PLLRZJBPVBWOMX-IINYFYTJSA-N 305.771 5.222 30 10 DKEE CCSc1cccc(N[C@@H](C)c2sccc2C)c1C#N 2151700207 YCUWWGUWCBTISS-LBPRGKRZSA-N 302.468 5.213 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H](c1ccco1)c1ccc(Cl)s1 2152865726 QEHACLNVMVQHBK-MLGOLLRUSA-N 309.862 5.418 30 10 DKEE CCCCCCCCC[C@H](N)c1cc2sc(C)cc2s1 2156562148 DZYOKJYSFYBDAL-AWEZNQCLSA-N 309.544 6.412 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(C(F)(F)F)cs2)C1 2161224839 DMXZDNRHLKVWBW-BXUZGUMPSA-N 304.377 5.095 30 10 DKEE CC#CCC[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164167602 DMVHQYDTTFKJEL-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CC1(C[C@@H](CSc2cccc(Cl)c2)NCC)CCC1 2168022692 HKNIGURWXMKIFK-HNNXBMFYSA-N 309.906 5.157 30 10 DKEE C=CC1(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)CCCCC1 2189519901 ZMSIMPLFVVVFPC-ZDUSSCGKSA-N 312.284 5.781 30 10 DKEE C=CCSc1ccccc1N[C@H](C1CCC1)C(F)(F)F 2197817839 NTLCKXCWKYQFGK-CQSZACIVSA-N 301.377 5.108 30 10 DKEE C=CCCCCCCCN1CCC[C@@H](OCc2ccccc2)C1 2211239277 MBNINQVBHNTWGU-OAQYLSRUSA-N 315.501 5.194 30 10 DKEE CCCCCCCC[C@@](C)(O)c1sc(Cl)nc1Cl 2223827591 AWMSZBJEAYZSSR-CYBMUJFWSA-N 310.290 5.408 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1scnc1Cl 2227274240 JTTKRYOOYFYZCV-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE CCCCCCCCCOC(=O)c1nc(Cl)ccc1Cl 2239549917 ADGWDGKWWFQEAL-UHFFFAOYSA-N 318.244 5.296 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(Cl)c(C)cc1Cl 2240655203 ZXELPLWPEMXLSA-CQSZACIVSA-N 316.316 6.853 30 10 DKEE C=C(Br)CCn1ccc2cc(Cl)c(Cl)cc21 2243570887 VMZYWDQXSRRRCW-UHFFFAOYSA-N 319.029 5.247 30 10 DKEE Cc1cc(NCc2cc(Cl)sc2Cl)cc(C)c1C#N 2265859585 WDEUCSAQSVLUQT-UHFFFAOYSA-N 311.237 5.156 30 10 DKEE C=CCCCCCC[C@H](OCCN)c1cc(Cl)sc1C 2294005681 GGDQXWQRPYKHLH-HNNXBMFYSA-N 315.910 5.253 30 10 DKEE Cc1ccc(C(=O)C=CSc2c(Cl)cccc2Cl)cc1 2297506387 SJAQWDUYYJCRHC-UHFFFAOYSA-N 323.244 5.791 30 10 DKEE Cc1ccc(C(=O)C=CNc2ccc(Cl)cc2Cl)cc1 2297532393 MJBITRPMEGQAQH-UHFFFAOYSA-N 306.192 5.110 30 10 DKEE Oc1ccc2ccccc2c1C(=Nc1ccccc1)c1ccccc1 2297719736 QYWDKWVJUNCOKP-UHFFFAOYSA-N 323.395 5.715 30 10 DKEE CC(C)(C)[C@](C)(CS)COc1c(Cl)cccc1Cl 2327099493 IQGDZCKGJBKISQ-AWEZNQCLSA-N 307.286 5.354 30 10 DKEE C=CC[C@@H]1CCC[C@H]1NCc1cc(-c2cccs2)cs1 2362240170 OEUSVXYBXVUFLZ-CZUORRHYSA-N 303.496 5.311 30 10 DKEE CCCN[C@@H](C#Cc1cccs1)c1cc(Cl)cc(Cl)c1 2363550249 JVBAUYFLVBAMGG-INIZCTEOSA-N 324.276 5.147 30 10 DKEE C=CCC(CC=C)[C@H](Cc1c(Cl)cccc1Cl)NCC 2364073012 WHSVQSOLMBLZEL-KRWDZBQOSA-N 312.284 5.282 30 10 DKEE O=[N+]([O-])c1cc(/N=C/c2cccc3ccccc23)ccc1Cl 288436 QAEUSZWPWXRHBE-YBFXNURJSA-N 310.740 5.152 30 10 DKEE N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 37345254 NOSVOQKHJGFMMJ-AWEZNQCLSA-N 324.594 5.137 30 10 DKEE N#C[C@H](C(=O)c1csc2ccccc12)c1ccc(Cl)cc1 42891334 BDXKDJPDQTVNJP-AWEZNQCLSA-N 311.793 5.045 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(OC)c(Cl)cc1OC 59089765 CPMFWDYICKBSGA-ZDUSSCGKSA-N 313.869 5.518 30 10 DKEE N#Cc1ccc(F)c(CSc2ccc(Cl)c(Cl)c2)c1 88304066 CFWPWPQHENNBJS-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1Cl 96887868 VSCUQIFLNDFYRN-WEVVVXLNSA-N 321.203 5.288 30 10 DKEE Cc1cccc(/C=C2\CCC/C(=C\c3cccc(C)c3)C2=O)c1 104374645 ZZYOFKXXCCXKBI-OZNQKUEASA-N 302.417 5.523 30 10 DKEE C[C@@H](CCS)c1c(Cl)c(Cl)cc(Cl)c1Cl 107502347 GMJGBAZQRLBROM-YFKPBYRVSA-N 304.069 5.724 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(C)cc1Br 158085739 OLBJQUYAHREOBH-INIZCTEOSA-N 312.295 5.379 30 10 DKEE CCCCCCCCNc1cccc(Br)c1C#N 168581730 AVUTVKYANXHJCR-UHFFFAOYSA-N 309.251 5.093 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)cc(Br)c1 232945670 FBFAEJJUCJGFOS-CQSZACIVSA-N 318.686 5.463 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1CS[C@H](C)[C@@H](C)S1 300107069 JYBLIGNOAOZURV-WCVJEAGWSA-N 303.581 5.080 30 10 DKEE C[C@H]1CCCC[C@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698376700 MFDJOERVXDMLIX-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE C#CCCCCCn1ccc2c(OCc3ccccc3)cccc21 720862280 WWJQOZXSTRXYLD-UHFFFAOYSA-N 317.432 5.414 30 10 DKEE Fc1cc(C(F)(F)F)c2c(SC(F)(F)F)csc2c1 725304995 HXWGIEDUWQDIJR-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CC(=Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1084123892 VMTORUWCSRMHEZ-UHFFFAOYSA-N 309.152 5.042 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1ccc(C(C)C)cc1 1874583580 VINIERNEZPFMFB-BUHFOSPRSA-N 308.421 5.495 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C[C@H](C)O 1914967458 XJFUGVULFNMUKB-IBGZPJMESA-N 305.506 5.010 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(Cl)c(C)cc1F 1925892241 RGNXACXJBVIXAV-MRXNPFEDSA-N 300.849 5.043 30 10 DKEE CCCCCCC[C@H](O)C1(C)CCN(Cc2ccccc2)CC1 1939418387 AQRKLLFAEWZJRI-FQEVSTJZSA-N 317.517 5.010 30 10 DKEE C=CCN(Cc1ccccc1)C[C@H]1CCC[C@@H](C(F)(F)F)C1 1962674832 IQBOVXNORPSIQS-DLBZAZTESA-N 311.391 5.043 30 10 DKEE CCCCC#CCC(=O)c1cccc(OCc2ccccc2)c1 1994216579 JETULEJYWGVRIK-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE CCN[C@@H](CC#CC(C)(C)C)c1scc(Cl)c1Cl 2035097516 OACPSJHYOBKLCB-NSHDSACASA-N 304.286 5.145 30 10 DKEE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(C#N)cc1C(C)C 2069976040 GAJHSDDKXUYJTH-UHFFFAOYSA-N 321.346 5.010 30 10 DKEE CC[C@@H](Nc1ccc(Br)c(C#N)c1)C1CCCCC1 2102280004 LKVULHHRMJVFET-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CC[C@H]1CCC[C@H](Nc2cc(Br)cc(C#N)c2)CC1 2103205032 HIZFOQKYTNWQIE-WFASDCNBSA-N 321.262 5.092 30 10 DKEE C=CCCCC[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2123089050 ORUIYNSWCAVWPA-CYBMUJFWSA-N 320.691 6.044 30 10 DKEE CCCCCCCC[C@H](O)c1cc(Cl)c(Cl)cc1Cl 2136600921 SAMACADUZLGCSM-HNNXBMFYSA-N 323.691 6.431 30 10 DKEE C=C1CC(CNCC(C)C)(Cc2ccc(Cl)c(Cl)c2)C1 2159591334 JJHIENRNCUUXJD-UHFFFAOYSA-N 312.284 5.118 30 10 DKEE CC[C@](O)(c1ccc(Cl)c(Cl)c1)[C@@](C#N)(CC)C(C)C 2184378248 KCPHEYZNVICLKU-CVEARBPZSA-N 314.256 5.167 30 10 DKEE CCCCCC#CC[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 2203778043 AHGIIBGDMQFFOY-KRWDZBQOSA-N 313.268 5.565 30 10 DKEE Cc1ccc(Br)cc1CCC=CC#CC(C)(C)C 2256696262 JRDCNSRWDMWLOF-UHFFFAOYSA-N 305.259 5.296 30 10 DKEE C=C[C@H](C)C[C@H](NCCC)c1ccc(C)c(Br)c1 2263748644 CXDXZIADRJFQHH-LRDDRELGSA-N 310.279 5.010 30 10 DKEE C=C(C)CCCC[C@H](NC)c1cc(Cl)c(Cl)cc1C 2271837510 UVLSJLUZFFUZHU-INIZCTEOSA-N 300.273 5.699 30 10 DKEE CC(C)(C)C#CC=CC[C@](C)(O)c1ccc(Cl)cc1Cl 2284071550 ULBAOINYYPYLGJ-KRWDZBQOSA-N 311.252 5.197 30 10 DKEE C=CCCCCCCC[C@@H](O)c1nc(C(F)(F)F)cs1 2296065667 BNKJZVJCZYSHSN-LLVKDONJSA-N 307.381 5.112 30 10 DKEE Cc1ccn2c(N=Nc3cccc(C#N)c3)c(C(C)C)nc2c1 2320768878 OKGNDDADISGXHQ-UHFFFAOYSA-N 303.369 5.053 30 10 DKEE Cc1ccc(NCC#CC2CCCCC2)c(Br)c1C 2336623310 IZDKNVABQZWQCL-UHFFFAOYSA-N 320.274 5.062 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OCC1(CS)CC(C)(C)C1 2344994274 URGDHDCEOLYZSI-UHFFFAOYSA-N 319.297 5.417 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2349797971 SYSJAYZIJNMDKC-OAHLLOKOSA-N 304.236 5.659 30 10 DKEE CCCCCCC[C@](C)(N)c1c(Cl)cc(C)cc1Cl 2353114959 XDQLURHVKAEOKP-INIZCTEOSA-N 302.289 5.836 30 10 DKEE C(=N\[C@@H](c1ccccc1)c1cccc2ccccc12)\c1ccccc1 1872621 VSYWKRJCCHEEMI-BUFPPZMGSA-N 321.423 6.048 30 10 DKEE Cc1ccsc1/C=C/C(=O)c1cc2cc(Cl)ccc2o1 83201517 GFYITFXJJPBHCH-HWKANZROSA-N 302.782 5.352 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cccc(Br)c2)C1 87972806 RNEHCXNLDAJKNB-BBRMVZONSA-N 306.247 5.102 30 10 DKEE CCCCCCCc1c(C)nn(C(=O)C2CCCCC2)c1C 100458510 HGGJNUIGCWFTKL-UHFFFAOYSA-N 304.478 5.233 30 10 DKEE CCCCCCC[C@@H](Nc1ccccc1)n1nnc2ccccc21 102994272 UNYASJCWXIJQNJ-FQEVSTJZSA-N 322.456 5.403 30 10 DKEE CCCCCCCCOCc1sccc1Br 109315231 YYROFMAPENLSKE-UHFFFAOYSA-N 305.281 5.388 30 10 DKEE CCCCCCCCCC(=O)c1cccc(Br)c1 112883537 JAJXNMJSPQWAEW-UHFFFAOYSA-N 311.263 5.773 30 10 DKEE CCCCCCCCCCCCC(=O)CS[C@H](C)CC 115645813 ALPVNKPFDZAZMT-QGZVFWFLSA-N 300.552 6.398 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1cc(C)sc1C 115653328 LXDYLTCSFJJKGF-LJQANCHMSA-N 310.547 6.709 30 10 DKEE CCCCCCCCC[C@@H](N)CSc1ccc(Cl)cc1 116836443 VCIBPMVJSRESFF-MRXNPFEDSA-N 313.938 5.900 30 10 DKEE CCCCCCCCn1cc(CCN)c2ccc(Cl)cc21 164134635 KNHJCZHBGCSUCO-UHFFFAOYSA-N 306.881 5.156 30 10 DKEE Cc1cc(C#N)ccc1Nc1cc(Cl)c(Cl)cc1Cl 203463174 DHQWRVAMCYKYPF-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCCCCCC#CCCCO[C@H]1CCCCO1 207139434 OQZJRWQYTAVFSG-OAQYLSRUSA-N 322.533 6.234 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(F)cc2F)C1 222274071 RFDPTEORPZOUPI-OZVIIMIRSA-N 309.425 5.411 30 10 DKEE CC(C)(C)[C@@H]1C/C(=C/c2ccco2)C(=O)/C(=C/c2ccco2)C1 245310290 IALQBQOSFNCQSO-YNFGUSTMSA-N 310.393 5.365 30 10 DKEE Clc1ccc(C=Nc2ccc(Nc3ccccc3)cc2)cc1 252460683 HJXJEJOFDNJFLI-UHFFFAOYSA-N 306.796 5.834 30 10 DKEE CCOc1ccc2ccccc2c1C=Nc1oc(C)c(C)c1C#N 254400625 KXAVUDXYZGNJLI-UHFFFAOYSA-N 318.376 5.071 30 10 DKEE CCCC[C@@H](CC)C[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 304321648 CENSNXJWGKUFMR-VQIMIIECSA-N 322.493 5.134 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(Cc2ccc(C)c(Br)c2)C1 314199839 ONYAZFKZBQKCMR-CJNGLKHVSA-N 306.247 5.020 30 10 DKEE C=CCCCCCC(=O)c1cccc(OCc2ccccc2)c1 381727161 NLMCOWYNNMLHKK-UHFFFAOYSA-N 308.421 5.585 30 10 DKEE C=CC[C@@H](CC)Nc1ccc(Br)cc1C(F)(F)F 393812140 XPELGXGQNPXELL-SNVBAGLBSA-N 322.168 5.235 30 10 DKEE CCC[C@](C#N)([C@H]1CC1(C)C)N(C(=O)OC(C)(C)C)[C@@H](C)CC 698421469 FJZWAZVSWODHHC-DOXZYTNZSA-N 322.493 5.131 30 10 DKEE CCCCCCCCC[C@H](N)c1ncsc1Br 698699226 NKOBPWNNTVJPTC-NSHDSACASA-N 319.312 5.046 30 10 DKEE C[C@@H]1CCCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698890402 INBINDMNEREHNQ-BEFAXECRSA-N 320.477 5.029 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1ccc(Br)c(C)c1 715777228 ZSKKXZMYZMQBQM-WBMJQRKESA-N 310.279 5.010 30 10 DKEE C=C1CCC(C[C@H](NCC)c2ccc(Cl)cc2Cl)CC1 724615526 HCESEHPDVPQDMF-KRWDZBQOSA-N 312.284 5.781 30 10 DKEE CC(C)[C@H](CC#N)N(Cc1ccccc1)[C@H](C)c1cccs1 1915400498 RAOIZVYQYHYPOC-AEFFLSMTSA-N 312.482 5.250 30 10 DKEE CCCCCCC[S@@](=N)(=O)c1ccc(Cl)cc1Cl 1918078798 GPZYBJJQERGXGR-GOSISDBHSA-N 308.274 5.369 30 10 DKEE C=CC1(CNc2cc(Br)c(Cl)cc2F)CCC1 2003205375 RUMYVKSLVHSICM-UHFFFAOYSA-N 318.617 5.010 30 10 DKEE CSc1c(C(F)(F)F)cc(C(F)F)cc1C(F)(F)F 2060215390 CTYQBIDZJQKAGL-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CCc1ccc(C#N)c(Sc2ccc(Br)cc2)c1 2068516393 QVWZNMUTPSWMOM-UHFFFAOYSA-N 318.239 5.034 30 10 DKEE C=C1CCC(C[C@@](N)(CC)c2ccc(Br)cc2)CC1 2098442391 JMPZIUIFTZYYAN-KRWDZBQOSA-N 322.290 5.150 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 2206803696 WWESWLSKELGCJQ-SECBINFHSA-N 302.723 5.288 30 10 DKEE C=CCCCCCCCCCN=S(=O)(C(C)C)C(C)C 2207382712 VGICHTRHOBKFDN-UHFFFAOYSA-N 301.540 5.578 30 10 DKEE CCCCCCCCCCCCNC[C@@]1(Cl)CC1(C)C 2237980106 WTIOVQBCARAOIW-SFHVURJKSA-N 301.946 5.904 30 10 DKEE C=C(C)CCCCNc1cc(Cl)ccc1Br 2244628434 GOCGKHSFSVXFRR-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=C(C)CCCC[C@H](NCC)C1CC(OCc2ccccc2)C1 2244631184 HHLJATDIFMPSBU-CBNMVNINSA-N 315.501 5.096 30 10 DKEE CCSc1cccc(SC2CC3(CC(C)C3)C2)c1C#N 2288957384 SILGQPIXHMQOJI-UHFFFAOYSA-N 303.496 5.341 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](N)c1cc2sccc2s1 2295507195 RUQOWQZPENZMRJ-HZPDHXFCSA-N 311.516 5.074 30 10 DKEE N#C[C@@]1(CCCc2cc(Cl)cc(Cl)c2)CCCS1 2318657524 GDBLCSQKPFNUBD-CQSZACIVSA-N 300.254 5.105 30 10 DKEE C=CCC(CC=C)Sc1nc(Cl)c([C@@H](C)NCC)s1 2335240016 YVMZLMRMXYVJQT-SNVBAGLBSA-N 316.923 5.080 30 10 DKEE CCCCCCC[C@](C)(S[C@H]1CCC[C@H](C)C1)C(=O)O 2353864437 YARNHUUFQVZFNS-ZOBUZTSGSA-N 300.508 5.502 30 10 DKEE CCCCCCC[C@](C)(Sc1cccc(Cl)c1)C(=O)O 2353867079 ISLFIUCAZKLEQJ-INIZCTEOSA-N 314.878 5.636 30 10 DKEE C=CCC(CC=C)Sc1ccc(CNC2CC2)cc1Cl 2360367758 JFEMBHQGYZUNIA-UHFFFAOYSA-N 307.890 5.205 30 10 DKEE CCCCCCC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2360489488 ONOIRVBASOPRNN-HNNXBMFYSA-N 320.279 6.144 30 10 DKEE C=CC[C@H](O)[C@](CC=C)(c1ccccc1)c1ccc(Cl)cc1 6317510 PYLWLXGQIJJCNM-VQTJNVASSA-N 312.840 5.139 30 10 DKEE Cc1cccc(-c2sc(C#N)c(N)c2-c2cccs2)c1C 52902339 OBGHLPCQAVPYHR-UHFFFAOYSA-N 310.447 5.214 30 10 DKEE N#C[C@H](C(=O)CCC1CCCCC1)c1ccc(F)cc1Cl 62610283 MXHODKRKEZIIAM-HNNXBMFYSA-N 307.796 5.016 30 10 DKEE SC[C@@H](COc1cc(Cl)cc(Cl)c1)c1ccccc1 94584811 CDGPPFHOLBPQCU-GFCCVEGCSA-N 313.249 5.086 30 10 DKEE CCCCCCCCCN(CCC(=O)O)c1ccccc1C 105480735 HWHXHDFDBZZKBB-UHFFFAOYSA-N 305.462 5.027 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(C(F)(F)F)ccc1F 109962076 UOULGIRMQACONK-GFCCVEGCSA-N 305.359 6.005 30 10 DKEE Cc1cccc(CSc2ccc(C#N)c(C(F)(F)F)c2)c1 110354474 YKFDPXAAVNFJBA-UHFFFAOYSA-N 307.340 5.178 30 10 DKEE CCCCCCCCCCCC[C@@]1(O)CCCS[C@@H]1C 122392331 IVDHMIPZDZULSD-QZTJIDSGSA-N 300.552 5.944 30 10 DKEE N#CC1(Cc2cc(Br)cs2)CCCCCCC1 158872221 WMCZPVQOJWIZCE-UHFFFAOYSA-N 312.276 5.307 30 10 DKEE CCCCCCCCN[C@@H](Cc1cccs1)c1cccs1 159141883 VJNSHVHFQULQQR-KRWDZBQOSA-N 321.555 6.044 30 10 DKEE C=CCCCCC[C@H](CCOCc1ccccc1)NCCC 395572161 TXDXGEWHRGLPCJ-HXUWFJFHSA-N 303.490 5.098 30 10 DKEE CCCCCCCC[C@H](NCCC)[C@@H](C)OCc1ccccc1 404354304 AECBSMHBUWMIQI-CTNGQTDRSA-N 319.533 5.711 30 10 DKEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CS1 504528922 JFDOJKGTOKPEKW-IEJRGFGGSA-N 316.510 5.004 30 10 DKEE CC[C@@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698419362 MWAUMTHYJJDXAJ-BEFAXECRSA-N 316.445 5.065 30 10 DKEE CCCCCCCCC[C@@H](O)c1ncsc1Br 698554814 XPCJHNSUSBLUMG-LLVKDONJSA-N 320.296 5.080 30 10 DKEE CCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698916063 NLRYSNJRAZRGSU-KRWDZBQOSA-N 322.836 5.164 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1c(Cl)cccc1C(F)(F)F 715722225 QMQYCNWWOUXRDV-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE CC(C)c1ccc(/C(=N/OCCCc2ccccc2)C2CC2)cc1 821229991 UGUMOKDUJAHVBD-FCQUAONHSA-N 321.464 5.574 30 10 DKEE N#Cc1cccc(-c2cc(Cl)cc(Cl)c2Cl)c1Cl 1848374942 VYDWSQHOXJDYBH-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC(C)c1ccc(C#CCNCc2ccccc2)c(C(C)C)c1 1914562121 ZQGKESWNIVPLQP-UHFFFAOYSA-N 305.465 5.075 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](N(Cc2ccccc2)C2CCCCC2)C1 1946852031 RPIZNZMWORUOII-CBQOVEMMSA-N 324.512 5.540 30 10 DKEE CC=C(CC)C(=O)c1cc(CC)ccc1NC(=O)OC(C)(C)C 1992004709 RSFBQGSLJDXMFS-UHFFFAOYSA-N 317.429 5.135 30 10 DKEE C=CCCCCCCCCC[C@H](COCc1ccccc1)NC 1995325271 IGUDIAXWCCNSLQ-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1cc(Cl)c(Cl)s1 2037462035 WVSMGKZGSJKGFC-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1c(C)cccc1Br 2040534136 POVKVTMXHUGTFW-CZUORRHYSA-N 310.279 5.010 30 10 DKEE C=C(Br)CCN(C)[C@H]1CCCCC12CCCCC2 2047540040 MAZXNPKUBVUJAU-HNNXBMFYSA-N 314.311 5.110 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1c(C)cccc1F 2070130072 DGCSKVHIDZGCOB-FQEVSTJZSA-N 324.443 5.359 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCCCC1(C)C 2117016458 ZAEHDXNDPVDUEN-SUMWQHHRSA-N 320.274 5.663 30 10 DKEE C=CCCCCCCCCCNCc1cc(Cl)ns1 2142430207 CEKSXWDHHCTBKK-UHFFFAOYSA-N 300.899 5.193 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1ccc(Cl)cc1Cl 2146997994 SMHACPDUSTUEKR-INIZCTEOSA-N 317.256 5.347 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1cc(Cl)cc(Cl)c1 2173628645 HVHCLSCMLMXZRG-GOEBONIOSA-N 312.240 5.137 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179259686 QKNFMLBKIXBBOP-CQSZACIVSA-N 305.771 5.366 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCC1)c1cc(Cl)cc(Cl)c1 2203955481 ADBSWPOWNSODEM-OAHLLOKOSA-N 310.224 5.140 30 10 DKEE CCc1ccc(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)s1 2203955656 BVMMNTZXKZFEPZ-CYBMUJFWSA-N 324.232 5.107 30 10 DKEE C=CCCCCCCCCC[C@H](N)C(F)(F)C(F)(F)F 2207405279 RDBKXYJHVZLZNS-LBPRGKRZSA-N 301.343 5.208 30 10 DKEE C=CCCCCCCC[C@@H](O)c1scc(Cl)c1Cl 2220086297 NZBFDARBDFCGAZ-GFCCVEGCSA-N 307.286 6.005 30 10 DKEE CCCCCCCC[C@@](C)(N)c1c(Cl)ccc(F)c1F 2240614270 ZPNGPPWCRGJPDW-MRXNPFEDSA-N 303.824 5.543 30 10 DKEE C=CCCCCC[C@H](O)c1scc(Br)c1Cl 2242655298 BNJOWBSTWUQXSZ-JTQLQIEISA-N 323.683 5.334 30 10 DKEE CCCCC[C@@H](CC)Oc1c(Br)cccc1C#N 2257496469 MNMFIYLYMKRCOI-CYBMUJFWSA-N 310.235 5.058 30 10 DKEE C=CCCCCCCC[C@H](O)c1csc(Cl)c1OC 2268853826 GGXGWKHHGKBQBZ-ZDUSSCGKSA-N 302.867 5.360 30 10 DKEE C=C[C@H](C)CCN[C@@H](c1cccs1)c1ccc(Cl)s1 2273034499 WEKSENZDHCQYCA-NHYWBVRUSA-N 311.903 5.354 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1ccc(Cl)cc1Cl 2289786920 JWXPKJXDHFUESV-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCCC)c1ccc(F)c(Cl)c1 2360199975 DDBQOZSEIDIAFI-MLGOLLRUSA-N 315.885 5.218 30 10 DKEE C=CC[C@@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366806347 SGZAPTSYIXYEBU-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE Cc1cc(C)c([C@H]2Nc3ccc(C#N)cc3[C@H]3C=CC[C@@H]32)c(C)c1 14457661 FOSHDZGXHUQFSB-SPEDKVCISA-N 314.432 5.310 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 14551518 HHJMNLKEPZHJIP-QKLQHJQFSA-N 303.405 5.078 30 10 DKEE CSc1ccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)cc1 14551803 PGFLWAVTLJFTGD-JENIJYKNSA-N 318.445 5.107 30 10 DKEE CC(C)COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 33304782 UBLWXKBLDSACDY-WQRHYEAKSA-N 310.418 5.051 30 10 DKEE N#CC1(c2ccccc2)CC(Nc2cccc(Cl)c2Cl)C1 86036559 DQARKIWLYITBNO-UHFFFAOYSA-N 317.219 5.029 30 10 DKEE CCCC1CCC(C#N)([C@H](O)c2cc(F)cc(Cl)c2)CC1 161408691 VNABGHRAUJHFIC-PTXATLKXSA-N 309.812 5.013 30 10 DKEE C=CCCCC(=O)c1ccc(Br)c(C(F)(F)F)c1 165948846 SFVZQBGCVUVFKR-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE CCCCN(CCCC)c1ccc(C#C[Si](C)(C)C)cc1 196128435 WMKJYNKENIUAFJ-UHFFFAOYSA-N 301.550 5.322 30 10 DKEE CCCc1ccc(Oc2ccc(Br)cc2C#N)cc1 229180752 NEESURVSTDVKFN-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1cc(Cl)sc1Cl 306617668 RHTWHIQAOGMOGR-FPLPWBNLSA-N 319.062 5.090 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1ccc(Cl)cc1Cl 686696625 HTQMMDLBUSUVGS-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE CN(CCCCCCCCCS)CC(C)(C)C(C)(F)F 697310557 KCNVAROJOSLOOU-UHFFFAOYSA-N 309.510 5.260 30 10 DKEE CCC(C#N)(CC)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698922566 ZCCPABWTOMOSNW-UHFFFAOYSA-N 322.836 5.164 30 10 DKEE C=CCCC(C)(C)CNCc1cc(-c2cccs2)cs1 704038056 DZFRCKAGHUBKHD-UHFFFAOYSA-N 305.512 5.559 30 10 DKEE C=CCCCCCn1ccc2c(OCc3ccccc3)cccc21 720929979 ZNYAAKXTMDKFCY-UHFFFAOYSA-N 319.448 5.967 30 10 DKEE FC(F)Oc1cccc2sc(C(F)(F)F)c(C(F)F)c12 725293020 ZIRRQHTWISSIMV-UHFFFAOYSA-N 318.213 5.459 30 10 DKEE CCCCCCCC[S@](=N)(=O)Cc1ccccc1Cl 1917906266 AFOGQWXWEWHMBS-IBGZPJMESA-N 301.883 5.247 30 10 DKEE CCCCCCCC[C@]1(N)CCCN(Cc2ccccc2)CC1 1976796971 SSLFZKAWFXUILF-NRFANRHFSA-N 316.533 5.121 30 10 DKEE SC[C@@H](CSc1ccc(Cl)c(Cl)c1)CC1CC1 2003367638 MUQYJDLMKNUTSF-JTQLQIEISA-N 307.311 5.432 30 10 DKEE C=CCCCCCCN(C)Cc1sccc1Br 2026021266 HEPXEJLAFBOQMW-UHFFFAOYSA-N 316.308 5.079 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(Br)o2)CC1 2039379299 YNIZHFYRIYNXGJ-HNNXBMFYSA-N 310.235 5.085 30 10 DKEE CC[C@H](N[C@H]1CCCC[C@H]1C#N)c1ccc(Cl)c(Cl)c1 2143834822 BJBKLHSHKSNPAZ-RCBQFDQVSA-N 311.256 5.116 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cscc1C(F)(F)F 2158321567 VRFHAHDDUIIASM-SMDDNHRTSA-N 305.409 5.410 30 10 DKEE Cc1cc(CNc2ccc(C(C)(C)C#N)cc2)sc1Cl 2165432801 RIUPWAHIGPBAOF-UHFFFAOYSA-N 304.846 5.123 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(OC)c(Cl)cc1Cl 2203271633 WDPCEBYHXPBJMU-GFCCVEGCSA-N 318.288 6.163 30 10 DKEE C=CCCCCCCCCCC(=O)c1scc(C)c1Cl 2207403726 JYXGXZNKRQRQNX-UHFFFAOYSA-N 312.906 6.590 30 10 DKEE C=CCCCCCCCCSc1nc(C)c(C(=O)O)s1 2207415126 QVOYSENZLICFAV-UHFFFAOYSA-N 313.488 5.159 30 10 DKEE CCCCCCCC[C@H](C)NC1CC(OCc2ccccc2)C1 2212667597 MNDHLYHSFPWWKY-PELRDEGISA-N 317.517 5.463 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1cc(Cl)cs1 2235522439 UJQFLVBNOWETNR-INIZCTEOSA-N 313.938 6.359 30 10 DKEE CC1(C)CC[C@@H]([C@H](C#N)c2ccc(Br)c(F)c2)C1 2259029037 ASBAGRLBYDMFFO-VXGBXAGGSA-N 310.210 5.022 30 10 DKEE CCSc1cccc(SCCC(F)(F)CC)c1C#N 2268413458 LAMIGUIZOVUHQG-UHFFFAOYSA-N 301.427 5.198 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)cc1C 2284809069 GJOBVPVTDKFVSC-MRXNPFEDSA-N 317.304 5.557 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(C(F)(F)F)s1 2295005292 ATXSFBAKUCKRIA-SMDDNHRTSA-N 305.409 5.410 30 10 DKEE C=CCCCOc1c(Cl)cc(CNCC(C)C)cc1Cl 2296257944 POVYECKOWFRCFY-UHFFFAOYSA-N 316.272 5.084 30 10 DKEE C=CCC(CC=C)c1c(F)c(F)c(Br)c(F)c1F 2316721240 SOCHZOXTFRCHHP-UHFFFAOYSA-N 323.127 5.241 30 10 DKEE CC#CCCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NC 2366804882 ZGHRTWDZUYCVIL-KRWDZBQOSA-N 312.284 5.098 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1ccc(Cl)cc1C(F)(F)F 2370497558 POBBHAFNCVUCJC-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1ccsc1C(F)(F)F 2370518345 JZMAWQOTOWBCJT-GFCCVEGCSA-N 305.409 5.410 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 14464842 NLYKBTGKQORCRM-FRQCXROJSA-N 306.796 5.038 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2cc(F)ccc2F)C1 35676262 JCNYMJJWVNPISS-YWPYICTPSA-N 309.425 5.411 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1Cl 37253412 UIOVYOGVUHKMCV-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC(C)(C)C1CCC(C#N)([C@H](O)c2ccccc2Cl)CC1 91881196 OHKGBZBRPIRATD-CRPOECCBSA-N 305.849 5.120 30 10 DKEE CC1CCC(C#N)(Sc2ccc(Br)cc2)CC1 97241658 FSHPAUZHEZSCCD-UHFFFAOYSA-N 310.260 5.014 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3/N=C\c1ccc(F)cc1 102402151 QDHHTYQSCWZWEO-ZIHVZMLCSA-N 306.384 5.112 30 10 DKEE CCCCCCC[C@H](C)N[C@@H](c1ccc(Cl)cc1)C(C)C 109810443 MZBOULCBEGJSMC-QFBILLFUSA-N 309.925 6.376 30 10 DKEE CCCCCCCCCCCCC(=O)CSCC(C)C 115645316 AHBYLAACGJRAEY-UHFFFAOYSA-N 300.552 6.256 30 10 DKEE CSc1cccc(Sc2ccc(C(C)(C)C)cc2)c1C#N 136991874 FJCPRXKYTCIQGC-UHFFFAOYSA-N 313.491 5.729 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1ccc(Cl)s1 160862670 YAJGYUOAPNCIQL-HNNXBMFYSA-N 315.954 6.192 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(C)cc(Br)c1 167713277 BKFWVOUAKPVCCL-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE Cc1[nH]c(=S)c(C#N)c(C)c1Cc1ccc(C(C)(C)C)cc1 212472404 ZOUGCFJAZCUYAS-UHFFFAOYSA-N 310.466 5.121 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1sccc1C)[C@H]1CC=C[C@@H]21 226656673 JSMRUJMQBUJTLD-QOKNQOGYSA-N 323.461 5.448 30 10 DKEE CCCCCCCCC[C@@H](NC)c1ccc(Cl)c(OC)c1 229772381 ZTZIFICEBDXZBK-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE CCCCCCC[C@@](N)(CC)c1cccc(Br)c1 707776944 LPABJHUIGBJUDD-INIZCTEOSA-N 312.295 5.374 30 10 DKEE Clc1cccc(N=C2N[C@@H](C3CCCCC3)CCS2)c1 725116500 VWVUYAVOYAGWQZ-OAHLLOKOSA-N 308.878 5.003 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 1088696581 VKRSDJDZZOLHMX-LLVKDONJSA-N 316.735 5.097 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCC1=CCCCC1)NCC 1901675971 OFRYDTSMRMGOEC-OAQYLSRUSA-N 313.485 5.018 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccc(Br)s1 1919975598 DUIANXONXHNQJK-AWEZNQCLSA-N 319.308 5.469 30 10 DKEE N#CC1([C@H](O)c2c(Cl)ccc(Cl)c2Cl)CCCCC1 1921100250 VACCPEDCFKNKCI-CYBMUJFWSA-N 318.631 5.154 30 10 DKEE C=CCCCCCC(=O)c1scc(C)c1Br 1939865242 HFXLNKWTXQOQCW-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE CC[C@H](C(C)C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1988764425 LNCWHMZFUVFQHK-IAGOWNOFSA-N 316.445 5.002 30 10 DKEE C=C(C)C[C@H](N)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993581344 WLWRYUMDCLPKKF-INIZCTEOSA-N 318.461 5.123 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Br)ccc1C 2102111327 LYBCDXXPDLVFOK-YOEHRIQHSA-N 324.306 5.401 30 10 DKEE CCCCCCCC[C@@H](O)C(=O)c1cc(Cl)sc1C 2142466736 KQPHVXKHLGWBPR-CYBMUJFWSA-N 302.867 5.004 30 10 DKEE CCC1(CC)CSC(=Nc2ccccc2SC(C)C)N1 2158457845 QAEHXACJLQTRSY-UHFFFAOYSA-N 308.516 5.070 30 10 DKEE C=CC1(C[C@H](NCCC)c2cc3sccc3s2)CCC1 2168028365 LVDLCHCRUJJCSE-ZDUSSCGKSA-N 305.512 5.750 30 10 DKEE C=CCCCCCCCCC(=O)c1cnc(Cl)c(Cl)c1 2207413104 IPRDEZCKISDXJZ-UHFFFAOYSA-N 314.256 5.878 30 10 DKEE C=CCCCCCCCC(=O)c1csc(Br)c1 2214622202 MTKVVSCIHHARQW-UHFFFAOYSA-N 315.276 5.610 30 10 DKEE Cc1sc(C(=O)C2=CC[C@@H](C)CC2)c(Br)c1C 2215935263 JSDGIKHKLAVMBS-MRVPVSSYSA-N 313.260 5.057 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)[C@@H]1CSCCS1 2235518571 HWLNDAJAXMCPSW-SJORKVTESA-N 315.592 5.120 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc2cscc2s1 2235542559 UCBUHBDWXVODMI-HNNXBMFYSA-N 307.528 6.140 30 10 DKEE C=C1CC(C[C@H](Cc2cccc(Cl)c2Cl)NCCC)C1 2235756945 MXOAXZDJRYIODB-OAHLLOKOSA-N 312.284 5.260 30 10 DKEE C=C[C@H](CCCCC)OC[C@@H](N)c1c(Cl)cccc1Cl 2239490717 UCOYOUHIHXJLSZ-IUODEOHRSA-N 316.272 5.145 30 10 DKEE Cc1cc(Br)ccc1S[C@@H]1C[C@@H](C)CC[C@H]1C#N 2257002501 WUZZPAHHUJTQNT-ITDIGPHOSA-N 324.287 5.178 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cscc1C(F)(F)F 2287464903 FBEYCSVDKDGEIG-CQSZACIVSA-N 305.409 5.554 30 10 DKEE C=CCCCCC[C@H](OCCCN)c1ccc(SC)s1 2294053747 NHWMKZKBCSAPRU-AWEZNQCLSA-N 313.532 5.013 30 10 DKEE CCCCCCCC[C@@H](OCCCN)c1cscc1F 2294420734 WPHZWAJASLDLDN-MRXNPFEDSA-N 301.471 5.044 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1sc(Cl)cc1OC 2344386356 VYXSUDCJRZJBKA-GJZGRUSLSA-N 301.883 5.053 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(Cc2cc(Cl)c(OC)c(Cl)c2)C1 2365496671 FXQAXNCOLJCSIY-BZNIZROVSA-N 312.240 5.265 30 10 DKEE Cc1ccc(CNc2ccc(Cl)c(C)c2Cl)cc1C#N 2365676938 YXQWPZAJSDUUCL-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CCCCCCC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1C 2366023971 QJGCZKQIKZKEKA-MRXNPFEDSA-N 315.240 5.041 30 10 DKEE CC(C)(C)C#CC=CCCCCc1cc(Cl)cc(Cl)c1 2366902986 IWECUAZSGDEHQE-UHFFFAOYSA-N 309.280 6.312 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1ccc(C(F)(F)F)cc1Cl 2370500404 DZHHQJJVNYQRKR-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE CC[C@@](C)(CCCC(C)C)OCC1(CS)CC(C)(C)C1 2371134977 ZIBKIBPEBBWQIC-KRWDZBQOSA-N 300.552 5.734 30 10 DKEE CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CS 31976653 MATLUXSOLDYTCM-QIRCYJPOSA-N 306.559 7.062 30 10 DKEE in-vitro C=C(C)Cn1c([C@H](CC)Oc2cccc(C)c2)nc2ccccc21 39900134 IKSJUAQAILGDLR-FQEVSTJZSA-N 320.436 5.451 30 10 DKEE CCCCCCCNC[C@H](CC)Oc1ccccc1[C@H](C)CC 100027435 RKMIXIPPNOVGCJ-MOPGFXCFSA-N 319.533 5.918 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl 109752919 LWVUIAGHJGJDHQ-NSHDSACASA-N 322.707 6.808 30 10 DKEE CCCCCCCCC[C@@H](N)c1ncc(Cl)cc1Cl 122543432 UVQBVADKRWICTJ-CQSZACIVSA-N 303.277 5.529 30 10 DKEE N#Cc1ccc(Br)cc1Sc1cccc(Cl)c1 124364259 FSZPKLQENGYBCY-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(Cl)cc(Cl)c1 157946603 UGNLFTHIYDOGSB-KRWDZBQOSA-N 316.316 6.395 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Br)c(Cl)c1 158126535 VGBVUWXPZZIGKZ-AWEZNQCLSA-N 318.686 5.463 30 10 DKEE CC[C@@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)c(Cl)c1 168266740 YTQHNIAMVRSLTC-OAHLLOKOSA-N 323.198 5.567 30 10 DKEE N#Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1Cl 226055892 SAAIMMJIXNBGSC-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCC(=O)c1ccc(Cl)cc1Br 232937340 OANODVVURFYYOS-UHFFFAOYSA-N 317.654 5.646 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(Br)ccc1C 234434618 YENRISQLGVLYBN-INIZCTEOSA-N 310.279 5.155 30 10 DKEE Cc1ccc(N=Cc2c(O)ccc3oc4c(c23)CCCC4)cc1 254741289 NMUBDFPGVYTJFW-UHFFFAOYSA-N 305.377 5.076 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccccc1OCc1ccccc1 310331366 BQVIFYSAJBVXEH-OAQYLSRUSA-N 323.480 5.663 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(C)c(Br)c2)C1 313989870 LFRQROIZPGIMJS-RHSMWYFYSA-N 320.274 5.410 30 10 DKEE C=C(CNc1cc(Cl)c(Cl)c(Cl)c1)c1ccccc1 404186857 CKYUTLUBCMQBRX-UHFFFAOYSA-N 312.627 5.772 30 10 DKEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698456816 JDIIBPQHZRIYLT-SFHVURJKSA-N 308.466 5.029 30 10 DKEE CCCCCCCN[C@H](C)c1cc(F)c(Cl)cc1Cl 703707763 DZRLUTASRDRDFS-LLVKDONJSA-N 306.252 5.754 30 10 DKEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 710783196 PIDYEXSHFKUOQF-MRXNPFEDSA-N 316.445 5.209 30 10 DKEE CC[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccccc1C)C2=O 1871420790 DTAVQUFNOUIRCV-VCRXTVNUSA-N 322.404 5.097 30 10 DKEE C=CCCCCC[C@@](C)(O)c1cc(Cl)cc(Cl)c1F 1886406243 XKTKSSWGJNIZDB-OAHLLOKOSA-N 305.220 5.477 30 10 DKEE CCCCCCCC[S@@](=N)(=O)c1cc(Cl)ccc1Cl 1917927376 OCVJLLKATIDEQO-LJQANCHMSA-N 322.301 5.760 30 10 DKEE CCCCCCCCCC[C@@](C)(O)c1csc(Cl)c1 1919977427 ZJIPLQYUOIUFEL-MRXNPFEDSA-N 302.911 6.140 30 10 DKEE CCCCCCCCOC(C)(C)[C@H](C)NCc1ccccc1 1961256523 PLTJWVIXAFEHDD-SFHVURJKSA-N 305.506 5.320 30 10 DKEE CCCC(CS)(CCC)CSCc1ccc(Cl)o1 2028948930 MSJNSMMRBQJTHE-UHFFFAOYSA-N 306.924 5.683 30 10 DKEE C=CCC[C@H](C)C[C@@H](NCC)c1ccc(Br)cc1 2050513506 PNPUYKCHODHVAL-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 2147071997 POONBPRLSLEBJD-INIZCTEOSA-N 317.256 5.347 30 10 DKEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1ccc(Cl)cc1 2184459865 JUJKRURTYQNWHV-SECBINFHSA-N 309.171 5.177 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(Cl)cc(Cl)c2Cl)CC1 2220110167 MCSYRIZBHFJHQN-MRVPVSSYSA-N 303.616 5.576 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1cccc(OCc2ccccc2)c1 2299506994 DALDBPPQYLRACM-GCJKJVERSA-N 323.480 5.519 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1cc(F)ccc1F 2330492336 LHBLBTHBBOQFMM-UHFFFAOYSA-N 311.331 5.059 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1ccc(C)cc1Br 2338745422 WQYUQBXJNGXYCC-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE C=CCC(CC=C)Sc1cccc(Cl)c1CNC(C)C 2360367763 JFVAQTHCESQRLB-UHFFFAOYSA-N 309.906 5.451 30 10 DKEE C=CCC(CC=C)[C@H](Cc1ccc(Cl)cc1Cl)NCC 2364086408 LLWMZBDGBXKJMZ-KRWDZBQOSA-N 312.284 5.282 30 10 DKEE COc1c(Cl)cc(CC2(C#N)CCCCCC2)cc1Cl 2365736225 JPTWYPKNMOBCFP-UHFFFAOYSA-N 312.240 5.409 30 10 DKEE O=C1/C(=C/c2ccccc2)Cc2ccccc2/C1=C\c1ccccc1 33349864 VJMUZPOKSLRNSH-OIYSJFPPSA-N 322.407 5.436 30 10 DKEE O=C(/C=C\c1ccccc1)/C=C\c1ccc(-c2ccccc2)o1 33925798 AIDDQMLIZRUOOF-OSZYEJKESA-N 300.357 5.242 30 10 DKEE N#C[C@@H](C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 37345252 NOSVOQKHJGFMMJ-CQSZACIVSA-N 324.594 5.137 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 91884097 WGTFUXLDFCGMOI-AWEZNQCLSA-N 312.240 5.137 30 10 DKEE SCCCCCN1c2ccccc2Sc2ccccc21 94586502 XYQKKYAFVAIMSY-UHFFFAOYSA-N 301.480 5.389 30 10 DKEE CCCCCCC[C@H](C)Nc1c(Cl)cccc1C(F)(F)F 109766428 GBUAIWHUSPUMOA-LBPRGKRZSA-N 321.814 6.520 30 10 DKEE N#C[C@H]1CCCC[C@H]1Nc1cc(Cl)c(Cl)cc1Cl 110155371 XFJRARVRNSHPDL-PRHODGIISA-N 303.620 5.141 30 10 DKEE CCCCCCC[C@@H](CNC1CC1)Cc1cccc(Cl)c1 110520994 XWSQUSNVZFWLDQ-QGZVFWFLSA-N 307.909 5.611 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc2cc(Cl)ccc2o1 129354396 XMFNXXZKTYMBRM-MRXNPFEDSA-N 307.865 6.097 30 10 DKEE CCCCCCCCCCNCc1c(Cl)c(C)nn1CC 129369613 LBBOHLVYXAXBFL-UHFFFAOYSA-N 313.917 5.095 30 10 DKEE CSc1cccc(N(C)[C@@H](C)c2ccccc2Cl)c1C#N 136661001 UYVAONUYODQOKH-LBPRGKRZSA-N 316.857 5.131 30 10 DKEE CCCCCCC[C@@H](NCCC)c1cc(Cl)ccc1OC 228483070 AEEDTNSWYUFZFX-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(Cl)ccc1OC 229276405 XRGBAPVYANMGED-KRWDZBQOSA-N 312.881 5.913 30 10 DKEE N#Cc1ccc(Cl)cc1Nc1cc(Cl)c(F)c(Cl)c1 232039706 NOGBZLVZIWFWAW-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1cccc(Cl)c1Cl 235230744 XZRXKZHIFJADPA-LLVKDONJSA-N 305.208 5.347 30 10 DKEE COc1ccc(C=Nc2ccc(NC3CCCCC3)cc2)cc1 254683565 WHCAKYLDMBQOBL-UHFFFAOYSA-N 308.425 5.190 30 10 DKEE CCCCCCCCNC[C@H](c1ccc(C)cc1)N1CCCC1 257627497 BJFRJRHEEYTMCA-OAQYLSRUSA-N 316.533 5.082 30 10 DKEE C#C[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 378706478 ILXXSKHMDJFJMO-CQSZACIVSA-N 310.611 5.433 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1csc(Cl)c1 380849868 BMFLOMQNZYRIOP-MRXNPFEDSA-N 315.954 6.712 30 10 DKEE CCSc1cccc(Nc2cccc(F)c2Cl)c1C#N 690294931 MKKAYNXVFCGGCQ-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE Cc1ccc(Oc2cc(Cl)ccc2Br)c(C#N)c1 708118879 JVCGBNOYLMKRGG-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(Br)c1 709384385 IDLJPUWYZPUEPH-CKEIUWERSA-N 322.290 5.235 30 10 DKEE N#Cc1cc2c(C(F)F)ccc(SC(F)(F)F)c2s1 725291521 RGUBXSMQMWSNOJ-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE C/C(=C/c1ccccc1Cl)C(=O)/C=C\c1ccccc1Cl 1088725859 HNYMWNNZRYCUHK-FQEMRORKSA-N 317.215 5.679 30 10 DKEE Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)ccc1C(F)F 1848359033 SCHMWTYHVJGVAG-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CC(C)(C)C1CCC(=NOC(=O)c2cccc(Cl)c2)CC1 1860466672 FVYQODKOJTZARQ-UHFFFAOYSA-N 307.821 5.089 30 10 DKEE CCCCCCCCCCNC(=O)Cc1coc2ccccc12 1866198815 SXBSTNVMVONCIO-UHFFFAOYSA-N 315.457 5.232 30 10 DKEE CCCCCCCCN(Cc1ccccc1)CC(F)(F)F 1892425146 GIPYBKIGMLBJFW-UHFFFAOYSA-N 301.396 5.411 30 10 DKEE C=C(C)CC[C@@H](NCC)c1c(Br)sc(C)c1C 1951108144 OLFPUOPTWLCWKN-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE N#CC1(CN(Cc2ccccc2)CC2CCCCC2)CCCCC1 2001550132 JQUYPSZPJJERBN-UHFFFAOYSA-N 324.512 5.543 30 10 DKEE C=CCC[C@@H](C)Oc1ccc(Br)c(C(F)(F)F)c1 2040518791 KARZRLYQDRZSTE-SECBINFHSA-N 323.152 5.201 30 10 DKEE FC(F)c1cc(Cl)cc(C(F)(F)F)c1OC(F)(F)F 2054959383 FZXIXINVCFOHPZ-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(Br)cc1F 2085917423 PLOSDTIWJBFREF-OAHLLOKOSA-N 315.226 5.148 30 10 DKEE C=C1CCC(N[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 2101212416 NSOIJCHZHGVONU-SNVBAGLBSA-N 302.220 5.282 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(Cl)c(Cl)c1 2108213811 PGCWYCQGJDGGPH-HUUCEWRRSA-N 300.229 5.137 30 10 DKEE C[C@H](Nc1cc(Cl)c(C#N)cc1F)c1ccc(Cl)s1 2120886676 DULKGBSYBLFKTK-ZETCQYMHSA-N 315.200 5.239 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Nc1cc(Cl)cc(Cl)c1 2127974833 YFXSWZRDDYWQKQ-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCCCC[C@](C)(O)c1ccc(Cl)s1 2142439831 CYIPVONEMPCRKE-INIZCTEOSA-N 300.895 5.916 30 10 DKEE C=C(C(=O)c1ccc(-c2ccccc2Cl)s1)C(F)(F)F 2164063501 UBJDQWCVIKRDPJ-UHFFFAOYSA-N 316.731 5.370 30 10 DKEE C=CC[C@@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2164217661 LAFNKMZUFYNJBE-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE CC1(C)CCC[C@](C#N)([C@@H](O)c2cc(Cl)cc(Cl)c2)C1 2168546626 ARJMDQQASNEVQN-HOCLYGCPSA-N 312.240 5.137 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(-c2ccccc2)s1 2206185558 AQJLPIQFJUEEFS-HNNXBMFYSA-N 305.874 5.598 30 10 DKEE C=CCCCCCCCC[C@H](O)[C@@H]1CS[C@H](C)[C@@H](C)S1 2207402282 BCKRQOFOULAPHV-NCOADZHNSA-N 316.576 5.280 30 10 DKEE CCCCCCCCCCCOCCC#CBr 2216919932 FSSOCNKTIBQARO-UHFFFAOYSA-N 303.284 5.280 30 10 DKEE CCCCCCCCCCCCOC[C@H](N)C1(Cl)CC1 2239554140 IHJISDVRISOVPH-INIZCTEOSA-N 303.918 5.023 30 10 DKEE CCN[C@H](C#Cc1ccc(C)cc1)c1cc(Cl)sc1Cl 2239723211 ZTPMRTLKQOGHLK-CQSZACIVSA-N 324.276 5.066 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccc(C(F)(F)F)cc1Cl 2287408641 KRBOBBYLVJWKNW-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2316953457 SGWOMAZXJAJCPN-ZDUSSCGKSA-N 306.664 5.485 30 10 DKEE C=CCC(C)(C)C(=O)c1c(C)c(C)c(Br)c(C)c1C 2346261045 CCKWLNQPLVDYLF-UHFFFAOYSA-N 323.274 5.468 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349867256 HUSPPGWLWSTPEH-HNNXBMFYSA-N 304.236 5.530 30 10 DKEE CC(C)(C)[C@](C)(CS)CSC[C@H]1CCCCC1(F)F 2352290878 QTDDAQYIYNDRSI-TZMCWYRMSA-N 310.519 5.527 30 10 DKEE C=C(CNc1ccc(C)c(Br)c1F)c1ccccc1 2352955836 SUCNFYRVESVXED-UHFFFAOYSA-N 320.205 5.022 30 10 DKEE C[C@@H]1C[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)CCO1 2366900834 RGKHTHIHEVJDCW-MLGOLLRUSA-N 312.240 5.025 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1c(F)ccc(F)c1Cl 2370482931 PWOPLRYGPOFWLL-JKSUJKDBSA-N 301.808 5.261 30 10 DKEE Clc1cc(Cl)c(/N=C/c2ccccc2Cl)cc1Cl 5866688 GNTNVNHQDZTVFO-CNHKJKLMSA-N 319.018 6.051 30 10 DKEE Cc1ccccc1NC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)C1 58866368 WBWDBTWPRMTHFJ-HNNXBMFYSA-N 311.812 5.091 30 10 DKEE Fc1ccc(N/N=C/c2ccc3cc4ccccc4cc3c2)cc1 59165588 HZQOZPQYWSGPNJ-OEAKJJBVSA-N 314.363 5.578 30 10 DKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)c(Cl)c2C)cc1 83194229 LDVOCTPKXXVREZ-JXMROGBWSA-N 314.812 5.170 30 10 DKEE Cc1cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)ccc1F 83204126 GEIPNHLREJQSSX-XVNBXDOJSA-N 309.167 5.337 30 10 DKEE Cc1cc(C)cc(CSC[C@H](CS)c2ccccc2)c1 94721431 YRPRGJJCVKOYDS-SFHVURJKSA-N 302.508 5.250 30 10 DKEE C[C@@H]1C[C@H](OCCCCCCCCCS)CC(C)(C)C1 97799732 PGNNINBFWVGYFD-SJORKVTESA-N 300.552 5.878 30 10 DKEE CCCCCCC[C@@H](CNC(C)C)Cc1ccc(Cl)cc1 111890203 DSDPDCACWSAFMC-GOSISDBHSA-N 309.925 5.857 30 10 DKEE CCCCCCCCCCC[C@@H](NC)c1sccc1Cl 127932139 SNIWJHKKKOAKGQ-MRXNPFEDSA-N 315.954 6.583 30 10 DKEE C=CC[C@@H](NCCC)c1ccc2cc(Br)ccc2c1 128801488 ZHFZEXNVEJBGBU-QGZVFWFLSA-N 318.258 5.219 30 10 DKEE CCCCCCCCCOc1c(N)cccc1Br 133423730 ZMMVIRPGGDLWCU-UHFFFAOYSA-N 314.267 5.161 30 10 DKEE CCCCCCCCCCCc1nnc(S)n1C(C)(C)C 162742889 XFTPBUGUOPKZLY-UHFFFAOYSA-N 311.539 5.395 30 10 DKEE CN1/C(=C/C(=O)c2cccc3ccccc23)Sc2ccccc21 205504117 HQTQILOQZHGRIY-MOSHPQCFSA-N 317.413 5.106 30 10 DKEE CCCCCCCCCC[C@@H](N)c1scc(C)c1Cl 232941697 QAFWOLHWWFAQGA-CQSZACIVSA-N 301.927 6.241 30 10 DKEE CCCCCC(=NOC(=O)c1cccc(C)c1)c1ccccc1 252461473 MSHGVLKLGXPRSE-UHFFFAOYSA-N 309.409 5.136 30 10 DKEE Cc1ccccc1N=NC(=NNc1nc2ccccc2o1)C(C)C 254566672 JJVTUMHGLAIIRB-UHFFFAOYSA-N 321.384 5.302 30 10 DKEE C=CCCCCCNCCc1ccc(OCc2ccccc2)cc1 310086499 HCSOWVQMXKFHOM-UHFFFAOYSA-N 323.480 5.144 30 10 DKEE CC(C)(C)C1CCC(C=O)(CCOCc2ccccc2)CC1 316762061 CUAKGFCXYYPWJJ-UHFFFAOYSA-N 302.458 5.015 30 10 DKEE CCCCCCCCCC[C@H](NC)c1csc(Cl)c1 378983249 MWKCTMSVJPYFAN-HNNXBMFYSA-N 301.927 6.193 30 10 DKEE C[C@@H]([C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1)C(C)(C)C 698442095 DCBIDMNCKJKVEE-GOEBONIOSA-N 316.445 5.002 30 10 DKEE CC[C@@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 710800107 LIWXQBZFMOZOJI-BEFAXECRSA-N 316.445 5.065 30 10 DKEE CC(C)(C)CC(C)(C)Nc1nccc(-c2ccccc2)c1C#N 1859789402 FIOZJOOFYZGXIU-UHFFFAOYSA-N 307.441 5.247 30 10 DKEE CCC1(CC)CSC(=Nc2ccc(Cl)c(Cl)c2F)N1 1893165377 HOGJRSNOKRIPIS-UHFFFAOYSA-N 321.248 5.015 30 10 DKEE C=CCCCCCCCSCC(Br)=C(C)C 1901613144 JFTMVYDFUNMLEF-UHFFFAOYSA-N 305.325 5.935 30 10 DKEE CCC[C@@H](CS)CSCc1ccc(Br)cc1 1902022234 UZPSWUJNTMWKFN-LBPRGKRZSA-N 319.333 5.028 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(CNCC(C)C)cc1 1914968873 VGCTZNODTBQTGM-UHFFFAOYSA-N 322.496 5.015 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Br)cs1 1919983104 FWWZSHQFZMLFBG-ZDUSSCGKSA-N 305.281 5.079 30 10 DKEE Clc1cccc(N=C2N[C@H](CC3CCCCC3)CS2)c1 1926716545 VIXBOUKSHQWSJW-OAHLLOKOSA-N 308.878 5.003 30 10 DKEE CC1(C)CCC[C@@](C=O)(CCCOCc2ccccc2)CC1 1935231989 ZFSFLTKQEMSQHA-HXUWFJFHSA-N 302.458 5.159 30 10 DKEE C=CC1(C[C@@](C)(N)c2ccc(OCc3ccccc3)cc2)CCC1 2002638830 KEOJHKXJIJYTAA-OAQYLSRUSA-N 321.464 5.186 30 10 DKEE CCC#CC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2005837543 FPZQAIQRYJBCLF-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 2009493536 KCHYTSXUWUREQP-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE CC#CCCC[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 2018329563 JLNNTQOJGJDVRH-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE CC#CCCCC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 2019497956 KVJBBVYACDYSRW-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE CCCCCC#CCNc1ccc(Br)cc1Cl 2024348851 GVUHQMGIRNHSBQ-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE CCCCCCCCNCc1cccc(Br)c1C 2027198235 SGVZVMHXPMQQMR-UHFFFAOYSA-N 312.295 5.208 30 10 DKEE C=C(C)C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2045768421 YMAJXCGGRBQKHV-GFCCVEGCSA-N 306.664 5.654 30 10 DKEE CCCCCCCCC[C@H](NC)c1scc(Cl)c1Cl 2096222336 SQVQYLXZZZJCSP-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE C=CC1(C[C@H](NCCC)c2cccc(Br)c2)CCC1 2111719383 NIBMFEGZSLFGKB-INIZCTEOSA-N 322.290 5.236 30 10 DKEE C=CC1(C[C@@H](NCCC)c2scc(Cl)c2Cl)CCC1 2111719464 DGCCCHFYLPFGNO-GFCCVEGCSA-N 318.313 5.842 30 10 DKEE CCCN[C@H](CC#CC1CC1)c1cc2sc(C)cc2s1 2156531335 LERVPMKSUYZNJN-CQSZACIVSA-N 303.496 5.115 30 10 DKEE CCCCCCCC[C@H](NCC)c1c(Cl)cncc1Cl 2164097455 NNMKCCROEKKYSR-HNNXBMFYSA-N 317.304 5.790 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(C(F)(F)F)ccc1Cl 2179683399 TYAVGXVKWGVGOL-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1OC 2203395357 PASVDPRGOOLTJN-UHFFFAOYSA-N 317.256 5.935 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccc(Br)cc1 2223847062 ADQUUJBZXWDVNO-AWEZNQCLSA-N 312.295 6.000 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccsc1C(F)(F)F 2235540466 XKTLLFSRERPJSJ-ZDUSSCGKSA-N 305.409 5.683 30 10 DKEE CC(C)(C)C#CCN[C@H](c1cccs1)c1ccc(Cl)s1 2239116547 RNFITTDWZHWOCL-OAHLLOKOSA-N 323.914 5.192 30 10 DKEE Cc1cc(Br)ccc1SC[C@@H](CS)C(C)C 2243786466 UPSXYIDXWMDFJX-LLVKDONJSA-N 319.333 5.052 30 10 DKEE C=CCCCCCCCSC[C@H](NCC)c1cscn1 2287190389 XXDZYPLBAQAPDJ-HNNXBMFYSA-N 312.548 5.054 30 10 DKEE CCCCCCC[C@H](OCCN)c1cc2sccc2s1 2293674046 VXNKRLUCAKGQTC-ZDUSSCGKSA-N 311.516 5.340 30 10 DKEE Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c(Cl)cc1Cl 2294755897 FKZYAFUZGKWBJP-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCC#CC[C@H](N)c1sc(C(F)(F)F)cc1C 2295036809 HYXQFTZLZYBSPB-LBPRGKRZSA-N 303.393 5.049 30 10 DKEE CSc1ccc([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@H]32)cc1 20758660 PGFLWAVTLJFTGD-LMMKCTJWSA-N 318.445 5.107 30 10 DKEE N#Cc1ccc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)cc1 33551568 KAOAGKZZFKVMAD-RAXLEYEMSA-N 322.367 5.537 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(OC)cc1OC 59089812 PMCVYKWCSBYEOX-ZDUSSCGKSA-N 313.869 5.518 30 10 DKEE CCCCCCCCCCCC[C@H](N)C(OCC)OCC 123546502 PLMYRTDJJUFIFZ-KRWDZBQOSA-N 301.515 5.024 30 10 DKEE Cc1cccc(-c2sc(C#N)c(N)c2-c2cccs2)c1F 132289575 QWTJOQISWZJJNP-UHFFFAOYSA-N 314.410 5.045 30 10 DKEE CCCCCCCCN[C@@H](C)c1sccc1Br 160811053 SBKKHXYMIKIAIT-LBPRGKRZSA-N 318.324 5.522 30 10 DKEE N#Cc1c(Br)cccc1Oc1ccc2ccccc2c1 168620909 KQEMTBGYZVIAAI-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Cl)cc2c1OCC2 228472481 KOFDYPQVFIDQKW-KRWDZBQOSA-N 309.881 5.415 30 10 DKEE C=CCC[C@H](C)Nc1c(Cl)cc(F)cc1Br 232161729 ZAFJGYMANYLJGX-QMMMGPOBSA-N 306.606 5.008 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccc(Br)c(C)c1 234458019 UVGQJBFITQZTPR-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C#N)CCC[C@@H](C)C1 310805226 ZJIKWJRJMSQMGS-WWGRRREGSA-N 306.247 5.273 30 10 DKEE CCCCCCCC[C@@H](N)c1c(C)cccc1Br 310890490 YVMMNWLQFZYQLP-OAHLLOKOSA-N 312.295 5.508 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](Sc2cc(Cl)cc(Cl)c2)C1 381016530 VFAYERVKOOBVQL-RULNRJAQSA-N 300.254 5.414 30 10 DKEE N#CC1(CNc2cc(Cl)c(Cl)c(Cl)c2)CCCC1 405083131 BMKICXDXBLARNF-UHFFFAOYSA-N 303.620 5.143 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 695070716 GXAQBFQSEPMOPV-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCCCC[C@@H](O)c1cccnc1Br 696908345 YQRFTYOVSWGCNZ-CQSZACIVSA-N 314.267 5.018 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cscc1C(F)F 720279991 HNORBRIUCWJHRU-OAHLLOKOSA-N 303.462 6.087 30 10 DKEE CC/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 821216958 ADQSLWUSBNJNRD-LSDHQDQOSA-N 309.453 5.623 30 10 DKEE CCCCCCCCCCNC(=O)c1cc2ccccc2o1 1859671087 IGNJKTNFEGTWBG-UHFFFAOYSA-N 301.430 5.303 30 10 DKEE C=CCC(CC=C)C(=O)c1cc(Br)c(Cl)s1 1901008592 FUORBOKUOUJFBP-UHFFFAOYSA-N 319.651 5.115 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1cccc(C2CCC2)c1 1902940790 BTQFUYJCDZTLIO-UHFFFAOYSA-N 305.465 5.532 30 10 DKEE CCCCCCC[C@](C)(O)[C@@H](N)c1cc(Cl)ccc1Cl 1920357742 VADUUQSAOSZUDX-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE C=CCC=CCC=CCCCCCCCc1cc(O)cc(O)c1 1933238687 OOXBEOHCOCMKAC-UHFFFAOYSA-N 314.469 6.060 30 10 DKEE CCCCCCCCC[C@@H](N)c1ncc(Br)s1 1948940225 CTTMSZPOGYREHB-LLVKDONJSA-N 319.312 5.046 30 10 DKEE O=C[C@]1(Cc2cc(Cl)sc2Cl)CCCCC12CC2 2074820355 PRCRQKNYLIWHCX-CQSZACIVSA-N 303.254 5.137 30 10 DKEE CCCCC#CC[C@H](NCCC)c1ccccc1Br 2138958130 DPPYLEKROFFLAM-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C=CCCCCCCCC[C@H](N)c1snc(Cl)c1Cl 2142447674 JVRLYYOHXVSNFR-NSHDSACASA-N 321.317 5.757 30 10 DKEE CCCCCCCCCCCCC(=O)c1scnc1Cl 2163982337 OFFNQVFGYJTUCI-UHFFFAOYSA-N 315.910 6.290 30 10 DKEE C[C@H](CCN(C)CCCCCCCCCS)C(F)(F)F 2166580395 MMLRBSWIXLJBHE-CQSZACIVSA-N 313.473 5.167 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cc2sccc2s1 2205532705 XYKCNOXSJXGQKI-GDBMZVCRSA-N 305.468 5.106 30 10 DKEE C=CCCCCCCCCC(=O)c1cc(C(F)F)cs1 2207375068 AZSJZBUXECBHSQ-UHFFFAOYSA-N 300.414 6.175 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1scnc1Cl 2207408109 GYZQPFJOABSGBU-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc2sccc2s1 2207409289 MMTMZZMYAQQHQD-AWEZNQCLSA-N 307.528 6.269 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cc(Cl)sc1Cl 2223555758 DXNWUEDBEDMYRF-HZMBPMFUSA-N 306.302 5.178 30 10 DKEE C#CCCC[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967034 KCIULYKNSMWYKY-KRWDZBQOSA-N 322.290 5.027 30 10 DKEE CC1(CSC[C@H](C#N)C2CCCC2)CC(C(F)(F)F)C1 2287331988 KIYIACOVRZPIQT-HSBZDZAISA-N 305.409 5.028 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(C(F)(F)F)cs1 2287371366 BHMFMPLFEVFXEQ-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE C=CCCCCCCCN1CCC(SC(F)(F)F)CC1 2289999867 PBSHCSGGNHJHDR-UHFFFAOYSA-N 309.441 5.230 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(C(F)(F)F)s1 2295003404 HOMQHGDEFQBFCY-LBPRGKRZSA-N 305.409 5.554 30 10 DKEE CCCCCCC[C@H](NCCC)c1sc(Cl)cc1OC 2295717598 RDUVPCIAUWHNQY-ZDUSSCGKSA-N 317.926 5.811 30 10 DKEE C=CCCC[C@H](O)c1c(C)c(C)c(Br)c(C)c1C 2323891786 NGIUEKWJZRAXRY-AWEZNQCLSA-N 311.263 5.072 30 10 DKEE C=CCC(CC=C)OC(=O)C=Cc1cc(Cl)cc(Cl)c1 2360321337 ADXBJBUEODRWBE-UHFFFAOYSA-N 311.208 5.071 30 10 DKEE C=CCC(CC=C)Sc1cccc(Cl)c1CNC1CC1 2360368389 NBZPEQKKIWJGGI-UHFFFAOYSA-N 307.890 5.205 30 10 DKEE CCSc1cccc(SC[C@H]2CC[C@H](C)CC2)c1C#N 2360506754 OVUVGYOPCTXXPC-HDJSIYSDSA-N 305.512 5.589 30 10 DKEE O[C@@H](CC#CC1CCCCC1)c1c(Cl)cc(F)cc1Cl 2366412231 WIBGYPJOTHXHBT-HNNXBMFYSA-N 315.215 5.140 30 10 DKEE C=C(C)C[C@H](NCCC)c1cccc(Cl)c1C(F)(F)F 2367671727 JNCRBWLWJPHQDU-ZDUSSCGKSA-N 305.771 5.366 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1c(Cl)ccc(F)c1F 2370481148 BKJXUAAHQUQDLD-HOTGVXAUSA-N 301.808 5.261 30 10 DKEE CCCCCCCC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 59100130 YYPSCHHJXCSBMW-CQSZACIVSA-N 312.240 5.530 30 10 DKEE N#Cc1cnc2ccccc2c1Nc1c(Cl)cccc1Cl 88171005 MRRRXQOETFVTAZ-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE Cc1cc(Cl)cc(C)c1OCCCCCCCCCS 97799684 JCLADIKCLCXJSF-UHFFFAOYSA-N 314.922 5.996 30 10 DKEE Cc1ccc(C#N)c(Nc2cc(Br)ccc2Cl)c1 110258279 QDSHDEONVDUVHR-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)c1ccc(C#N)cc1Cl 110258494 BIEBIDCUOOYBDB-LLVKDONJSA-N 305.208 5.062 30 10 DKEE N#Cc1ccc(CNc2ccc(Cl)c(Cl)c2)c(Cl)c1 162582125 QSBGELGVYGSMNP-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc2c(s1)CCCC2 229275324 KUYFNFYTLRVIMV-QGZVFWFLSA-N 308.531 6.191 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCc2ccc(Cl)cc2)C1 231383770 BDWAOVGOBGMGHU-UXLLHSPISA-N 321.917 5.928 30 10 DKEE CC[C@@H]1CCC[C@](C=O)([C@@H](C)c2ccc(Br)cc2)C1 317350588 SXLFDRGWLJMYIV-VBQJREDUSA-N 323.274 5.338 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)cc(Cl)c1)C(F)(F)F 382316094 PJDGJOCPJNCKOB-LBPRGKRZSA-N 312.162 5.153 30 10 DKEE CCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698916068 NLRYSNJRAZRGSU-QGZVFWFLSA-N 322.836 5.164 30 10 DKEE CCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1Cl 698916113 NPRQOUDPDAMUCG-ZDUSSCGKSA-N 322.836 5.164 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1ccccc1Br 703956095 XWYBQRBSZWUYNI-ZDUSSCGKSA-N 310.279 5.092 30 10 DKEE CCCCCCCCC[C@@H](Cc1scnc1Cl)NC 722020900 ARODWVVKCYGTTK-ZDUSSCGKSA-N 302.915 5.068 30 10 DKEE C=C(C)c1cnc(-c2cccc(OC(F)(F)F)c2)cc1Cl 1615892117 JCCNDXZZZCDAFU-UHFFFAOYSA-N 313.706 5.334 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cc(Cl)nc2ccccc12 1903140916 SGACCQOKKRSYDD-UHFFFAOYSA-N 322.839 5.471 30 10 DKEE C[C@](O)(CC#CC1CCCCC1)c1cccc(Cl)c1Cl 1920032336 BLSIUIUXRFQDNI-KRWDZBQOSA-N 311.252 5.175 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)[C@@H](C)CCO 1995328705 USATWOFGILFSTB-FQEVSTJZSA-N 317.517 5.176 30 10 DKEE C=C(C)CCCNc1ccc(C(F)(F)F)cc1Br 2027877830 AOYDYTIPAVLPFA-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(Br)cc1C 2040530468 RALABYBKJNCKIR-LRDDRELGSA-N 310.279 5.010 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cccc(Br)c2)C1 2049514599 JUBFBMORVBEBNC-MRXNPFEDSA-N 306.247 5.102 30 10 DKEE CCCC[C@](CC)(CCC#CBr)CNC(C)(C)C 2051135679 SLRGEEAVVLCENX-MRXNPFEDSA-N 316.327 5.097 30 10 DKEE C[C@H](c1ccc(C2CCC2)cc1)n1nc(C2CCCC2)cc1C#N 2070133521 DCIOCIVFPNOFOH-OAHLLOKOSA-N 319.452 5.289 30 10 DKEE C=C1CCC(C[C@H](NCC)c2scc(Cl)c2Cl)CC1 2096221568 NQZAMTSETIVJDO-ZDUSSCGKSA-N 318.313 5.842 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cc(Cl)c(Cl)s2)CC1 2099892304 GJYLXUFPVLQKEA-CYBMUJFWSA-N 318.313 5.842 30 10 DKEE SCCCCCCCCCOCCOC1CCCCC1 2143623852 UBBJABSLUKDOBP-UHFFFAOYSA-N 302.524 5.013 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2203788286 WXIWRIABFOSTDA-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE CCCCCCCC[C@@H](N)c1c(OC)ccc(Cl)c1F 2207331870 RYUFKPBHCMLPRM-CYBMUJFWSA-N 301.833 5.238 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)[C@H]1CSCCS1 2207437685 QSNBTUPEMMFYOA-IAGOWNOFSA-N 315.592 5.120 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@@H](O)c1sccc1Cl 2207439987 UXJALERJWWUDSL-HUUCEWRRSA-N 315.910 5.069 30 10 DKEE CCCCCCCC(=O)Nc1c(C)cccc1Br 2223587774 DXDWJYBSINGEFV-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE CCCCCCCC[C@@H](C)NCc1cc2cscc2s1 2240665831 HJDBZUUQUBMVRG-CQSZACIVSA-N 309.544 6.192 30 10 DKEE C=CCCCCC[C@H](N)c1sc(Br)c(C)c1C 2247223000 HSMZMCPARVQFGL-LBPRGKRZSA-N 316.308 5.264 30 10 DKEE CC(C)(C)C#CC=CCNc1cccc(OCc2ccccc2)c1 2248511443 XXQQWJFEQRCCOF-UHFFFAOYSA-N 319.448 5.283 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Cl)c(Cl)s1 2259196611 MCVBKJQQKRFXFX-LBPRGKRZSA-N 306.302 5.842 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cc(OC)c(Cl)s1 2365810311 PHBVZFVADCHQQT-CYBMUJFWSA-N 313.894 5.035 30 10 DKEE C=CC[C@@H](CCCc1cc(Cl)cc(Cl)c1)CNCCC 2366897996 DIBMMVOODHSTOM-AWEZNQCLSA-N 314.300 5.508 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1csc(C(F)F)c1 2370481449 DRBGNJMQBBDZKH-GDBMZVCRSA-N 301.446 5.719 30 10 DKEE O=C(/C=C\Nc1ccc(F)cc1)c1cc(Cl)sc1Cl 4091723 HKDOGJBUIUTQOT-WAYWQWQTSA-N 316.184 5.003 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(OC(F)(F)F)cc1 59089818 GOVKEQLJVWFOLG-ZDUSSCGKSA-N 303.368 5.746 30 10 DKEE CCCCCCCC(=O)Nc1ccc(C)c(Br)c1 110309730 LVZCBGMSGCICNO-UHFFFAOYSA-N 312.251 5.057 30 10 DKEE CCCCCCCC[C@](C)(O)c1ccccc1Br 114871930 ICGXWAPBONNMOK-INIZCTEOSA-N 313.279 5.407 30 10 DKEE CCCCCCCC[C@@H](NC)c1ncc(Cl)cc1Cl 128438614 GJQKMOWBZRLNMX-CQSZACIVSA-N 303.277 5.400 30 10 DKEE C[C@@H](N[C@H](C)c1ccc(C#N)s1)c1cccc(C(F)(F)F)c1 134655074 BFVHRRGFPKGVGX-GHMZBOCLSA-N 324.371 5.050 30 10 DKEE CSc1cccc(Nc2ccc(Cl)c(Cl)c2)c1C#N 136608752 ZSXQDLFFVNIDGE-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE CCCCCCCCNCc1cc(F)cc(C(F)(F)F)c1 159165624 ZPEGTZLLAQAKPB-UHFFFAOYSA-N 305.359 5.295 30 10 DKEE N#Cc1ccc(CSCc2ccc(Cl)cc2)c(Cl)c1 163437083 SPNMPEHXHWFHDY-UHFFFAOYSA-N 308.233 5.298 30 10 DKEE C=C(CC)CC(=O)c1ccc(Br)c(C(F)(F)F)c1 167867883 PRHPJCSFIIFTHH-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C=CCCCCCCNCc1c(Cl)ccc(Cl)c1Cl 312091127 ZIRMBZZMRQWHLR-UHFFFAOYSA-N 320.691 5.873 30 10 DKEE CC[C@@H]1CCCCC[C@@]1(C#N)Nc1cccc(Br)c1 691076350 MCDAXTDWYOUMQH-CJNGLKHVSA-N 321.262 5.114 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CCC(C)(C)C 698483265 JDZLJFXKHUAGAT-KBXCAEBGSA-N 310.482 5.131 30 10 DKEE Cc1ccc(NN=C(N=Nc2ccccc2)c2ccccc2)cc1 884973502 FTNMMFPAUKWAQX-UHFFFAOYSA-N 314.392 5.553 30 10 DKEE C=CC[C@@H]1CC=C[C@H](C)N1Cc1nc(-c2ccc(C)cc2)oc1C 1614351698 MTFVZLPVIHLNQS-QFBILLFUSA-N 322.452 5.054 30 10 DKEE CCCCCCCCC(=O)c1c(C)nsc1Br 1912973378 RHJKUPAQFSUTAR-UHFFFAOYSA-N 318.280 5.147 30 10 DKEE CCCCCCCCC[C@@]1(N)C[C@H](C)Sc2sccc21 1920209652 QKBYVAHCMYZLPL-WMLDXEAASA-N 311.560 5.927 30 10 DKEE CC(C)(C)CN(Cc1ccccc1)CC1(CS)CCCC1 1932038866 LXLBFFQAYCFOBL-UHFFFAOYSA-N 305.531 5.025 30 10 DKEE C#CCC[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2045765382 AGADWPSHTADPOV-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE C=CCCCCNc1ccc2cc(Br)ccc2c1 2059119248 LKVHTTBECXIBOM-UHFFFAOYSA-N 304.231 5.371 30 10 DKEE C[C@@H](c1ccc(C2CCC2)cc1)n1nc(C2CCCC2)cc1C#N 2070133519 DCIOCIVFPNOFOH-HNNXBMFYSA-N 319.452 5.289 30 10 DKEE C=C[C@@](C)(CNCC(C)C)Cc1cc(Cl)sc1Cl 2074843427 MAPDENJYEJPHBW-CQSZACIVSA-N 306.302 5.035 30 10 DKEE N#Cc1ccc(Cl)c(NCc2cc3sccc3s2)c1 2140595029 XQCZARWFHAKBJO-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE CCCCCCCCCC[C@@H](O)c1c(Cl)cncc1Cl 2149796026 ZHPDFNAHRZONSD-OAHLLOKOSA-N 318.288 5.953 30 10 DKEE C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)c2ccsc2S1 2152744316 LNTSLMMEVXTDLB-YMTOWFKASA-N 320.870 5.311 30 10 DKEE CCCCCCCCCC[C@@H](O)c1c(Cl)cnn1CC 2164499313 BTOLRQRRFPBIDB-OAHLLOKOSA-N 300.874 5.121 30 10 DKEE C=CCCC[C@@H](C)NCc1ccc(C(F)(F)F)c(Cl)c1 2164695176 SZLOHZDEOMUUIT-LLVKDONJSA-N 305.771 5.193 30 10 DKEE N#Cc1ccc(N2CCCC[C@@H]2c2cccs2)c(Cl)c1 2171823525 GMUTWLIFYSHGRO-OAHLLOKOSA-N 302.830 5.005 30 10 DKEE CCCCCCCCCCCCN1CCP(C)(=O)CC1 2195914410 FKAMUMYZGIAFNM-UHFFFAOYSA-N 301.455 5.216 30 10 DKEE CCCCCCCN(C)CCOc1c(Cl)cccc1Cl 2196714887 OQCTURRLDWLCLN-UHFFFAOYSA-N 318.288 5.274 30 10 DKEE CCCCCC#CC[C@](O)(CC)c1ccc(Cl)c(Cl)c1 2203778044 AHGIIBGDMQFFOY-QGZVFWFLSA-N 313.268 5.565 30 10 DKEE C#C[C@@H](N[C@@H](C)c1cc(Cl)ccc1Cl)C1CCCCC1 2203799526 ZLXQDNBPZLXBFK-YVEFUNNKSA-N 310.268 5.226 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1cccc(Cl)c1Cl 2206896214 BKMFSYUEQXJTJI-MRXNPFEDSA-N 314.300 6.171 30 10 DKEE CCCCCCCC[C@@H](O)c1c(OC)ccc(Cl)c1F 2207325388 JJNOGCCRXZCFPE-CYBMUJFWSA-N 302.817 5.272 30 10 DKEE CCCCCCC[C@@H](NC)c1c(OC)ccc(Cl)c1F 2207331573 PNBYTBLEPZXKBV-CYBMUJFWSA-N 301.833 5.109 30 10 DKEE CCCCCCCC[C@H](C)NC[C@H](C)N(C)Cc1ccccc1 2212662703 URGYNKXDJDJCJB-PMACEKPBSA-N 318.549 5.236 30 10 DKEE CCCCCCCC[C@@H](C)N[C@@H](C)CN(C)Cc1ccccc1 2212666227 DQEQRQJJGIVWFY-UXHICEINSA-N 318.549 5.236 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Br)oc1C 2220094995 YJIMLFHDNDWJSI-AWEZNQCLSA-N 314.267 5.267 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(Br)cc1CC 2221730914 GSEUZDHIDBPJDM-INIZCTEOSA-N 310.279 5.018 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@H](NC)c1sccc1Cl 2240642681 PHNBWCBJVIOQJU-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE SCCCCCCCSc1ccccc1Br 2245907072 WOCNWCJSMBFRFV-UHFFFAOYSA-N 319.333 5.422 30 10 DKEE CCCCCCC[C@](C)(O)c1nc(C(F)(F)F)c(C)s1 2295484574 DPOPNSBMIFQYKQ-ZDUSSCGKSA-N 309.397 5.038 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](N)c1cc2sccc2s1 2295517198 KNESAWIVKMNOPJ-BLLLJJGKSA-N 311.516 5.074 30 10 DKEE CC(=CC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 2297364041 FLJFDYPPRAGEJU-UHFFFAOYSA-N 306.192 5.192 30 10 DKEE COc1ccc(NN=CC=C(Cl)c2ccc(Cl)cc2)cc1 2297534054 MBBOFEWOKSIOAL-UHFFFAOYSA-N 321.207 5.026 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(Cl)c1Br 2304026074 YDASINWRZACIOV-KBPBESRZSA-N 316.670 5.095 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1c(Cl)cccc1Cl 2344395638 JYQHSRSFDMMMGV-HNNXBMFYSA-N 300.273 5.636 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NN)c1cc(Cl)c(Cl)c(Cl)c1 2344460535 RPNYRNPUOWAALX-KBPBESRZSA-N 321.679 5.144 30 10 DKEE C[C@H]1CCCC[C@@]1(C#N)Cc1cc(F)c(Cl)cc1Cl 2349797436 PUIIJGRHUSWCPE-BONVTDFDSA-N 300.204 5.395 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353067408 XYQLRXPFMAWNMD-YPMHNXCESA-N 300.273 5.697 30 10 DKEE C=CC[C@@H](C)SC[C@H](NCCC)c1c(F)cccc1Cl 2360328694 WNLKEAVXXJYCRZ-DOMZBBRYSA-N 315.885 5.218 30 10 DKEE C=CCC(CC=C)Sc1cc(C)sc1CN[C@H](C)CC 2360375424 OSKKFNDZCFFWCI-CYBMUJFWSA-N 309.544 5.558 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1ccc(-c2cccs2)s1 2364083401 LJNGKXMWZAKIAI-QGZVFWFLSA-N 303.496 5.506 30 10 DKEE Cc1c([C@@H](O)[C@]2(C#N)CCCC2(C)C)ccc(Cl)c1Cl 2366024716 PTFVINLWMUZGDF-GDBMZVCRSA-N 312.240 5.055 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1)c1c(Cl)ccc(F)c1Cl 35790393 LEOARHWQOVBTSY-SECBINFHSA-N 309.171 5.177 30 10 DKEE COc1cccc(/C=C/C(=O)c2ccc(SC(C)C)cc2)c1 83193104 LUZMTBQOAGSPEE-KPKJPENVSA-N 312.434 5.092 30 10 DKEE CCC[C@H](CS)COc1ccc(-c2ccccc2)cc1Cl 94582633 MKSWRSPHPMWBFU-AWEZNQCLSA-N 320.885 5.732 30 10 DKEE CCCCCCCOc1cccc(NCc2ccc(C)cc2)c1 100038810 PVAQHZVLLOIICX-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE Cc1cc(Cl)ccc1N/C=C\C(=O)c1ccc(C(C)C)cc1 103029998 IVILONZMDMRLNC-KHPPLWFESA-N 313.828 5.580 30 10 DKEE CSc1cccc(Oc2ccc(Cl)c(Cl)c2)c1C#N 136713468 OLUXRTLJRSRONW-UHFFFAOYSA-N 310.205 5.379 30 10 DKEE CCCCCCCCCCCC[C@H](NC)[C@@]1(C)CCCS1 143501510 YRKGEODATYUISW-RBUKOAKNSA-N 313.595 6.171 30 10 DKEE N#Cc1cc(CSc2cc(Cl)ccc2Cl)ccc1F 236151364 LBVKXCQMCBQXQY-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CC(=Nc1sc2c(c1C#N)CCCC2)c1ccc(Cl)cc1 252617273 KPNPFLWMTXFIDU-UHFFFAOYSA-N 314.841 5.293 30 10 DKEE CC1(C)C[C@H]2C[C@@](C)(C[C@H]2CC(=O)[C@@H](C#N)c2ccccc2)C1 256044894 XCDDSVQWOOULJE-OEMYIYORSA-N 309.453 5.105 30 10 DKEE CC[C@@H]1CCCCC[C@]1(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698855220 CMYFMNSHZSTEDW-VQIMIIECSA-N 322.493 5.132 30 10 DKEE CCCCCCCCCC(=O)c1oc(Br)cc1C 716221229 UBZLTWBRUDFFBD-UHFFFAOYSA-N 315.251 5.674 30 10 DKEE C=CCCCCCn1ccc2cc(OCc3ccccc3)ccc21 720864376 QATQRBDDLDFVQR-UHFFFAOYSA-N 319.448 5.967 30 10 DKEE CC(C)(C)c1ccc(C#Cc2ccccc2C(F)(F)F)cc1 1614755468 VAFNWVMHSAYSHM-UHFFFAOYSA-N 302.339 5.403 30 10 DKEE CCCCC/C=C\C/C=C\[C@@H](CCCCCCCCC)C(=O)O 1848438462 DLEPQQZPLVJQDI-VLBIZXNYSA-N 322.533 6.911 30 10 DKEE C=CCOc1ccccc1/C=C/C(=O)c1cccc2ccccc12 1874582249 FSIBMKQAJZPHJQ-CCEZHUSRSA-N 314.384 5.301 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1ccc(Cl)c(Cl)c1 1919914233 SWUVCEOLBSLBSA-MRXNPFEDSA-N 303.273 5.647 30 10 DKEE CC1(C[C@]2(C#N)CCCCN2C(=O)OC(C)(C)C)CCCCC1 1935605069 CCEFQYZOXCLJOW-IBGZPJMESA-N 320.477 5.030 30 10 DKEE CCCCCCC[C@H](O)c1c(C)sc(C)c1Br 1940500233 ONQOFPSJNKBQDC-LBPRGKRZSA-N 319.308 5.521 30 10 DKEE COc1ccc(C#N)c(N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1 1946843011 UVFRTIHCKJFMEF-INIZCTEOSA-N 322.452 5.008 30 10 DKEE CCCC[C@@](C)(C#N)Cc1ccc(Cl)c(Br)c1 2001857870 XMTQTZIEVFXMSB-CQSZACIVSA-N 314.654 5.365 30 10 DKEE C=CCCCC[C@@H](NCCC)c1sccc1Br 2009485680 XVDFPGXOBGJGIV-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE C=C(c1ccccc1)[C@@H](O)c1cccc(OCc2ccccc2)c1 2020527856 FJCAJVJGLWLNGK-JOCHJYFZSA-N 316.400 5.012 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(Br)c(C)c1 2040532525 FPSRBWDRQTVMMC-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE N#C[C@@H](c1ccccc1Br)[C@H]1CCC2(CCCC2)C1 2098998670 NADNVYHEXJIBKM-DZGCQCFKSA-N 318.258 5.417 30 10 DKEE N#Cc1sc(-c2ccsc2Cl)c(-c2cccs2)c1N 2119871918 JVDGMXBITRROBK-UHFFFAOYSA-N 322.867 5.312 30 10 DKEE N#Cc1cc(NCc2cc3sccc3s2)ccc1Cl 2140593812 OENYQVIGDAOHFE-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE CC[C@](C#N)(C(C)C)[C@H](O)c1cc(-c2cccs2)cs1 2184377329 HJUYWKBVICIMOE-CVEARBPZSA-N 305.468 5.086 30 10 DKEE CC#CCCC[C@H](N)c1ccc(-c2ccccc2Cl)s1 2194066461 USBVGMAIPRJLPM-HNNXBMFYSA-N 303.858 5.262 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2206799646 HCLWMPDLVXKFMI-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@@H](CS)C1CCC1 2217708650 SOVFWBGPWODGNK-NSHDSACASA-N 305.270 5.027 30 10 DKEE C=CCCCCCCCNc1ccc(Br)cc1CC 2227275950 ZNQXISTXSFUVFL-UHFFFAOYSA-N 324.306 5.950 30 10 DKEE CCCCCCCC[C@H](C)N[C@H]1CC[C@H](P(C)(C)=O)C1 2240658507 TZDKIDXBECJEOE-ULQDDVLXSA-N 301.455 5.259 30 10 DKEE C=CCCSC[C@@H](NCC)c1cc(Cl)cc(Cl)c1F 2271595840 CCWBPGQBTDBJMX-CYBMUJFWSA-N 322.276 5.092 30 10 DKEE C=C(CC)C[C@H](OCCN)c1c(Cl)ccc(Cl)c1Cl 2276878058 PVKUUKKSMXBZEK-LBPRGKRZSA-N 322.663 5.020 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(Br)cs1 2304027690 KNCKEKKKZGPKBH-UONOGXRCSA-N 316.308 5.154 30 10 DKEE CCCCCCCCCC[C@H](CC1(C)OCCO1)NCCC 2353324039 LMIWGCIDHYSWMN-GOSISDBHSA-N 313.526 5.039 30 10 DKEE CCCCCCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1C 2364019542 OIOJXELZIQYWNP-OAHLLOKOSA-N 316.316 5.922 30 10 DKEE Cc1cc(C)c([C@@H](C#N)Cc2c(F)cccc2Cl)c(C)c1 57740247 MXNQOAVUEICVGD-CQSZACIVSA-N 301.792 5.254 30 10 DKEE COc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1C(C)C 83201631 USODJSUOUBXAEX-CSKARUKUSA-N 319.404 5.196 30 10 DKEE SCC1(CSc2cccc(Cl)c2)CCCCCC1 94589403 DSWSQOKHRQBOIA-UHFFFAOYSA-N 300.920 5.703 30 10 DKEE C[C@@H]1c2ccsc2CCN1CCCCCCCCCS 97799313 PGQNXJUQQQJIKG-OAHLLOKOSA-N 311.560 5.328 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(Cl)cc1)NCCC 109723254 FFEJYNGLVXFDLP-LJQANCHMSA-N 309.925 6.001 30 10 DKEE CC[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)c(Cl)c1 126264777 CVSMODWNBRBNBT-HNNXBMFYSA-N 323.198 5.567 30 10 DKEE ON=C1CCC=CCCC=CCC[C@H]1SCc1ccco1 254453146 XDBJADJNAUYMHZ-QGZVFWFLSA-N 305.443 5.178 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@@H](O)c2cc(Cl)cs2)C1 688340388 BUHGCUNFTDMTRT-ZDUSSCGKSA-N 311.878 5.181 30 10 DKEE C=CCC[C@H](NCCC)c1cc(C(F)(F)F)ccc1Cl 695072404 SGBGDAMFYWVSID-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=C1C[C@H]2CC(NCc3cc(Cl)sc3Cl)C[C@@H](C1)C2 697268894 CWHIKPBXCTWDDL-QYJAPNMZSA-N 316.297 5.279 30 10 DKEE O=C1/C(=C/c2c(Cl)ccc(Cl)c2Cl)Nc2ccccc21 1088707554 ZLTBYDZYISINHV-QPEQYQDCSA-N 324.594 5.296 30 10 DKEE O=C(ON=C1CCCCCCC1)c1ccc(Cl)c(Cl)c1 1860820775 KSRSMSZOPMQSRD-UHFFFAOYSA-N 314.212 5.251 30 10 DKEE CCCCCCCCCCNC(=O)c1cn(C)c2ccccc12 1874094624 MLPRNQHZECJWCK-UHFFFAOYSA-N 314.473 5.049 30 10 DKEE O=C(/C=C/c1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 1874719101 BSJLIRNLPDYYIM-OVCLIPMQSA-N 316.356 5.081 30 10 DKEE CC(C)(C)CN(CCCCC(C)(C)C#N)Cc1ccccc1 1932048040 TWGKAMQTWKGESH-UHFFFAOYSA-N 300.490 5.255 30 10 DKEE C=C(CN(Cc1ccccc1)[C@@H](C)C(C)(C)C)c1ccccc1 1990766810 COFQUGWZHLZOHZ-IBGZPJMESA-N 307.481 5.637 30 10 DKEE CC1(C)OB([C@@H]2C[C@@H]2[C@H]2C[C@@H]2C2CCCCCC2)OC1(C)C 1993064758 RNDMEJCRQWNWRC-YYIAUSFCSA-N 304.283 5.075 30 10 DKEE C=CCCCCCC[C@H](CCCOCc1ccccc1)NCC 1995172877 GYMKTSCVAHNJED-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE C=CCC[C@H](C)C[C@H](NCC)c1ccc(Br)cc1 2050513503 PNPUYKCHODHVAL-BBRMVZONSA-N 310.279 5.092 30 10 DKEE C=CCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2105120012 SIFXBWGLTRRKRP-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(C)c(Br)c1 2105781517 XDMASGCPHRUZAQ-AWEZNQCLSA-N 324.306 5.401 30 10 DKEE C=C1CCC(CC[C@@H](NC)c2ccc(Br)cc2)CC1 2113415572 UEEZUHASFHERTK-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1cc2sccc2s1 2140592882 BUFRLODZQRKJPB-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE CCCC(CS)(CCC)CN1CCSC(CC)(CC)C1 2170899846 LYOOLJRQIUYHRK-UHFFFAOYSA-N 317.608 5.110 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cc(C(F)(F)F)cs2)CC1 2181663482 SDJQGWSARVPCHR-JTQLQIEISA-N 302.361 5.332 30 10 DKEE CCCCCCCCCN(C)[C@H]1CS[C@H](C(F)(F)F)C1 2195537407 PBJRPOBRBKVBQD-KGLIPLIRSA-N 311.457 5.105 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cc2cscc2s1 2196170169 UJOXNYRNWXBCLK-HNNXBMFYSA-N 305.512 5.587 30 10 DKEE CCCC#CC[C@H](NCCC)c1cscc1C(F)(F)F 2203787422 MRFUBKQEZLKFPR-AWEZNQCLSA-N 303.393 5.001 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)cc1CC 2221738972 LBSWFZKAELQZQO-UHFFFAOYSA-N 311.263 5.555 30 10 DKEE CCCCCCCCCOc1ncc(Br)cc1F 2223239905 HCRQCSKCVNKAPU-UHFFFAOYSA-N 318.230 5.113 30 10 DKEE C=C[C@](C)(CN[C@H](C)CC)Cc1ccc(Cl)c(Cl)c1 2231509678 GTRPVJRHWBWTPZ-WBMJQRKESA-N 300.273 5.116 30 10 DKEE Cc1cc(C)c(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)s1 2234290459 XTOVJMVJFROKTM-LLVKDONJSA-N 324.232 5.162 30 10 DKEE C=CCCCCCCCNc1cc(Cl)c(F)c(Cl)c1F 2235521260 HXKNLYOVGJMDHW-UHFFFAOYSA-N 322.226 6.210 30 10 DKEE C=CCC[C@@H](C)[C@H](Cc1cccc(Cl)c1Cl)NCCC 2235756134 HQSYGTSJMWWJSM-CJNGLKHVSA-N 314.300 5.506 30 10 DKEE C=CCCCCC[C@H](N)c1scc(Br)c1Cl 2242661921 QEWUFTBDZUYLKZ-JTQLQIEISA-N 322.699 5.300 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(C)cc(Br)c1F 2259180597 BGXQTKYTSPTYIO-AWEZNQCLSA-N 314.242 5.033 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Br)cc(C(C)C)c1 2271798135 NXGGWUHSEJJQCO-KRWDZBQOSA-N 324.306 5.709 30 10 DKEE CCCN[C@@H](CC=CC#CC(C)(C)C)c1ccc(Cl)s1 2284085505 FJFANHGRVIKEAL-AWEZNQCLSA-N 309.906 5.438 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccc(-c2cccs2)s1 2287469403 GEJBSPKBMSYJTM-AWEZNQCLSA-N 305.512 5.874 30 10 DKEE CCCCCCCCC[C@H](CCSCC)OCCCN 2293464812 YNTGAYZTEZLGMT-QGZVFWFLSA-N 303.556 5.004 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1cc(Cl)cc(Cl)c1 2294033982 WTLYQNQMZIRAFY-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE CCCCCCC[C@@](C)(OCCCN)c1ccc(Cl)s1 2294281053 IKMYQLVONHTZRA-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE CCCCCCCCC[C@@H](C)Nc1ccc(Cl)nc1Cl 2295674065 NMDGCSQMQKXTSS-CYBMUJFWSA-N 317.304 6.330 30 10 DKEE Cc1ccc(C)c(C(=O)C=CNc2cc(Cl)cc(Cl)c2)c1 2296876484 ZVJRHTJZRZSJDA-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE N#CC1(CSCc2ccc(Br)cc2)CCCCC1 2318739951 GGBIRWFUNKYRRX-UHFFFAOYSA-N 324.287 5.156 30 10 DKEE C=CC[C@H](C)SC[C@H](NCCC)c1c(F)cccc1Cl 2360328699 WNLKEAVXXJYCRZ-WFASDCNBSA-N 315.885 5.218 30 10 DKEE C=CCC(CC=C)Sc1cccc(Cl)c1[C@H](C)NCC 2360367299 HMFRSYWNUDAMPK-ZDUSSCGKSA-N 309.906 5.623 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(Cl)c(Cl)c1C 2366025597 UEIBHUCSVKUDMQ-HZPDHXFCSA-N 314.256 5.445 30 10 DKEE C=CCCCCCC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2366806258 RJANELPXLYXCQE-KRWDZBQOSA-N 314.300 5.780 30 10 DKEE N#C[C@@]1(Cc2cc(F)c(Cl)cc2Cl)CCCC(F)(F)C1 2377393781 BHBJOPCTLBIEJH-CYBMUJFWSA-N 322.157 5.394 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(Cl)c(C)c2)cc1 83193040 LMYHWBOZEHUGHU-IZZDOVSWSA-N 314.812 5.333 30 10 DKEE CCC1CCC(C#N)(Cc2cc(Br)ccc2F)CC1 87933710 GHJMJKSJOTUQDI-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@H](O)c2c(Cl)cccc2Cl)C1 91880780 SPEPAHAMMBPUDI-LYRGGWFBSA-N 312.240 5.137 30 10 DKEE SCCCCCCCCCN1CCCCc2ccccc21 97799141 QQEIAOOWZYXLMI-UHFFFAOYSA-N 305.531 5.490 30 10 DKEE CCCCCCCCN[C@@H](CC)c1ccc(OCCOC)cc1 100048496 CABLHTKIROHAGJ-FQEVSTJZSA-N 321.505 5.113 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(C)c(F)cc1Cl 156344055 BXBJEVRLLJJNPV-SFHVURJKSA-N 313.888 6.189 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(C)ccc1Br 158064447 DEZCXJCLNCBEIX-MRXNPFEDSA-N 312.295 5.379 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ccc(F)c(F)c1F 162295531 DCELFJWICNLONT-OAHLLOKOSA-N 301.396 5.635 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1sccc1OC 162359835 RMEUMGHXSMJDKX-INIZCTEOSA-N 311.535 5.938 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(C)cc2)C1 222243457 QWOOKFSVXJCGCH-JZXOWHBKSA-N 301.499 5.832 30 10 DKEE CC(C)c1cccc(Oc2cc(Br)cc(C#N)c2)c1 227633612 GZSYCMRYONPVLF-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(Cl)cc1OC 229274931 DVKKABJGPWGZNA-KRWDZBQOSA-N 312.881 5.913 30 10 DKEE CCCCCCCCCC[C@H](O)c1scc(C)c1Cl 232921384 ICVYCCVOMZMVMA-AWEZNQCLSA-N 302.911 6.274 30 10 DKEE Cc1ccc(Cl)c(Nc2nc(Cl)c(C#N)s2)c1Cl 311122274 HKQIASBWXZOHFI-UHFFFAOYSA-N 318.616 5.027 30 10 DKEE COc1ccc(Cl)cc1C#Cc1cc(Cl)ccc1Cl 587900385 OEIZWGVFNJOEPG-UHFFFAOYSA-N 311.595 5.055 30 10 DKEE CCC[C@H]1CCC[C@@](C#N)(N(CCC)C(=O)OC(C)(C)C)CC1 698965233 OXHXWRMZVMVASB-QFBILLFUSA-N 322.493 5.276 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(C)c(Br)c1 715809920 AWPCATXCEHGNAM-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE C=C1CCC(CN[C@H](CC)c2cccc(Br)c2)CC1 724446749 LHYRFIRVEOZNAV-QGZVFWFLSA-N 322.290 5.236 30 10 DKEE C/C(=N\OCc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 1857935395 GDJXZQKVMZXICX-XQNSMLJCSA-N 319.379 5.434 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)C[C@H](C#N)C1CCC1 1915401633 WWIFRHKNKMNUNQ-LPHOPBHVSA-N 324.493 5.251 30 10 DKEE CCCCCCCCCC(=O)[C@](C)(O)c1ccc(Cl)s1 1919421370 DVZTXAQDZXSCIB-INIZCTEOSA-N 316.894 5.319 30 10 DKEE N#CC1(CN(Cc2ccccc2)C2CCCCC2)CCCCC1 1979312854 ULZOGUNLBAPBNE-UHFFFAOYSA-N 310.485 5.295 30 10 DKEE C[C@H]1CC=C(C(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 2081458026 VDQJGEYYFRZMHX-QMMMGPOBSA-N 303.616 5.576 30 10 DKEE CCCCCCCCC[C@@H](NN)c1ccc(SC)s1 2093283102 WFYFZPNXJGQHQC-CYBMUJFWSA-N 300.537 5.115 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(C)c(Br)cc1C 2136384992 WLJSMSKHLLKKRC-KRWDZBQOSA-N 324.306 5.463 30 10 DKEE CCCCCCCCC[C@H](N)c1c(F)ccc(Cl)c1F 2154600976 YIHFJENYFDPWHR-AWEZNQCLSA-N 303.824 5.759 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(F)c(Cl)c1F 2200724902 ZQZTWAZOLBLWRL-UHFFFAOYSA-N 324.242 6.434 30 10 DKEE CCCCCC#CC[C@@H](O)c1cc(-c2cccs2)cs1 2203783367 LDNDTNZFEUUFFL-OAHLLOKOSA-N 304.480 5.484 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cscc1C(F)F 2207426676 FFUMESASYHUYHA-HNNXBMFYSA-N 301.446 5.992 30 10 DKEE CCCCCCCC[C@H](C)Nc1cnn(Cc2ccccc2)c1 2212667906 PYZLWNGJWSHEGI-SFHVURJKSA-N 313.489 5.482 30 10 DKEE C=CC[C@H](C)OCc1c(Br)sc2ccccc12 2213058282 WXJRNXUZAQDHHO-JTQLQIEISA-N 311.244 5.145 30 10 DKEE C=CCC[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2254738847 KWDDJHTYAGQGRH-INIZCTEOSA-N 310.279 5.189 30 10 DKEE SCCCCCCCCCn1nc(Cl)c2ccccc21 2296312198 CKKBUYNLNSBINN-UHFFFAOYSA-N 310.894 5.350 30 10 DKEE CCSc1ccc(C(C)=NOCc2ccc(Cl)cc2)cc1 2330501057 NMZKTONHDGUCSD-UHFFFAOYSA-N 319.857 5.393 30 10 DKEE C=C[C@H](C)C[C@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2338895617 PMXADQXPRWWFGH-SMDDNHRTSA-N 300.273 5.035 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1c(Cl)ccc(Cl)c1F 2344340525 SEYMDRCKYCWVKM-LSDHHAIUSA-N 304.236 5.385 30 10 DKEE Cc1c(F)ccc(COCC2(CS)CCCCC2)c1Cl 2364855618 YGSRFRLFIPLGJG-UHFFFAOYSA-N 316.869 5.184 30 10 DKEE N#Cc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 82237909 HPHBVTVDHLFAHJ-UHFFFAOYSA-N 311.797 5.079 30 10 DKEE CC(C)Oc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 83204219 GYHAKZHDRCFPEQ-LFYBBSHMSA-N 300.785 5.023 30 10 DKEE CC(C)Oc1ccc(/C=C/C(=O)c2ccc(OC(C)C)cc2)cc1 83204909 NKJRTLMTXKFJAX-VGOFMYFVSA-N 324.420 5.157 30 10 DKEE N#C[C@H](C(=O)C1CCCCCCC1)c1ccc(Cl)cc1Cl 86580087 DYSZZPJWYIZSKJ-HNNXBMFYSA-N 324.251 5.530 30 10 DKEE CCCCCCC[C@@H](NCCC)c1c(Cl)cnn1CCC 127394701 GINMAPXVFZSQMW-MRXNPFEDSA-N 313.917 5.348 30 10 DKEE Cc1ccc(Sc2ccc(C(F)(F)F)c(C#N)c2)cc1C 164512360 FGUGRBVJKURGSE-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CCOc1ccc(/N=C/c2ccc(OCC)c3ccccc23)cc1 207135230 IWZQIRNCCJSAEZ-PXLXIMEGSA-N 319.404 5.388 30 10 DKEE CCCCCCCCOc1cc(Br)cc(F)c1F 219896765 VQDTVCKADLDCRU-UHFFFAOYSA-N 321.205 5.467 30 10 DKEE CCCCCCCC[C@](O)(CC)c1ccc(Cl)c(Cl)c1 307873162 DGMZABWQZYLSTR-QGZVFWFLSA-N 317.300 6.342 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccccc1NC(=O)OC(C)(C)C 407685496 MQVKKAUFRZKBME-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468004 GPFZYDVTALINEZ-KRWDZBQOSA-N 316.445 5.209 30 10 DKEE Cc1cc(Cl)c(NCc2ccc(C)c(C#N)c2)cc1Cl 701827724 JHHQAEWYLNISEE-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(Cl)sc1Cl 709386662 RLMSEXOERGNGKT-NQBHXWOUSA-N 318.313 5.840 30 10 DKEE CCC[C@@](C#N)(C1CCCC1)N(C(=O)OC(C)(C)C)C1CCC1 712384534 UHXATIUOAMIWPY-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Br)cc1C 715814410 RKMOUONOPBWXNY-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE C=C1CCC(C[C@H](NC)c2ccc(C)cc2Br)CC1 724549409 MVNQQXHPEHYYKB-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CCCCCCCC[S@](=N)(=O)c1ccc(Cl)c(Cl)c1 1917895709 YDKIEEJWXVDROT-IBGZPJMESA-N 322.301 5.760 30 10 DKEE C=C([C@H](NCCC)c1csc2ccccc12)[Si](C)(C)C 1922870236 SHKAOLVMJPOESB-KRWDZBQOSA-N 303.547 5.376 30 10 DKEE C=CCCCCCCCC[C@H](NC)[C@H](C)OCc1ccccc1 1995325791 OWMNVMUJEVYIGN-FPOVZHCZSA-N 317.517 5.487 30 10 DKEE C=C(C)CC[C@H](NCC)c1cccc(Cl)c1Br 2000383048 UQEHDVBHZXKXDR-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE CCCCCC#CCNc1ccc(Cl)cc1Br 2024349407 LZSVJCVQTJMGTI-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE Cc1ccc([C@@H](C)n2nc(C3CCCCC3)cc2C#N)c(C)c1 2070092404 XPPMUWMFRAXBKX-MRXNPFEDSA-N 307.441 5.029 30 10 DKEE C=CCCCC[C@H](NC)c1cc2cccc(Br)c2o1 2123089016 OLCRRXOHMZKROV-AWEZNQCLSA-N 322.246 5.202 30 10 DKEE CCc1cc(Br)cc2c(C(C)(C)CC)c(C#N)oc12 2137728934 KVUKHGZIKDEBJF-UHFFFAOYSA-N 320.230 5.317 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(C)c(Br)c(C)c1 2141912868 CLSXHBRYPZLWFI-MRXNPFEDSA-N 324.306 5.592 30 10 DKEE N#C[C@]1(Cc2ccc(Cl)c(Cl)c2)CCCCC12CCC2 2173619270 PBFLRTSWYCNZPK-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE C[C@@H](Nc1cc(Cl)c(F)cc1C#N)c1cccc(Cl)c1 2184457755 IENFBPOYEUERON-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCC[C@](C)(N)c1c(Cl)ccc(Cl)c1OC 2204253121 LDUADSWPXJBCDI-INIZCTEOSA-N 318.288 5.536 30 10 DKEE C=CCCCCCCCCCC(=O)C[C@H](C)P(C)(C)=O 2207428709 BMUJQTGKGBUKQE-INIZCTEOSA-N 300.423 5.654 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ccc(Cl)c(Cl)c1 2207433961 DFXVRIWOTNOFRI-QGZVFWFLSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCCN[C@H](C)c1ccc(Cl)cc1Cl 2235524849 USYLJHNFLYHVLN-CQSZACIVSA-N 314.300 6.171 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(Cl)cc(Cl)c1 2238011850 GMFZQIHGPZKFRZ-OGHNNQOOSA-N 312.284 5.779 30 10 DKEE CCCCCCCCCCOc1[nH]c(=N)c(Cl)cc1Cl 2239494754 HTFOFLBZKUCSGQ-UHFFFAOYSA-N 319.276 5.320 30 10 DKEE CC(C)=C(C)C(=O)c1c(Cl)cc(Br)cc1Cl 2243525706 DJZWSDVXVCZFFS-UHFFFAOYSA-N 322.029 5.295 30 10 DKEE C=CCCC[C@H](O)c1c(Cl)cc(Br)cc1Cl 2243526627 WNIXPRLRRNMMQH-NSHDSACASA-N 324.045 5.146 30 10 DKEE C=C1CCC(C[C@H](O)c2cc(Cl)c(OC)cc2Cl)CC1 2281533929 WVYLYVAXLMVBPK-HNNXBMFYSA-N 315.240 5.172 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@@H](O)CC=CC#CC(C)(C)C 2286494202 PEDYLVTVDWTROT-INIZCTEOSA-N 311.252 5.331 30 10 DKEE CSCC1(C[C@]2(C#N)CCCC(C)(C)C2)CC(F)(F)C1 2289656381 NCMQGCJRIQACIT-AWEZNQCLSA-N 301.446 5.265 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1cscc1C(F)F 2295599369 REAHWLGCQONMCX-MRXNPFEDSA-N 303.462 6.000 30 10 DKEE C=CC[C@H](C)[C@H](CCCc1cc(Cl)cc(Cl)c1)NC 2344343013 BQDPHQVWNBVDOG-LRDDRELGSA-N 300.273 5.116 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@@](C)(CS)C(C)(C)C 2352106536 GJRSWVDXOLYYBV-HNNXBMFYSA-N 321.313 5.663 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1ccc(Cl)c(Cl)c1C 2364537517 LULPJWXEZMQYQQ-KRWDZBQOSA-N 312.284 5.721 30 10 DKEE CSc1cccc(OCc2cccc(Cl)c2Cl)c1C#N 2364753672 MSDAQKLIYWAFLQ-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE CCCCC#CC[C@H](NCC)c1c(Cl)cc(F)cc1Cl 2366402207 YAGGYTTYWGEPCN-HNNXBMFYSA-N 316.247 5.367 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cscc1C(F)(F)F 2370518174 IGLVINQARQSOLE-ZDUSSCGKSA-N 305.409 5.410 30 10 DKEE Cc1cccc(N/N=C(\c2ccccc2)c2ccc(F)cc2)c1C 3908993 MLQHNGSCFVDTFK-DARPEHSRSA-N 318.395 5.307 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(C(C)(C)C)cc2)C1 37156494 RRTUDLPOEMPMOD-IIDMSEBBSA-N 301.499 5.795 30 10 DKEE Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(Cl)n2)cc1C 83194081 RITMBTVIWKZCKK-UHFFFAOYSA-N 318.807 5.558 30 10 DKEE CCc1ccc(/C=C2/CC/C(=C\c3ccc(CC)cc3)C2=O)cc1 104375657 JVJMHUCDTNTGGY-KBNZVFGVSA-N 316.444 5.641 30 10 DKEE CCCCCCCCNCc1ccc(Br)cc1F 105807650 GWWFTESFOOBJRR-UHFFFAOYSA-N 316.258 5.038 30 10 DKEE CCCCCCCCO[C@H](CNCC)c1cccc(Cl)c1 110070339 VMAQEMYCQLGGDJ-GOSISDBHSA-N 311.897 5.368 30 10 DKEE Cc1ccc(C#N)c(N[C@@H](C)c2ccc(Cl)cc2Cl)c1 110465372 ALHXJUVHPDCKPU-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Br)s1 114419468 PYVBSOMWKXODGQ-LLVKDONJSA-N 305.281 5.295 30 10 DKEE CCCCCCCCCCCC[C@H](CSCCC)NC 115644480 RAHHZZQGZFGTDS-GOSISDBHSA-N 301.584 6.029 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H]1CSc2ccccc21 140320179 NQMYNCFJXVSBIM-ROUUACIJSA-N 305.531 5.605 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ncccc2Cl)C1 227473164 BBBWJFHIPUJUJO-BZPMIXESSA-N 308.878 5.182 30 10 DKEE CC1(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)CCCCC1 232829492 BUONBLPTSPQTHN-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C#N)c1 306404880 AGUCAOYKHMLFND-UHFFFAOYSA-N 312.416 5.074 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCCC1(C)C 719221017 MFFDNNQXDBHQDY-LJQANCHMSA-N 322.493 5.132 30 10 DKEE O=C1/C(=C/c2cccs2)[C@H](c2ccccc2)c2ccccc21 1088701366 DIWNXQFVJGLQQR-HJDVLLJCSA-N 302.398 5.160 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1cscc1OCc1ccccc1 1934837671 GYHFGIKYWUGBDS-MRXNPFEDSA-N 321.873 5.120 30 10 DKEE CCC(C#N)(CC)Cc1cc(Cl)c(C)c(Br)c1 2002348092 KCAYIBATKJRIEE-UHFFFAOYSA-N 314.654 5.283 30 10 DKEE C=CC[C@@H](C=C)OCc1cc(Cl)c(C)c(Br)c1 2002348574 RUXGWQAOWOKRGX-GFCCVEGCSA-N 315.638 5.058 30 10 DKEE COc1cccc(C=CC(=O)c2ccc(-c3ccccc3)cc2)c1 2040455005 LUJBCJPEFFVHRM-UHFFFAOYSA-N 314.384 5.258 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1ccc(Br)cc1 2085842003 MORGEDSGAJAFLT-MRXNPFEDSA-N 310.279 5.150 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H](NC)c1ccc(Cl)s1 2147654533 NRWLQNBEESASAV-XJKSGUPXSA-N 317.926 5.164 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(SC(F)(F)F)cc1 2179683459 UKUURGUNCQPWSI-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=CCC(C)(C)OC[C@@H](NCC)c1ccc(Cl)cc1Cl 2187282624 CSSJTDLOPSYFTI-OAHLLOKOSA-N 316.272 5.015 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Cl)c(F)cc1C 2201708253 JDJUXUVFTWUHBP-QGZVFWFLSA-N 300.845 5.962 30 10 DKEE C=CCC[C@H](NCCC)c1ccc(Cl)c(C(F)(F)F)c1 2206800345 CKTUMYCEFMUCGZ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCCCOCC1(Br)CCC1 2213512227 RSNXKYKIMUKPGA-UHFFFAOYSA-N 303.284 5.237 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1snc(Cl)c1Cl 2227270369 DTUWTWZQWRVCCN-LLVKDONJSA-N 321.317 5.627 30 10 DKEE C=C[C@](C)(CN[C@@H](C)CC)Cc1cc(Cl)cc(Cl)c1 2231522872 ZCZSLKWYUWPYAE-LRDDRELGSA-N 300.273 5.116 30 10 DKEE N#Cc1cc(Cl)nc(SCCCCCCCC2CC2)c1 2239329966 VLUVDPXGFDEXLA-UHFFFAOYSA-N 308.878 5.449 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(F)c(Cl)c(F)c1 2240622483 UGMJEKOXOZCLKO-MRXNPFEDSA-N 304.808 5.576 30 10 DKEE C=C(C)CCCCNc1cc(Cl)c(Br)cc1F 2250191262 SLDFBKYTGYGVBV-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE CC(C)c1cc(Br)cc([C@@H]2CC[C@@](C)(CC#N)O2)c1 2266017143 GBMIVXVBTHYOID-HOTGVXAUSA-N 322.246 5.096 30 10 DKEE COc1ccc2ccccc2c1C=C1Sc2ccccc2C1=O 2297236761 HSEKQHJCVWDGHS-UHFFFAOYSA-N 318.397 5.178 30 10 DKEE C=CCCCCCN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353015790 JADOKMLIYOCEPK-ZDUSSCGKSA-N 300.273 5.699 30 10 DKEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2cc(C)c(Cl)cc21 2362301811 CLLDQDUXSHAJPJ-BXUZGUMPSA-N 306.862 5.204 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2377331436 JIZCIBUGVNWQJV-INIZCTEOSA-N 318.263 5.920 30 10 DKEE CCCCCC(=O)Oc1ccc(/N=N/c2ccc(C#N)cc2)cc1 3894604 MOKZWRWUQFDERA-QURGRASLSA-N 321.380 5.459 30 10 DKEE biogenic N#C[C@H](C(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl 36931097 SSMUDVZXTMKGSE-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE Oc1cc(-c2ccc(F)c(C(F)(F)F)c2)cc(C(F)(F)F)c1 65344395 GXGPDWDSFDKJPN-UHFFFAOYSA-N 324.195 5.236 30 10 DKEE N#C[C@]1(Cc2c(Cl)cccc2Cl)CCc2ccccc2C1 87998253 NWOWFFMKYIMWCB-GOSISDBHSA-N 316.231 5.235 30 10 DKEE N#Cc1ccc(OCCSc2ccc(Cl)c(Cl)c2)cc1 88304080 SAHIZJRCDYIGIR-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE CC(C)(C)C1CC(C#N)(Sc2cccc(Br)c2)C1 90247897 QPQHTNIYPROJOP-UHFFFAOYSA-N 324.287 5.260 30 10 DKEE CCCCCCCCCCCc1nnc([C@@H](C)NCC)s1 116084220 AEUJVRJQFBFPIA-OAHLLOKOSA-N 311.539 5.282 30 10 DKEE CC(C)(C)C1CCC([C@@H](C#N)Nc2ccc(Cl)cc2)CC1 130046888 JULOPSMYCFMPJS-MQBCKMQZSA-N 304.865 5.497 30 10 DKEE CCCCCCCC[C@H](O)c1cc(F)ccc1C(F)(F)F 163916427 CXARGHGGZIZIRH-HNNXBMFYSA-N 306.343 5.629 30 10 DKEE CCCC1CCC(Nc2cccc(Br)c2C#N)CC1 168500895 CCTLRJJKZFBNTP-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc(Cl)ccc1F 229062241 YQBXEKXRMVGPPS-SFHVURJKSA-N 313.888 6.270 30 10 DKEE Cc1ccc(N=Cc2cc(Cc3ccccc3)ccc2O)cc1C 263630324 CYTPUAXLUPNLRV-UHFFFAOYSA-N 315.416 5.350 30 10 DKEE Cc1sc(C(C)(C)C#N)nc1-c1ccc(Cl)c(Cl)c1 307904904 VOEKMNXNUSVISA-UHFFFAOYSA-N 311.237 5.227 30 10 DKEE C=CCCCCCCN[C@@H](C)c1ccc(Br)s1 310170670 TWLMSEXEUAWMSM-LBPRGKRZSA-N 316.308 5.298 30 10 DKEE C=CCCCCN[C@@H](C)c1ccc(Br)cc1Cl 383347245 ZDKTZFZRJZKBEP-NSHDSACASA-N 316.670 5.109 30 10 DKEE CC[C@@H]1NC(=Nc2cc(Cl)c(Cl)c(Cl)c2)S[C@@H]1C 404182705 ADBGZBHQQHHCOA-LDWIPMOCSA-N 323.676 5.138 30 10 DKEE Fc1cc(-c2ccccc2C(F)(F)F)ccc1C(F)(F)F 514260606 YCAIARVDKJIPBJ-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCC(CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698878068 XORSESSVFHGCMJ-QGZVFWFLSA-N 322.493 5.275 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2ccc(Br)c(F)c2)C1 721909155 FMOHAILNXDXLQZ-WBMJQRKESA-N 324.237 5.241 30 10 DKEE Clc1ccc(C/N=C/c2nc3ccccc3s2)c(Cl)c1 1088681927 YMURHSSHPNKRTG-GIJQJNRQSA-N 321.232 5.222 30 10 DKEE CC#CCCCCNc1ccc2ccccc2c1Br 1885227365 IJNVFSPWTDRAHQ-UHFFFAOYSA-N 316.242 5.208 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1cccc(OCc2ccccc2)c1 1900973656 NIQZDOKUWVFMCL-OAQYLSRUSA-N 307.437 5.034 30 10 DKEE Cc1ccc(CN(Cc2ccccc2)[C@H](C)C(C)(C)C)cc1C#N 1946839151 KKYKITMZAPAEEF-GOSISDBHSA-N 320.480 5.304 30 10 DKEE CCCCCCCCNCc1sc(Br)cc1C 1950815993 DMOKNUBMBITXOU-UHFFFAOYSA-N 318.324 5.269 30 10 DKEE C=CCCCC[C@H](NC)c1ccc(Br)c(Cl)c1 2009481776 LNYLHCCZFUJREW-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE C#CCCCCCNc1ccc(Br)c(Cl)c1C 2023978467 TUAMSIMVIXOEHM-UHFFFAOYSA-N 314.654 5.016 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCCC(C)(C)C2)cc1Br 2112230544 DCZZFXAPSSYTCV-KRWDZBQOSA-N 320.274 5.410 30 10 DKEE Cc1cc(NCC#CC2CCCCC2)c(C)cc1Br 2138952654 NCMHBDWEQJEUKJ-UHFFFAOYSA-N 320.274 5.062 30 10 DKEE CCCCCCCCC[C@]1(N)CCC[C@H](P(C)(C)=O)C1 2160806901 RJJWDPPJRPAQHW-IRXDYDNUSA-N 301.455 5.390 30 10 DKEE Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2Cl)cc1C#N 2199341528 MSHLYZOVBUCDJZ-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(OC)c(Cl)cc1Cl 2203271635 WDPCEBYHXPBJMU-LBPRGKRZSA-N 318.288 6.163 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(Br)c(C)c1 2227290112 DGDJBAKPHPVJTP-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE C=CCCCCCCC[C@H](NC)[C@H]1SCCS[C@H]1CC 2235518410 GKMKOTJLZTXHHR-YESZJQIVSA-N 315.592 5.118 30 10 DKEE CCCCCCCCCCOc1cc(Cl)nc(SC)n1 2239499829 IPFUGLITYQNLSX-UHFFFAOYSA-N 316.898 5.371 30 10 DKEE C=C(C)CCCC[C@]1(O)CC[C@H](C)C[C@@H]1OCc1ccccc1 2244650621 KQSFNKAWHIIIIC-JBACZVJFSA-N 316.485 5.259 30 10 DKEE CCCCCCCCC[C@H](C)NCC/C=C/Br 2252957779 RCSAQLVKSKXESQ-VOMSXAGXSA-N 304.316 5.404 30 10 DKEE C=CCCCCCCCSc1cc(Cl)nc(C2CC2)n1 2287068105 JQOQSSTWBUYOEW-UHFFFAOYSA-N 310.894 5.626 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@](C)(F)CC[C@@H]1NC 2287190148 VDCUHDHSNUIDCZ-GVDBMIGSSA-N 301.515 5.115 30 10 DKEE CCC(=NOCc1ccc(C)cc1)c1ccc(OC(C)C)cc1 2330269764 OKFLAISVRUAMFS-UHFFFAOYSA-N 311.425 5.113 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(C)c(Br)c1 2344337563 RODWHMBIBVXMNX-SJORKVTESA-N 324.306 5.401 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NCCC)c1ccccc1Br 2344342939 MIGNQCCDCYQRNP-IAGOWNOFSA-N 324.306 5.482 30 10 DKEE COc1c(Cl)cc(C[C@@]2(C#N)CCCC[C@@H]2C)cc1Cl 2365736714 PEPNHCZYGSVDJC-MEDUHNTESA-N 312.240 5.265 30 10 DKEE C=C1C[C@H]1[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCCC 2367654438 SILWEPLLTFXMGZ-IAGOWNOFSA-N 312.284 5.260 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 2370618610 OPSYNWCPJQQZAT-UONOGXRCSA-N 306.755 5.385 30 10 DKEE C=C1CC(CNCCC)(Cc2cc(F)c(Cl)cc2Cl)C1 2377367312 AMFIDCUPMIRRPE-UHFFFAOYSA-N 316.247 5.011 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Sc1ccc(Br)cc1 37156693 YWIXTRBVTQWNAN-FZMZJTMJSA-N 310.260 5.014 30 10 DKEE N#Cc1c(F)cccc1NCc1cc(-c2cccs2)cs1 37268968 BHGUTLSTXLJDNJ-UHFFFAOYSA-N 314.410 5.099 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc(OC(C)C)cc2)c1 83204898 LEVDQSQUFNXWQM-MDWZMJQESA-N 324.420 5.159 30 10 DKEE N#Cc1ccc(Oc2ccc(Cl)c3ccccc23)cc1Cl 110262740 OQRWEMMOANUKDZ-UHFFFAOYSA-N 314.171 5.811 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)cc1[C@@H](C)O 110369700 PHYRWSRIKUARIJ-OAHLLOKOSA-N 312.881 5.913 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(C)c(C)cc1Cl 125490145 IVJSGPCSEZQQEF-IBGZPJMESA-N 309.925 6.358 30 10 DKEE CCCCCCCCCCNc1nc2ccc(Cl)cc2s1 129446086 QXKOWOLIVWBWCL-UHFFFAOYSA-N 324.921 6.502 30 10 DKEE CCCC1CCC(Nc2ccc(Br)cc2C#N)CC1 132265622 FBFXNUMWQMSVDP-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCC(=O)[C@H]1CSc2ccccc21 135628799 PXVXUDDZFZOOES-KRWDZBQOSA-N 304.499 5.976 30 10 DKEE CCSc1cccc(Nc2cc(OC)ccc2Cl)c1C#N 136651041 KBDWAIFOBGJOME-UHFFFAOYSA-N 318.829 5.076 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H]1CCCc2sccc21 140462005 ACEZOFKUOJMZFU-FUHWJXTLSA-N 307.547 5.897 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccccc1C(F)(F)F 157786713 BYEMXPUCWYIEKV-MRXNPFEDSA-N 301.396 5.846 30 10 DKEE C=CCCCCN[C@@H](C)c1ccc(OCc2ccccc2)cc1 309736535 QTIPFWPURUVYDA-SFHVURJKSA-N 309.453 5.273 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCC[C@H](C)C2)cc1Br 314292125 XYCPVRSMFJZTJZ-BLLLJJGKSA-N 306.247 5.020 30 10 DKEE Fc1cccc(-c2cccc(C(F)(F)F)c2OC(F)F)c1F 514254468 AMVLIAPBAIQKDU-UHFFFAOYSA-N 324.195 5.252 30 10 DKEE CCCCC[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468007 GPFZYDVTALINEZ-QGZVFWFLSA-N 316.445 5.209 30 10 DKEE CCCCCCCCC[C@H](O)c1c(F)ccc(F)c1Cl 705555052 ISDQJGBLUSFBHV-AWEZNQCLSA-N 304.808 5.792 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1ccc(OCc2ccccc2)cc1 715725629 ZSMUNLLKLGIWJQ-UWJYYQICSA-N 309.453 5.128 30 10 DKEE C[C@H]1CC([C@@H](C#N)c2ccc(Br)cc2)C[C@H](C)C1 719362932 XZVODJXPEZFLOE-HSMVNMDESA-N 306.247 5.129 30 10 DKEE CC[C@@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)C(C)C 720357027 JCJVSBWPSRQRKY-IBGZPJMESA-N 322.493 5.275 30 10 DKEE Cc1ccc(C=Nc2cc(Cl)c(Cl)cc2Cl)s1 1084424989 BFYOLDJUUJIWDL-UHFFFAOYSA-N 304.629 5.767 30 10 DKEE Cc1cccc2c1SC/C(=C\c1ccc(Cl)cc1)C2=O 1614719191 ZYNDDMWNOAJNTF-UKTHLTGXSA-N 300.810 5.020 30 10 DKEE CCCCCCCCNC(=O)Cc1ccc(Cl)cc1Cl 1859575280 SIRIBRMSBIYLGC-UHFFFAOYSA-N 316.272 5.013 30 10 DKEE CCCCCCCCCCN(C)Cc1cc(Cl)ns1 1883835592 SJZJWWLMKMBKEQ-UHFFFAOYSA-N 302.915 5.369 30 10 DKEE C=CCCCCC[C@](C)(O)c1cc(F)c(Cl)cc1Cl 1886358698 HKPGEUHZKXKUKD-HNNXBMFYSA-N 305.220 5.477 30 10 DKEE CCCCCCC[C@H](NCC)C1CC(OCc2ccccc2)C1 1976705379 YMOAUZPDOYEKNR-CBNMVNINSA-N 317.517 5.320 30 10 DKEE C=CCCCC[C@@H](NCCC)c1ccsc1Br 2009484512 MIVVQVJIVFROCE-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE N#Cc1sc(-c2c(F)cccc2C(F)(F)F)cc1Cl 2080389681 GXTZPHHJWWBKDG-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cccc(C)c2Br)C1 2087884048 AWQJSRPSWGHKOF-RHSMWYFYSA-N 320.274 5.410 30 10 DKEE CCCCC#CCOc1ccc2ccccc2c1Br 2139051691 HKRUZNCXKCGNEV-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(Cl)cc1Cl 2141913261 GMCXCAUCJGTXHK-MRXNPFEDSA-N 300.273 5.781 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 2141928231 WLSNXCPGQDDZOH-AWEZNQCLSA-N 302.245 5.136 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H](O)c1ccsc1Cl 2148594574 HBMCDKDLNFRZQR-GJZGRUSLSA-N 317.926 5.293 30 10 DKEE C=CCCC[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164161560 KKXPJSNIWJJCIE-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CC1(CN[C@H](CC)c2ccc(Cl)c(Cl)c2)CCCC1 2189515370 UENNIGHRCBJCSQ-MRXNPFEDSA-N 312.284 5.781 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203976210 MYKSUHKJVFANBF-YGRLFVJLSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1 2207430505 VTWJTHYWXWDWST-QGZVFWFLSA-N 315.284 6.334 30 10 DKEE CC1(CSC[C@H](CS)C(C)(C)C)CC(C(F)(F)F)C1 2271691764 IJFADKVWHDEDFD-AKJDGMEZSA-N 314.482 5.290 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1cc(Cl)c(Cl)s1 2276903944 BYNIWKPQPPNZKK-GFCCVEGCSA-N 322.301 5.208 30 10 DKEE C=C(Cl)C[C@H](CCCCCCCCC)OCCC(=O)O 2291447328 CITAJUYQMNABKX-HNNXBMFYSA-N 304.858 5.130 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1c(Cl)cccc1Br 2304086192 NAVUXVJKYCHQOS-AWEZNQCLSA-N 315.638 5.278 30 10 DKEE C=CCCCCCCNCc1ccc(Cl)c(Cl)c1C 2338668569 XRWVTPRLRQURQY-UHFFFAOYSA-N 300.273 5.528 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1ccc(C)c(Br)c1 2338738321 LOHSNNIRDKHASW-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE Cc1c(Cl)ccc(NC[C@@H](C#N)c2ccccc2)c1Cl 2365660013 AJGRGJYBJDOHGM-CYBMUJFWSA-N 305.208 5.021 30 10 DKEE C=C1CCC(C[C@H](N)CCc2cc(Cl)cc(Cl)c2)CC1 2366810393 WZBRGJCBBYTKFR-QGZVFWFLSA-N 312.284 5.390 30 10 DKEE CC(C)=CCC(=O)/C(C)=C/CC/C(C)=C/CCc1ccoc1 13312574 KICOQGUOSKQVSW-YPOGWSRFSA-N 300.442 5.810 30 10 DKEE biogenic C/C(=N/N(Cc1ccccc1)c1ccccc1)c1cccs1 33694965 AVOHZXPDMWFMLO-SILNSSARSA-N 306.434 5.179 30 10 DKEE N#Cc1ccc(-c2csc(-c3ccc(F)c(Cl)c3)n2)cc1 62938236 QPIPEUSYJPHXLN-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCCC[C@@H]1C(F)(F)F 69392487 AXPWNISBRPZRNT-QWHCGFSZSA-N 315.404 5.498 30 10 DKEE O=C(/C=C\c1csc(-c2ccco2)n1)c1ccc(Cl)s1 96256192 FZOUENZZPPFXLA-ARJAWSKDSA-N 321.810 5.014 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1c(Cl)cccc1C(F)(F)F 110159711 DZXSGIFPTBZMEJ-MFKMUULPSA-N 316.754 5.243 30 10 DKEE CCCCCCCCNC(=O)c1cc(Cl)ccc1Cl 110161433 KKMLZSPECXEIGJ-UHFFFAOYSA-N 302.245 5.084 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(C)c(Cl)cc1C 115857369 XEQWEAWRLFBGRT-IBGZPJMESA-N 309.925 6.358 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)[C@@]1(C)CCCS1 122731778 SQHPLKZWLRVDSF-QZTJIDSGSA-N 314.583 5.415 30 10 DKEE C[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)c(Cl)c1 126295640 PPCLCUZVHRNYMP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCNc1ncc(Cl)cc1[N+](=O)[O-] 148558572 WXAJNPNWUHHAEJ-UHFFFAOYSA-N 313.829 5.196 30 10 DKEE CCCCCCCCCC[C@@H](N)c1c(F)cc(F)cc1F 162343904 DQUSXFBKKZIOJG-MRXNPFEDSA-N 301.396 5.635 30 10 DKEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCCCCCCCS 217865598 ZBEVVONDBFPNRD-QYZOEREBSA-N 314.579 6.124 30 10 DKEE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C#N)cc1Cl 220352248 GSHCPCFIPMJHOQ-SKDZVZGDSA-N 305.849 5.189 30 10 DKEE C=CCCCCC[C@H](N)c1cc(Cl)cc(Br)c1 236302566 FXFVXPNPWROAEW-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE Cc1cc(NN=Cc2ccc(C(C)C)cc2)c2ccccc2n1 254482890 ZRAHKXKLWRLTKT-UHFFFAOYSA-N 303.409 5.113 30 10 DKEE Oc1ccc2ccccc2c1C=Nc1ccc2c3c(cccc13)CC2 254593879 POMNAAHXFYUVDA-UHFFFAOYSA-N 323.395 5.548 30 10 DKEE Cc1ccsc1C=Nc1cc(Cl)c(Cl)cc1Cl 1084193157 KNCUFEXMTLEXDZ-UHFFFAOYSA-N 304.629 5.767 30 10 DKEE CCCCCC/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 1088671103 JZBBXSYSDQLDGA-BQYQJAHWSA-N 300.229 5.459 30 10 DKEE CC(C)=C(CSCCCCC1CC1)B1OC(C)(C)C(C)(C)O1 1901708211 IRFKKZHEYLLFQO-UHFFFAOYSA-N 324.339 5.268 30 10 DKEE C=CC[C@@H](C)OC[C@H](NCCC)c1cccc(Cl)c1Cl 1913349824 XMXHLTXNACTTDV-DOMZBBRYSA-N 316.272 5.015 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccccc1)C(C)(C)C 1932005542 OCSPQBJQDOSZAM-UHFFFAOYSA-N 321.574 5.804 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](c1ccc(F)cc1)C1CC1 2070131932 RGWOYZXQHLGEDD-NRFANRHFSA-N 322.427 5.051 30 10 DKEE CCCCCCCn1c(S)nc2ccc(Cl)c(Cl)c21 2103437670 GMBKDLGMIYWMNM-UHFFFAOYSA-N 317.285 5.602 30 10 DKEE C=CC1(CC[C@@H](NCC)c2ccccc2Br)CCC1 2113413045 JAJRBXDEAHKZCS-MRXNPFEDSA-N 322.290 5.236 30 10 DKEE N#Cc1cc(F)c(Nc2c(Cl)cccc2Cl)cc1Cl 2120885461 XMAPZGDBBAIPRC-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1ccc(Cl)c(Cl)c1 2141913854 MBEOGPIGXZKPCS-MRXNPFEDSA-N 300.273 5.694 30 10 DKEE C=CCCCCCC[C@@H](N)c1ccc(-c2cccs2)s1 2206886275 QITDOYCVLBCFTE-CQSZACIVSA-N 305.512 6.003 30 10 DKEE C=CCCCCCCCC[C@@](C)(N)C(F)(F)C(F)(F)F 2207436345 KHBLIRMHJFRBLM-GFCCVEGCSA-N 301.343 5.208 30 10 DKEE C=CCCCCCCCC[C@@H](CCP(C)(C)=O)NCC 2207436377 KJTJNGJPNACCNX-KRWDZBQOSA-N 301.455 5.284 30 10 DKEE CCCC[C@](C#N)(CC)[C@](C)(O)c1cc(Cl)cc(Cl)c1 2237917985 ZRWWRUSHCYDYEP-CVEARBPZSA-N 314.256 5.311 30 10 DKEE C=C(C)CCOC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2238018363 MTXMIYBIORFINQ-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CCCCCCCCCCOC[C@@H](N)c1ccc(Cl)s1 2239492261 IRDYZOKPJZPBPS-CQSZACIVSA-N 317.926 5.559 30 10 DKEE CCCCCCCCC[C@H](O)c1cocc1Br 2249432265 VJHUEQHTZSBWEU-AWEZNQCLSA-N 303.240 5.216 30 10 DKEE C=CCCCCCC(=O)c1cc(Cl)c(OC)cc1Cl 2266848093 DSOMKTHRKUMLJR-UHFFFAOYSA-N 301.213 5.321 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Cl)cc(Cl)c1 2271834563 HDXDUMXWAAQSTA-INIZCTEOSA-N 300.273 5.781 30 10 DKEE C=CCCCCCCCS[C@@H]1C[C@@H](C(F)F)CC[C@@H]1N 2287194672 VAFAJICMRJXNIN-SOUVJXGZSA-N 305.478 5.007 30 10 DKEE C=CCCCCCCCSC[C@@H](NCCC)C1(F)CC1 2287199068 VAIVAZVXTFKLQE-MRXNPFEDSA-N 301.515 5.117 30 10 DKEE Cc1ccc(C)c(NC=CC(=O)c2ccc(Cl)cc2Cl)c1 2293140424 PZZYETKVHAEEMA-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE O=C1C(=Cc2cccc(Br)c2)CC[C@H]1C1CCCC1 2297334126 FISNCXVKVOKPLG-INIZCTEOSA-N 319.242 5.002 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1cc(Br)cc(C(C)C)c1 2338739605 XFUDHEXPLGRGKW-QGZVFWFLSA-N 322.290 5.341 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(Br)cc1CC 2344378488 GVUNHPGWPLHEHF-SUMWQHHRSA-N 324.306 5.264 30 10 DKEE CCCCCCCC[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2360489986 TZHXVWDEONLESE-OAHLLOKOSA-N 320.279 6.144 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(Cl)c(Cl)c1OC 2370492084 RYFZNNCLAYYLJI-HZPDHXFCSA-N 316.272 5.255 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1sccc1C)N2 20688277 RDFUTLUEYRFDJM-MDZRGWNJSA-N 323.461 5.448 30 10 DKEE N#Cc1cc2ccccc2nc1Oc1cc(Cl)cc(Cl)c1 71390605 YLOPVEJXGFKAOI-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE N#CC[C@H](Nc1c(Cl)cc(F)cc1Cl)c1ccccc1 123336323 RKKMHBWKNINQBY-AWEZNQCLSA-N 309.171 5.199 30 10 DKEE CCCCCCCCCCCCNCCSC(F)(F)F 231951094 ORUQIMCFCCXIAG-UHFFFAOYSA-N 313.473 5.750 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(Cl)sc1Cl 232929440 OKILWBVMLJAAKU-LLVKDONJSA-N 309.306 5.310 30 10 DKEE Cc1cccc(N[C@H](C)c2ccc(Cl)cc2Cl)c1C#N 235251786 MCFFEZKRWXGFMG-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CC1=C2CCC[C@@H]2CCC1=NNc1nc(-c2ccccc2)cs1 254626930 LNHZDARYSGKXNW-CQSZACIVSA-N 323.465 5.488 30 10 DKEE N#Cc1cc(F)ccc1Nc1ccccc1OCc1ccccc1 310085854 GSBQMIPOIUAGQK-UHFFFAOYSA-N 318.351 5.020 30 10 DKEE CCCCCCCCC(=O)c1ccccc1OCc1ccccc1 310289111 RDRVKQLSYQZQQD-UHFFFAOYSA-N 324.464 6.199 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1Nc1ccccc1OCc1ccccc1 379752466 OSHRQISATUGBQH-MOPGFXCFSA-N 320.436 5.150 30 10 DKEE C[C@H](C#N)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 380129844 WMFBESSSHFEOMG-GSVOUGTGSA-N 303.403 5.581 30 10 DKEE CC[C@@H]1CCCC[C@@H]1[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698419951 QSTNYBSSUJKZOR-WCXIOVBPSA-N 322.493 5.131 30 10 DKEE CCCCCCCC[C@H](NC)c1ccsc1Br 698666378 XTESKIMHEXOQSD-ZDUSSCGKSA-N 318.324 5.522 30 10 DKEE C=CCN(CCCCCCCNC(C)(C)C)Cc1ccccc1 1900663684 OBPTUHOVFYISIB-UHFFFAOYSA-N 316.533 5.013 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1c(C)cccc1Br 2040534135 POVKVTMXHUGTFW-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(C)ccc1Br 2040535415 ZMARTFQGVAGQGJ-BBRMVZONSA-N 310.279 5.010 30 10 DKEE CCc1cc(C(F)F)c(OC(F)(F)F)c(C(F)(F)F)c1 2060359542 NGFDUJVVRBNMTK-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=C[C@H](N[C@H](c1cccs1)c1ccc(Cl)s1)C1CC1 2102004905 BGVQBAAVLBSTIF-XHDPSFHLSA-N 309.887 5.107 30 10 DKEE Cc1ccc(Br)cc1CC1(C#N)CCC2(CC1)CC2 2120108848 HZXLITNJBIDWFB-UHFFFAOYSA-N 318.258 5.164 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(-c2cccs2)cs1 2164195860 KIAABPIKROPHIJ-HNNXBMFYSA-N 305.512 5.874 30 10 DKEE CCCCCCCCCC[C@@H](O)c1snc(OC)c1Cl 2164499896 YGJLYUBBBGDUJK-GFCCVEGCSA-N 319.898 5.369 30 10 DKEE Cc1cc([C@@H](O)[C@@]2(C#N)CCCC(C)(C)CC2)sc1Cl 2165373646 POQZXBSSBDHAOT-CJNGLKHVSA-N 311.878 5.244 30 10 DKEE SCCCCCCCCCN1CCC[C@H]1c1ccsc1 2170017605 ZFPBOSPTDGYSPZ-KRWDZBQOSA-N 311.560 5.546 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1cc(Cl)sc1C 2207416567 XSXBZLSZOBNXAK-INIZCTEOSA-N 314.922 6.440 30 10 DKEE C=C(Cl)C[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2218640159 MKXMEHZCGQJPML-ZDUSSCGKSA-N 306.664 5.047 30 10 DKEE Cc1cc(COc2c(C)cc(Cl)cc2Cl)ccc1C#N 2232600178 JDMKTVKTCDYOJO-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C=CCCCCCCCOc1c(Cl)cc(Cl)cc1CN 2235525067 XLRDNAWIGDBPLH-UHFFFAOYSA-N 316.272 5.358 30 10 DKEE C#CCCCCC[C@@H](Cc1cccc(Cl)c1Cl)NCC 2235755678 FBUILAAECBQJBO-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)c(C#N)s1 2239557744 YNHMXBCSUCIZHU-UHFFFAOYSA-N 314.882 5.578 30 10 DKEE C=C(COCc1ccccc1)[C@@](C)(O)CCCCCCCCC 2246058785 BWBOJRZDSQCSKL-NRFANRHFSA-N 318.501 5.651 30 10 DKEE C=CCCCC[C@H](NC)c1sc(Br)c(C)c1C 2247235894 STZUOJDYUXBFTQ-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C1CCC(COc2cccc(Br)c2Cl)CC1 2248241203 MAVXOKNPUGGFPJ-UHFFFAOYSA-N 315.638 5.228 30 10 DKEE C=CCCCC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2270974358 VVQURSHVZHYWBE-MRXNPFEDSA-N 300.273 5.699 30 10 DKEE CCCN[C@H](C#CC1CCCC1)c1cc(Cl)c(Cl)s1 2274067012 JABWTWHTHGXMCZ-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE C=C(C)CCCC[C@@H](O)c1ccc(Cl)cc1C(F)(F)F 2287409001 PADBOJBZRHMBOH-CQSZACIVSA-N 306.755 5.529 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(CC2(CSC)CC(F)(F)C2)C1 2289656075 LGFGQFINSVBBFH-KBPBESRZSA-N 301.446 5.265 30 10 DKEE FC(F)(F)C(=NSc1ccc(Cl)cc1)c1ccccc1 2297170339 MLKGGMYFJMQESH-UHFFFAOYSA-N 315.747 5.399 30 10 DKEE C=CCCCSC[C@@H](N)c1ccc(Cl)c(C)c1Cl 2327922833 KBVYHYOPIMAGPE-CYBMUJFWSA-N 304.286 5.001 30 10 DKEE Cc1ccc(-c2nc3scc(C(C)(C)C)n3c2CC#N)c(C)c1 36255923 MFKCCOWKIXBDJL-UHFFFAOYSA-N 323.465 5.043 30 10 DKEE Cc1ccc(OCC[C@@H](C#N)c2cccc3ccccc23)cc1 57686185 LJFGSYKOPYUZLA-SFHVURJKSA-N 301.389 5.225 30 10 DKEE Cc1ccc(/N=C/c2cccc(Cl)c2)cc1Br 59518694 ZYJFFAXEUAMNDR-RQZCQDPDSA-N 308.606 5.162 30 10 DKEE N#CCc1sc(-c2ccc(Cl)c(Cl)c2)nc1C1CC1 82436781 WNOCAYXLEWJSRN-UHFFFAOYSA-N 309.221 5.060 30 10 DKEE CCCCCCCn1c([C@H](C)N2CCCC2)nc2ccccc21 101301755 FRAXXAHFJHHIDY-KRWDZBQOSA-N 313.489 5.164 30 10 DKEE CCCCCCCCO[C@H](c1cccc(Cl)c1)[C@@H](N)CC 109988822 QAKNXBWHCWYZQH-ZWKOTPCHSA-N 311.897 5.496 30 10 DKEE CCCCCCC[C@](C)(Nc1ccc(Cl)cc1)C(=O)OC 110320599 UEOULSAWEBUKBO-KRWDZBQOSA-N 311.853 5.044 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2C)C1 110354638 YKIPPVNLOGTTMF-LZLYRXPVSA-N 301.499 5.832 30 10 DKEE CCCCCCCCCC[C@@H](NCC)[C@H]1CSCCS1 122631597 PQMOTOANXDMBNN-IAGOWNOFSA-N 317.608 5.344 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccc(SC)cc1 162345828 YYICBIXFIWRYHY-IBGZPJMESA-N 307.547 6.200 30 10 DKEE CC(C)(CCC#N)CNc1cc(Cl)c(Cl)cc1Cl 229668409 XUCYTKMEIRAFBB-UHFFFAOYSA-N 305.636 5.389 30 10 DKEE C=CCCCCCNc1c(Cl)cc(Cl)c2c1N=S=N2 236059106 FCUFRSUDVPAWOZ-UHFFFAOYSA-N 316.257 5.878 30 10 DKEE Cc1ccc(N=Cc2c3ccccc3cc3ccccc23)c(C)c1 257351692 GPQSKHRGVFDOJJ-UHFFFAOYSA-N 309.412 6.360 30 10 DKEE CC1(C)OB(/C=C\C(c2ccccc2)c2ccccc2)OC1(C)C 396665064 PTXGQKBKCHXSEM-NXVVXOECSA-N 320.241 5.006 30 10 DKEE C=CCC1(NCc2sc3ccccc3c2Cl)CCCC1 690731872 SOVDNDAWLIDJPO-UHFFFAOYSA-N 305.874 5.533 30 10 DKEE CCCc1ccccc1Oc1cc(Br)cc(C#N)c1 699507496 RKCAMRVHIKNPSB-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE Cc1ccc(N=Cc2ccc(C(C)C)cc2)cc1Br 1084369060 YEIIUJVFYKBSLB-UHFFFAOYSA-N 316.242 5.632 30 10 DKEE COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1Cl 1874634171 OFSMRDRSCGUJQG-FNORWQNLSA-N 314.812 5.170 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cc(Cl)ccc1Cl 1919617095 ZDYQGDVHZDRIPX-KRWDZBQOSA-N 317.300 6.342 30 10 DKEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C#N)CCCCCC1CC1 1936425686 BOOPWRUGAOAZCT-LJQANCHMSA-N 320.477 5.030 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@]1(C#N)CCCC(C)(C)CC1 1939900088 NURSQYDFSFXDLC-NQIIRXRSSA-N 313.485 5.730 30 10 DKEE C=CCCCCCC[C@@]1(N)CC(C)(C)[C@@H]1OCc1ccccc1 1995173195 KOMHVBKAKLKHDL-PZJWPPBQSA-N 315.501 5.226 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)CC(C)(C)C 1995319982 QFHKZTYDUFXZIV-UHFFFAOYSA-N 315.545 6.451 30 10 DKEE C=CCCN(Cc1ccccc1)c1ccc(CNC(C)(C)C)cc1 2013174704 WHSQPJWYKIRDDA-UHFFFAOYSA-N 322.496 5.157 30 10 DKEE C=CC(C)(C)COc1cc(Br)ccc1C(F)(F)F 2043173945 LLXRFVGICITLTH-UHFFFAOYSA-N 323.152 5.059 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccccc2Br)C1 2049513810 CJWMTFSLLRLHQM-INIZCTEOSA-N 306.247 5.102 30 10 DKEE C[C@@H](Nc1cc(Br)ccc1C#N)C1CCCCCC1 2116849472 GVRICUMYLGLQKM-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Cl)c(Cl)cc1Cl 2136594715 CTRYUQCRFPVBQR-HNNXBMFYSA-N 323.691 6.215 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(C)cc1Cl 2136691058 GHJMSRAHECPTEZ-INIZCTEOSA-N 302.289 6.052 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1c(Cl)cccc1Cl 2147013550 NKAQUJGWBKEKSE-MRXNPFEDSA-N 317.256 5.347 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1ccccc1SC1CC1 2158415871 XCPFOQDKBRGYPI-UHFFFAOYSA-N 300.814 5.210 30 10 DKEE CCCCCCCCCC[C@H](O)c1ncc(C(F)F)s1 2164486197 FAYYHQURJDNIIH-LBPRGKRZSA-N 305.434 5.645 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179259304 NBENWOHKLCQUNW-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CC(C)(C)c1ccc(C#N)c(Sc2cccc(Cl)c2)n1 2192039145 AFXHQILHMKXTLQ-UHFFFAOYSA-N 302.830 5.055 30 10 DKEE C=CCCCCCC[C@H](NCC)[C@@H]1SCCS[C@H]1CC 2206898764 IZOHVEUYJINCPT-ULQDDVLXSA-N 315.592 5.118 30 10 DKEE C=CCCCCCCCNc1ccc(Br)cc1C 2220090029 BCJJIUGQPDRZRU-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE CCCCCCCCCOC(=O)c1ccnc(Cl)c1Cl 2239532041 VMWIVRINBYTDER-UHFFFAOYSA-N 318.244 5.296 30 10 DKEE C=CCCCCCC[C@@H](OCCCN)c1sccc1Cl 2292773899 ZNMHUXINTVHFLQ-OAHLLOKOSA-N 315.910 5.335 30 10 DKEE C=C(C)CCCCc1cc(Br)cc(OC2CC2)c1 2315701979 ADQPFFHOASBRCZ-UHFFFAOYSA-N 309.247 5.279 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cc(Cl)cc(Cl)c1Cl 2321101673 KZCXPVTXGVFBEA-ZIAGYGMSSA-N 306.664 5.639 30 10 DKEE C=CC(C)=CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@]12C(=O)O 2333273618 VLQWZUQLAWRAFU-HLIPFELVSA-N 302.458 5.372 30 10 DKEE C=CCC(CC=C)SC[C@@H](NCC)c1ccc(Cl)s1 2335095512 BUHUZQJGDOLDNE-CYBMUJFWSA-N 315.935 5.306 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(OC)c(Cl)s1 2340274689 KMWDUEBLOZULSD-LBPRGKRZSA-N 304.883 5.584 30 10 DKEE C=CCC(CC=C)S[C@H](c1ccccc1Cl)[C@@H](N)CC 2360198140 CWQXAZIUPGNCNJ-DLBZAZTESA-N 309.906 5.372 30 10 DKEE C=CCCCSc1ccc(C)c(Cl)c1CNCC(C)C 2360711129 RHCBJZKFJANEPF-UHFFFAOYSA-N 311.922 5.452 30 10 DKEE Cc1cccc2nc(-c3ccc(C(C)C)cc3)c([C@@H](C)C#N)n12 31915695 ORHWYLZYMTUIKP-AWEZNQCLSA-N 303.409 5.060 30 10 DKEE Cc1cc(C)c(C(=O)/C=C\c2ccc(-c3ccccc3)o2)cc1C 33411205 ZKUBQHFHVMNPLS-LUAWRHEFSA-N 316.400 5.768 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)ccc2F)cc1C(F)(F)F 35284689 LKWSYILBRLJLNN-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE N#Cc1ccc(-c2csc(-c3ccc(Cl)cc3F)n2)cc1 62938238 UEURVCRUIPMOKS-UHFFFAOYSA-N 314.772 5.141 30 10 DKEE N#C[C@H](C(=O)C1CCCCCCC1)c1ccc(F)cc1Cl 86580153 HIBLIOWLVSIUKX-HNNXBMFYSA-N 307.796 5.016 30 10 DKEE Cc1oc(C)c(C(=O)[C@H](C#N)c2ccc(Cl)cc2Cl)c1C 87199391 ZSNCOJULESVLEF-CYBMUJFWSA-N 322.191 5.002 30 10 DKEE CC(C)(C#N)CCCNc1c(Cl)cccc1C(F)(F)F 87597241 SHCAVDIJNKHXMW-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE CCCCCCCCCCCCCCCCCc1cc(C)no1 100307717 UJNZHXCMYWVDOJ-UHFFFAOYSA-N 321.549 7.397 30 10 DKEE O=C(/C(=C/Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 109393379 AFJCNJQETNWVQK-HMMYKYKNSA-N 317.363 5.162 30 10 DKEE CSc1cccc(Nc2cc(Cl)c(C)cc2Cl)c1C#N 128269250 ICVCHAYVWYHICD-UHFFFAOYSA-N 323.248 5.639 30 10 DKEE CCCCCCCC[C@H](NC)c1cc2cc(Cl)ccc2o1 129210188 MKFLCNOGJFWCOM-INIZCTEOSA-N 307.865 6.097 30 10 DKEE CCSc1cccc(Sc2ccc3c(c2)CCC3)c1C#N 136991756 WJYMTXLTNQRJHS-UHFFFAOYSA-N 311.475 5.310 30 10 DKEE Cc1cc(Oc2ccc(C#N)cc2Cl)ccc1Br 157075305 MZFKFSRQIIKYNG-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCSc1ccccc1N[C@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 163231281 RHKZLZWRCCBQOE-UCLAIMLFSA-N 301.499 5.591 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)c(OCC)cc1Cl 164239928 ATYKNLCUJRXJHB-HNNXBMFYSA-N 318.288 5.752 30 10 DKEE [C-]#[N+][C@@H]1[C@H](c2c[nH]c3ccccc23)[C@@H](C(=C)C)CC[C@@]1(C)C=C 166307427 KGWATBYKCMCFLC-CGRMTHRGSA-N 304.437 5.718 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1ccc(Cl)cc1F 228988753 MICYRCOPCBBZPO-GOSISDBHSA-N 313.888 6.400 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(Cl)sc1Cl 232940525 CMMLKFQWFHSWNS-CYBMUJFWSA-N 322.345 6.586 30 10 DKEE C=CCCCCC[C@@H](CSc1cccc(Cl)c1)NCC 233536869 KPXISFVMPIYEDY-INIZCTEOSA-N 311.922 5.547 30 10 DKEE C=C(C)CC[C@H](NCC)c1cccc(OCc2ccccc2)c1 303759941 JZMIKICHHVGHHC-NRFANRHFSA-N 309.453 5.273 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Cl)cc1Cl)C(F)(F)F 311906437 GQWUDDIMXULNBM-GFCCVEGCSA-N 312.162 5.153 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2cc(Cl)sc2Cl)CC1 312687874 LAFZZDDYOLASME-LLVKDONJSA-N 318.269 5.198 30 10 DKEE Cc1ccc(Br)cc1CC1(C=O)CCCCCCC1 316821426 PGZIMAFSAHLGPL-UHFFFAOYSA-N 323.274 5.230 30 10 DKEE C=C(COCCC)[C@H](NCCC)c1cc(Cl)sc1Cl 387574705 KOELQTXJRPJSGD-ZDUSSCGKSA-N 322.301 5.078 30 10 DKEE N#C[C@H](CSc1cc(Cl)cc(Cl)c1)C1CCCC1 397168570 ANCRYADWCSANQA-LLVKDONJSA-N 300.254 5.415 30 10 DKEE CCCC(CS)(CCC)COc1ccc(Cl)cc1OC 398748311 WBEARFFWFCBLRU-UHFFFAOYSA-N 316.894 5.244 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(NC(=O)OC(C)(C)C)cc1 407691640 OMUBYBQRFBYKAU-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE C[C@@H](C(=N)c1ccccc1)/C(=N/c1ccccc1)c1ccccc1 585666860 CEJPAOLUSWGWJP-SDRUTHFRSA-N 312.416 5.512 30 10 DKEE CCCCCCCC[C@@H](NCCC)C(F)(F)C(F)(F)F 692569684 BQDBOLRLJXJTRD-GFCCVEGCSA-N 303.359 5.303 30 10 DKEE CN(Cc1cc2cscc2s1)c1ccc(C#N)cc1Cl 693985951 PCRYUYBWZWSGQJ-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE CCCCCCCCCCNC(=O)[C@@H](C)Cc1ccc(F)cc1 1868187538 OJDMQPPDDIRFHJ-KRWDZBQOSA-N 321.480 5.261 30 10 DKEE C=C(C(C)(C)C)[C@](C)(O)c1cc2cc(Br)ccc2o1 1919632053 VCDMEOVOIHBGQO-INIZCTEOSA-N 323.230 5.005 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC1(C)C 2032104682 QPPURDPWNIDRBJ-MLGOLLRUSA-N 306.247 5.273 30 10 DKEE C=C1CCC(CC[C@@H](O)c2ccc(Br)cc2)CC1 2050502396 ZANASOSGWZTKQY-MRXNPFEDSA-N 309.247 5.009 30 10 DKEE CCCCCC#CCOc1cc(C)cc(Br)c1C 2083490123 ROSLREIOERUNLA-UHFFFAOYSA-N 309.247 5.028 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1scc(Cl)c1Cl 2096225225 ZVNIMJJZIFRXHB-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE C=CCCCC(=O)c1ccc(-c2ccc(Br)cc2)o1 2107831856 LGZAGWWQJHAPQD-UHFFFAOYSA-N 319.198 5.248 30 10 DKEE N#CC1(Nc2cccc(Br)c2)CCCCCCCC1 2112438132 UVXWSNSSZUWDJW-UHFFFAOYSA-N 321.262 5.258 30 10 DKEE O=C(C1=CCCCC1)c1ccc(-c2ccccc2Cl)s1 2164063032 KMRUNPVHURTJKK-UHFFFAOYSA-N 302.826 5.752 30 10 DKEE C[Si](C)(C)C#CC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2164069189 OWWZLCWWIVEMMD-UHFFFAOYSA-N 318.901 5.132 30 10 DKEE C=C1C[C@H]1C[C@@H](NCCC)c1cc(-c2cccs2)cs1 2164190853 UXGHBEUVVGCQRY-DZGCQCFKSA-N 303.496 5.484 30 10 DKEE C=C([C@@H](NCCC)c1ccc(CSC)cc1)[Si](C)(C)C 2164281661 OBMCHCQGTQAWAV-QGZVFWFLSA-N 307.579 5.024 30 10 DKEE Cc1cc(Nc2cc(Cl)c(F)c(Cl)c2F)ccc1C#N 2200730065 JCMPTPCWUUBTDD-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C=CCCCCC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C 2211845625 NMBBSQAQPDAJMI-UHFFFAOYSA-N 317.429 5.271 30 10 DKEE C=CCC[C@@H](NCCC)c1sc(C)c(C)c1Br 2215902955 RUNHIVAOJVZXBY-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE CCCCCCCC[C@H](C)Nc1cccnc1Br 2223867638 IPMTTYMELCUTOC-ZDUSSCGKSA-N 313.283 5.395 30 10 DKEE CCCCCCCC[C@@](C)(O)[C@@H](NC)c1cscc1Cl 2240642211 JVROWEOVSIZBGL-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE C=C(C)CCCC[C@@](C)(O)c1ccc(C)c(Br)c1 2259211311 SOCFGTDZLSHSLN-MRXNPFEDSA-N 311.263 5.102 30 10 DKEE CC#CCCCC[C@H](O)c1cc(Br)cc(C(C)C)c1 2265983387 QPKVGLVARFXWMG-KRWDZBQOSA-N 323.274 5.190 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(Cl)c(OC)cc1Cl 2271775519 JGOFOLPNKQRJQR-CQSZACIVSA-N 303.229 5.172 30 10 DKEE C=CCCCCCCCSC[C@@H](NCC)c1cscn1 2287190390 XXDZYPLBAQAPDJ-OAHLLOKOSA-N 312.548 5.054 30 10 DKEE CCCCCCC[C@@](C)(O)[C@@H](NCC)c1cc(Cl)cs1 2290196037 VQNMPTVDWJGISZ-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE Cc1ccc(Sc2ccc(C(=NO)c3ccccc3)cc2)cc1 2295092994 GBPJMXLRIYEQED-UHFFFAOYSA-N 319.429 5.373 30 10 DKEE CCCN[C@H](C#Cc1ccccc1Cl)c1cc(Cl)cs1 2295196756 IPLQBVRJSUHNIO-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(SC(F)(F)F)cc1 2297630828 GEGCBJKOMQTVJY-UHFFFAOYSA-N 308.324 5.195 30 10 DKEE CCCCCCCCCCNC(=O)C=Cc1ccc(Cl)cc1 2327320520 JUJDCIFAGNGULD-UHFFFAOYSA-N 321.892 5.610 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)sc1CNC1CC1 2335247918 JNPHTMQHTULBMV-UHFFFAOYSA-N 313.919 5.266 30 10 DKEE C=C([C@@H](NCC)c1ccc(Cl)c(Cl)c1C)C(C)(C)C 2339018164 SBWXPNVNQQWMTH-OAHLLOKOSA-N 300.273 5.555 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C(F)(F)F)s1 2362244737 YRDLZSWSCMQKDE-IJLUTSLNSA-N 303.393 5.162 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2377277969 KTJGAPNRZXEGPE-MRXNPFEDSA-N 314.231 5.785 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2Br)C1 37156610 IIUREIYRVMPGLC-TYNCELHUSA-N 324.287 5.260 30 10 DKEE CSc1ccc(/C=N/c2ccc(C)c(Br)c2)cc1 59518916 DNIZHGOWZKOIDV-LICLKQGHSA-N 320.255 5.230 30 10 DKEE COc1c(C)cc(Cl)c(C)c1C(=O)/C=C/c1sccc1C 83193661 SOEQTBZTBFHTPM-AATRIKPKSA-N 320.841 5.231 30 10 DKEE CCOc1cccc2cc(C(=O)/C=C/c3sccc3C)oc12 83201559 LOZARCIQAASPNR-BQYQJAHWSA-N 312.390 5.098 30 10 DKEE N#C[C@H](C(=O)C1CCCCCCC1)c1c(Cl)cccc1Cl 86580056 RJBSDAOEXFPHLY-ZDUSSCGKSA-N 324.251 5.530 30 10 DKEE CC(C)(C)[C@@H]1CCC[C@](C#N)(Nc2cccc(Cl)c2)CC1 86959648 HKVBCRQYOGOQSC-KDOFPFPSSA-N 304.865 5.641 30 10 DKEE Clc1cccc(Cl)c1/N=C1\NC[C@@H](c2ccccc2)S1 88172162 HIBPONLIKZLPFI-ZDUSSCGKSA-N 323.248 5.059 30 10 DKEE OCc1cccc(/N=C/c2c3ccccc3cc3ccccc23)c1 100041659 DLCJMWWIGRBBTH-OEAKJJBVSA-N 311.384 5.236 30 10 DKEE Cc1cccc(CS[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1 110355016 MXJYCLZMENEKCI-FGTMMUONSA-N 301.499 5.583 30 10 DKEE CCCCCCCCC(=O)Cc1cccc(C(F)(F)F)c1 116722537 XPNJXXLZFYCDEJ-UHFFFAOYSA-N 300.364 5.568 30 10 DKEE CCCCCCCC[C@@H](NCC)c1occc1Br 166532041 NJQHMBMKOJECPO-CQSZACIVSA-N 316.283 5.443 30 10 DKEE C=CCC[C@H](NCc1nc(-c2ccco2)oc1C)c1ccccc1 180042090 SQMGLPHDUROSAB-KRWDZBQOSA-N 322.408 5.040 30 10 DKEE Cc1ccc(Nc2ccc(Cl)c(Br)c2)c(C#N)c1 235860094 JVKBIAYXATYFHK-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCO[C@@]1(CCCC)C=CC(N=Cc2ccccc2)=CC1 257353259 QEQZIMFOIZKHQM-NRFANRHFSA-N 311.469 5.695 30 10 DKEE CCCS[C@H]1CCCN(CC(CS)(CCC)CCC)C1 383031213 IWITXNZFQURTOW-INIZCTEOSA-N 317.608 5.110 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H](C)OCc1ccccc1 404145956 PUKZWEIUAFVPHL-QUCCMNQESA-N 306.490 5.483 30 10 DKEE C[C@H](CC1CCCCC1)Nc1ccc(Br)cc1C#N 689811157 WZLPNBMTOVIPDT-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CC(C)=NNc1nc2ccc(NCc3cccc(C)c3)cc2s1 953049307 QOORUJFCJNHRRE-UHFFFAOYSA-N 324.453 5.025 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 1857935622 RGZVZVIOQHFRAN-KGENOOAVSA-N 315.844 5.578 30 10 DKEE CCCCCCCCC[C@H](NC)c1sc(Cl)nc1Cl 1886666676 XPBKIXCYRFEXSD-NSHDSACASA-N 323.333 5.851 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)C1CCC(F)(F)CC1 1918060519 ZZNXXXMPDPDZJD-HXUWFJFHSA-N 309.466 5.362 30 10 DKEE CCC[C@H](C#N)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921049230 LUQMWLTZLSXQJU-MLGOLLRUSA-N 305.830 5.042 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cscc1OCc1ccccc1 1934835617 GWYIBSBYFNCLSF-GOSISDBHSA-N 315.482 5.334 30 10 DKEE C=CCN(Cc1ccccc1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 1978877795 RKDMLZBHAPEYHB-VAMGGRTRSA-N 310.485 5.029 30 10 DKEE C=CC1(Cc2c(Br)ccc(Cl)c2F)CCC1 1980010301 NIVGNQJEJBOLCL-UHFFFAOYSA-N 303.602 5.140 30 10 DKEE N#Cc1cc(F)c(Cl)cc1Oc1cccc(Cl)c1Cl 2127974292 QKNMMDVLFYOWPN-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE C=CCCCCCCCCC[C@@H](O)c1cc(Cl)cs1 2142440836 JBIWYPMLCSWTJX-OAHLLOKOSA-N 300.895 6.132 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1cc(C(F)(F)F)ccc1Cl 2173290828 RSOUIPAUICLGRK-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CCCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1Cl 2220126833 YVRRFFPHUPIVLP-CYBMUJFWSA-N 308.680 6.007 30 10 DKEE CCCCCCCC[C@H](C)NCc1cc(C)c(Cl)s1 2231935008 NUJPPUFAEYRHQM-AWEZNQCLSA-N 301.927 5.939 30 10 DKEE CCCCCCCCC[C@H](N)c1nc(C(C)(F)F)cs1 2234781561 GVIGOZAPOCYOHN-LBPRGKRZSA-N 304.450 5.395 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1csc(Cl)c1OC 2271799600 UZMSQZPDHSZMIN-ZDUSSCGKSA-N 301.883 5.197 30 10 DKEE C=CCCCCCCCSc1nc(CNC(C)C)cs1 2287062713 JBGGQAMORZLPPW-UHFFFAOYSA-N 312.548 5.260 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(-c3ccccc3Cl)o2)cc1 2293039013 TUSDCXHQOFWFGZ-UHFFFAOYSA-N 322.791 5.805 30 10 DKEE Cc1cc(OC=CC(=O)c2cccc3ccccc23)ccc1Cl 2297535677 JWVVJFSFXIDZLU-UHFFFAOYSA-N 322.791 5.577 30 10 DKEE CCC(=NOCc1cccc(Cl)c1)c1ccc(CC)cc1 2330249125 DQJKNYVGHUPSCB-UHFFFAOYSA-N 301.817 5.233 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1ccc(Br)cc1C 2338745366 WAGYTFCPXUJIAI-QGZVFWFLSA-N 322.290 5.177 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Cl)c(C(F)F)s1 2345204466 RGYNHSRZVCKLSR-AWEZNQCLSA-N 310.837 5.907 30 10 DKEE C[C@@H]1C[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)[C@@H](C)O1 2366901209 VVJOKHCPEHIQIT-HSMVNMDESA-N 312.240 5.023 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2370491693 QRXRLRXYMLBNFC-IAQYHMDHSA-N 316.272 5.255 30 10 DKEE CCCCCCCCN[C@@H](C)c1cccc(Br)c1 59254784 VUMGXXHBHLMGIF-AWEZNQCLSA-N 312.295 5.460 30 10 DKEE COc1ccc(/C=N/c2c(C)cc(C)cc2C)c2ccccc12 59459025 DKTQDYXWLUSCKY-LPYMAVHISA-N 303.405 5.524 30 10 DKEE CCCC(CS)(CCC)Cn1ccnc1-c1cccs1 94588084 RHWYTGPODBTLEB-UHFFFAOYSA-N 308.516 5.128 30 10 DKEE O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 97993109 VRHMZLUAWVZCKQ-VURMDHGXSA-N 317.171 5.636 30 10 DKEE CCCCCCCCCCNC(=O)/C=C/c1ccc(C)cc1 109000035 XQKONQTVCJCGHN-FOCLMDBBSA-N 301.474 5.265 30 10 DKEE CCCCCCCCCCOc1c(Cl)cc(N)cc1Cl 109685748 IHECYQAECFTYSY-UHFFFAOYSA-N 318.288 6.095 30 10 DKEE CCCCCCC[C@@](C)(NC(C)C)c1nc(CC)c(C)s1 109690743 MJCHMVVDAVVZAF-GOSISDBHSA-N 310.551 5.588 30 10 DKEE CCSc1cccc(N[C@H]2CCCC[C@H]2C(C)C)c1C#N 136689148 JJFQWYQOUYQXSM-HOCLYGCPSA-N 302.487 5.297 30 10 DKEE CCCCCCCCC[C@H](N)c1cc2cc(F)ccc2s1 139410678 FJPPGIOUSZEMHL-INIZCTEOSA-N 307.478 6.181 30 10 DKEE CCCCCCCCCCCCC(=O)c1cc(OC)cs1 165112229 APEGYIKWNQYNQZ-UHFFFAOYSA-N 310.503 6.250 30 10 DKEE CCCCCCCCB(CCCCCCCC)C(C)(C)C(C)C 196518317 AOZITACYSNCQSZ-UHFFFAOYSA-N 322.430 8.638 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(F)c(F)cc1Cl 231296881 CLMKCSSYVNHMNX-MRXNPFEDSA-N 303.824 5.629 30 10 DKEE CCCCCCCCCCCC[C@H](O)C1CCSCC1 389941491 GALZRIQEDUBOLJ-SFHVURJKSA-N 300.552 5.802 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cccc(Br)c1 686678365 OITXPHYGCLEYAL-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C#CCCCCCC(=O)c1cc(C(F)(F)F)ccc1Cl 686702728 NQLKZXXYAJOIHJ-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCCCCNc1ccc(Br)c(F)c1C 694015895 LBOWPFVCTLVNKC-UHFFFAOYSA-N 302.231 5.279 30 10 DKEE CCCCCCC[C@H](O)c1cccc(Cl)c1Br 719697239 OHTSBVGBOBMZKH-ZDUSSCGKSA-N 319.670 5.496 30 10 DKEE C=C1CCC(C[C@H](NCC)c2ccc(Cl)c(Cl)c2)CC1 724590242 WHCVYHHIGMOPGL-KRWDZBQOSA-N 312.284 5.781 30 10 DKEE CC[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O 1871421503 PUQXEIUWMNJXHG-BJZWWFBTSA-N 320.388 5.036 30 10 DKEE CCCCCCC[C@](C)(O)Cc1ccccc1Br 1919909827 KIHZKIBCKDKFNL-INIZCTEOSA-N 313.279 5.103 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(Br)ccc1C 2040531282 WZLULWPBHRQQIP-CJNGLKHVSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCC(=O)c1cccc(F)c1Br 2085849183 IPSCZMMIXWZCMH-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE CCSc1cccc(SCc2ccc(Cl)o2)c1C#N 2089403385 YWJBBMVTOOZQHI-UHFFFAOYSA-N 309.843 5.209 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2ccccc2Br)CC1 2100867142 KWGREGXUHNQLSR-KRWDZBQOSA-N 323.274 5.167 30 10 DKEE C=C1CCC(N[C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 2101210283 UONYUXCBSOTUCE-SNVBAGLBSA-N 302.220 5.282 30 10 DKEE CCC[C@]1(C)CSC(=Nc2c(C)cc(Cl)cc2Cl)N1 2136370259 IAFPQWMBOFHSMK-CQSZACIVSA-N 317.285 5.185 30 10 DKEE C=CCCCCCCCCNc1ccc(C)c(Br)c1 2142445722 IXZNGMHPUMCWDT-UHFFFAOYSA-N 324.306 6.086 30 10 DKEE CC[C@H]1CC[C@](C#N)(Cc2csc(-c3cccs3)n2)C1 2144694554 KMLWCMXUEBKSSS-BLLLJJGKSA-N 302.468 5.134 30 10 DKEE CCCCCCCCC[C@H](NC)c1nccc(Cl)c1F 2154330549 RYCLKTDZANFSLQ-AWEZNQCLSA-N 300.849 5.275 30 10 DKEE C#Cc1ccc(N[C@H](C)c2cc(Cl)cc(Cl)c2F)cc1 2177239706 UHWRRLMHLZJPTN-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE CCCC1(C(=O)[C@H](C#N)c2c(Cl)cccc2Cl)CCC1 2189684333 HSDSRUUZSMYRFO-LLVKDONJSA-N 310.224 5.140 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2197147632 NDYPBIRHBOZOJR-QGZVFWFLSA-N 306.236 5.357 30 10 DKEE CC(C)(C)C#C[C@H](N)c1ccc(-c2cccc(Cl)c2)s1 2233781129 FCPJMYGSHOPIPG-AWEZNQCLSA-N 303.858 5.118 30 10 DKEE CCCCCCCC[C@](C)(N)Cc1cc(Cl)cc(Cl)c1 2240616270 OSSSZKOUVMNMMS-KRWDZBQOSA-N 316.316 6.004 30 10 DKEE C=C(C)CCCCNc1cccc(Cl)c1Br 2244628388 FRBWCXQXDZNOBZ-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=C1CC([C@@H](NCC)c2cc(Br)cc(C(C)C)c2)C1 2265986423 AIOHQEHYRFWPHZ-QGZVFWFLSA-N 322.290 5.189 30 10 DKEE C=CC[C@@H](C)Sc1ccc(F)c(Cl)c1CNCC(C)C 2360384557 WHSGNXCGYZQTKW-GFCCVEGCSA-N 315.885 5.281 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1c(Cl)ccc(F)c1Cl 2362234479 HFBKEROKAWLKHY-JTNHKYCSSA-N 316.247 5.528 30 10 DKEE C=C(C)CCCCC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2366103292 XAZWNNQWDZMGFT-INIZCTEOSA-N 315.240 5.041 30 10 DKEE C=CCSc1ncnc2scc(-c3ccc(C)c(C)c3)c12 1935903 JBKWEYDMBMQWMA-UHFFFAOYSA-N 312.463 5.253 30 10 DKEE Cc1ccc(Sc2ccc(C(F)(F)F)cc2C#N)c(C)c1 37334157 OHPJRTVJQHGEGB-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CCCC(CS)(CCC)CN1C[C@@H](C)Cc2ccccc21 94577751 FOOCWHTTYSDVQB-INIZCTEOSA-N 305.531 5.202 30 10 DKEE CCCC1CC(C#N)(Sc2ccc(Br)cc2)C1 97241644 CKIKAYCEMBNUKT-UHFFFAOYSA-N 310.260 5.014 30 10 DKEE CCCCCCCCCSc1nc2ccc(N)cc2s1 103480816 AOHZXQZTUPXJKX-UHFFFAOYSA-N 308.516 5.721 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Cl)cc1C(F)(F)F 109754196 LHUJLQHXHRPOOX-LBPRGKRZSA-N 321.814 6.520 30 10 DKEE CCCCCCCCCC[C@H](O)c1cccc(Cl)c1F 114995045 ATGJSJVDPDYWDS-INIZCTEOSA-N 300.845 6.043 30 10 DKEE CCCCCCCCC[C@H](CSc1ccccc1)NCC 115824383 SIVGWTILGWSUAJ-GOSISDBHSA-N 307.547 5.898 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)c1cscc1C 122038913 OAOBILBCDSETAE-LJQANCHMSA-N 309.563 6.628 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1cc2c(s1)CCCC2 129378957 LAYISSSPSYUDAL-LLVKDONJSA-N 316.857 5.325 30 10 DKEE CCCCCCCCCCn1ccc(C(=O)C(F)(F)F)c1 132357315 BQXDUSRXUVYRJD-UHFFFAOYSA-N 303.368 5.374 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1SCCS[C@H]1C 135669116 APCFQHUIXSVHAU-GOEBONIOSA-N 302.549 5.323 30 10 DKEE C=CCSc1ccccc1N[C@H]1Cc2ccc(Cl)cc2C1 158896223 PGWPNAXQBPSXCB-INIZCTEOSA-N 315.869 5.197 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(C)c(Br)s1 167679473 CZFKTCWAZUXCLH-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE Cc1cccc(C#N)c1Nc1cc(Br)ccc1Cl 221052568 GRRQOLLVVNBAJC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@H](N)c1cc(Br)ccc1Cl 236302499 OKTDAIAVUUOSHN-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cccc(OCc2ccccc2)c1 305752497 PFTVDAIYAMCNNH-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE C[C@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698376701 MFDJOERVXDMLIX-KXBFYZLASA-N 320.477 5.029 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 704005663 MFJMDEDAFIAMKE-LBPRGKRZSA-N 300.273 5.636 30 10 DKEE C=CCCCOC[C@H](NCCC)c1c(Cl)cccc1Cl 708896163 AIBBBMVVYFSZLY-HNNXBMFYSA-N 316.272 5.017 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1N[C@@H](C)CC(C)(C)C#N 709978510 CIOFFQZXXVNUSJ-KRWDZBQOSA-N 322.452 5.314 30 10 DKEE N#Cc1ccccc1Cn1ccc2c(C3CCCCC3)nccc21 821285963 MJNOJXOZOMWLST-UHFFFAOYSA-N 315.420 5.004 30 10 DKEE CCCCCCCCN(C)c1c(Cl)cc(N)cc1Cl 1887154481 UUOJFHILSCZDPY-UHFFFAOYSA-N 303.277 5.372 30 10 DKEE CCCCCCCCO[C@](C)(CC)CNCc1ccccc1 1915259398 LERXVYOJIGQZQL-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Br)cs1 1919983103 FWWZSHQFZMLFBG-CYBMUJFWSA-N 305.281 5.079 30 10 DKEE C=C([C@@H](NCCC)c1cc2c(s1)CCCC2)[Si](C)(C)C 1922874917 OONDTHLRVANBSV-QGZVFWFLSA-N 307.579 5.101 30 10 DKEE C[C@@H](N(CCCCCCS)Cc1ccccc1)C(C)(C)C 1931997916 FLNPFAMPVVURLO-QGZVFWFLSA-N 307.547 5.413 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1 1977451052 OUBRBCMOQWOIFB-JYRKZWEQSA-N 315.501 5.095 30 10 DKEE C=CCC[C@H](C)[C@@]1(O)CCC(C)(C)C[C@@H]1OCc1ccccc1 1977461641 LMFJMXMEPASAKA-CUWPLCDZSA-N 316.485 5.115 30 10 DKEE CCCCCCCC[C@@]1(N)CCCC[C@H]1OCc1ccccc1 1977492943 XQKBKRPSDVDRPO-NHCUHLMSSA-N 317.517 5.594 30 10 DKEE CCCCCCCCCN1CC[C@H](COCc2ccccc2)C1 1990779483 SRULQSGAZYVMIQ-NRFANRHFSA-N 317.517 5.276 30 10 DKEE C=CCCCCC[C@]1(O)CC[C@H](C)C[C@@H]1OCc1ccccc1 1991142439 GRCAJKDXJPYZAR-JBACZVJFSA-N 316.485 5.259 30 10 DKEE C=CCCCCCC[C@H](N)c1csc(Br)c1 1995170050 XTVOYPQECGPYQQ-LBPRGKRZSA-N 302.281 5.037 30 10 DKEE CCCCCCCCn1nc(CC)c(Br)c1CC 2032361855 DCPBFPPWWWXRJD-UHFFFAOYSA-N 315.299 5.131 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cccc(Br)c1C 2040533879 NTPSIYMCIIWMSH-BLLLJJGKSA-N 310.279 5.010 30 10 DKEE C=C(C)C[C@H](O)c1ccc(-c2cccc(Br)c2)s1 2051372024 MZZUDXZTVYDSFW-ZDUSSCGKSA-N 323.255 5.177 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)c2cccc(Br)c2)CC1 2061193918 CQFSKLDNCWFBDM-GFCCVEGCSA-N 307.231 5.014 30 10 DKEE CCCCCC#CC[C@H](NC)c1cc(Cl)c(Cl)s1 2083442341 KAPNSQUFLXKMPG-LBPRGKRZSA-N 304.286 5.289 30 10 DKEE NC1(CC#Cc2c(Cl)cc(Cl)cc2Cl)CCCCC1 2089974179 AUSUHHZZINAFGO-UHFFFAOYSA-N 316.659 5.050 30 10 DKEE C=CCCCCC[C@](C)(N)c1cc(F)c(Cl)cc1Cl 2098393603 XTERILHAMVWGGC-HNNXBMFYSA-N 304.236 5.443 30 10 DKEE CC1(C)CCCC[C@@]1(C)Nc1cc(Br)cc(C#N)c1 2103594439 JVWLXEZRMUSIGT-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE C=CCCCC[C@H](Cc1cccc(Br)c1)NCCC 2123079116 AREZWSVOGLLJFJ-QGZVFWFLSA-N 324.306 5.106 30 10 DKEE C=CCCCCCC[C@@H](NC)c1c(Cl)cncc1Cl 2141904375 AUTYMFYSKPSMST-CQSZACIVSA-N 301.261 5.176 30 10 DKEE C=CCCCCCCCCC1(C#N)CCC2(CC1)OCCO2 2142394276 PDKOYTMYFDBBHJ-UHFFFAOYSA-N 305.462 5.120 30 10 DKEE CCCCCCCC[C@@H](NCC)[C@H](O)c1ccc(Cl)s1 2148581192 DDCYBOKGPXMRIE-CJNGLKHVSA-N 317.926 5.164 30 10 DKEE CCc1cscc1C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl 2153583560 DRPCJQZTOQIMTG-GFCCVEGCSA-N 324.232 5.107 30 10 DKEE C=CCC[C@@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2164106186 ZOHMGMAUSWAPKQ-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CC1(C[C@H](NCCC)c2c(Cl)cccc2Cl)CCC1 2168027220 BXDRZVHESIDYPN-HNNXBMFYSA-N 312.284 5.781 30 10 DKEE CCSc1ccccc1Nc1cc(Cl)c(C#N)cc1F 2177388914 DBFWYIGEATYWBN-UHFFFAOYSA-N 306.793 5.206 30 10 DKEE C=CCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 2179680184 IVUWWWCGUYHWIV-INIZCTEOSA-N 314.300 5.651 30 10 DKEE C=C([C@@H](NCCC)[C@]1(C)CCCC(F)(F)C1)[Si](C)(C)C 2188666610 PDJZABCFIBIFFH-HUUCEWRRSA-N 303.513 5.004 30 10 DKEE CCCCCC#CC[C@H](Cc1c(Cl)cccc1Cl)NC 2203793865 XOYSJHPQKVFJPK-CQSZACIVSA-N 312.284 5.098 30 10 DKEE C=CC[C@H](C)[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2227509246 QZRNZHIQVGOPJJ-SWLSCSKDSA-N 300.273 5.116 30 10 DKEE CCCCCCCCCCOc1nc(Cl)cc(Cl)n1 2231020938 XQIFWLFYWBMHLY-UHFFFAOYSA-N 305.249 5.303 30 10 DKEE CCN[C@H](C#Cc1ccc(Cl)cc1)c1scc(C)c1Cl 2239561499 DECOJKUTVYQNBT-CQSZACIVSA-N 324.276 5.066 30 10 DKEE Cc1ccc(Cl)cc1Nc1c(Br)cccc1C#N 2257482470 SKSIQVOARPWNPC-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1nc(-c2ccsc2)sc1C(=O)C=Cc1cccs1 2295103391 SSFPWJAEQRERJL-UHFFFAOYSA-N 317.460 5.138 30 10 DKEE CC(C)(C)c1cc(Cl)c(O)c(N=CC=Cc2ccccc2)c1 2297265219 GBFJPLUKYFIKAV-UHFFFAOYSA-N 313.828 5.759 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cc(Cl)cc(Br)c1 2304118624 BNHLSZKRBJWALG-ZIAGYGMSSA-N 317.654 5.128 30 10 DKEE CCC(CC)(CS)COCc1ccc(F)c(C)c1Cl 2339362933 IVEXBDKPFVVVJG-UHFFFAOYSA-N 304.858 5.040 30 10 DKEE CC1(C)CC(CS)(CSC[C@H]2CCCCC2(F)F)C1 2345008655 SDUIBPBUATWFJU-GFCCVEGCSA-N 308.503 5.281 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc(F)c(Cl)cc2Cl)CCC1 2377330709 RMPRTBWCSNMBEZ-OAHLLOKOSA-N 316.247 5.530 30 10 DKEE CCCCCCCC/C=C\C/C=C/C/C=C\CCCC(=O)O 32822145 UNSRRHDPHVZAHH-LAVJACEXSA-N 306.490 6.441 30 10 DKEE CCCCCCCCCCCC(=O)Nc1c(C)cccc1CC 106544406 OLDMPOJZGKQARV-UHFFFAOYSA-N 317.517 6.417 30 10 DKEE Cc1cc(Br)ccc1Oc1cccc(Cl)c1C#N 110449905 LRXKRVSFBJOBGV-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE COc1cc(C#N)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl 129883251 RXSMHQMVQGCOEV-JTQLQIEISA-N 321.207 5.047 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1sc(C)cc1C 164762857 UELOMUKUDBREIK-GOSISDBHSA-N 309.563 6.546 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)cc1Br 233160370 WDVWFVRSGDOJKO-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCC[C@H](NCC)[C@@H]1CCCC[C@H]1C(F)(F)F 252985611 LJJKPYOFSVHOTA-OAGGEKHMSA-N 307.444 5.694 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccccc1NC(=O)OC(C)(C)C 406367812 PYMKMAJVOGNHIV-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE CCCCCCCCC[C@@H](NCC)C(F)(F)C(F)(F)F 692618600 PSTLUBWYCMUHEG-GFCCVEGCSA-N 303.359 5.303 30 10 DKEE N#Cc1cc(Cl)ccc1NCc1c(Cl)cccc1Cl 696928720 GDBUFJATFIGQNZ-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCC(C)(C)CC1 710742604 VFLPFPKBHIANPN-DNVCBOLYSA-N 322.493 5.275 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2ccc(Br)c(F)c2)C1 721909151 FMOHAILNXDXLQZ-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE Cc1ccsc1C=Nc1ccc(Br)c(Cl)c1 1084331485 WOHNYGQKZNTNNT-UHFFFAOYSA-N 314.635 5.223 30 10 DKEE CCOc1ccc2c(c1)S/C(=C/C=Nc1ccccc1)N2CC 1088686891 TYELLANAQHHYNM-CLKLQPIGSA-N 324.449 5.261 30 10 DKEE CCCCCCCCCCCCCCN[C@H]1CCCC[C@@H]1O 1615946874 DSVVGSQCZNZDJB-PMACEKPBSA-N 311.554 5.581 30 10 DKEE CCCCCCCCCOc1ccc(NC(=O)C(C)C)cc1 1860135636 MWZCLOBJAIEFKE-UHFFFAOYSA-N 305.462 5.411 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1 1874634084 KTMFNESKKGAFNS-DHZHZOJOSA-N 320.432 5.463 30 10 DKEE CC(C)[C@H](C#N)CN(Cc1ccccc1)[C@@H](C)c1cccs1 1915397447 OFGVFCMSFAIVHN-FUHWJXTLSA-N 312.482 5.107 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)[C@H]1CCC[C@@H](C)C1 1917860919 NVFPDUWVYLGYCO-UWVAXJGDSA-N 301.540 5.753 30 10 DKEE C=C(COCc1ccccc1)[C@H](CC1CCCCCC1)NCC 1922072949 ZFTUZESUJSLWLN-NRFANRHFSA-N 315.501 5.098 30 10 DKEE C=C([C@H](NCCC)C(CC)(CC)C(F)(F)F)[Si](C)(C)C 1922875431 QFJUWSUJJFPSMP-ZDUSSCGKSA-N 309.492 5.157 30 10 DKEE C[C@H](CCS)CCN(Cc1ccccc1)CC1CCCCC1 1931883889 MARPJUPEPKCTKX-SFHVURJKSA-N 319.558 5.415 30 10 DKEE C=CCCCCC[C@H](NC)c1scc(C)c1Br 1950854784 FTZXAXUFSQINLS-LBPRGKRZSA-N 316.308 5.216 30 10 DKEE C=CCCCC[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 1984521294 HFWURGOPWZUQQS-OAQYLSRUSA-N 309.453 5.186 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)c1cc(C)c(C)cc1C 2000352790 MGAMDAGIQAPSQL-QFIPXVFZSA-N 323.480 5.035 30 10 DKEE Cc1cc(C#N)ccc1Oc1cccc(Br)c1Cl 2040197307 WJAPBZOHKNOPAR-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCCCCCCC[C@H](O)c1occc1Br 2086261269 JFYYWAOXEIXQTL-AWEZNQCLSA-N 315.251 5.382 30 10 DKEE C=CCCCCCCCCCN1CC=C(Br)CC1 2086280594 IWCQMFYQTDMIAQ-UHFFFAOYSA-N 314.311 5.278 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2099892914 LGNWAOMIRGMGSQ-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(C(F)(F)F)cs1 2161233611 DIVFALHREQJQHS-CYBMUJFWSA-N 308.409 5.941 30 10 DKEE CCCN[C@@H](CC#C[Si](C)(C)C)c1cc2sccc2s1 2187467626 FUCRCNXJLYCNQE-ZDUSSCGKSA-N 321.587 5.274 30 10 DKEE C=CC1(Cn2c(S)nc3c(Cl)cccc32)CCCCC1 2189597050 ISRADELALDBZOG-UHFFFAOYSA-N 306.862 5.115 30 10 DKEE N#CC1([C@H](O)c2cc3sccc3s2)CCCCCCC1 2205533042 ZCGNTZAYNLRIGY-OAHLLOKOSA-N 305.468 5.250 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)c(C)c(Cl)c1 2240639991 LPEMVEKHQRDSDU-ZDUSSCGKSA-N 316.316 6.853 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(Cl)cc(Br)c1 2250164790 KYLWKWBZDDDTMO-CQSZACIVSA-N 317.654 5.272 30 10 DKEE O=C(C#CC1CCCCC1)c1cccc(OCc2ccccc2)c1 2251442624 JLBNFZMLSKYKOY-UHFFFAOYSA-N 318.416 5.032 30 10 DKEE C=C1CCC(C[C@H](N)c2cc(Cl)c(OC)cc2Cl)CC1 2281534424 TWUHALCMIKLDOX-HNNXBMFYSA-N 314.256 5.138 30 10 DKEE CC(CCc1ccccc1)=NOCc1ccc(C(C)(C)C)cc1 2329919188 UZOZMXZNBQILIC-UHFFFAOYSA-N 309.453 5.509 30 10 DKEE C=C[C@@](C)(CNC(C)(C)C)Cc1ccc(Cl)c(Cl)c1C 2364034567 AJWCPKDWJIVQFG-QGZVFWFLSA-N 314.300 5.425 30 10 DKEE C#CC[C@H](N=C(c1ccccc1)c1ccccc1)c1ccccc1 1020605 DDZQNEVOUIYKLM-QFIPXVFZSA-N 309.412 5.289 30 10 DKEE N#Cc1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21 14475070 GQFQZGAVFMUVDX-VWPQPMDRSA-N 322.411 5.538 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 14549853 IDVMBNGZFZMBSR-LQWHRVPQSA-N 321.395 5.217 30 10 DKEE C=CCCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 96776129 ONRDOLOZTCACCH-UHFFFAOYSA-N 304.437 5.577 30 10 DKEE CC[C@H](C)c1ccccc1OCCCCCCCCCS 97799678 DKHQCRMCGNDUMQ-KRWDZBQOSA-N 308.531 6.239 30 10 DKEE CCCCCCCCN[C@H](C)c1ccccc1OCC(C)C 100048575 ZCYZXORROZHRAY-GOSISDBHSA-N 305.506 5.733 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Br)sc1C 115220743 XCPVJXCIMOYUAV-CYBMUJFWSA-N 318.324 5.569 30 10 DKEE CCCCCCCCC[C@@H](CS[C@@H](C)CC)NCCC 115646105 RKXWCVNGAQDRIR-ROUUACIJSA-N 301.584 6.027 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1ccncc1Cl 123489498 WMIICKJVVCEUEA-QGZVFWFLSA-N 310.913 5.526 30 10 DKEE CCCCCCCCCOc1cc(Cl)ccc1C(N)=S 129175069 DLNWRIDZWIVDFV-UHFFFAOYSA-N 313.894 5.104 30 10 DKEE C=CCCCCC[C@H](NCC)c1sccc1Br 233547809 LTJLMIOTDFBJBH-ZDUSSCGKSA-N 316.308 5.298 30 10 DKEE C=C(CNc1cccc(Cl)c1Br)c1ccccc1 236047932 SQSWOUFHZPWKAT-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE ON=C1CCCCCCCCCC[C@H]1N1CCc2ccccc21 254765017 HEMFWFXZZAPJNS-HXUWFJFHSA-N 314.473 5.163 30 10 DKEE N#Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)ccc1Cl 514260997 SUHXJJAAGPWCOQ-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C#Cc1cccc(N[C@@H](C)c2cc(Cl)cc(Cl)c2F)c1 692317340 GHYPBUIEWLKYAI-JTQLQIEISA-N 308.183 5.287 30 10 DKEE CC(C)(C)OC(=O)N(c1cccc(Cl)c1)[C@H](C#N)C(C)(C)C 698852155 PKWLCNOYELKAAU-CQSZACIVSA-N 322.836 5.020 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@@H](C#N)CCC(C)C)cc1 698872254 XJNPFGLYIWRDHS-QGZVFWFLSA-N 316.445 5.065 30 10 DKEE CCCCCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 703707310 BCUGFGQTEGUBMV-NSHDSACASA-N 322.707 6.268 30 10 DKEE CC#CCCCC[C@H](NCCC)c1cc(Cl)sc1Cl 1885229374 RYZXFVVOLFLCKQ-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE C[C@H](COCc1ccccc1)C[C@]1(C=O)CCCC(C)(C)CC1 1939897691 CBXJCAVYNPXBDQ-RXVVDRJESA-N 316.485 5.405 30 10 DKEE CCCCCCCCC(=O)C1CC(OCc2ccccc2)C1 1958681282 KYLWUKALUWKGKY-UHFFFAOYSA-N 302.458 5.302 30 10 DKEE C=CCCCCNc1cc(Br)c(Cl)cc1C 1993931334 BCOYYNCJJKQKHH-UHFFFAOYSA-N 302.643 5.179 30 10 DKEE CCCCCCCC[C@H](CN)N(Cc1ccccc1)[C@@H](C)CC 1995333696 CNWACXSPUOREEW-PZJWPPBQSA-N 318.549 5.365 30 10 DKEE C=CCCCCCC[C@@H](N)c1sc(Br)cc1C 2026013782 BSABQTVYRWZUNZ-GFCCVEGCSA-N 316.308 5.345 30 10 DKEE CCCC(CS)(CCC)CSCc1ccc(CC)o1 2089397187 CZCGSKZQTLJZTJ-UHFFFAOYSA-N 300.533 5.592 30 10 DKEE CCCCCCCCCC(=O)[C@H](O)c1cc(Cl)cs1 2091002052 RZFMGELIXYMLAP-HNNXBMFYSA-N 302.867 5.145 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Br)c1)C1CCCCCC1 2116849049 FGRRKZQROGTUCE-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE N#CC1(c2ccc(F)cc2Br)CC2(CCCCC2)C1 2128741207 BERIZHDNQCWFSX-UHFFFAOYSA-N 322.221 5.094 30 10 DKEE C=CCCCCCCCC[C@H](O)c1cc(C)c(Cl)s1 2142453962 WJLOHYJZENDXHK-AWEZNQCLSA-N 300.895 6.050 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H](NC)c1sccc1Cl 2148559394 JWOMIXDHYXDERL-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE C=CCC[C@H](C)[C@H](O)c1ccc(-c2ccccc2Cl)s1 2158316227 LBVLCLGEQSPTTO-SJCJKPOMSA-N 306.858 5.704 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2c(Cl)cccc2Cl)C1 2168549500 XMDOZHIMEAGDOZ-GOEBONIOSA-N 312.240 5.137 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(Cl)c1F)c1cccc(C#N)c1 2197897760 IHSCIOKMHZLAHK-SECBINFHSA-N 309.171 5.177 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 2206803737 WZABUFYHLGJHKQ-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)C=C1CCCC1 2211846987 VXPQIFILYLJVTR-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE C=CCCCCCCC(=O)c1scc(Br)c1C 2213767293 BQACNBFOJLJQEW-UHFFFAOYSA-N 315.276 5.528 30 10 DKEE C=CCCCCCCC[C@H](NN)c1cc(Cl)sc1Cl 2227283574 DTBYJJXZBPWDKU-LBPRGKRZSA-N 321.317 5.476 30 10 DKEE CCCCCCCC[C@@](C)(O)C(=O)c1csc(Cl)c1 2231925507 NNXNBYMNIBKYSI-OAHLLOKOSA-N 302.867 5.086 30 10 DKEE CCCCCCCC[C@H](C)NC(C(F)(F)F)C(F)(F)F 2240644700 MFKJUPUOCYLDKS-JTQLQIEISA-N 307.322 5.208 30 10 DKEE C=CCC[C@H](C)C(=O)c1c(C)cccc1NC(=O)OC(C)(C)C 2243557537 HEXKWDVDTVZQCG-AWEZNQCLSA-N 317.429 5.127 30 10 DKEE C=CCCCCCCCSc1cc(Cl)nc(C(C)C)n1 2287066355 WAVHEVKOABPAEL-UHFFFAOYSA-N 312.910 5.872 30 10 DKEE CC(C)C[C@H](CS)CSc1ccc(Cl)cc1Cl 2308062493 PSVZKXDJWIVCFI-SNVBAGLBSA-N 309.327 5.678 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1cccc(Cl)c1 2322511078 HZJRGVYDAOJLCM-UHFFFAOYSA-N 300.785 5.025 30 10 DKEE CC(=NOCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 2330457976 GLFWGNAKECKYOT-UHFFFAOYSA-N 312.171 5.073 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352388283 MJLKSFLNUHNEAB-CQSZACIVSA-N 304.236 5.530 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353067405 XYQLRXPFMAWNMD-AAEUAGOBSA-N 300.273 5.697 30 10 DKEE C=C1C[C@@H]1C[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366804923 AAFYAIDHLKZQQL-RHSMWYFYSA-N 312.284 5.260 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(F)c(Cl)c1F 2370481936 INYLNXFBRRGRDD-CVEARBPZSA-N 301.808 5.261 30 10 DKEE CCCCCCC[C@@H](O)C(=O)c1cc(Cl)c(C(F)F)s1 2371312284 OHEAQFVPQRPKGH-SNVBAGLBSA-N 324.820 5.243 30 10 DKEE C[C@H](Nc1ccc(OCC#N)cc1)c1cc(Cl)ccc1Cl 21516476 UXJXYHIOCGEUIY-NSHDSACASA-N 321.207 5.069 30 10 DKEE Cc1ccc(C)c(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 50039182 YZVZRBWGMPYFGJ-CQSZACIVSA-N 318.203 5.100 30 10 DKEE Cc1ccc(F)cc1-c1sc(C#N)c(N)c1-c1cccs1 62667183 LOELESINTPJYIZ-UHFFFAOYSA-N 314.410 5.045 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(OCC(C)C)cc1 100048381 UYCSEKCOCHYYSI-GOSISDBHSA-N 305.506 5.733 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1cc(C)sc1C 109900942 GDOWYNAZFUJRGP-ZDUSSCGKSA-N 303.496 5.816 30 10 DKEE CCCCCCCCCCCCNc1ccc(C)cc1Cl 110159750 YNGBEVJBJQHJGM-UHFFFAOYSA-N 309.925 6.981 30 10 DKEE CCCCCCCCCCCC[C@@H](CSC(C)C)NCC 115644720 HNPXZOXIYWDSSC-IBGZPJMESA-N 315.611 6.417 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(Cl)cc1OC 157820814 JEHPMGLUVJELHH-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE CCCCCCCNc1cc(Br)c(F)cc1F 228176018 GGGQDOPCRBFVFH-UHFFFAOYSA-N 306.194 5.110 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 250075027 JMCQCLKGRXXARE-XYJFISCASA-N 306.796 5.038 30 10 DKEE CCCCCCC[C@@H](CN)N(C)[C@H](C)c1cccc(Cl)c1 250827518 OJVKLAHEAXFDTH-QAPCUYQASA-N 310.913 5.021 30 10 DKEE CCCCCCCCCCCCN[C@H]1CCCCCCC1=NO 254625075 VLGFNYQBKXJPGA-IBGZPJMESA-N 324.553 6.050 30 10 DKEE CC(C)c1ccc(C=Nc2ccc(Oc3ccccc3)cc2)cc1 257353939 USIJFYOJHIPZGD-UHFFFAOYSA-N 315.416 6.353 30 10 DKEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698469890 OALMFILHCXTLIV-IBGZPJMESA-N 316.445 5.209 30 10 DKEE C=CC(C)(C)CCN[C@@H](C)c1c(Cl)ccc(F)c1Cl 701891228 OXTIMYDVVADFOJ-JTQLQIEISA-N 304.236 5.385 30 10 DKEE C=CCSC[C@H](NCCC)c1c(Cl)ccc(F)c1Cl 708649278 GYCJNTOXEJYOJU-LBPRGKRZSA-N 322.276 5.092 30 10 DKEE CCCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCC1 712325079 FBSCHWCGTQBIOR-GOSISDBHSA-N 308.466 5.029 30 10 DKEE Cc1ccc(N=Cc2ccc(Cl)cc2)cc1Br 1084508197 CNMICOQXUSWPKM-UHFFFAOYSA-N 308.606 5.162 30 10 DKEE FC(F)(F)c1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 1614731060 XOSPOSCSGITUHC-UHFFFAOYSA-N 314.228 5.124 30 10 DKEE CC(C)(C)C1CCC(=NOCc2cccc3ccccc23)CC1 1860464120 MORHACKUGGNWFT-UHFFFAOYSA-N 309.453 5.949 30 10 DKEE N#Cc1cccc(/N=N/N(Cc2ccccc2)c2ccccc2)c1 1860484304 GYWAFVFZDPSTDT-GHVJWSGMSA-N 312.376 5.264 30 10 DKEE CCC[C@@H](C#N)[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 1921059057 FYUYVXBSPJAVFL-BLLLJJGKSA-N 305.830 5.042 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)[C@H](C)CC(C)(C)C 1922114714 AOQUQDHOYXEQNL-XLIONFOSSA-N 317.517 5.200 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)[C@@H](C)CC 1961603762 FVWCFATWQAOJSS-SFHVURJKSA-N 303.490 5.073 30 10 DKEE C=C(F)C[C@@H](O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993583077 OCMDWYXAMMPHFZ-MRXNPFEDSA-N 323.408 5.064 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)C1CCC1 1995320644 VYCPDWXPGWHHIB-UHFFFAOYSA-N 313.529 6.348 30 10 DKEE CCc1ccc(CSCCCCCCCCCS)o1 2089397967 MEQWWMNYZRXAOF-UHFFFAOYSA-N 300.533 5.736 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc2sc(C)cc2s1 2158325932 ZZOUUVPTJNBAFG-SJKOYZFVSA-N 307.528 5.914 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@@H](C)C[C@H](C)C(F)F 2177893371 NXOFGEJBPHKYTR-KBPBESRZSA-N 309.510 5.114 30 10 DKEE N#Cc1cc(F)c(Cl)cc1NCc1cc2cscc2s1 2184454235 OMWIBASXYCLSFU-UHFFFAOYSA-N 322.817 5.239 30 10 DKEE C#CC[C@@H](C)C[C@@H](N)c1ccc(-c2ccccc2Cl)s1 2196856259 GIVFKYNRXFOKIR-IUODEOHRSA-N 303.858 5.118 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2200837311 CFGKQYDAWVLDMS-AWEZNQCLSA-N 308.771 5.753 30 10 DKEE CC#CCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NCC 2203951071 KEUUSCQPVKESLK-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE CCC1(C(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)CCCC1 2203955954 FCIDOYFEHMCNOV-CQSZACIVSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCCNc1cccc(Br)c1F 2220079735 KWHQOWSTQBAJKW-UHFFFAOYSA-N 314.242 5.527 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(Br)cc1CC 2221730915 GSEUZDHIDBPJDM-MRXNPFEDSA-N 310.279 5.018 30 10 DKEE C=C[C@H](CCCCC)OCC(=O)c1cc(Cl)sc1Cl 2231034182 SGIXQJUTZXATAO-SNVBAGLBSA-N 321.269 5.389 30 10 DKEE CCCCCCCCCCCC[S@](=N)(=O)CC1CCC1 2238716051 QTJNQEUSEWUGML-FQEVSTJZSA-N 301.540 5.754 30 10 DKEE CCCCCCCCC[C@H](N)c1cocc1Br 2249419422 HEAYHKYQLKJCPE-AWEZNQCLSA-N 302.256 5.183 30 10 DKEE C=CCC[C@H](C)C(=O)c1cc(Br)cc(C(C)C)c1 2254763925 FBBAOFQWEKJACU-LBPRGKRZSA-N 309.247 5.358 30 10 DKEE Cc1ccc(Sc2c(Br)cccc2C#N)c(C)c1 2257494290 YCSKQJHPWUYPLV-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Br)oc1C 2259196091 DERHONDGSMRIEF-AWEZNQCLSA-N 314.267 5.138 30 10 DKEE C=CCCCCCCCS[C@H]1CCCCC(F)(F)[C@@H]1N 2287195865 ZXWUTCXCQFSSID-LSDHHAIUSA-N 305.478 5.151 30 10 DKEE C=CCC(CC=C)Cc1cc(Cl)c(C)c(Br)c1 2301056266 WXXFUHVYECGWAK-UHFFFAOYSA-N 313.666 5.722 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cccc(Br)c1C 2344347037 YIAWJHZYLQNOEU-IRXDYDNUSA-N 324.306 5.401 30 10 DKEE C=CCCSCCN[C@@H](C)c1ccc(Cl)c(C)c1Cl 2353055131 SNKJZGLESVLJEZ-LBPRGKRZSA-N 318.313 5.262 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](CC)c1ccc(Cl)cc1Cl 2362220140 FVVVIGJAFLFBAL-AFAVFJNCSA-N 312.284 5.779 30 10 DKEE CCCCCC#CC[C@H](NC)c1c(Cl)cc(F)cc1Cl 2366416121 XSBHHCPAABUBIA-HNNXBMFYSA-N 316.247 5.367 30 10 DKEE C=CCC[C@@H](C)[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807665 LKJQJQWPDRVJSG-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2 14548835 KYAZTHJCMMFORA-JXXFODFXSA-N 323.461 5.530 30 10 DKEE Cc1ccc2c(C#N)c(Cl)n(CCc3ccccc3)c2c1C 71465650 AKSWJPDHJIMTDX-UHFFFAOYSA-N 308.812 5.026 30 10 DKEE CCCC(CS)(CCC)CN1CCc2sccc2[C@@H]1C 94580112 BETRFQYYGHHZOJ-AWEZNQCLSA-N 311.560 5.184 30 10 DKEE Clc1cc(Cl)c(NCC#Cc2ccccc2)c(Cl)c1 110161727 IRRKHZYWZAQGEA-UHFFFAOYSA-N 310.611 5.110 30 10 DKEE Cc1ccc(Nc2ccc(C#N)c(Cl)c2)c(Br)c1 110251040 CBBYYJIJQKZVPK-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCCn1c(S)nc2c(Cl)cccc21 125718937 COHKDMACIFNNAK-UHFFFAOYSA-N 324.921 6.119 30 10 DKEE CCCCCCC[C@@H](NCC)c1ccc(C(F)(F)F)cc1 157989814 MISATCMPPZNASD-MRXNPFEDSA-N 301.396 5.717 30 10 DKEE CCCCCCCCCC[S@](=O)c1ccc(N)cc1Cl 165651267 FKJAMEKTGPCZEE-HXUWFJFHSA-N 315.910 5.171 30 10 DKEE N#C[C@H](Sc1cccc(Br)c1)C1CCCCC1 167879744 KBJFIDRNQBLBAU-AWEZNQCLSA-N 310.260 5.014 30 10 DKEE CCCCCCCCC[C@@H](Cc1cccc(Cl)c1F)NC 212373515 ULMUPAKIWSOMTR-INIZCTEOSA-N 313.888 5.750 30 10 DKEE CC[C@@H]1CC[C@](C#N)([C@H](C)c2ccc(Br)cc2)C1 310751687 IITSFAUKKQGMJN-IOASZLSFSA-N 306.247 5.273 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 313293897 GHYSNVJYMLWKJZ-NSHDSACASA-N 312.240 5.242 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1c(Cl)cccc1Cl 387388033 JWKMDPVWINJBOB-GFCCVEGCSA-N 300.273 5.116 30 10 DKEE CCCCCCCCC[S@](=O)Cc1ccc(C(C)(C)C)cc1 526860665 ZEJKBBVCYLVJFJ-QFIPXVFZSA-N 322.558 5.983 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)c2cc(Cl)cs2)C1 688340379 BUHGCUNFTDMTRT-CYBMUJFWSA-N 311.878 5.181 30 10 DKEE CC[C@H]1CCCCC[C@H]1Nc1ccc(Br)c(C#N)c1 691102371 ORMREVIXCJVDPD-BLLLJJGKSA-N 321.262 5.092 30 10 DKEE CCCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698442743 GNMRETQRCBSJQS-LJQANCHMSA-N 316.445 5.291 30 10 DKEE CCCC(C#N)(CCC)N(C(=O)OC(C)(C)C)c1ccccc1 698443188 IPIHHTQMTVXDII-UHFFFAOYSA-N 316.445 5.291 30 10 DKEE C=CCC[C@@H](C)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1936491862 YNLCPALKOQGIOC-HUUCEWRRSA-N 318.461 5.039 30 10 DKEE CCCC(CCC)[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC 1961604051 JAIWTGLJNCVTLY-GOEBONIOSA-N 310.482 5.131 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)c1cc(Cl)c(C#N)cc1F 1974825272 JPGVZGJNMLGBTE-CYBMUJFWSA-N 316.807 5.156 30 10 DKEE CCCCCCCCC[C@@H](O)C1CC(OCc2ccccc2)C1 1976723651 QOQMZQGYTRVQNQ-XVAXZDLZSA-N 318.501 5.483 30 10 DKEE C=CCCCCCCCCNCc1cccc(Br)c1 2142453394 QQFJLBHXAIUUJJ-UHFFFAOYSA-N 324.306 5.455 30 10 DKEE CCCC1CCC(C=O)(Cc2c(Cl)cncc2Cl)CC1 2149787446 RRYUGFUFNLXULS-UHFFFAOYSA-N 314.256 5.107 30 10 DKEE CCCCCCC[C@H](N)c1ccc(SC(F)(F)F)cc1 2154635136 ZJXPIQAVPYYOKN-AWEZNQCLSA-N 305.409 5.659 30 10 DKEE C[C@H](Nc1cc(F)c(Cl)cc1Cl)c1cccc(C#N)c1 2203779666 APKPIFPBQQRFBR-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(Br)s1 2214624532 YIHYEJAHVGOKBF-UHFFFAOYSA-N 315.276 5.610 30 10 DKEE C=CCCCCCCCOc1cc(C)cc(Br)c1 2220086572 FMAFINNPRDXCMY-UHFFFAOYSA-N 311.263 5.663 30 10 DKEE C=CCCCCCC[C@@](C)(N)c1cc(Cl)cc(Cl)c1 2229571131 WTDBSOJFHAOMAU-MRXNPFEDSA-N 300.273 5.694 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ccc(Cl)c(F)c1 2235818814 PAFYZVGHSQRZTE-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE C=CC[C@H](C)S[C@H]1CCCCCC(F)(F)[C@@H]1NCCC 2360332156 ZPCGBJYTMNHYAX-SOUVJXGZSA-N 305.478 5.020 30 10 DKEE N#C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCC(F)(F)C1 2366900267 NJUFIGPSRVXTOW-CQSZACIVSA-N 318.194 5.645 30 10 DKEE CC/C(=N\O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 20595601 UTTHFDJFQILWCN-KNTRCKAVSA-N 324.207 5.161 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCC1)c1c(Cl)cccc1Cl 37344029 QLWRIOPYRYRSJZ-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccc(Br)cc2)C1 87972683 PICIWXUOQHLPMD-XJKSGUPXSA-N 306.247 5.102 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cccc(Br)c2)C1 87972799 RNEHCXNLDAJKNB-CZUORRHYSA-N 306.247 5.102 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(C(F)(F)F)ccc1F 94595109 RSURQZZEHKEVDK-HNNXBMFYSA-N 303.343 5.242 30 10 DKEE C[C@@H]1Cc2ccccc2N(CCCCCCCCCS)C1 97799116 WFWGHQNTRGWNDF-QGZVFWFLSA-N 305.531 5.346 30 10 DKEE CCCCCCCCCCCCCC(=O)NCc1cccs1 100442085 OADZUMVHSIBFPN-UHFFFAOYSA-N 323.546 6.065 30 10 DKEE CCSc1cccc(N(CC(C)C)C2CCCC2)c1C#N 136683200 XMVKOLVADHAQMH-UHFFFAOYSA-N 302.487 5.075 30 10 DKEE CCCCCCCCC[C@H](COc1cccc(Cl)c1)NC 139391314 LEVVSUOOWQAEPY-QGZVFWFLSA-N 311.897 5.448 30 10 DKEE CCCCCCCCCC[C@@H](CCCc1cccs1)NC 143451037 VWGZMHFGUHHNLO-SFHVURJKSA-N 309.563 6.190 30 10 DKEE N#CC1(Cc2ccc(Br)cc2F)CCCCCCC1 158882102 KRSJFFNXSLRMTD-UHFFFAOYSA-N 324.237 5.385 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cnc2ccsc2c1 163644676 LUWNIEQOIQDCIR-MRXNPFEDSA-N 304.503 5.827 30 10 DKEE CC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc(F)ccc2F)C1 222979549 JCNYMJJWVNPISS-ZOWXZIJZSA-N 309.425 5.411 30 10 DKEE CC(C)c1ccc(Nc2ccc(Br)cc2C#N)cc1 229165376 CZHBFKOLYBDCRG-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE Cc1ccc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)c(C)c1 252435165 IJZDNPBMXPFVMT-XYJFISCASA-N 301.499 5.750 30 10 DKEE CC[C@@H]1CC[C@@](C#N)([C@@H](C)c2ccc(Br)cc2)C1 310751688 IITSFAUKKQGMJN-WOSRLPQWSA-N 306.247 5.273 30 10 DKEE CC[C@H](C)[C@H](C)[C@@H](C#N)Sc1cccc(Br)c1 319747238 ITIGRKICJWQSDY-COPLHBTASA-N 312.276 5.116 30 10 DKEE CCCCCCCCCCCC[C@H](CC1OCCO1)NCC 319950515 XCKFACCJQAYBRQ-GOSISDBHSA-N 313.526 5.039 30 10 DKEE C=CCCCCCOc1cc(Cl)ccc1Br 708105382 HOJGKIKNEVFKLR-UHFFFAOYSA-N 303.627 5.228 30 10 DKEE C=CCCC[C@@H](NCC)c1c(Cl)cccc1C(F)(F)F 712580219 KKFACMJWWRMHFL-CYBMUJFWSA-N 305.771 5.366 30 10 DKEE FC(F)(F)c1cc(C#Cc2cccs2)cc(C(F)(F)F)c1 1614825245 BXVJIGBXOBZNGB-UHFFFAOYSA-N 320.257 5.186 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2ccc(C)cc2C)c1 1874596394 NLZBUTPZHJUICP-PKNBQFBNSA-N 306.405 5.154 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](NCC)c1sccc1Cl 1921150646 ROAHHWYUPQCVPW-CVEARBPZSA-N 317.926 5.164 30 10 DKEE C=CCN(Cc1ccccc1)c1cccc(F)c1C(F)(F)F 1961689754 CVQSDHYUQOCUMS-UHFFFAOYSA-N 309.306 5.037 30 10 DKEE CCCCCCCCCC[C@H](N)CCCOCc1ccccc1 1976705097 VMXPOOUEEBGQIL-NRFANRHFSA-N 319.533 5.842 30 10 DKEE C=CC1(CC(=O)c2cccc(Cl)c2Br)CCC1 2002614893 DHZHOSUMEXSCNR-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(C)c(Br)s1 2026023888 KRAGTHQQNBGQGV-LBPRGKRZSA-N 317.292 5.379 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(-c2cccs2)cs1 2107939820 KZDZEIMVTSOCEY-CYBMUJFWSA-N 311.903 5.660 30 10 DKEE C=C([C@H](NC)c1ccc(-c2cccs2)s1)[Si](C)(C)C 2140968380 SKAUSVAHUJQIOQ-HNNXBMFYSA-N 307.560 5.171 30 10 DKEE CCCCCCC[C@H](O)[C@@H](NCCC)c1cscc1Cl 2148347388 ULKCWRUVHWVUCI-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(C(F)(F)F)cs1 2161233612 DIVFALHREQJQHS-ZDUSSCGKSA-N 308.409 5.941 30 10 DKEE CCCCCCC[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2179252614 ATZBHDGHSMTCHL-AWEZNQCLSA-N 308.771 5.753 30 10 DKEE C=CCCCCC[C@H](O)c1sc(C)c(C)c1Br 2215894675 DVOXIWIUEBOCHB-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1cc(Cl)sc1Cl 2223555761 DXNWUEDBEDMYRF-IINYFYTJSA-N 306.302 5.178 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(Cl)cccc1Cl 2227288688 WBZAINWHZUTPFW-HNNXBMFYSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCCCOCc1ccc(Cl)nc1Cl 2234043261 PBVGSWCJBGPAML-UHFFFAOYSA-N 316.272 5.822 30 10 DKEE CC[C@H](NCCC#CC(C)(C)C)c1ccc(Cl)cc1Cl 2238719218 FSIODYREQKXMQF-INIZCTEOSA-N 312.284 5.474 30 10 DKEE CCCCCCCCCCCCOC[C@H](CS)CCC 2239502405 UFXCGUIRNYFUNY-GOSISDBHSA-N 302.568 6.270 30 10 DKEE CCCCCCCC[C@@](C)(O)Cc1cccc(Cl)c1Cl 2240622910 ZGIACGKPTKMBIP-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE CCCCCCCC[C@](C)(O)[C@@H](NC)c1cscc1Cl 2240642209 JVROWEOVSIZBGL-HOTGVXAUSA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@@H](C)NCc1cc2sccc2s1 2240667564 XRAMGUOYXSLKJE-CQSZACIVSA-N 309.544 6.192 30 10 DKEE C=C(C)CCCC[C@@H](CCCOCc1ccccc1)NCCC 2244652738 NFVRURIOEBYZKS-NRFANRHFSA-N 317.517 5.488 30 10 DKEE C=C(C)CCCC[C@@H](Cc1ccc(Br)cc1)NCC 2271790295 DYWMVEYUCBVXRJ-KRWDZBQOSA-N 324.306 5.106 30 10 DKEE CCCCCCCC[S@@](=N)(=O)C[C@H]1CCCCC1(F)F 2283105386 AIGLGVCKORPIPB-JLTOFOAXSA-N 309.466 5.219 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1cc(Cl)ccc1Cl 2287464875 DSGIEQYEKXSSPK-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352390785 YQPWCDOATMLTFN-MEBBXXQBSA-N 304.236 5.385 30 10 DKEE Cc1c(C(=O)CC#CC2CCCCC2)ccc(Cl)c1Cl 2364446904 TVINAJLATLTVBI-UHFFFAOYSA-N 309.236 5.458 30 10 DKEE CC[C@H](Nc1ccc(Cl)c(C#N)c1)c1cccc(Cl)c1 36973306 XEMYXSUYCNNCRA-INIZCTEOSA-N 305.208 5.428 30 10 DKEE CC[C@H](Nc1cc(C#N)cc(F)c1C)c1ccc(Cl)cc1 37089334 GCYXRTOGGGTVFO-INIZCTEOSA-N 302.780 5.222 30 10 DKEE CC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 37393267 FVMCVFKJRHRFBH-MRXNPFEDSA-N 305.208 5.428 30 10 DKEE CCCCCCCCCOc1ccc(CC[C@@H](C)O)cc1OC 104739722 LAXWTPHTKVUELH-QGZVFWFLSA-N 322.489 5.138 30 10 DKEE CCCCCCCCCC(=O)c1cc(Cl)c(N)c(Cl)c1 125850917 DJILMTDMFQUYDL-UHFFFAOYSA-N 316.272 5.899 30 10 DKEE CCCCCCCCC[C@H](O)[C@H](C)Oc1cccc(Cl)c1 135350714 YKXAVXQFPUUEBA-YJBOKZPZSA-N 312.881 5.609 30 10 DKEE CCCCCCCCC[C@@H](COc1ccc(Cl)cc1)NC 139508539 ZXYVYIUQFDQFJW-KRWDZBQOSA-N 311.897 5.448 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(F)ccc1Br 158050312 RDNHSWRTZHMEBF-OAHLLOKOSA-N 316.258 5.209 30 10 DKEE CC(C)c1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cc1 212577282 QRZBTBQLRNCTRX-YHYXMXQVSA-N 319.231 6.013 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](Sc2ccc(Cl)cc2)C1 222236379 NNVSWCDLRHRXRQ-VBQJREDUSA-N 321.917 6.177 30 10 DKEE CCCCCCCC[C@@H](Cc1cccc(Cl)c1Cl)NC 228977974 MRCDHJPAYCRSRJ-HNNXBMFYSA-N 316.316 5.875 30 10 DKEE CCCCCCCCNc1cc(F)ccc1Br 232238379 VATGKKYHXMGCFI-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE O=[N+]([O-])c1cccc(/C=N\[C@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)c1 254812624 PLBLXJMHUYUZIW-HGBBTKGQSA-N 324.424 5.073 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cc2Cl)C1 322547420 USHMJINBBCMIIS-UEKVPHQBSA-N 314.281 5.804 30 10 DKEE CCCCCCCCC[C@H](Cc1ccsc1Cl)NCC 687836184 JXDGVFVPVMETIH-MRXNPFEDSA-N 315.954 6.063 30 10 DKEE CCCC[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468675 LNTPZLFVUDMGPN-LJQANCHMSA-N 316.445 5.209 30 10 DKEE CC(C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccc(Cl)cc1 698854220 DJNCXCJYWUBXGW-KRWDZBQOSA-N 322.836 5.020 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)Sc1cccc(Br)c1 704940899 SQTZWCZIGGSXGO-UGFHNGPFSA-N 324.287 5.260 30 10 DKEE CCCCCCCOc1cc(Cl)ccc1Br 708107821 ZSDOCXJREBTUAF-UHFFFAOYSA-N 305.643 5.452 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(Cl)cc1C(F)(F)F 712568810 GMWASQBGKATBFN-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 715725617 ZSMUNLLKLGIWJQ-DYESRHJHSA-N 309.453 5.128 30 10 DKEE CCCCCCCC[C@@H](N)C[C@@H](C)COCc1ccccc1 719195111 PZROICRBQVEGDQ-UYAOXDASSA-N 305.506 5.307 30 10 DKEE N#CC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1 1614662141 FGNCPZYNNKJGHB-UHFFFAOYSA-N 321.264 5.450 30 10 DKEE Cc1c(F)c(F)c(-c2ccc(C(F)(F)F)cc2)c(F)c1F 1848368928 RIERESRTWNTRSO-UHFFFAOYSA-N 308.196 5.237 30 10 DKEE CCCCCCCCN(C)c1c(N)ccc(Cl)c1Cl 1887126907 VGOSNRUVPPHDPG-UHFFFAOYSA-N 303.277 5.372 30 10 DKEE CC(C)[C@H](CS)CN(Cc1ccccc1)CC1CCCCC1 1931883262 DGNKWOXMNVGXTN-FQEVSTJZSA-N 319.558 5.271 30 10 DKEE C=CCCCCCCCC[C@@H](O)CCCNCc1ccccc1 1995325580 MHWXWIZCWGLHBD-OAQYLSRUSA-N 317.517 5.224 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2scc(Cl)c2Cl)CC1 2061178366 KYUVLGIOGZXWEN-VIFPVBQESA-N 303.254 5.620 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2102112239 RBEYXMQCYBDCTD-BLLLJJGKSA-N 300.273 5.636 30 10 DKEE CCCCCCCCN(C)[C@H](C)C(=O)c1ccc(Cl)s1 2196690832 NSQSCNPBXCJZMS-CYBMUJFWSA-N 315.910 5.265 30 10 DKEE C#CC[C@H](C)C[C@@H](NCC)c1cc(-c2cccs2)cs1 2196859037 QQYOGPYPKVDAIK-DZGCQCFKSA-N 303.496 5.177 30 10 DKEE N#CC[C@H](Nc1ccc(Cl)c(Cl)c1F)c1ccccc1 2197909623 WSDIGORYLFKELS-LBPRGKRZSA-N 309.171 5.199 30 10 DKEE C#CC(C)(C)C[C@@H](NCC)c1ccc(-c2cccs2)s1 2205876930 NGPFAJJPSFNTMJ-CYBMUJFWSA-N 303.496 5.177 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@@H](C(C)(C)C)C1 2212097168 IVGBUISQUYVUNI-BEFAXECRSA-N 322.493 5.132 30 10 DKEE CCCCCCCC[C@@](C)(O)C[C@@H](C)COCc1ccccc1 2212659921 JIEMNLADQBQJAF-TZIWHRDSSA-N 320.517 5.731 30 10 DKEE CC[C@H]1CC=C(C(=O)c2scc(Br)c2C)CC1 2213771013 YWPHDYCFFKKYGM-JTQLQIEISA-N 313.260 5.138 30 10 DKEE CCCCCCCCCOc1ncc(Br)cc1C 2223241799 OHPSNUPNLOYBFU-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE C=CCCCCCCC[C@@]1(O)CCC[C@H](P(C)(C)=O)C1 2235520254 XMOYLFYIEAWNJM-DLBZAZTESA-N 300.423 5.200 30 10 DKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)c1sccc1Cl 2239467980 MEORYOMZQGKMBY-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE CC(C)(C)C#CC=CCCc1ccc(Br)cc1F 2256695543 BPHZCNCLSDSPBV-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE CC(C)c1ccccc1Nc1c(Br)cccc1C#N 2269692887 SZNSYHBOHSZCBX-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2270966477 FTANBZXJAJRKLR-BZNIZROVSA-N 300.273 5.555 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2271798136 NXGGWUHSEJJQCO-QGZVFWFLSA-N 324.306 5.709 30 10 DKEE C=C(C)CCCC[C@@H](Cc1cc(Cl)ccc1Cl)NCC 2287411866 ZVJBXIIVEAKMQU-INIZCTEOSA-N 314.300 5.651 30 10 DKEE CCCCCCCCC[C@@H](C)NCC[C@H](C)P(C)(C)=O 2295668065 DINNNRWQEUPFFG-SJORKVTESA-N 303.471 5.507 30 10 DKEE CCCOc1ccc2ccccc2c1C=CC(=O)c1ccccc1 2322545503 KGSBGPIAGFQVEY-UHFFFAOYSA-N 316.400 5.525 30 10 DKEE CCCCC[C@@H]1O[C@H]1CC=CCC=CCC=CCCCC(=O)O 2333317125 JBSCUHKPLGKXKH-OALUTQOASA-N 320.473 5.428 30 10 DKEE C=C(C)C[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2341924093 SCLBLKWSLXUVBF-INIZCTEOSA-N 324.306 5.363 30 10 DKEE COc1c(Cl)cc(C[C@@]2(C#N)CCC23CCC3)cc1Cl 2365503616 MJCDMFZDXKRKPV-MRXNPFEDSA-N 310.224 5.019 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(C(F)(F)F)cc1Cl 2370618645 ORPPBQTYCQJFOE-UONOGXRCSA-N 306.755 5.385 30 10 DKEE CC(=O)/C(=C\Nc1cc(Cl)cc(Cl)c1)c1ccccc1 5283333 OYVZFVYJXNEKPN-MHWRWJLKSA-N 306.192 5.035 30 10 DKEE C=C(C)COc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 9822609 KOSGONJWLFCZNK-UHFFFAOYSA-N 323.436 5.191 30 10 DKEE CCCc1oc(-c2cc(Cl)cc(Cl)c2OC)cc1C#N 77081980 RIVDTYKCCYQKAD-UHFFFAOYSA-N 310.180 5.086 30 10 DKEE CCCCCCCNC[C@@H](C)Oc1ccc(C(C)(C)C)cc1 100027369 COOBWXKUOOGCGP-QGZVFWFLSA-N 305.506 5.311 30 10 DKEE CCOc1ccc(N/C=C/C(=O)c2ccc3ccccc3c2)cc1 104214671 LXMIMOIREZFLNR-BUHFOSPRSA-N 317.388 5.047 30 10 DKEE CCCCCCCCO[C@@H](c1ccccc1Cl)[C@@H](N)CC 109988720 OORQOMZQPLJPEE-ROUUACIJSA-N 311.897 5.496 30 10 DKEE CCCCCCCCCCNCc1cnc(C(C)(C)C)s1 129220856 UYDIPSPNPDIZGK-UHFFFAOYSA-N 310.551 5.671 30 10 DKEE C[C@H](N[C@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)s1 134707096 WJSFNDJCHIQKQU-MNOVXSKESA-N 324.371 5.050 30 10 DKEE FCCCCCCCCCCC#CCCO[C@H]1CCCCO1 146461090 FWMBMAAUYQVPNQ-LJQANCHMSA-N 312.469 5.404 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)[C@@H]1CCCS1 157650289 RVCPMGIIRQUSTN-OALUTQOASA-N 313.595 6.171 30 10 DKEE CCCCCCCCCCCOc1ccccc1C(=O)OC 210704208 DBWADXNENRVSSO-UHFFFAOYSA-N 306.446 5.383 30 10 DKEE Fc1ccc(-c2csc(NN=C/C=C\c3ccccc3)n2)cc1 254307999 HLGOXGBDTNWXIK-UNRKAEKFSA-N 323.396 5.060 30 10 DKEE CCOC=Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 254863229 HVWDOTBJSZTBFE-UHFFFAOYSA-N 316.360 5.182 30 10 DKEE N#CC1(c2cc(F)c(OCc3ccccc3)c(Cl)c2)CCC1 260407478 FIKBYSLYZUAENX-UHFFFAOYSA-N 315.775 5.003 30 10 DKEE CC(C)(C#N)CCCCSc1ccc(Cl)cc1Cl 322723720 SXKYQRJPVHGBML-UHFFFAOYSA-N 302.270 5.806 30 10 DKEE Cc1ccc([C@@H](C)N(C)CC2(CS)CCCCCC2)s1 387307187 RQMOPWDERRRECO-OAHLLOKOSA-N 311.560 5.320 30 10 DKEE CCCCCCCCCCN=c1[nH]c2ccc(OC)cc2s1 388224268 XHQBWPHVEGXQAD-UHFFFAOYSA-N 320.502 5.279 30 10 DKEE C=C(CC)C[C@@H](N)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 407732332 IKZWUUAAHDEENY-OAHLLOKOSA-N 324.852 5.043 30 10 DKEE C=CCC1(NCc2c(Cl)ccc(Cl)c2Cl)CCCC1 700728021 FOHNLRNMKWWXIA-UHFFFAOYSA-N 318.675 5.625 30 10 DKEE CCCCCCC[C@](C)(C#N)N(CCC)C(=O)OC(C)(C)C 710827032 GPDJOUKFVCFHKY-GOSISDBHSA-N 310.482 5.276 30 10 DKEE CCCCCCCCCOc1ccc2c(c1)OC(=C(C)C)C2=O 1871429946 VOBSZHNKEKYYHO-UHFFFAOYSA-N 316.441 5.685 30 10 DKEE C=C(COCc1ccccc1)[C@@H](N)CCCCCCCCC 1922054982 NXJYCSQGYICSHC-FQEVSTJZSA-N 303.490 5.227 30 10 DKEE C=CCCCCC[C@@H](N)c1c(C)sc(C)c1Br 1948478871 PTKMCHRWEALGGX-GFCCVEGCSA-N 316.308 5.264 30 10 DKEE C=C1CC(C[C@H](NCC)c2ccc(OCc3ccccc3)cc2)C1 2011091931 RHZFDQPNYJZGLI-QFIPXVFZSA-N 321.464 5.273 30 10 DKEE Cc1cc(Oc2cccc(Br)c2Cl)ccc1C#N 2040197094 UAUXYTIBKLZBDY-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C1CCC(CC[C@H](O)c2ccccc2Br)CC1 2050500590 ONDNPDTZARTZHW-INIZCTEOSA-N 309.247 5.009 30 10 DKEE N#Cc1sc(-c2cc(F)cc(C(F)(F)F)c2)cc1Cl 2080389520 CGELQBPPZFNDJZ-UHFFFAOYSA-N 305.683 5.098 30 10 DKEE N#CC1(COc2c(Cl)cc(Cl)cc2Cl)CCCCC1 2109996535 XZKZHIVKFWJAGY-UHFFFAOYSA-N 318.631 5.500 30 10 DKEE C=C(C[C@@H](NCCC)c1ccccc1Br)C(C)(C)C 2113422514 QSAQEPYWKCDWGH-MRXNPFEDSA-N 324.306 5.482 30 10 DKEE C[C@@H](Nc1cc(Cl)c(C#N)cc1F)c1ccc(Cl)s1 2120886675 DULKGBSYBLFKTK-SSDOTTSWSA-N 315.200 5.239 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2cc(Cl)c(Cl)s2)cc1C 2156093548 KBLAFMTVWUMCLE-LLVKDONJSA-N 324.232 5.162 30 10 DKEE C[C@]1(P(C)(C)=O)CCCN1CCCCCCCCCS 2181600817 GMDHUNUGKKKILR-INIZCTEOSA-N 319.495 5.082 30 10 DKEE CCCCCC#CC[C@H](Cc1ccc(Cl)cc1Cl)NC 2203792462 QBSTVQCXEKNTRB-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE C=CCCCCC[C@H](NC)c1ccc(-c2cccs2)s1 2205874306 ZBKVTTWFLAOAOA-AWEZNQCLSA-N 305.512 5.874 30 10 DKEE C=CCCCCCCCC[C@H](O)[C@@H]1CS[C@H](C)[C@H](C)S1 2207402284 BCKRQOFOULAPHV-QZWWFDLISA-N 316.576 5.280 30 10 DKEE CCCCCCCCCOc1ncc(C)cc1Br 2223239699 FLDICIUFSKDNHR-UHFFFAOYSA-N 314.267 5.282 30 10 DKEE C=CCCCCC[C@H](Cc1cc(Cl)ccc1Cl)NCC 2234040376 GCRCQYVGUWBBDL-MRXNPFEDSA-N 314.300 5.651 30 10 DKEE Cc1cc2sc(C(=O)C#Cc3ccc(Cl)cc3)cc2s1 2239473874 OWYJCWXYPGTRNA-UHFFFAOYSA-N 316.834 5.159 30 10 DKEE Cc1c(Br)ccc(NCC=CC#CC(C)(C)C)c1C 2268765989 LMJIUSRHZJJFIK-UHFFFAOYSA-N 320.274 5.084 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cccc(C)c1Br 2271783985 AHNSLFVKBAYNNV-MRXNPFEDSA-N 324.306 5.545 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)C[C@H]1CC[C@H](C)C1 2284000361 QKILHOPNBMWHKA-ZWOKBUDYSA-N 301.540 5.610 30 10 DKEE C=CCCCCCCCS[C@@H](c1ccc(C)s1)[C@@H](C)N 2287097760 ZKBLKDIPIRVJJS-NVXWUHKLSA-N 311.560 5.705 30 10 DKEE CCCCCCCC[C@@H](NC)c1c(Cl)sc(Cl)c1C 2336096848 SRUZMJRQEROSIY-GFCCVEGCSA-N 322.345 6.374 30 10 DKEE N[C@@H](CC#CC1CCCCC1)c1c(Cl)cc(F)cc1Cl 2366402606 CZUHTUHZGRUZPV-HNNXBMFYSA-N 314.231 5.106 30 10 DKEE C[C@H]1CCC[C@](C=O)(CCCCC(F)(F)C(F)(F)F)C1 2368178217 ZDZDEDIBGZMMGE-NWDGAFQWSA-N 300.311 5.140 30 10 DKEE CC[C@H](Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 37393280 VLEPMPGJKFGOCA-INIZCTEOSA-N 305.208 5.428 30 10 DKEE C/C(=N\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 59505165 VMTORUWCSRMHEZ-RQZCQDPDSA-N 309.152 5.042 30 10 DKEE N#Cc1cc(Nc2cc(Cl)cc(Cl)c2)nc2ccccc12 68771914 BKZAJLWAGRFCFP-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CC[C@@H](C)Oc1cccc(-c2cc(C#N)c(C(F)(F)F)o2)c1 77086224 CILHCSIGDPZDIX-SNVBAGLBSA-N 309.287 5.014 30 10 DKEE N#Cc1ccc(Sc2ccccc2Br)c(Cl)c1 110354195 CODXZCHINLQFEU-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCCNc1c(Cl)cccc1Cl 115095495 NIAHEBRYHAMDDX-UHFFFAOYSA-N 302.289 6.546 30 10 DKEE CCCCCCCCCC[C@@H](O)CSc1ccccc1C 116740483 YAGKINCHBPIPTO-GOSISDBHSA-N 308.531 5.979 30 10 DKEE CCCCCCCCCC[C@@H](N)CSc1ccccc1C 116740797 CUPWSUSGDXWZKY-GOSISDBHSA-N 307.547 5.945 30 10 DKEE N#Cc1ccc(Cl)cc1Sc1ccc(O)c2ccccc12 163445070 FCOCTYLIFSRBPR-UHFFFAOYSA-N 311.793 5.222 30 10 DKEE CCCCCCCCC(=O)c1ccc(Br)cc1C 164754883 KUFHTSPFTNLVJG-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE CCCCCCCCCCCCC(=O)c1cc(C)c(C)s1 165108773 XMZFLMVKAYFZRN-UHFFFAOYSA-N 308.531 6.859 30 10 DKEE CCCCCCCCC[C@@H](N)c1occc1Br 166488398 QGGMFFXUPIAJRR-CYBMUJFWSA-N 302.256 5.183 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(Cl)cc1Br 236302914 XCNLRUDYLYFTII-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE C=CCCCCCCNc1nc(Cl)nc2sc(C)cc12 380541266 VZCXLMUQOMEVLX-UHFFFAOYSA-N 309.866 5.202 30 10 DKEE CC(C)(C)OC(=O)Nc1ccc(C(=O)C2=CCCCCC2)cc1 405629089 XGHGONDEHYPYOM-UHFFFAOYSA-N 315.413 5.107 30 10 DKEE C=CCC[C@H](C)Nc1ccc(NC(=O)OC(C)(C)C)cc1C 690844385 YYPCGLOPMITZBH-AWEZNQCLSA-N 304.434 5.109 30 10 DKEE CCCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 698482735 FYJIUMGWIYNREA-QAPCUYQASA-N 310.482 5.275 30 10 DKEE CCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698872369 FJPDDIKLFBVBKC-INIZCTEOSA-N 308.466 5.029 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 821224300 LLOWOSBRHAOUEY-XUTLUUPISA-N 313.828 5.160 30 10 DKEE Clc1ccc(Oc2ccc(N=Cc3ccccc3)cc2)cc1 1088706608 DJWKGXZRFMLTHQ-UHFFFAOYSA-N 307.780 5.883 30 10 DKEE N#Cc1c(-c2ccccc2C(F)(F)F)cccc1C(F)(F)F 1848368075 JBXGBMOURICMST-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C=C([C@@H](NCC)c1cc2ccc(F)cc2s1)[Si](C)(C)C 1922872642 HCYUBFDBDHQRKR-MRXNPFEDSA-N 307.510 5.125 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1N(Cc1ccccc1)CC1CCCCC1 1946754593 UETWVQLHPHMDHB-FCHUYYIVSA-N 324.512 5.541 30 10 DKEE C[C@@H](N(Cc1ccccc1)Cc1ccc(F)c(C#N)c1)C(C)(C)C 1946839414 NYDHHNGYYYLMJO-MRXNPFEDSA-N 324.443 5.134 30 10 DKEE N#C[C@H](CN(Cc1ccccc1)C1CCCCC1)C1CCCCC1 1946852230 STOCOLGDRCWJQW-OAQYLSRUSA-N 324.512 5.541 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@H]1CCC[C@@H]1C(F)(F)F 1962675639 UURAJHZOBNMGKA-SJORKVTESA-N 311.391 5.043 30 10 DKEE Cc1cc(C)c([C@H](C)n2nc(C(C)C)c(C#N)c2Cl)c(C)c1 2079999159 VTMCDXWQMMQLTQ-AWEZNQCLSA-N 315.848 5.066 30 10 DKEE CCCCCCCCC[C@@H](O)C(=O)c1ccsc1Cl 2090887345 PFNDHYBMKDZZFP-CYBMUJFWSA-N 302.867 5.086 30 10 DKEE CC(C)C(CCOc1cc(Br)cc(C#N)c1)C(C)C 2132724017 AWYWAMOKPRPSJY-UHFFFAOYSA-N 324.262 5.018 30 10 DKEE CC(C)C1CCC(C#N)(Cc2c(Cl)cncc2Cl)CC1 2149733182 BRMKMUQSGYKUQQ-UHFFFAOYSA-N 311.256 5.287 30 10 DKEE CSc1ccccc1[C@@H](C)Nc1cccc(Cl)c1C#N 2152745299 PHNDLWIXKITTQR-LLVKDONJSA-N 302.830 5.107 30 10 DKEE N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2F)c(F)c1F 2197918915 UIYCTYXDRKJVNI-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1cnc(Cl)c(Cl)c1 2207414874 QGTFJEPTORZDJG-OAHLLOKOSA-N 316.272 5.729 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Br)cs1 2214624799 VWVHQKJLNPYKQO-CYBMUJFWSA-N 317.292 5.461 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(CN[C@@H](C)CC)cc1 2217116568 LEPYOLNDVDJNDC-IBGZPJMESA-N 322.496 5.157 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc(Cl)cc(Cl)c1 2235519606 RPBXGSZMYGUJBY-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE FC1CC(CS)(CSc2ccc(Cl)c(Cl)c2)C1 2247047497 XAGUFSFFPAYVFJ-UHFFFAOYSA-N 311.274 5.134 30 10 DKEE C=CCCCCC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2286522815 CDJZRNQXORNEFB-KRWDZBQOSA-N 314.300 6.089 30 10 DKEE FC(F)(F)C1(CSC[C@@H](CS)c2ccccc2)CCC1 2290388607 WQSIJVIKHDQPFD-CYBMUJFWSA-N 320.445 5.166 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cc(Cl)cc(Cl)c1Cl 2321225477 QBFCAKOMJCPUMJ-KBPBESRZSA-N 307.648 5.673 30 10 DKEE CCCCCOc1cc(C)c2c(c1)OC(=Cc1ccccc1)C2=O 2324262605 LIQACVNWFITDQU-UHFFFAOYSA-N 322.404 5.180 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)cc(F)c1Cl 2344379352 XNBBHNIFHRIYHU-HUUCEWRRSA-N 304.236 5.385 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(OC)c(Cl)s1 2365819080 KTVAQTXGSISOKC-CYBMUJFWSA-N 317.926 5.941 30 10 DKEE N#Cc1ccc(NCc2ccc(Cl)cc2Cl)cc1Cl 37393333 MWQDJHDUKVJZRT-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2cc3ccccc3o2)c1 83201446 DJOOTIBVUJLNIE-ZHACJKMWSA-N 306.361 5.118 30 10 DKEE Cc1ccc(Cl)cc1Oc1ccc(C(F)(F)F)cc1C#N 88729859 NJOGHTGTUKHWHG-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE C=CCCCCCCCc1oc2cc(OC)cc(OC)c2c1C 90750405 CUHSATOYGGNPDK-UHFFFAOYSA-N 316.441 5.828 30 10 DKEE CCCCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NC 109738707 BXYFSRUSDUFPES-OAHLLOKOSA-N 316.316 5.875 30 10 DKEE CCCCCCCCC[C@@H](CSc1ccccc1)NCC 115824380 SIVGWTILGWSUAJ-SFHVURJKSA-N 307.547 5.898 30 10 DKEE CCCCCCCCCCNCc1ccc(Br)o1 124786357 NIGYYEFNXPANBK-UHFFFAOYSA-N 316.283 5.272 30 10 DKEE CCSc1cccc(Sc2cccc(Cl)c2)c1C#N 136994893 VYIPMCKWLPQRNU-UHFFFAOYSA-N 305.855 5.475 30 10 DKEE CC(C)C[C@](C#N)(CCCC1CCN(C)CC1)c1ccccc1 248092905 WGFHNFPDBCUEIH-NRFANRHFSA-N 312.501 5.006 30 10 DKEE C=CCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 407218009 ODHZYGZJOWUBEO-CQSZACIVSA-N 324.852 5.043 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@H](C#N)Sc1cccc(Br)c1 704940895 SQTZWCZIGGSXGO-DFBGVHRSSA-N 324.287 5.260 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(C)c(Br)c1C 719611505 HISBETXFVVFFFM-OAHLLOKOSA-N 313.279 5.460 30 10 DKEE CCCCCCC[C@@](C)(O)c1cccc(Br)c1F 1919910711 RTVWFXYFQJXCIP-OAHLLOKOSA-N 317.242 5.156 30 10 DKEE C=C([C@@H](N)c1cc(Cl)c(C)c(Br)c1)C(C)(C)C 2002243267 YGJJGYWJWYEYOC-CYBMUJFWSA-N 316.670 5.013 30 10 DKEE CCCCCC#CC[C@H](N)c1ccc(OCc2ccccc2)cc1 2024370939 RICRINDUXKSFHQ-QFIPXVFZSA-N 321.464 5.239 30 10 DKEE CCCC(CS)(CCC)COCC(C)(C)C(F)(F)F 2094253991 LWEGDCUXUOGLMW-UHFFFAOYSA-N 300.430 5.108 30 10 DKEE C=C([C@H](NCCC)c1c(Cl)cncc1Cl)C(C)(C)C 2107965320 VFQDTKHHQSIEFJ-AWEZNQCLSA-N 301.261 5.031 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1cc(Cl)c(Cl)s1 2141918302 DTYVXHVVZCYQMO-ZDUSSCGKSA-N 321.269 5.184 30 10 DKEE CCCCCCCC[C@@H](N)[C@H](O)c1cc(Cl)cc(Cl)c1 2148591669 QAAMFHAVNMUXFT-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C=CCC[C@H](C)Oc1c(Cl)cc(Cl)cc1C[C@@H](N)CC 2158325639 YCCBWSWUPAWHPV-FZMZJTMJSA-N 316.272 5.007 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1c(Cl)cccc1C(F)(F)F 2158326917 GIDJHXZFXPPWJX-IINYFYTJSA-N 305.771 5.222 30 10 DKEE C#CCCCC[C@H](O)c1ccc(-c2ccccc2Cl)s1 2173455427 MFSHFEBAWAGSQE-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE CC(C)(F)C1CCN(CCCCCCCCCS)CC1 2178849563 VQUQEBMQEYNFDM-UHFFFAOYSA-N 303.531 5.107 30 10 DKEE CCCCCCCCCN(C)Cc1cc2sccc2s1 2205539316 INZJOJGSIJOYIU-UHFFFAOYSA-N 309.544 6.145 30 10 DKEE CCCCCCCC[C@@H](C)NCc1cc(Cl)sc1Cl 2231929385 LMEXYUGZNOCQNX-GFCCVEGCSA-N 322.345 6.284 30 10 DKEE CCSc1cccc(Sc2cc(F)cc(F)c2)c1C#N 2281371170 LIVFDXGYOMMXOB-UHFFFAOYSA-N 307.390 5.100 30 10 DKEE CCCC(CS)(CCC)CSC[C@H](OC)C1CCCC1 2284029616 CSWIVGBVBGOCDA-INIZCTEOSA-N 318.592 5.441 30 10 DKEE C#CCCCC[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286472195 GAZMHVWWEIGGEU-KRWDZBQOSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(C(F)(F)F)s1 2295010062 ZKUSULXHBOYXSZ-UHFFFAOYSA-N 304.377 5.866 30 10 DKEE C#CCCCC=CCC=CCC=CCC=CCCCC(=O)O 2297732030 DTSYXKMUESYRSH-UHFFFAOYSA-N 300.442 5.440 30 10 DKEE C=CC[C@H](CNC(C)C)Cc1ccc(Cl)c(Cl)c1C 2338852293 MTTKUJKEGWNCNE-ZDUSSCGKSA-N 300.273 5.035 30 10 DKEE Cc1cc(Cl)cc(C)c1OC[C@](C)(CS)C(C)(C)C 2352090299 LNCIUROEIIAJOW-MRXNPFEDSA-N 300.895 5.318 30 10 DKEE CCCCCCCN(CC)CCCCc1ccc([N+](=O)[O-])cc1 36126629 YTYATOMQOOFRNA-UHFFFAOYSA-N 320.477 5.210 30 10 DKEE in-vitro CCCCCC[C@H](C)Nc1ccc(C#N)cc1Br 37072210 CVUKVWFTSFCLHB-LBPRGKRZSA-N 309.251 5.092 30 10 DKEE CCCCCCCC(=O)CC(=O)c1ccc(Cl)c(Cl)c1 59207847 NZFPJTUMWJXRHS-UHFFFAOYSA-N 315.240 5.496 30 10 DKEE Cc1cc(C)cc(Nc2c(C#N)cnc3ccc(Cl)cc23)c1 64438669 RJPNZFYEBVKANT-UHFFFAOYSA-N 307.784 5.120 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2ccccc2)c(Cl)c1 83193905 KROOSNPHZMVNKH-DHZHZOJOSA-N 300.785 5.025 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccccc1)C(C)C 94578621 SHURBWNXBNUAAN-UHFFFAOYSA-N 307.547 5.413 30 10 DKEE CC(C)c1ccc(SC[C@H](CS)c2ccccc2)cc1 94588807 FFGVDDLJXKYTTH-KRWDZBQOSA-N 302.508 5.616 30 10 DKEE N#CC1(Sc2ccc(Br)cc2)CCCCCC1 97241668 KJJTZWWXSXWGLW-UHFFFAOYSA-N 310.260 5.158 30 10 DKEE SCCCCCCCCCN(Cc1cccs1)C1CC1 97799442 ANDGCSKWBFPYQI-UHFFFAOYSA-N 311.560 5.373 30 10 DKEE Cc1ccc(Nc2ccc(Cl)cc2C#N)c(Br)c1 104008103 CVVVRZZPRNJYGF-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 105880116 PVGHSLXKRFBWEP-DTQAZKPQSA-N 315.501 5.474 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Cl)c2cccnc12 109901445 URMALQBBHHDKPI-AWEZNQCLSA-N 304.865 6.049 30 10 DKEE C[C@@H](Nc1ccc(F)c(C#N)c1)c1cc(Cl)ccc1Cl 109947663 YSNYLKQZUGLZMS-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccc(C(F)(F)F)cc1 116310861 UGHYVAUOXMZFLU-INIZCTEOSA-N 302.380 5.359 30 10 DKEE CCCCCCCCCC(=O)c1cncc(Br)c1 148130692 CAVJSPURAPKOGL-UHFFFAOYSA-N 312.251 5.168 30 10 DKEE CCCCCCCCC[C@@H](N)c1cccc(Cl)c1Cl 157961507 AUTFDLFYIIGFSI-OAHLLOKOSA-N 302.289 6.134 30 10 DKEE CCCCCCCCC[C@H](NC)[C@@H]1SCCS[C@@H]1CC 228160712 JWOGSPSSWUTRKZ-BBWFWOEESA-N 317.608 5.342 30 10 DKEE Cc1c(Br)cccc1Nc1ccc(C#N)cc1Cl 232244820 PRVMTJDRONLFJH-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(Br)c(C)c1 233543943 SKVCQNCDRGWOPS-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE C=CCCCCCC(=O)c1cc(Br)ccc1Cl 236055833 VOSVTGVYPVIYKH-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE CC(C)C[C@@H](C)[C@H](C#N)Sc1ccc(Br)cc1 302585525 SRMHJVRJFZGBBY-RISCZKNCSA-N 312.276 5.116 30 10 DKEE CCCC1CCC(C=O)(Cc2ccccc2Br)CC1 317304901 XLUPNUAKPSVKHZ-UHFFFAOYSA-N 323.274 5.167 30 10 DKEE CCCCCCCCC[C@@H](O)c1nscc1Br 404969095 YVHPOVAFYOALNQ-GFCCVEGCSA-N 320.296 5.080 30 10 DKEE N#Cc1cc2cc(C(F)F)sc2cc1SC(F)(F)F 725291241 IHISVFGJSHOUFJ-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE CCCCCCCCCCNC(=O)CCCc1ccc(C)cc1 1859577828 QPJCANLCYUDEHW-UHFFFAOYSA-N 317.517 5.575 30 10 DKEE CC1CCC(=NOCC(=O)c2ccc(-c3ccccc3)cc2)CC1 1860464023 GSSXTOZEUMREIT-UHFFFAOYSA-N 321.420 5.119 30 10 DKEE C#CC[C@@H](C[C@H](N)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887462552 AFJSNBBKGQLTTP-GWCFXTLKSA-N 316.659 5.086 30 10 DKEE C=CCCC(=O)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1 1889812837 FOFVRTCFGPLGHE-UHFFFAOYSA-N 319.326 5.277 30 10 DKEE CC[C@H](CS)CN(Cc1ccccc1)[C@H](C)c1cccs1 1915087098 QOZIMTHNJIOMSL-CVEARBPZSA-N 319.539 5.267 30 10 DKEE SC[C@@H](CN(Cc1ccccc1)CC1CCCCC1)C1CC1 1931883580 HZPPFLWRSUDKMY-HXUWFJFHSA-N 317.542 5.025 30 10 DKEE Cc1ccc(CN(Cc2ccccc2)CC2CCCC2)cc1C#N 1946751754 FSZOXFRLGRJIDE-UHFFFAOYSA-N 318.464 5.059 30 10 DKEE C=CCCCCCC(=O)c1sc(C)cc1Br 1978452175 XKSLGFQJHOBYKD-UHFFFAOYSA-N 301.249 5.138 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cccc(OCc2ccccc2)c1 1996468171 BMLQXNLDXWDZQN-PGRDOPGGSA-N 323.480 5.519 30 10 DKEE C=C(C)C[C@@H](NCC)c1cc(Cl)c(C)c(Br)c1 2002242069 JYJMTRUVCNONLL-CQSZACIVSA-N 316.670 5.028 30 10 DKEE C=C1CCC(C[C@H](NCC)c2cc(Cl)c(Cl)s2)CC1 2099892305 GJYLXUFPVLQKEA-ZDUSSCGKSA-N 318.313 5.842 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1ccc(Br)c(C)c1 2102112336 RTHJTMIMSIQOHA-DYVFJYSZSA-N 324.306 5.401 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H]1SCCS[C@H]1C 2142433186 DXEDJZWRVLRZNT-GOEBONIOSA-N 300.533 5.099 30 10 DKEE C=C1CCC(C[C@](C)(N)c2cc(F)c(Cl)cc2Cl)CC1 2154682743 JLPOVKZNOZTWJA-INIZCTEOSA-N 316.247 5.443 30 10 DKEE CCCCCCCNCc1ccc(C(F)(F)F)c(Cl)c1 2164681661 LHYQJQWMBYXWJO-UHFFFAOYSA-N 307.787 5.419 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccc(Cl)c(F)c1F 2176961879 KHOAVCZSYYDMHU-MRXNPFEDSA-N 303.824 5.543 30 10 DKEE CCCCCCCC[C@@H](C)NCC1(Br)CCC1 2217312350 DYHSPJFDIWYCPQ-CQSZACIVSA-N 304.316 5.033 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Cl)cc(F)c1Cl 2231172562 QLCWQTFNFKSDDX-OAHLLOKOSA-N 307.236 5.701 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1)c1cc(Cl)ccc1Cl 2234060272 XXSFLGUDEATNMF-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(Cl)c(C(F)(F)F)c1 2236288625 FSTZLALLIJYWSZ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CCCN(CCCCCCCCCCO)Cc1ccccc1 2244447311 DZIDQYYNLNRSMX-UHFFFAOYSA-N 317.517 5.178 30 10 DKEE C=C(C)CCCCC[C@@H](NCC)c1ccccc1Br 2271799583 USUACFAXWQHEAH-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)CCC1CC(F)C1 2285668064 OWLQXQBOZMMVPA-ALLBUHFWSA-N 305.503 5.312 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(CN)cc1F 2287096063 GXIDGWBWJZRLIX-UHFFFAOYSA-N 315.885 5.557 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc2c(s1)CCSC2 2287413824 LQMWQNOVDQYGNP-HNNXBMFYSA-N 309.544 5.325 30 10 DKEE CCn1c(C)c(C=NNc2ccc(Cl)cc2)c2ccccc21 2322953330 WEXOVBZASGTOGJ-UHFFFAOYSA-N 311.816 5.069 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2335103051 GMYDWSHYFJAVQR-IAQYHMDHSA-N 318.313 5.342 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ncc(C(F)F)s1 2370521493 JPPYCVOTBTZZBR-SWLSCSKDSA-N 302.434 5.114 30 10 DKEE N#Cc1ccc(CSc2cc(Cl)ccc2Cl)c(F)c1 21518100 QOMYSSFZJUDQPA-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE CCCCCCCCNc1ccc(Br)cc1F 59088791 PTTMVURPNYKFGQ-UHFFFAOYSA-N 302.231 5.361 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 59254799 WCJOHDPYTMDNQN-AWEZNQCLSA-N 301.396 5.717 30 10 DKEE N#CC1(c2ccc(Cl)cc2Cl)CC(c2ccccc2)C1 86559222 VTNKSQCYXKWTID-UHFFFAOYSA-N 302.204 5.332 30 10 DKEE CCCOc1ccccc1OCC1(CS)CCCCCC1 94583506 QWCSOLNOGVPRDZ-UHFFFAOYSA-N 308.487 5.125 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)cc1C(C)=O 110304627 OUQRQMRHTJLCBU-UHFFFAOYSA-N 310.865 6.062 30 10 DKEE CCCCCCCCCC(=O)[C@@H](C#N)c1ccc(Cl)cc1 115858049 GCOBATKCUAFDJS-KRWDZBQOSA-N 305.849 5.657 30 10 DKEE CCCCCCC[C@@H](CSc1ccccc1Cl)NCC 117520862 IWTKGLGWMUYAES-HNNXBMFYSA-N 313.938 5.771 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCc2sc(Cl)cc21 123371030 OWWOJYNBKMUTJA-LBPRGKRZSA-N 321.898 5.779 30 10 DKEE CCCCCCCCCOc1cccc(Cl)c1C[C@H](C)N 128619479 AWZAGSSWSUFACO-HNNXBMFYSA-N 311.897 5.359 30 10 DKEE CCCCCCCC[C@H](Cc1csc2ccccc12)NC 132649548 ZQWVIEJMMJFPDU-QGZVFWFLSA-N 303.515 5.782 30 10 DKEE N#CC1([C@@H](O)c2cc(Cl)sc2Cl)CCCCCCC1 312686299 GXGGUXLBHXIDJL-LBPRGKRZSA-N 318.269 5.343 30 10 DKEE CCCCCCCCCCCC[C@H](NN)C(C)(C)SC 327660856 WRQTZFNTMJLRQM-INIZCTEOSA-N 302.572 5.271 30 10 DKEE CCCCCCCCC[C@H](CN)N(CCC)Cc1ccccc1 383761617 ZMWZLQAAVHEDDD-OAQYLSRUSA-N 318.549 5.367 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Br)oc1C 396590984 LYDMLTMLNZHJJR-ZDUSSCGKSA-N 302.256 5.101 30 10 DKEE C=CCC1(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCCC1 690714838 SYRFKRZASOFSMH-UHFFFAOYSA-N 315.200 5.202 30 10 DKEE CCCc1ccccc1Oc1ccc(Br)cc1C#N 699505942 JSMOTWRQXOAKKP-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE C=CCCSc1nc(-c2ccc3c(c2)CCCC3)cs1 1860796485 HQMQCRQTIODLBY-UHFFFAOYSA-N 301.480 5.357 30 10 DKEE CCCCCCCCNC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1 1868198810 NCBGCUBHJOKWCS-GOSISDBHSA-N 321.892 5.310 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(C)c(Br)o1 1917532183 FKOCPLWVYCFWDK-CYBMUJFWSA-N 316.283 5.362 30 10 DKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1 1951318739 GGEKKJPMDTXBTD-UHFFFAOYSA-N 313.130 5.168 30 10 DKEE C=CCCCCC(=O)c1c(Cl)cccc1Br 1984510887 CXBULHMWJSDPNX-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)[C@@H](C)C(C)C 1995318622 GDCMQLQICCMIJD-NRFANRHFSA-N 315.545 6.450 30 10 DKEE C=CCCCCCCCCN(Cc1ccccc1)C[C@@H](O)CC 1995327395 HQJIUGVSYSBQEZ-NRFANRHFSA-N 317.517 5.176 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Br)co1 2003091668 XVGNZIFVXNVGSH-CYBMUJFWSA-N 302.256 5.183 30 10 DKEE CC1(C)OB([C@@H]2C[C@H]2c2ccccc2-c2ccccc2)OC1(C)C 2058991353 JFEGLKNIUDMZGM-RBUKOAKNSA-N 320.241 5.303 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](CC)c1ccc(C)cc1C 2070124903 IYWZJCBESDYQNM-QFIPXVFZSA-N 320.480 5.528 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1scc(Cl)c1Cl 2096218096 GIOSCONUKBSSES-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE C=C1CC(C[C@@H](NCC)c2cc(C)c(Br)c(C)c2)C1 2125728016 AYBVOSQEIWJMRI-MRXNPFEDSA-N 322.290 5.073 30 10 DKEE CCCCCCC[C@@H](NC)c1c(Cl)ccc(Cl)c1F 2139393296 KWEPQPXPPUOKAH-CYBMUJFWSA-N 306.252 5.754 30 10 DKEE CCCCCCCCC[C@H](NC)c1c(Cl)cncc1Cl 2164013419 SXMGSBFPUBTLIP-HNNXBMFYSA-N 317.304 5.790 30 10 DKEE CCC1(C(=O)[C@@H](C#N)c2cc(Cl)cc(Cl)c2)CCCC1 2203955953 FCIDOYFEHMCNOV-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE C=CCC[C@H](C)[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2203974788 JJDHUKHELVMXJI-GUYCJALGSA-N 314.300 5.506 30 10 DKEE C=CCCCCCCCCC[C@H](O)[C@@H]1SCCS[C@@H]1C 2207441337 HPVAALALRFYNBS-IXDOHACOSA-N 316.576 5.281 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cscc2Br)C1 2214595287 HQPSHMKLXYEPGK-RISCZKNCSA-N 312.276 5.163 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H]1CCC=C1Br 2217313846 NCOJPMAERCQHOI-DZGCQCFKSA-N 302.300 5.156 30 10 DKEE C=CCCCCCCCN1CCc2ccc(Br)cc21 2227273262 QKRZIBBTMDGASP-UHFFFAOYSA-N 322.290 5.338 30 10 DKEE C=C(C)CCCC[C@@H](N)c1cc(Br)ccc1Cl 2250131921 FUWGQUXSWIYBLG-CQSZACIVSA-N 316.670 5.239 30 10 DKEE C=CCCCSc1cc(Cl)sc1CN[C@H](C)CC 2259975715 LYJJWFXXDMZHCR-LLVKDONJSA-N 303.924 5.348 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(Br)cc1C 2271792775 XGRZLSFUYODWAB-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE C=C(C)CCCC[C@H](Cc1ccc(Cl)cc1Cl)NCC 2287474021 XOOBGVZTLUJMOS-MRXNPFEDSA-N 314.300 5.651 30 10 DKEE C=CCC[C@@H](C)[C@@H](OCCCN)c1c(Cl)cccc1Cl 2293143065 VREQPCWNFVFHBD-MLGOLLRUSA-N 316.272 5.002 30 10 DKEE C=CC[C@@H]1CCC[C@H]1NCc1ccc(OCc2ccccc2)cc1 2300179355 RXQGARSKANOYBG-IFMALSPDSA-N 321.464 5.100 30 10 DKEE N#C[C@@H](CSCc1ccc(Br)cc1)C1CCCC1 2318740632 VGRJTSDXYRGJPF-AWEZNQCLSA-N 324.287 5.012 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2340263922 LFYALEUUOYZEAV-LBPRGKRZSA-N 301.883 5.197 30 10 DKEE CCCC[C@@](C=O)(CC)Cc1cc(F)c(Cl)cc1Cl 2349886315 MVYICMQIWWZHNK-HNNXBMFYSA-N 305.220 5.461 30 10 DKEE CCCCCCCCC[C@@H](O)c1csc(C(C)(C)F)n1 2367891898 SDXPBJZFGOSOCO-CQSZACIVSA-N 301.471 5.522 30 10 DKEE CC1=C(CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@@H]2CC1=O 15168068 DGCSFZBBNZMTAQ-ICSRJNTNSA-N 300.442 5.334 30 10 DKEE biogenic O=C(/C=C/c1c[nH]c2ccccc12)c1cc(Cl)ccc1Cl 34424497 QCIOIOBCTXQIGN-VMPITWQZSA-N 316.187 5.371 30 10 DKEE CSc1ccc(Cl)cc1C(=O)/C=C/c1sccc1C 83193147 CEPLCMSXEWSPMG-GQCTYLIASA-N 308.855 5.328 30 10 DKEE FC(F)(F)c1ccccc1OCCCCCCCCCS 97799680 BKXLGAXBKYCTCC-UHFFFAOYSA-N 320.420 5.745 30 10 DKEE CCC#C[C@H](C)[C@@H](C)c1ccc(OCc2ccccc2)cc1C 107616812 BOBMSGVSYKFSKZ-PKOBYXMFSA-N 306.449 5.727 30 10 DKEE CCCCCCCCCNc1cccc(C)c1Br 131628703 NJPDYVWRWSKUDI-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H](C)Oc1cccc(Cl)c1 135350670 YKXAVXQFPUUEBA-QAPCUYQASA-N 312.881 5.609 30 10 DKEE CCCCCCCCCC[C@H](O)[C@H]1CCCc2sccc21 135557373 CETIPDVFZUFJTR-WMZOPIPTSA-N 308.531 6.060 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(C(F)(F)F)cc1 157911309 BUMHQUKPBQEYSK-INIZCTEOSA-N 301.396 5.846 30 10 DKEE Cc1ccc(Cl)cc1Nc1ccc(Br)cc1C#N 229166684 BCILAINSEBCYFL-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(F)cccc1Br 232119836 NHGGPAMMFNEDMX-GFCCVEGCSA-N 316.258 5.749 30 10 DKEE CC(C)=C1C[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O 253570634 NWHGLVFSMBKWMI-FSJYGBLLSA-N 314.513 5.935 30 10 DKEE C[C@@H](C1CC1)N(Cc1ccccc1)CC1(CS)CCCCC1 385870782 MRPBQENRDPKPOS-KRWDZBQOSA-N 317.542 5.167 30 10 DKEE C=CCC[C@@H](C)Nc1cc(NC(=O)OC(C)(C)C)ccc1C 389782802 FLCVLDSWUKRQHP-CQSZACIVSA-N 304.434 5.109 30 10 DKEE CCCCCCCCCN1Cc2cccc(Br)c2C1 713222516 XWNRGLNXLGMFKY-UHFFFAOYSA-N 324.306 5.515 30 10 DKEE CN1C=CC=C/C1=C/C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 1082888864 ICKWZICPHVNQKM-ATVHPVEESA-N 323.480 5.340 30 10 DKEE Clc1ccc(Cl)c(C#Cc2ccc(Cl)c(Cl)c2)c1 1614827389 XHLCQIRVIWTEDR-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccccc1S 1865986024 IWXUIUCPVPQBMF-UHFFFAOYSA-N 307.503 5.835 30 10 DKEE C=C(C)Cn1c(-c2ccccc2OC(C)C)nc2ccccc21 1873521827 YGOCDNLHWFQRFO-UHFFFAOYSA-N 306.409 5.067 30 10 DKEE C=C(c1ccccc1)[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 1888702150 UVGJITYTNPHWTE-OAHLLOKOSA-N 312.627 5.360 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1cccc(OCc2ccccc2)c1 1899885635 VMMHPAWEXFSQKL-UWJYYQICSA-N 309.453 5.128 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C=O)CCCC12CCC2 1921615098 AWUXNNPJSURLLE-DYVFJYSZSA-N 321.258 5.092 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)c1ccc(C)cc1C 1922091787 MRFZRASMPOZXHB-QFIPXVFZSA-N 323.480 5.117 30 10 DKEE SCC1(CN(Cc2ccccc2)CC2CCC2)CCCCC1 1932000404 NVNGZYOEKBWAGZ-UHFFFAOYSA-N 317.542 5.169 30 10 DKEE C=CC1(C[C@H](N)c2ccc(OCc3ccccc3)cc2)CCC1 1980026156 FOMJXJIIQISMJL-FQEVSTJZSA-N 307.437 5.012 30 10 DKEE C=CCCC(C)(C)CN[C@@H](C)c1cscc1Br 2013606217 BHKASGABDRXONR-NSHDSACASA-N 316.308 5.154 30 10 DKEE CC[C@@](C)(CCC=C(C)C)OCCCB1OC(C)(C)C(C)(C)O1 2014044097 AGIJYSFHZRVGRE-IBGZPJMESA-N 324.314 5.400 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(Cl)s1 2037473708 WGJDZZOATJJDJK-LBPRGKRZSA-N 309.302 6.229 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(F)cc1Cl 2139428508 IULXAGHRCOIZSK-OAHLLOKOSA-N 306.252 5.883 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H](N)c1cc(Cl)sc1C 2154485252 NGGZWFBMKCCCCF-ZBFHGGJFSA-N 317.926 5.211 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2c(Cl)cccc2Cl)CC1 2157120397 MDMBLNIQUIPWMF-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2197145974 FYWFKUFQDNRFQR-QGZVFWFLSA-N 306.236 5.357 30 10 DKEE C=C(C)CC[C@H](Cc1cccc(Cl)c1Cl)NCCC 2227509792 UIVNQTAVMWORRW-CQSZACIVSA-N 300.273 5.260 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(F)c(F)cc1Cl 2235527566 WOIGBZVRXJDCBF-MRXNPFEDSA-N 301.808 5.535 30 10 DKEE CCCCCCCCCCCOC[C@@H](C(N)=S)C(C)C 2239550844 XLAUOBWAAORZCK-MRXNPFEDSA-N 301.540 5.092 30 10 DKEE C=C(C)CCCCNCCc1ccc(OCc2ccccc2)cc1 2250163170 HQDFLLFNJVKSLQ-UHFFFAOYSA-N 323.480 5.144 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(Cl)c(O)c(Cl)c1 2278793772 OUMBUVIUVMDGOE-CQSZACIVSA-N 304.261 5.449 30 10 DKEE CC1CC(CS)(CSc2ccc(OC(F)(F)F)cc2)C1 2280056357 XWQIGNRQVNGFNN-UHFFFAOYSA-N 322.417 5.023 30 10 DKEE CC1(CSc2cc(Cl)ccc2C#N)CC(C(F)(F)F)C1 2287315782 GONURCNZUKWRHG-UHFFFAOYSA-N 319.779 5.282 30 10 DKEE C=C(C)CCCC[C@H](NCCC)[C@H]1SCCS[C@H]1CC 2287471494 BNJHGEZURKNWPL-YESZJQIVSA-N 315.592 5.118 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](NCC)c1cc(Cl)cs1 2290196035 VQNMPTVDWJGISZ-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@@H](C)NCCc1ccsc1Cl 2295679870 UBRMTVIIBJQFJH-OAHLLOKOSA-N 315.954 6.063 30 10 DKEE C=CCCC[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2335360269 CWIMGUZAFSJTOL-CQSZACIVSA-N 304.236 5.530 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(Cl)cc(Cl)c1F 2362233829 AZJYILNARXXOEK-HFAKWTLXSA-N 316.247 5.528 30 10 DKEE CCCCCCCC[C@@H](O)c1ccccc1OC(F)(F)F 115833960 YADMNZYQVWIEHV-CQSZACIVSA-N 304.352 5.369 30 10 DKEE CCCCCCCC[C@@H](NCC)c1c(Cl)cnn1C(C)C 127014115 DWPOKBBDONMRSY-MRXNPFEDSA-N 313.917 5.519 30 10 DKEE C[C@@H](CCCC(F)(F)F)Nc1ccc(F)c(C(F)(F)F)c1 163384394 QHXXFCGGZBGDRJ-QMMMGPOBSA-N 317.248 5.378 30 10 DKEE C[C@H](c1cccs1)N(C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 219962339 CSIALDHUBURWCQ-LVQVYYBASA-N 304.503 5.095 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 226802536 ZJWPSJXKQLJCAT-WOIUINJBSA-N 317.432 5.468 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(Br)c(Cl)c1 229753560 CUNGKXVDMCERTL-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCN[C@@H](C)c1csc(Cl)c1 232953935 LZAFGVNBHNIKHA-AWEZNQCLSA-N 301.927 6.193 30 10 DKEE Cc1ccc(Br)cc1C[C@]1(C#N)CCCC[C@@H]1C 314522495 GOTIHNWXEIWNMF-BBRMVZONSA-N 306.247 5.020 30 10 DKEE CCCC[C@H](CC)C[C@]1(C#N)CCCCN1C(=O)OC(C)(C)C 380949286 QHQHHACENUPUSR-LPHOPBHVSA-N 322.493 5.276 30 10 DKEE CC[C@](C#N)(C1CCC1)N(C(=O)OC(C)(C)C)C1CCCCC1 698455483 CLLSNGOEVWVVFZ-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCCCCCCCC[C@@]1(N)CCN(Cc2ccccc2)[C@@H]1C 705155584 OUHWJDQFJCDZKA-TZIWHRDSSA-N 316.533 5.119 30 10 DKEE CCCCCCCCCCN=c1[nH]c2cc(C)c(C)cc2o1 1859792865 RAMSDAGEIADJFC-UHFFFAOYSA-N 302.462 5.419 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@@]1(C=O)CCCC(C)(C)C1 1960985561 JSAPBFPXZHUSIV-XLIONFOSSA-N 302.458 5.015 30 10 DKEE Cc1ccc(C(=O)C2=CCCCCC2)c(C)c1Br 2045606643 GXVVXFNQSCJEJE-UHFFFAOYSA-N 307.231 5.139 30 10 DKEE CCCCC#CCOc1ccc(Br)cc1C(C)C 2083489008 DQXBRYMIIAFZND-UHFFFAOYSA-N 309.247 5.145 30 10 DKEE CCCC[C@](C#N)(CC)Cc1csc(-c2cccs2)n1 2164482340 PCYZPPGHSXYSSE-MRXNPFEDSA-N 304.484 5.524 30 10 DKEE C=CCCCCCCCCC[C@H](NN)c1ccsc1Cl 2207441754 KLFYPBXJIMJSQG-HNNXBMFYSA-N 314.926 5.603 30 10 DKEE CCCCCCC[C@H](O)c1c(F)cc(F)cc1Br 2218592268 ALMLZHHORIAVOR-ZDUSSCGKSA-N 321.205 5.121 30 10 DKEE C=CCC[C@@H](NCCC)c1sc(Cl)cc1Br 2244971144 IXVWYGKNSZSUMV-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE CCCCCCCCC[C@H](C)N[C@H]1CCC=C1Br 2263710320 CHAOMQGANBNLHR-HOCLYGCPSA-N 316.327 5.546 30 10 DKEE N[C@H](C#CC1CCCCC1)c1c(Cl)ccc(Cl)c1Cl 2273898551 UNBBNYMQWDDTEA-CYBMUJFWSA-N 316.659 5.230 30 10 DKEE CCCCCCC[C@H](NC)c1cc(Cl)c(Cl)cc1OC 2279053308 VJPQWBNTQUICCH-HNNXBMFYSA-N 318.288 5.623 30 10 DKEE Cc1cc(Cl)c(Cl)cc1N[C@H](C)c1ccc(C#N)cc1 2281506398 UCTQROJJKJNALH-LLVKDONJSA-N 305.208 5.347 30 10 DKEE Cc1cc2sc([C@H](N)CC=CC#CC(C)(C)C)cc2s1 2284173190 GAVOPGYWBJQRSK-CYBMUJFWSA-N 303.496 5.267 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(SC(F)(F)F)cc1 2287414298 ORULMNHISYAIPH-CQSZACIVSA-N 303.393 5.435 30 10 DKEE C=CCC(CC=C)Nc1c(Cl)cc(F)cc1Br 2301049827 COTJTGUAJMJMHX-UHFFFAOYSA-N 318.617 5.174 30 10 DKEE CC(C)(C)c1cc(Br)cc2c(C3CC3)c(C#N)oc12 2341064534 OZTSXSBZWJMJDT-UHFFFAOYSA-N 318.214 5.242 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1c(Cl)ccc(Cl)c1F 2344340523 SEYMDRCKYCWVKM-GJZGRUSLSA-N 304.236 5.385 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(F)c(Cl)cc1Cl 2349913655 VCRHHQMIIBFOBM-OAHLLOKOSA-N 305.220 5.693 30 10 DKEE C=CC[C@@H](C)Sc1ccc([C@H](C)NC)c(C(F)(F)F)c1 2360370446 DYQGYERAJSKUQG-MNOVXSKESA-N 303.393 5.043 30 10 DKEE C=CCC(C)(C)[C@@H](NC)c1cccc(Cl)c1C(F)(F)F 2370501747 QISDSMRAKICKKG-ZDUSSCGKSA-N 305.771 5.222 30 10 DKEE CCC[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 37393145 WOUBJGNTZGWJII-KRWDZBQOSA-N 319.235 5.818 30 10 DKEE Cc1ccc(C)c(C[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1 57759940 CMNMTVOKORBFPB-OAHLLOKOSA-N 304.220 5.460 30 10 DKEE Brc1ccc(/C=N/c2ccc3ccccc3c2)s1 59458877 DAVSEAKNKXTSQA-LICLKQGHSA-N 316.223 5.414 30 10 DKEE CC(C)(C)C1CCC(C#N)(Cc2c(Cl)cccc2Cl)CC1 87971980 DMSKHNBMGNQMHC-UHFFFAOYSA-N 324.295 6.282 30 10 DKEE CCCC(CS)(CCC)CSc1ccccc1Cl 94588821 DSBBMPMKYCFIHP-UHFFFAOYSA-N 302.936 5.949 30 10 DKEE CCCCCCCNC[C@H](C)Oc1ccccc1[C@@H](C)CC 100027389 BKEOCMZYPYSCAJ-ROUUACIJSA-N 305.506 5.527 30 10 DKEE CCCCCCCNC[C@H](C)c1ccc2cc(OC)ccc2c1 100156839 VBPUTSHKLKWHBQ-KRWDZBQOSA-N 313.485 5.512 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(Cl)cccc1C(F)(F)F 109766427 GBUAIWHUSPUMOA-GFCCVEGCSA-N 321.814 6.520 30 10 DKEE CCCCCCCCCCCCN[C@H](C)Cc1ccsc1 110166315 NMFHHTXNNBUXHQ-GOSISDBHSA-N 309.563 6.190 30 10 DKEE C/C(=N/O)c1ccc(C)cc1OCc1ccc(Cl)c(Cl)c1 110962806 RPXBCSXWRIUKGK-ODLFYWEKSA-N 324.207 5.079 30 10 DKEE CCCCCCCCCC[C@@H](O)Cc1c(F)cccc1Cl 112887724 HSAVHBHAMBZXAQ-OAHLLOKOSA-N 314.872 5.913 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)cc1Cl 162901641 QUTAEWJFXRRKAW-GFCCVEGCSA-N 319.235 5.058 30 10 DKEE CCCCCCCCCn1cc(CN)c2ccc(Cl)cc21 163985268 NFTYCCVGYFQDJX-UHFFFAOYSA-N 306.881 5.504 30 10 DKEE C=CCCCCC[C@@H](O)c1cccc(Br)c1Cl 236549957 KJVOYLXXKKMYRQ-CYBMUJFWSA-N 317.654 5.272 30 10 DKEE CC(C)C1CCC(C=O)(Cc2cccc(Br)c2)CC1 317586077 NXBYELCCBUZVOX-UHFFFAOYSA-N 323.274 5.023 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)[C@H](C)C1CC1 385891399 UWYNRILGDOTCPA-MRXNPFEDSA-N 305.531 5.023 30 10 DKEE Cc1c(Cl)cccc1Oc1cc(Br)ccc1C#N 702670032 KOJFNINCORWNIX-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C[C@@H](COCc1ccccc1)CC1(C=O)CCCCCCC1 719594194 ZNTFFXXPPKBUHT-GOSISDBHSA-N 302.458 5.159 30 10 DKEE CCN(c1cccc(C)c1)c1nccc(-c2ccccc2)c1C#N 1859864812 JISMIXJRVSILTJ-UHFFFAOYSA-N 313.404 5.087 30 10 DKEE C=CC[C@H](C)OC[C@@H](NCCC)c1ccc(Cl)cc1Cl 1913341377 NTESBHBJROKCGC-BLLLJJGKSA-N 316.272 5.015 30 10 DKEE CCCCCCCCC[C@@]1(O)CC[C@@H]1OCc1ccccc1 1934879073 VIUOMOJCLUYRPQ-VQTJNVASSA-N 304.474 5.237 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](C)c1ccc(Br)cc1 2045996697 DLWIAHPFSMJXNF-BBRMVZONSA-N 308.263 5.663 30 10 DKEE C#CCCCCCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 2141400817 MGVAOTNKCIIOID-NSHDSACASA-N 318.675 5.491 30 10 DKEE C=C1CC(C[C@@H](O)c2ccc(-c3ccccc3Cl)s2)C1 2182128219 JBWTWPQNTYOKKG-OAHLLOKOSA-N 304.842 5.458 30 10 DKEE CC#CCCCCC(=O)c1ccc(Cl)cc1C(F)(F)F 2196211210 PQKHHKMOCIAOSW-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE CCCCC#CCC(=O)c1c(Cl)cccc1C(F)(F)F 2203879694 QDAUQXDSSAWXQR-UHFFFAOYSA-N 302.723 5.125 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H]1CS[C@@H](C)[C@@H](C)S1 2207433923 CVVUWMBBLFNSKU-YVSFHVDLSA-N 315.592 5.246 30 10 DKEE CCCCCCCC[C@](C)(O)c1sc(Cl)nc1Cl 2223827592 AWMSZBJEAYZSSR-ZDUSSCGKSA-N 310.290 5.408 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(Br)c(C)n1 2227286462 MXYBBVOMDUJMED-UHFFFAOYSA-N 324.262 5.252 30 10 DKEE C[C@@H](Nc1cccc(CC#N)c1)c1cc(Cl)cc(Cl)c1 2238008012 XRPCYKCJGBFWTM-LLVKDONJSA-N 305.208 5.233 30 10 DKEE C=C(COCc1ccccc1)[C@@](C)(N)CCCCCCCCC 2246060084 IPFLVHIZXLNIOG-NRFANRHFSA-N 317.517 5.618 30 10 DKEE CCCCCCCCC[C@@H](N)c1ncc(C(C)(F)F)s1 2279294040 RIFKNSNJACGLMI-GFCCVEGCSA-N 304.450 5.395 30 10 DKEE C=CCCCCCCCSC[C@@H](O)c1cccc(Cl)c1 2287101363 OFGIVFNNQUZVCE-QGZVFWFLSA-N 312.906 5.633 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1sc(C)c(C)c1Br 2304021477 IFZNCPHZPFTBPL-KBPBESRZSA-N 316.308 5.120 30 10 DKEE CC(C)c1ccc(C=CC(=O)ON=C2CCCCCCC2)cc1 2326832527 CKGUWUIZYSEEIF-UHFFFAOYSA-N 313.441 5.467 30 10 DKEE CC(=NOCc1cc(Cl)ccc1F)c1ccc(C)cc1C 2330461816 UAUZGYHMLHUAIY-UHFFFAOYSA-N 305.780 5.037 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)c(Cl)s1 2339571938 JYNQEQKHLUVSPQ-PWSUYJOCSA-N 316.297 5.145 30 10 DKEE CCCCCCC[C@](C)(S[C@H]1CCC[C@@H](C)C1)C(=O)O 2353864436 YARNHUUFQVZFNS-VYDXJSESSA-N 300.508 5.502 30 10 DKEE C=CCC(CC=C)Sc1cc(CN[C@@H](C)CC)sc1C 2360376351 RSXOKGLFRQSJIN-ZDUSSCGKSA-N 309.544 5.558 30 10 DKEE CCCC(CS)(CCC)COC[C@@H]1CC[C@H]1C(C)(C)C 2369129584 WNFQORZZQSAXND-JKSUJKDBSA-N 300.552 5.592 30 10 DKEE C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2 14548834 KYAZTHJCMMFORA-TWOQFEAHSA-N 323.461 5.530 30 10 DKEE N#Cc1cc(NC(c2cccs2)c2cccs2)ccc1F 51636010 MPJZDYOBYREZHX-UHFFFAOYSA-N 314.410 5.022 30 10 DKEE CC(C)(C)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 59678893 PLGARUCBSNNDJT-CJLVFECKSA-N 302.421 5.525 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc(Cl)c(C)c2)c1 83193038 VQOCWERTIUPPLX-JXMROGBWSA-N 314.812 5.333 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)cc1C(=O)O 109970871 XZUHEPOZNHQWIS-UHFFFAOYSA-N 312.837 5.558 30 10 DKEE CCCCCCC[C@@H](CN)N(C)[C@@H](C)c1cccc(Cl)c1 110026979 OJVKLAHEAXFDTH-YJBOKZPZSA-N 310.913 5.021 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@@H]1CSc2ccccc21 139396925 ITCDFONTYNBCRQ-QZTJIDSGSA-N 305.531 5.605 30 10 DKEE CCCCCCCCCCCCN[C@@H](C)CCSCC 160147769 XORDDHVIDOQEPI-SFHVURJKSA-N 301.584 6.029 30 10 DKEE Fc1cc(-c2cccc(C(F)(F)F)c2)ccc1C(F)(F)F 514260596 PFNZDZIFWVCYKC-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE C#CCCCCC[C@@H](NCCC)c1cc(Cl)ccc1Cl 686697188 NGSJCYCFRXUPLN-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE CCCCCCCCCCCC(=O)Cc1ccsc1Cl 687927524 UVQFIYLSXMCMNI-UHFFFAOYSA-N 314.922 6.434 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1occc1Br 696450605 AAZHUSZJIVMHAN-CQSZACIVSA-N 314.267 5.219 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(C)cc(Br)c1 715772832 KFEGHKWJRGGCEN-BBRMVZONSA-N 310.279 5.010 30 10 DKEE CCc1ccc(C#Cc2cc(Cl)ccc2Br)cc1 1614824999 KVQLDDNDRQKABS-UHFFFAOYSA-N 319.629 5.065 30 10 DKEE N#Cc1cccc(-c2cc(Cl)c(Cl)cc2Cl)c1Cl 1848360134 WTOSQBKPIHPDNF-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=CC[C@@H](C)OC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 1913341609 PBRNDUFPJRFXLH-WBMJQRKESA-N 316.272 5.015 30 10 DKEE CCCCCCC[C@](C)(N)c1cscc1Br 1919508713 DKJSZZAKAIQNAJ-ZDUSSCGKSA-N 304.297 5.045 30 10 DKEE Cc1cc(CN(Cc2ccccc2)[C@H](C)C(C)(C)C)ccc1C#N 1947915789 JRXMFMJGZRPLOR-GOSISDBHSA-N 320.480 5.304 30 10 DKEE C=C(C)CC[C@@H](C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 2096544557 HONNWBYWHJHAQQ-MNOVXSKESA-N 304.236 5.528 30 10 DKEE C=C([C@H](NCC)c1cc(C)c(Br)c(C)c1)C(C)(C)C 2096620159 DOKQOIVOHWZEJK-INIZCTEOSA-N 324.306 5.319 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2cc(Cl)c(Cl)s2)CC1 2098752486 QYLGQEFSZYYZMF-VTGPFMDVSA-N 318.269 5.198 30 10 DKEE C=C[C@H](C)C[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2116655489 GEFHHVYASRYSQB-JSGCOSHPSA-N 300.273 5.116 30 10 DKEE C=C[C@@H](C)C[C@H](Cc1cccc(Cl)c1Cl)NCCC 2116655491 GEFHHVYASRYSQB-TZMCWYRMSA-N 300.273 5.116 30 10 DKEE CC#CCC[C@H](NCCC)c1cc(-c2cccs2)cs1 2164197684 RKHHXRGVVDFCDS-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE CCCCCCCC[C@](C)(CN)N(CCC)Cc1ccccc1 2212636782 AWAKANLLDOSDBW-OAQYLSRUSA-N 318.549 5.367 30 10 DKEE CCCCCCCC(=O)c1sc(C)c(C)c1Br 2215934642 WVQVEHMUYWNPMU-UHFFFAOYSA-N 317.292 5.671 30 10 DKEE Cc1cc(C)c(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)s1 2234290584 YZJNSYQMXJTTRY-GFCCVEGCSA-N 324.232 5.162 30 10 DKEE C=CCCCCCCCNc1cc(OC)c(Cl)cc1Cl 2235523086 BBGMEMPXKBQRJD-UHFFFAOYSA-N 316.272 5.941 30 10 DKEE C=CC1(C[C@@H](O)c2cc(Br)cc(C(C)C)c2)CCC1 2266005679 NWXFETKTDRBLNB-MRXNPFEDSA-N 323.274 5.352 30 10 DKEE CCCCCCCC[C@@H](OCCN)c1csc(Cl)c1 2276530463 UCPKMUSDQPZZMO-CQSZACIVSA-N 303.899 5.169 30 10 DKEE C=CCCCC[C@H](OCCCN)c1cc(Cl)c(Cl)s1 2277264356 AFVXDWRDQHNEFS-LBPRGKRZSA-N 322.301 5.208 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1cnc(Cl)s1 2278233506 HTCSNWSAHRGBPV-CYBMUJFWSA-N 302.915 5.415 30 10 DKEE CCCCCCCCC[C@H](O)c1cnc(C(C)(F)F)s1 2289310506 XCXCHWVLLGCGGS-LBPRGKRZSA-N 305.434 5.429 30 10 DKEE C=CCC(CC=C)SCc1c(F)cccc1Br 2298914464 DZWBAXPZXDSULF-UHFFFAOYSA-N 315.251 5.342 30 10 DKEE C=CCC(C)(C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCC 2344346655 VDLVXRXQQZGPET-HNNXBMFYSA-N 300.273 5.116 30 10 DKEE C=CCCCCC[C@@](C)(N)c1ccc(Cl)c(C)c1Cl 2353130125 RQAZZHFQQYBCLP-MRXNPFEDSA-N 300.273 5.612 30 10 DKEE CSc1cc(Nc2cccc(Cl)c2Cl)ccc1C#N 2353833004 YHAKCFSJOKQMIZ-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1cc(F)c(Cl)c(F)c1 2370540880 RJPIIKATMWMNFN-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE CCC[C@H]1CC[C@@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37154008 QMBSJXPXPRBNOB-HEHGZKQESA-N 316.495 5.497 30 10 DKEE CCCCCCn1c(-c2ccc(C#N)cc2)nc2ccccc21 43256364 KFJPCUXPGUJAIX-UHFFFAOYSA-N 303.409 5.155 30 10 DKEE CCCCCCCCCOc1ccc(CC[C@H](C)O)cc1OC 104739725 LAXWTPHTKVUELH-KRWDZBQOSA-N 322.489 5.138 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(C(F)(F)F)cc1 115652115 WNOIYXKIKXZHEU-INIZCTEOSA-N 302.380 5.880 30 10 DKEE CC[C@@H](Nc1cc(Br)ccc1C#N)C1CCCCC1 123242610 LINDSJUNRLLWEE-OAHLLOKOSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCNc1c(Cl)cccc1[N+](=O)[O-] 129410269 XUQJUYOFLKVWHI-UHFFFAOYSA-N 312.841 5.801 30 10 DKEE CCCCCCCCCCn1c(S)nc2cccc(Cl)c21 129436136 ILJDWBDXOGHDLA-UHFFFAOYSA-N 324.921 6.119 30 10 DKEE CCCCCCC[C@@H](C(=O)O)c1cc(Cl)cc(Cl)c1N 232923656 ZYOWUJPQFLWOQL-LLVKDONJSA-N 318.244 5.104 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@@H]1SCCS[C@@H]1CC 233124446 OSKYZIJMMBGUMT-BBWFWOEESA-N 315.592 5.118 30 10 DKEE CCCCCCCC[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 309777084 CPFJVCJAVRLTRH-IBGZPJMESA-N 322.493 5.420 30 10 DKEE Cc1cc(Nc2ccccc2OCc2ccccc2)ccc1C#N 310088431 HZRHVCLFHLJAIJ-UHFFFAOYSA-N 314.388 5.189 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1cccc(OCc2ccccc2)c1 695866039 XHMNZKAGLDXGTE-MRXNPFEDSA-N 308.425 5.006 30 10 DKEE CCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698869191 SAAWBAXHTKAHOZ-INIZCTEOSA-N 308.466 5.029 30 10 DKEE CCCCCCCCOc1c(F)cccc1Br 707032332 FAGGKZMOTVAUSB-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(Cl)sc1Cl 709386663 RLMSEXOERGNGKT-WZRBSPASSA-N 318.313 5.840 30 10 DKEE C=CCCC(C)(C)NCc1ccc(OCc2ccccc2)cc1 717908331 ICGXSBFFUIURAH-UHFFFAOYSA-N 309.453 5.100 30 10 DKEE CCCCCCCCC[C@@H](N)[C@@](C)(O)c1csc(Cl)c1 1920268841 HXFIIVNTWVLQDA-ZBFHGGJFSA-N 317.926 5.077 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCC)[C@H](CC(C)C)C(C)C 1922072202 RXQSYLWGWXIPHR-NHCUHLMSSA-N 317.517 5.056 30 10 DKEE C=CCCC[C@H](N)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925639643 FKYKHPLBEBTBQZ-INIZCTEOSA-N 318.461 5.007 30 10 DKEE C=C([C@H](NC)c1cc(Br)c(Cl)s1)C(C)(C)C 1978527473 RJBHBPGGPKTWLB-JTQLQIEISA-N 322.699 5.027 30 10 DKEE C[C@@H](COCc1ccccc1)C[C@@]1(C=O)CCCCC12CCC2 1981858348 VUOHVLGDGTWPAM-WIYYLYMNSA-N 314.469 5.159 30 10 DKEE Cc1cc(Br)c(C(=O)C=C2CCCC2)cc1Cl 2007982507 GYWLFUGXKZILGL-UHFFFAOYSA-N 313.622 5.094 30 10 DKEE FC(F)c1ccc(Cl)c(OC(F)(F)F)c1C(F)(F)F 2054947096 XRTAHHRFMOEPLL-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccc(C)cc1C 2070123505 LWYWURZJEFAZHT-QGZVFWFLSA-N 306.453 5.138 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc(Cl)ns1 2110892332 ABYLTSCWNWKUIL-ZDUSSCGKSA-N 302.915 5.588 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C=O)CCCCC1(C)C 2117035199 BYMLXBINMOAWDB-QGZVFWFLSA-N 323.274 5.086 30 10 DKEE C=CCCCCCC[C@@H](NC)c1c(C)cccc1Br 2141905959 QBKDZJDFTUUVQS-MRXNPFEDSA-N 324.306 5.545 30 10 DKEE CCSc1cccc(N[C@H](C)CSC(C)(C)C)c1C#N 2144716928 KEOCTZYUYUYAAS-GFCCVEGCSA-N 308.516 5.002 30 10 DKEE C=C([C@H](NCCC)c1cc2sc(C)cc2s1)[Si](C)(C)C 2156526760 AYZUCVZVAVEAPT-INIZCTEOSA-N 323.603 5.746 30 10 DKEE C#CC[C@H](C)C[C@H](O)c1ccc(-c2ccccc2Cl)s1 2196719194 LMZBGAIRFPSPHS-WFASDCNBSA-N 304.842 5.151 30 10 DKEE CCCCCCC[C@H](NC)c1c(OC)ccc(Cl)c1F 2207331574 PNBYTBLEPZXKBV-ZDUSSCGKSA-N 301.833 5.109 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1nc(Cl)cs1 2207432190 MVHSNWWJZWMYGP-CQSZACIVSA-N 314.926 5.754 30 10 DKEE CC1(C)C[C@]1(C#N)Cc1c(Br)sc2ccccc12 2217953934 KDJRHRPEGRZQTE-HNNXBMFYSA-N 320.255 5.146 30 10 DKEE C=CCCCCCCCNc1c(Cl)cc(Cl)cc1Cl 2227267107 CGGBODQLKFZGPP-UHFFFAOYSA-N 320.691 6.585 30 10 DKEE C[C@H](Nc1cccc(CC#N)c1)c1cc(Cl)cc(Cl)c1 2238008013 XRPCYKCJGBFWTM-NSHDSACASA-N 305.208 5.233 30 10 DKEE C=CC[C@H](C)[C@H](NCC)c1scc(Br)c1Cl 2242661947 QKDBOKQCWGCPTN-KWQFWETISA-N 322.699 5.027 30 10 DKEE CCCCCCC[C@H](OCCCN)c1ccsc1Cl 2276769462 FBVRMJUQSKIKFA-AWEZNQCLSA-N 303.899 5.169 30 10 DKEE C=C1CCC(C[C@H](NC)c2ccc(C(F)(F)F)s2)CC1 2295008509 JIASHGCAHKPMLQ-LBPRGKRZSA-N 303.393 5.164 30 10 DKEE CCCCCCCCC[C@@](C)(O)[C@@H](N)c1cscc1Cl 2295676274 JGXPVUVXBLQLKO-JKSUJKDBSA-N 317.926 5.293 30 10 DKEE CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(Cl)cc1 2296871836 IPKGPVMRIYENBW-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1sc(C)c(Br)c1C 2304122288 JOYMSPNZDGTVEB-UONOGXRCSA-N 317.292 5.153 30 10 DKEE CC(=NOCc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 2318633808 PROHOXGTINDRLK-UHFFFAOYSA-N 317.816 5.068 30 10 DKEE CCCCCCCCCCNC(=O)C=Cc1ccc(C)cc1 2327320496 XQKONQTVCJCGHN-UHFFFAOYSA-N 301.474 5.265 30 10 DKEE CCCCCCC[C@H](N)Cc1cc(Cl)c(OC)c(Cl)c1 2365690446 PPSFUNOTTGDDLQ-ZDUSSCGKSA-N 318.288 5.232 30 10 DKEE CCCCCCCC[C@H](N)Cc1cc(F)c(Cl)cc1Cl 2377401539 REBQVJDVPRUIRH-ZDUSSCGKSA-N 320.279 5.753 30 10 DKEE CCCCC/C=C/C[C@@H]1O[C@H]1CCCCCCCC(=O)OC 5820033 JCJMEMDHUZYVMB-ITGUVEJCSA-N 310.478 5.184 30 10 DKEE Cc1ccc(/C=C/C(=O)c2c(C)cc(OC(C)C)cc2C)cc1 83193621 FKLULDGMNUCFPV-ZHACJKMWSA-N 308.421 5.295 30 10 DKEE COc1ccc(/N=C/c2ccccc2Sc2ccccc2)cc1 90547771 MDZMUYIFIPBGRM-RCCKNPSSSA-N 319.429 5.597 30 10 DKEE CCCCCCCCOCc1cc(Br)cs1 109315225 ITFLVOHJPMCLMJ-UHFFFAOYSA-N 305.281 5.388 30 10 DKEE Cc1ccc(Nc2cc(Br)ccc2C#N)c(Cl)c1 123098754 DMICPLZWCKIMOO-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCC(=O)c1ccc(Br)cc1F 124669526 LPYPVODFFSUWLM-UHFFFAOYSA-N 315.226 5.522 30 10 DKEE CCCCCCCCCCNC(=O)c1cc(Cl)ccc1F 129272392 BBOJXONWTCYTAH-UHFFFAOYSA-N 313.844 5.350 30 10 DKEE CCCCCCCCOc1ccc(-c2ccc(CO)cc2)cc1 137715787 RFJXLQCIHFTFPT-UHFFFAOYSA-N 312.453 5.585 30 10 DKEE CCCCCCCCNCc1cc(Cl)ccc1OC(F)F 159144321 SZIGNPAZKQEARI-UHFFFAOYSA-N 319.823 5.392 30 10 DKEE N#Cc1c(Br)cccc1Sc1cccc(Cl)c1 169003127 CXBADFPQRGKKSB-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE O=C(/C=C\c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 169605849 SINVLKSUEMAJBM-NVNXTCNLSA-N 302.348 5.389 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](S[C@@H]2CCC[C@@H](C)C2)C1 216576467 QIIIXVKYJXFDFG-DUQPFJRNSA-N 307.547 6.043 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1ncc(Cl)s1 223160561 PTJSDJGHLZAGQQ-CQSZACIVSA-N 317.926 6.141 30 10 DKEE CCCCCCCOCc1c(F)ccc(Br)c1F 230350644 PDDGTZFXNYNDQO-UHFFFAOYSA-N 321.205 5.214 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccoc1Br 232923988 FHOBMIRDJVCHFI-CQSZACIVSA-N 316.283 5.443 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 233124427 XEKJAIAYAFJTJF-YVSFHVDLSA-N 315.592 5.117 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Cl)cc(Br)c1 233598996 DUCODICVUYANEJ-CQSZACIVSA-N 316.670 5.109 30 10 DKEE Cc1ccc(C[C@@]2(C#N)CCC[C@@H](C)C2)cc1Br 314292130 XYCPVRSMFJZTJZ-MLGOLLRUSA-N 306.247 5.020 30 10 DKEE CC(C)C[C@H](/N=C(/O)C[C@H]1CCCCC(O)=N1)c1cccs1 328667042 KQLHRIVOQXMVSX-KGLIPLIRSA-N 322.474 5.081 30 10 DKEE CCCCCCCC[C@@H](NN)c1ccc(C(F)(F)F)s1 394953116 ZZWNIHFFSYGHJM-LLVKDONJSA-N 308.413 5.022 30 10 DKEE N#C[C@@H](CSc1ccc(Cl)c(Cl)c1)C1CCCC1 397358321 PXWQBNYTMOYLMO-NSHDSACASA-N 300.254 5.415 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)CC1CCCCCC1 712362526 ANTRDDXWWLUCIY-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE N#CCc1c(C(F)(F)F)c(C(F)(F)F)cc2sccc12 725324508 LOPFUWRZQKDGIJ-UHFFFAOYSA-N 309.234 5.005 30 10 DKEE Cc1ccc(/C(=N/OCc2cc(Cl)ccc2F)C2CC2)cc1 821226467 FTFKHQHDJYTJTM-UZYVYHOESA-N 317.791 5.118 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccccc1Br 821996685 KYYSZYIALSQDIK-CPUCHLNUSA-N 322.290 5.235 30 10 DKEE C=C(C)Cn1c(CC23CC4CC(CC(C4)C2)C3)nc2ccccc21 1873515137 GXBALQKGADAGOI-UHFFFAOYSA-N 320.480 5.371 30 10 DKEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](c1ccccc1)C1CCCCC1 1891919561 XAQVAAYPQQUBFX-QHAWAJNXSA-N 323.480 5.060 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccc(Br)s1 1920165744 FQFIGYQMJVBKKP-AWEZNQCLSA-N 318.324 5.435 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CC1=CCCCC1)NCCC 1922113999 YWPAFAQHXUPZCN-OAQYLSRUSA-N 313.485 5.018 30 10 DKEE C=C([C@@H](NCCC)c1c(Cl)cccc1Cl)[Si](C)(C)C 1922875043 OSFULJOXWXVLQU-OAHLLOKOSA-N 316.348 5.468 30 10 DKEE C=CCCCCN[C@@H]1CCC(C)(C)C[C@H]1OCc1ccccc1 1977491092 PYMRGRKVWVCLSJ-WOJBJXKFSA-N 315.501 5.096 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)[C@H]1CCCC(C)(C)C1 1980285589 IERQFOZFLGHYQN-KXBFYZLASA-N 322.493 5.131 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C#N 2000880899 ZMVYPZIXXZQOIT-PCCBWWKXSA-N 324.512 5.419 30 10 DKEE C=CCC[C@@H](C)[C@H](N)c1cc(Cl)c(C)c(Br)c1 2002244511 OZARCPWBSVYPRF-OTYXRUKQSA-N 316.670 5.013 30 10 DKEE C=C(Cl)CC[C@@H](NCCC)c1cccc(Br)c1 2003683846 RMBVNSKVKMYYIH-CQSZACIVSA-N 316.670 5.023 30 10 DKEE O=C1C(=Cc2ccc(F)cc2)CCC/C1=C\c1ccc(F)cc1 2048404512 STPNBQOTKFPYEG-AWFLZDIASA-N 310.343 5.185 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](CC)c1ccc(CC)cc1 2070169624 XOPUHXHQAHODQK-NRFANRHFSA-N 306.453 5.084 30 10 DKEE CCCc1ccc(-n2nc(-c3ccccc3)c(C#N)c2Cl)cc1 2080311809 ADZXMXUTVFGMLP-UHFFFAOYSA-N 321.811 5.017 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C=O)CCCC(C)(C)C1 2112205866 FQTMTBBFZSXGRF-KRWDZBQOSA-N 323.274 5.086 30 10 DKEE Cc1ccc(C[C@]2(C=O)CCCCC2(C)C)cc1Br 2117029414 IZSFFAOQLHRKHW-KRWDZBQOSA-N 323.274 5.086 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C=O)CCCCC1(C)C 2117037697 VBNXWMGLZRBGGC-DYVFJYSZSA-N 323.274 5.338 30 10 DKEE CCCCCCCCCCCC[C@](C)(O)CSC(C)C 2144742063 GCDJGDPZCOXLOG-SFHVURJKSA-N 302.568 6.190 30 10 DKEE CN(CCCCCCCCCS)C[C@@H]1CCC[C@@H](F)C1 2152361490 VEZDVXSGHJHAFL-IAGOWNOFSA-N 303.531 5.107 30 10 DKEE CCCCCCC[C@H](C)N[C@H]1CCC[C@@H](P(C)(C)=O)C1 2160836378 OQYHSJSLWPGWRW-YESZJQIVSA-N 301.455 5.259 30 10 DKEE CCCCCCCCCC[C@@H](O)c1csc(C(F)F)n1 2188700963 GZAQSBLAPUUMCQ-CYBMUJFWSA-N 305.434 5.645 30 10 DKEE C=C([C@H](NC)c1cc(Cl)cc(C(F)(F)F)c1)[Si](C)(C)C 2200839421 QJAKUJITJDNTLU-ZDUSSCGKSA-N 321.846 5.053 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cscc2Br)C1 2214595284 HQPSHMKLXYEPGK-FZMZJTMJSA-N 312.276 5.163 30 10 DKEE C=C[C@H](CCCCC)Oc1c([N+](=O)[O-])ccc(Cl)c1Cl 2239494884 JPKKWBKUPAYWTG-SNVBAGLBSA-N 318.200 5.415 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1 2289854969 OJONCLSVRGVUQL-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE SCC1(COCCCc2cc(Cl)cc(Cl)c2)CCC1 2341122604 UMTLVJGHFSOACI-UHFFFAOYSA-N 319.297 5.043 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(F)c(Cl)c(F)c1 2370522718 SHGKZZINWMUITR-HOTGVXAUSA-N 301.808 5.261 30 10 DKEE FC(F)(F)c1ccc(Cl)c(/N=C/c2c[nH]c3ccccc23)c1 32620423 VMGHIZZALNUICM-LSFURLLWSA-N 322.717 5.591 30 10 DKEE Cc1ccc(C(=O)/C=C\Sc2nc3ccccc3s2)cc1 35253884 XUZWRUOXZLJBCN-KHPPLWFESA-N 311.431 5.093 30 10 DKEE N#Cc1ccc(Cl)cc1NC1CC(c2ccccc2Cl)C1 36954532 HFYCNQPNZAFCPE-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CCCCCCC[C@@H](CSc1ccccc1F)NCCC 116676781 NFVPGAOZFYTFGG-INIZCTEOSA-N 311.510 5.647 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2cccc(F)c2Br)C1 157843614 ZZYPQNPHOOSSBP-BLLLJJGKSA-N 324.237 5.241 30 10 DKEE CC(C)c1ccc([C@@H](C#N)C(=O)c2sccc2Cl)cc1 159063678 GFWVHBHLPWTTBS-CYBMUJFWSA-N 303.814 5.015 30 10 DKEE C=C(Cl)CSC(=S)Nc1ccc(Cl)c(Cl)c1 205875569 HHNFQIOTHQNSRR-UHFFFAOYSA-N 312.674 5.176 30 10 DKEE Cc1cc(C#N)cc(N[C@@H](C)c2ccc(Cl)cc2Cl)c1 308120052 FJOBUJLIXHSIFQ-NSHDSACASA-N 305.208 5.347 30 10 DKEE CC(C)C(C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C(C)C 312232720 HXPNMHGBXGURMX-CYBMUJFWSA-N 312.240 5.098 30 10 DKEE Fc1ccc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1 514260643 HXVUWFBWJSBZCX-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE CCN(CC)c1ccc(N=Cc2c(O)ccc3ccccc23)cc1 606514916 REHRPCNPDPURHN-UHFFFAOYSA-N 318.420 5.142 30 10 DKEE CCCCCCCCCCC[C@H](N)Cc1ccsc1Cl 687836137 JSLQCPZROLDVFV-INIZCTEOSA-N 315.954 6.192 30 10 DKEE C[C@@H]1CCCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698376698 MFDJOERVXDMLIX-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 698872844 HJBZCYRWKNAPSQ-SFHVURJKSA-N 308.466 5.029 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1cccc(Cl)c1Cl 704005605 LLBSIBJYUYUDQS-GFCCVEGCSA-N 300.273 5.636 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)c2cccc(Br)c2)C1 719361564 OTBUXIWSQGNZEN-DMEJVMROSA-N 306.247 5.129 30 10 DKEE N#CCc1ccc2cc(SC(F)(F)F)sc2c1Cl 725286143 GVGINYWJTTXOOG-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE N#CCc1csc2cc(Cl)c(SC(F)(F)F)cc12 725286209 KGJVOIJKVVTIJX-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE C/C(=N\OCc1cc(Cl)ccc1F)c1ccc(Cl)cc1 1857936597 UWMNNGVBTUVTHK-VXLYETTFSA-N 312.171 5.073 30 10 DKEE CCSc1ccc(/C(C)=N/OCc2ccc(Cl)cc2)cc1 1857936902 NMZKTONHDGUCSD-CPNJWEJPSA-N 319.857 5.393 30 10 DKEE C=CCN(C(=O)c1ccc(C(C)(C)C)cc1)C1CCC(C)CC1 1860008602 UEGSKYDRONKQCP-UHFFFAOYSA-N 313.485 5.191 30 10 DKEE CCCCC[C@@H](CC)N(C)c1cc(Br)ccc1C#N 1879294061 CXWRQZUKKGMFER-OAHLLOKOSA-N 323.278 5.116 30 10 DKEE CCC(CC)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 1926161417 ISHUINASPWEKLO-KRWDZBQOSA-N 316.445 5.147 30 10 DKEE C=CCC[C@H](C)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1C 1975919915 NZVRMSFQFIRDCQ-ZDUSSCGKSA-N 317.429 5.127 30 10 DKEE CCCCCCC[C@@H](O)Cc1cccc(C)c1Br 2027607430 MCASUILAANVGII-OAHLLOKOSA-N 313.279 5.021 30 10 DKEE C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](C(=O)O)CCC/C(C)=C\C[C@@H]12 2069568545 FVDVQQJLECWRKH-HFTQQROYSA-N 304.474 5.596 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1cccc(Cl)c1Cl 2102106429 MTRKSDNCQXJVAS-BLLLJJGKSA-N 300.273 5.636 30 10 DKEE CC1(CNc2cccc(Br)c2C#N)CCCCCC1 2116027701 FWFMCFCGKFZZJT-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCCC#CC[C@@](O)(CC)c1cccc(Br)c1 2138950848 NPRKKEVQMYIDFU-KRWDZBQOSA-N 323.274 5.021 30 10 DKEE C=CCCCCCCCCCNc1cccc(Br)c1 2142453647 SVGRUIBSFQEUIL-UHFFFAOYSA-N 324.306 6.168 30 10 DKEE CCCCCCCC[C@@H](NC)[C@@H](O)c1cc(Cl)sc1C 2154430643 BAOKTNIMXSWYDA-ZBFHGGJFSA-N 317.926 5.082 30 10 DKEE CCCCCCCCCOCc1cnsc1Br 2216936704 ZVACYSRAKGTYCI-UHFFFAOYSA-N 320.296 5.173 30 10 DKEE C=CCCC[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2227307700 AYVGSCLBWYUOQB-AWEZNQCLSA-N 320.691 6.044 30 10 DKEE CCCCCCCC[C@](C)(O)C(=O)c1cscc1Cl 2231930679 RYVRFGWQFSDJSL-HNNXBMFYSA-N 302.867 5.086 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccc(F)c(Cl)c1F 2235518292 FGLISIOXZMYPCI-AWEZNQCLSA-N 301.808 5.535 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cc(F)cc(Cl)c1 2238006784 MOFATENHVPBTSQ-SECBINFHSA-N 309.171 5.177 30 10 DKEE C=C[C@@H](CCCCC)OC[C@@H](N)c1ccc(Cl)c(Cl)c1 2239511525 VUMNVZRARNVNON-XJKSGUPXSA-N 316.272 5.145 30 10 DKEE CCN[C@@H](C#Cc1cccc(Cl)c1)c1scc(C)c1Cl 2239558311 FKVHAVVLMWKZQC-AWEZNQCLSA-N 324.276 5.066 30 10 DKEE C=CCCCCCCCNc1cc(C)c(Cl)cc1Cl 2277445872 ROFJFXPCYPDESQ-UHFFFAOYSA-N 300.273 6.240 30 10 DKEE CSc1c(C=Nc2ccc(Cl)cc2)[nH]c2ccccc12 2297510217 MHMZRLQGTLULLU-UHFFFAOYSA-N 300.814 5.294 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1ccc(Cl)cc1Cl 2364090379 VKRBINOPALGZMV-KRWDZBQOSA-N 312.284 5.803 30 10 DKEE Cc1ccc(NCc2ccc(Cl)c(Cl)c2C)cc1C#N 2364225756 BLIGYBPHMLINRV-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(Cl)c1C(F)(F)F 2370481269 CCJLWVCAUOELRJ-KBPBESRZSA-N 305.771 5.351 30 10 DKEE N#Cc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12 68771918 OCGVHMNUOMGJBU-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(Cl)cc1F 110255756 NIFTYBRGJFCTPF-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1cc(F)ccc1Cl 127664362 NZEGBAUZEMIGTA-GOSISDBHSA-N 314.872 6.433 30 10 DKEE CCCCCCCC#CCOC(=O)CCCCCCC1CC1 145110482 GRFYDLWKWKLTHT-UHFFFAOYSA-N 306.490 5.644 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(C)c(Br)c1 158133263 FQQUCVAQCWNFLW-MRXNPFEDSA-N 312.295 5.379 30 10 DKEE C=CCSc1ccccc1NC1CCC(CSC)CC1 385433814 OFEDVGAYWBAUMT-UHFFFAOYSA-N 307.528 5.298 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1N[C@@H]1CCCC[C@H]1C#N 691170082 DQVPKAHSZLGVGC-GHTZIAJQSA-N 320.436 5.068 30 10 DKEE C=CCSc1nc(-c2ccc(Cl)c(Cl)c2)cs1 1860802208 VWKVTKQLEIIWEG-UHFFFAOYSA-N 302.251 5.395 30 10 DKEE CC(C)C[C@H](CS)CN(Cc1ccccc1)C1CCCC1 1893838906 FIYWPLMZIXOORI-SFHVURJKSA-N 305.531 5.023 30 10 DKEE CCCCCCC[S@](=N)(=O)c1cccc(C(F)(F)F)c1 1918092766 NSMBQZYFTFHPFH-FQEVSTJZSA-N 307.381 5.081 30 10 DKEE CCCC(C=O)(CCC)CN(Cc1ccccc1)[C@H](C)CC 1961603761 FVWCFATWQAOJSS-GOSISDBHSA-N 303.490 5.073 30 10 DKEE C=CCCCC[C@]1(O)CCC(C)(C)C[C@@H]1OCc1ccccc1 1984552500 BGXYYRZGBVKHFI-FPOVZHCZSA-N 316.485 5.259 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2snc(Cl)c2Cl)C1 2049511357 LHGDJKKLFJOYCW-CYBMUJFWSA-N 303.258 5.103 30 10 DKEE C#Cc1cc(-c2ccccc2)nn1[C@H](C)c1c(C)cc(C)cc1C 2070162309 ZMSFXSFOBIKMIG-GOSISDBHSA-N 314.432 5.066 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1cc(C)cc(Br)c1 2070444129 FWPGPSAYRQQPLF-MLGOLLRUSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCC(=O)c1ccc(C)c(Br)c1 2085850350 VBVHBJFQMMWRKX-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2ccccc2Br)CC1 2100867143 KWGREGXUHNQLSR-QGZVFWFLSA-N 323.274 5.167 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C=O)CCCCC1(C)C 2117037699 VBNXWMGLZRBGGC-SUMWQHHRSA-N 323.274 5.338 30 10 DKEE CCCCCCCCCC[C@H](N)c1nccc(Cl)c1F 2164491890 JHBJGMPHDQVIFL-AWEZNQCLSA-N 300.849 5.405 30 10 DKEE C=C1CCC(C[C@@](C)(O)c2cc(Cl)cc(Cl)c2F)CC1 2196502336 BXAVNZDFKAFQGE-MRXNPFEDSA-N 317.231 5.477 30 10 DKEE CCCC#CCC(=O)c1ccc(-c2cccc(Cl)c2)s1 2203880159 RJUHXOCMGRUFEE-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE C=CCCCCCCCO[C@](C)(CC)CNCc1ccccc1 2211145249 JTONBRQCVDCGEF-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE CCCCCCCC[C@](C)(O)C(=O)c1ccsc1Cl 2231945889 KQSPZZPNMVHTPI-HNNXBMFYSA-N 302.867 5.086 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1cscc1Cl 2235537966 FYRVAHIVZZLWMF-KRWDZBQOSA-N 313.938 6.359 30 10 DKEE CN(CCCCCCCCCS)C[C@@H](F)C1CCCC1 2238361742 GJFDTIROQDAMII-QGZVFWFLSA-N 303.531 5.107 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Cl)ccc1Br 2250184230 YFJBIULGIZEZSR-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE CCCN[C@@H](C#CC1CCCC1)c1cc(Cl)sc1Cl 2274069291 FAVXALGYJSIVBF-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE N#C[C@@H](CSC[C@H]1CCCCC1(F)F)C1CCCCC1 2283106905 JWXHDOXLVSPBHD-LSDHHAIUSA-N 301.446 5.265 30 10 DKEE C=CCCCCCCCSC[C@](O)(C(C)C)C(F)(F)F 2287097617 XXDKACAEHKTMOY-AWEZNQCLSA-N 312.441 5.196 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cscc1C(F)(F)F 2287464902 FBEYCSVDKDGEIG-AWEZNQCLSA-N 305.409 5.554 30 10 DKEE CCOc1ccc(C=CC(=O)c2cc(Cl)ccc2Cl)cc1 2294300111 SWEWDWSNCCNFFQ-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE C=CCCCCCC[C@H](N)c1sc(C(F)(F)F)cc1C 2295247672 LAVFFZBHOJGIOY-LBPRGKRZSA-N 305.409 5.602 30 10 DKEE CCCCCCCCC=CCCCCCCCCC(=O)OC 2297748823 HHJGGWUNSRWUFJ-UHFFFAOYSA-N 310.522 6.587 30 10 DKEE CCCCOc1ccccc1C=C1Oc2cc(C)c(C)cc2C1=O 2314519544 SHZSLDHHTFEECW-UHFFFAOYSA-N 322.404 5.099 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(Cl)c(Cl)cc1Cl 2321113354 OAXCAADADSFKOP-UONOGXRCSA-N 306.664 5.639 30 10 DKEE Clc1ccc(C(=NOCc2cccc(Cl)c2)C2CC2)cc1 2330309975 FHHJYCZIYCUONQ-UHFFFAOYSA-N 320.219 5.324 30 10 DKEE C[C@H]1C[C@H](OCCCCCCCCCS)C[C@@H](C)S1 2339995689 VCPWFITUJPTERS-MUJYYYPQSA-N 304.565 5.336 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSCC1(C(F)(F)F)CCC1 2352098136 LXVUMQGHSRTNHT-LBPRGKRZSA-N 314.482 5.434 30 10 DKEE CCCN[C@@H](C#CC1CCC1)c1cc(Cl)c(Cl)cc1C 2362593277 FDLGIWWCYBMGDI-KRWDZBQOSA-N 310.268 5.146 30 10 DKEE C=CCCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NCC 2366807586 KHBGMUZVDMEHRA-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE CCCCCCC[C@H](O)CCCCC(F)(F)C(F)(F)F 2368114496 WWBKVNXREXVRKT-LBPRGKRZSA-N 304.343 5.466 30 10 DKEE CCCCCCCN(C)CCCCC(F)(F)C(F)(F)F 2368174090 JLRWHAVKVJRVLD-UHFFFAOYSA-N 303.359 5.257 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 36930601 PCMRZFZRWZDRMZ-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE CC[C@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1Cl 37071540 NZRNQUMDFFPQLA-KRWDZBQOSA-N 319.235 5.623 30 10 DKEE C=CCn1c(C2CCCC2)nc2ccc(SCCC)cc21 43256556 URGVRVUKVXTZTI-UHFFFAOYSA-N 300.471 5.382 30 10 DKEE CCCSc1ccc(CCCNc2cccc(C#N)c2)cc1 76311424 CQCRLQCHCCYBAM-UHFFFAOYSA-N 310.466 5.105 30 10 DKEE COc1cc(C)c(Cl)c(C)c1-c1cc(C#N)c(C(C)C)o1 77079924 NIVDVHCBWJZHDE-UHFFFAOYSA-N 303.789 5.221 30 10 DKEE CCOc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1Cl 82252982 CWRXTRFZKREYGH-VXLYETTFSA-N 323.223 5.147 30 10 DKEE CCCCCCCCNCc1sc2ccccc2c1Cl 105807801 FPMGVKYORHJXHK-UHFFFAOYSA-N 309.906 6.005 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(C(F)(F)F)cc1Cl 111041384 ABVZWOFBNNABOK-ZWNOBZJWSA-N 316.754 5.243 30 10 DKEE CCCCCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 113138734 OEHMRECZRLQSRD-UHFFFAOYSA-N 304.518 6.500 30 10 DKEE CCCCCCCCC[C@H](NN)c1cccc2ccsc12 124379139 MCEWTUVVBAXMLG-KRWDZBQOSA-N 304.503 5.546 30 10 DKEE CCCCCCCCCCNCc1cc(Cl)ccc1OC 129247962 OHDGJVUWOHTOSY-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE C[C@@H](N[C@@H](c1ccc(F)cc1)C(C)(C)C)c1ccc(C#N)s1 134836220 ZCNMNHSGJONFGY-PXAZEXFGSA-N 316.445 5.197 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1SCCS[C@H]1C 135769727 CNBFTMQJNIEETM-HRCADAONSA-N 303.581 5.082 30 10 DKEE CCCCCCCCC[C@@H](N)[C@H](C)Oc1cccc(Cl)c1 139471334 BMUKIYCRWGODDS-MAUKXSAKSA-N 311.897 5.575 30 10 DKEE Cc1ccsc1[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N 158331117 GSHQGTSQPPXISK-JTQLQIEISA-N 310.344 5.120 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1c(Cl)cnn1CC 158802673 NHNLOYYIIHDWMD-MRXNPFEDSA-N 314.901 5.511 30 10 DKEE CCCCCCCCCC[C@H](NCC)c1cc(OC)cs1 162351441 QHKMEWWMZWOXLQ-KRWDZBQOSA-N 311.535 5.938 30 10 DKEE Cc1ccc(Br)c(Nc2ccc(Cl)cc2C#N)c1 164004802 YPPWUVMARAKWAK-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE COc1ccc(C=Nc2ccccc2Cc2ccccc2)cc1 263631932 DNPDEJMYCLXLRT-UHFFFAOYSA-N 301.389 5.037 30 10 DKEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(C(C)(C)C)cc1 306897613 UKODDXYVYOYUSW-YPKPFQOOSA-N 300.251 5.019 30 10 DKEE CCCCCCCC[C@]1(C#N)CCCCN1C(=O)OC(C)(C)C 309777086 CPFJVCJAVRLTRH-LJQANCHMSA-N 322.493 5.420 30 10 DKEE N#C[C@@H](CNc1ccccc1OCc1ccccc1)C1CCCC1 397204195 RQAWNJWVZJTFAN-IBGZPJMESA-N 320.436 5.007 30 10 DKEE CCC[C@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 698361401 XVJGMJRYVMQSJQ-LPHOPBHVSA-N 322.493 5.275 30 10 DKEE CC[C@@H](C)C[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468776 MRGXLBVSKVRVSV-PBHICJAKSA-N 316.445 5.065 30 10 DKEE CCCCCCCC[C@@](N)(CC)c1ccc(Cl)c(Cl)c1 704507668 MPRWVLBQMMMPLV-KRWDZBQOSA-N 316.316 6.308 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(Cl)cn1 710100773 HRDKASYUCQIDPK-LBPRGKRZSA-N 304.846 5.186 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@H](C#N)C(C)(C)C)C(C)(C)C 1931998966 RUOVNBYWPAUCSH-WMZOPIPTSA-N 300.490 5.109 30 10 DKEE C=CCCCCCCCCNC(C)(C)COCc1ccccc1 1995325591 MKCZAWWAGFGXEB-UHFFFAOYSA-N 317.517 5.488 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](C)c1ccc(Br)cc1 2045996698 DLWIAHPFSMJXNF-CJNGLKHVSA-N 308.263 5.663 30 10 DKEE CC(C)c1cccc([C@H](C)n2nc(C3CCCCC3)cc2C#N)c1 2070113190 WVTLRWBUUJMHRR-INIZCTEOSA-N 321.468 5.535 30 10 DKEE N#C[C@]1(Cc2cc(Cl)sc2Cl)CCCC12CCC2 2074834908 IZERERGSKDPKCQ-CQSZACIVSA-N 300.254 5.462 30 10 DKEE CCCCCCCCCCN1CCC(Br)=C(C)C1 2077132918 NIAVWUYFTDLIRP-UHFFFAOYSA-N 316.327 5.502 30 10 DKEE CC(C)(C)[C@@H](n1nc(C2CCC2)c(C#N)c1Cl)C1(C)CC1 2080042843 MFKHCLLIIPSADR-OAHLLOKOSA-N 305.853 5.063 30 10 DKEE C=CCCCCCCC[C@H](N)c1ccccc1Br 2085842079 NDDSSPMDZLZGKK-INIZCTEOSA-N 310.279 5.366 30 10 DKEE CC1([C@](C)(C#N)Nc2ccccc2Br)CCCCC1 2101392179 ZYPHZUHLVQMHIB-INIZCTEOSA-N 321.262 5.114 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1cc(Cl)cs1 2142440835 JBIWYPMLCSWTJX-HNNXBMFYSA-N 300.895 6.132 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1ncc(Cl)s1 2142445286 DEVZQTHHSUXZOD-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE CC[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccc(Cl)cc1Cl 2143834956 BXKSGENOJIFKLH-KNXALSJPSA-N 311.256 5.116 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2cscc2C(F)(F)F)C1 2157199199 ATKGFRYJESIYID-BXUZGUMPSA-N 304.377 5.095 30 10 DKEE C=C(c1ccccc1)[C@](C)(N)c1cc(Cl)cc(Cl)c1F 2197142709 TZYPZVSOKJROIH-INIZCTEOSA-N 310.199 5.020 30 10 DKEE CCCCCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NN 2197902655 MQWOCLMPBIUNHG-MRXNPFEDSA-N 317.304 5.118 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1ncc(Cl)cc1Cl 2203787941 SJMCOLPELSKZIQ-OAHLLOKOSA-N 313.272 5.013 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1c(Cl)cccc1Cl 2207407756 GIHDUKNPDGOCEO-MRXNPFEDSA-N 314.300 6.300 30 10 DKEE C=CCCN(Cc1ccccc1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 2212375409 CEKAEFMZEYAIBJ-BHIFYINESA-N 311.513 5.671 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1ncc(SC)s1 2235521292 IEWTXVAVWCBWRO-AWEZNQCLSA-N 312.548 5.432 30 10 DKEE Cc1cc(Cl)cc([C@H](C)Nc2ccc(Cl)c(C#N)c2)c1 2237994372 FYDHPOGLPISAEE-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CCC(C)(C)CNCc1cc(Br)cc(C(C)C)c1 2265994530 DUTWLUYYGQGXGI-UHFFFAOYSA-N 324.306 5.264 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ncc(Cl)cc1Cl 2271793105 ZUAUCULATRQYIN-AWEZNQCLSA-N 301.261 5.176 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1cc(Cl)ccc1Cl 2293268108 GKQWMZQNUGOERZ-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE CCCCC=C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 2295162333 DBIHZZJBLFPWSQ-SSDOTTSWSA-N 302.180 5.201 30 10 DKEE CCCCCCC[C@@H](O)C(=O)c1c(Cl)cc(F)cc1Cl 2360487728 XKFOOITZAUTJSU-CYBMUJFWSA-N 321.219 5.037 30 10 DKEE CCCCCCCN(C)Cc1cc(Cl)c(OC)c(Cl)c1 2365736785 PZXYHEMBORHDAC-UHFFFAOYSA-N 318.288 5.404 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1ccc(Cl)cc1Cl 37938264 LFMILTZRWJFKEU-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE COc1ccc(C(=O)/C=C/c2sccc2C)cc1C(C)(C)C 83192977 MIOIDTRYCYLSKS-VQHVLOKHSA-N 314.450 5.259 30 10 DKEE C=CC/C=C/C/C=C\CCCCCCCc1cc(O)cc(O)c1 85599334 OOXBEOHCOCMKAC-HTKRNXBHSA-N 314.469 6.060 30 10 DKEE CCCCCCCCCn1c(CCC)nc2c(N)cccc21 104324893 CXUQTLLNEVOMRU-UHFFFAOYSA-N 301.478 5.322 30 10 DKEE C=CCSc1ccccc1N[C@@H](CC)c1ccc(F)cc1 109901012 AJUHELKNLNABJB-INIZCTEOSA-N 301.430 5.667 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cc(Cl)sc1Cl 115062837 AHVNCEAYPOGHPW-CYBMUJFWSA-N 322.345 6.456 30 10 DKEE CCCCCCCCCc1nn(C)c(N)c1-c1cccs1 115858266 OSIFNJQPTUBIPA-UHFFFAOYSA-N 305.491 5.024 30 10 DKEE C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CC#N 118919684 JPDIISCNKYBMAY-TVWVXWENSA-N 315.501 5.064 30 10 DKEE CCCCCCCCCn1ccc2c(Br)cccc21 130332720 AFIQEOLHTJUROV-UHFFFAOYSA-N 322.290 6.154 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)[C@H]1CCCCS1 157791034 KTVRGZRTRXOVMR-RTBURBONSA-N 313.595 6.171 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1ccc(Cl)s1 162300741 SNDLGNMWFMJGBJ-OAHLLOKOSA-N 315.954 6.583 30 10 DKEE CCCCCCC[C@@H](NCC)c1occc1Br 166533010 ABVJVMRSLVDALA-CYBMUJFWSA-N 302.256 5.053 30 10 DKEE CCCCCCCCCCC[C@@H](O)COCc1ccccc1 196309325 JWCNZDWUIKSVJI-HXUWFJFHSA-N 306.490 5.485 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(F)cc2F)C1 222274181 RFDPTEORPZOUPI-HSMVNMDESA-N 309.425 5.411 30 10 DKEE CCCC[C@H](CCC)Nc1ccc(C#N)c(Br)c1 226031579 WMBYRANATSMEAL-ZDUSSCGKSA-N 309.251 5.092 30 10 DKEE CCCCCCCCCOc1ccc(C(N)=S)c(Cl)c1 226061497 CEFZEXUFNUUNKI-UHFFFAOYSA-N 313.894 5.104 30 10 DKEE CSc1ccc([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@@H]32)cc1 226806446 YPCHZHSFIHKDNY-UWVAXJGDSA-N 318.445 5.107 30 10 DKEE CCCCCC(C)(C)CNc1ccc(C#N)c(Br)c1 228191996 FGIIAAYYDMYGNS-UHFFFAOYSA-N 323.278 5.339 30 10 DKEE C=C(CC)CNc1ccc(Br)c(Cl)c1Cl 232830802 BLWNUQOSGMXVIN-UHFFFAOYSA-N 309.034 5.134 30 10 DKEE CCCCCCC[C@H](O)c1cc(Cl)cc(Br)c1 232943522 CQUWWBUYOTZHBF-AWEZNQCLSA-N 319.670 5.496 30 10 DKEE CCN[C@@H](CC#CC(C)(C)C)c1cc(Cl)sc1Cl 305898604 WLAJNQUXWFYISD-NSHDSACASA-N 304.286 5.145 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(OCc2ccccc2)cc1 383779878 JFXIHYYWCMOAND-RXVVDRJESA-N 320.436 5.150 30 10 DKEE O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1cccs1 390714662 BVGLVMOUWYXZCW-QXMHVHEDSA-N 320.413 5.223 30 10 DKEE CCC[C@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccccc1C 698419778 QVQUHCOBCDYGTD-IBGZPJMESA-N 316.445 5.209 30 10 DKEE N#CCc1cc(SC(F)(F)F)c(C(F)F)c2sccc12 725297071 HGZYVSQYQNLUMX-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE Cc1ccc(NN=Cc2c(Cl)cccc2Cl)cc1Cl 1084010544 ZBFMRTZFOAZQDF-UHFFFAOYSA-N 313.615 5.401 30 10 DKEE CCCCCCCCCOc1ccc(NC(=O)C(C)(C)C)cc1 1860135852 ASWXEKGMFZTUQY-UHFFFAOYSA-N 319.489 5.801 30 10 DKEE C=CCC(CC=C)c1c(Br)ccc(Cl)c1F 1901010029 NAUOJCINDOTTSC-UHFFFAOYSA-N 303.602 5.477 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC2(CCCC2)C1 1916403053 VDOCZODRTMRMAM-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE C#C[C@@H]1CC[C@@H](N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)C1 1918870859 FIXJFBCYNCRPIC-GMTAPVOTSA-N 316.659 5.099 30 10 DKEE CCCCCCCCCCC[C@H](N)COCc1ccccc1 1934527375 HFXOOEFVTDCEDU-FQEVSTJZSA-N 305.506 5.451 30 10 DKEE C[C@H](COCc1ccccc1)C[C@]1(C=O)CCCC(C)(C)C1 1960985559 JSAPBFPXZHUSIV-FXAWDEMLSA-N 302.458 5.015 30 10 DKEE Cc1ccc(N(C(=O)OC(C)(C)C)[C@](C)(C#N)C(C)(C)C)cc1 1975572064 YGFOZHAKGVABSP-LJQANCHMSA-N 316.445 5.065 30 10 DKEE C=CCN(Cc1ccccc1)Cc1cc2ccccc2nc1Cl 1978819251 ZTZDBQBPYRPJDS-UHFFFAOYSA-N 322.839 5.076 30 10 DKEE O=C(C1=CCCCCC1)c1cccc(Cl)c1Br 2000214681 GUKPJLLQRXIPKQ-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CC(C)(C)C#CCC(=O)c1c(Cl)ccc(Cl)c1Cl 2045579920 MURTUZUEFBZQAG-UHFFFAOYSA-N 303.616 5.269 30 10 DKEE C=CCC[C@@H](C)[C@@H](Cc1c(Cl)cccc1Cl)NCC 2102111639 NZNAYAHOFCAEGE-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H](O)c1csc(Cl)c1 2154422057 LNVRXWVNBBBOJK-GOEBONIOSA-N 317.926 5.164 30 10 DKEE C=CCCC[C@H](NC)c1ccc(-c2ccccc2Cl)s1 2164161558 KKXPJSNIWJJCIE-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1c(Cl)cncc1Cl 2164227500 PUVLTNPCKPMWDB-OAHLLOKOSA-N 315.288 5.566 30 10 DKEE C=CC1(CNc2cc(Cl)ccc2OC(F)(F)F)CCC1 2168025146 ZTPUGMQUFSVLTN-UHFFFAOYSA-N 305.727 5.007 30 10 DKEE CC[C@](O)(c1ccc(Cl)c(Cl)c1)[C@](C#N)(CC)C(C)C 2184378250 KCPHEYZNVICLKU-HOTGVXAUSA-N 314.256 5.167 30 10 DKEE CCCN[C@@H](CCC#C[Si](C)(C)C)c1ccccc1Cl 2187476199 JESZWQZSLHLHSZ-KRWDZBQOSA-N 307.941 5.042 30 10 DKEE CC#CCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NCCC 2194067143 OESCCQVLYHWDAO-HNNXBMFYSA-N 312.284 5.098 30 10 DKEE CCCC#CC[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2203779164 QNTSYADHJCEKNU-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE CCCC#CC[C@@H](NCCC)c1cc(C(F)(F)F)cs1 2203808226 ULXCJEJCDMEKOR-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCC[C@]1(N)CS[C@@H](C(F)(F)F)C1 2207434886 FCNYPIMNZYKWHD-ZIAGYGMSSA-N 309.441 5.059 30 10 DKEE CCCC#C[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 2213339035 HSGKNVDOLCSVHR-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=CCCCCCCC[C@H](NN)c1scc(Cl)c1Cl 2227281677 SGXPPJNHYQDXMU-LBPRGKRZSA-N 321.317 5.476 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(Cl)cc(F)c1Cl 2239693245 NPDDJLYFTJZWTC-CQSZACIVSA-N 321.267 5.388 30 10 DKEE CCCCCCC[C@H](N)c1sc(Cl)cc1Br 2244970951 HRQJENWJNKYHJP-JTQLQIEISA-N 324.715 5.524 30 10 DKEE CCN[C@@H](C#CC1CCCC1)c1cc(Cl)c(Cl)cc1C 2289688403 UIXFTBOUSAODLQ-KRWDZBQOSA-N 310.268 5.146 30 10 DKEE CCCCCCCC[C@H](O)c1c(Cl)sc(Cl)c1C 2314500042 JHVDDQYPPPLLJJ-NSHDSACASA-N 309.302 6.147 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(Br)ccc1C 2321098262 IMVHAANDECRPRN-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1occc1Br 2321115885 HVUIUNZMOXITDL-GJZGRUSLSA-N 314.267 5.075 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(F)c(Cl)cc1Cl 2349913654 VCRHHQMIIBFOBM-HNNXBMFYSA-N 305.220 5.693 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1cccc(Cl)c1Cl)NCCC 2370485282 DNYZJNKGYNSGSA-OAHLLOKOSA-N 314.300 5.506 30 10 DKEE CCCCCCCOc1cccc(NC(=O)c2ccccc2)c1 100246045 ACMUZWWGHVSXTN-UHFFFAOYSA-N 311.425 5.288 30 10 DKEE Clc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1Cl 100403267 OWZLMBYALYZKQY-CNHKJKLMSA-N 319.018 6.051 30 10 DKEE CCCCCCCC[C@@H](O)c1cscc1Br 123465489 RPLHFNGKQNLMOL-CYBMUJFWSA-N 305.281 5.295 30 10 DKEE CCCCCCCCC[C@H](NN)c1ncc(Cl)cc1Cl 128458963 KUAXXGOQPMYXQF-AWEZNQCLSA-N 318.292 5.034 30 10 DKEE CCCCCCCCCCCCOC[C@H]1COC(C)(C)O1 136412931 JJEUFGMEQYMSDW-KRWDZBQOSA-N 300.483 5.075 30 10 DKEE CCCCCCC[C@@H](NCC)[C@@H](C)Oc1cccc(Cl)c1 139551445 OYIATXNAPUOVFP-CRAIPNDOSA-N 311.897 5.446 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H]1Cc2ccccc2S1 143405631 ICBIUQLEJASHFF-HKUYNNGSSA-N 305.531 5.562 30 10 DKEE CC[C@@H]1CC[C@@H](C#N)[C@@H](Sc2cc(Cl)ccc2Cl)C1 222244394 UFVOZQSKPSWFKB-SUNKGSAMSA-N 314.281 5.804 30 10 DKEE CC(C)(C)c1ccc(CNc2ccc(C#N)cc2Cl)s1 232509408 MVTHXUUUBWAIAE-UHFFFAOYSA-N 304.846 5.183 30 10 DKEE CCCCCCCCC[C@H](O)c1ccoc1Br 232939820 YUJHNKFVENPATH-ZDUSSCGKSA-N 303.240 5.216 30 10 DKEE C[C@@H](Nc1ccc(C#N)cc1F)c1cc(Cl)sc1Cl 235240451 ONYXRARXJWIYGH-SSDOTTSWSA-N 315.200 5.239 30 10 DKEE Cc1noc(/C=C\c2ccccc2)c1N=C/C=C\c1ccccc1 254615185 YNQDRYLGPJQGDJ-LLFKHEPZSA-N 314.388 5.569 30 10 DKEE CCCC1CCC(C=O)(CCCOCc2ccccc2)CC1 316919715 WTTIGKZVTVCINX-UHFFFAOYSA-N 302.458 5.159 30 10 DKEE CCCCCCCC[C@@H](NCC)c1coc(Br)c1 386241309 RENAVHQMEUWCTQ-CQSZACIVSA-N 316.283 5.443 30 10 DKEE C=CCCC[C@H](C)N[C@H](CC)c1ccc(Cl)c(Cl)c1 398150065 DEEBMYXCHSWWBM-BLLLJJGKSA-N 300.273 5.779 30 10 DKEE CCN(C(=O)OC(C)(C)C)C1(C#N)CCC(C(C)(C)CC)CC1 698970496 VCNCFTBBOPQUOF-UHFFFAOYSA-N 322.493 5.132 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1ccc(Cl)c(Cl)c1 704492070 MIUBVKRXECIEJN-QGZVFWFLSA-N 316.316 6.308 30 10 DKEE C=C(C)c1cncc(-c2ccc(OC(F)(F)F)cc2)c1Cl 1615892220 LIKBKMPEQDYOQQ-UHFFFAOYSA-N 313.706 5.334 30 10 DKEE CCCC[C@H](C)N(C(=O)c1cccc(C#N)c1)c1ccccc1C 1859999082 YEKYHKZTOMGPLX-KRWDZBQOSA-N 320.436 5.092 30 10 DKEE CC(C)[C@@H](C)[C@@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 1901678780 RDUUOQPMFFDQRT-DNVCBOLYSA-N 322.493 5.131 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@H](CN)C(C)C 1915292158 WIJGELLORMWITE-OAQYLSRUSA-N 318.549 5.223 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)[C@@H]1CCC[C@H](C)C1 1917860918 NVFPDUWVYLGYCO-QKLQHJQFSA-N 301.540 5.753 30 10 DKEE C=CCC[C@H](C)Nc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1 1925132062 UHWIVUXKMSCKEU-LSDHHAIUSA-N 318.461 5.039 30 10 DKEE C=CCCCCCCCCC[C@H](O)CCNCc1ccccc1 1995325648 NDCKJHRKHCILPZ-NRFANRHFSA-N 317.517 5.224 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Br)co1 2003087815 FRVNLGDBOLRPBO-CYBMUJFWSA-N 302.256 5.053 30 10 DKEE C#CC(C)(C)C[C@H](NCCC)c1cc(Cl)c(Cl)s1 2048685072 VBPOVAGPPJGEFM-NSHDSACASA-N 304.286 5.145 30 10 DKEE CCCCCCCCCCn1c(Cl)nc(Cl)c1C=O 2118822012 CLVLWLAXZDFUAU-UHFFFAOYSA-N 305.249 5.143 30 10 DKEE CCCCCCCCCC[C@@H](CCCCSC)NCC 2172972609 AVWAFAVVTDWOHZ-SFHVURJKSA-N 301.584 6.029 30 10 DKEE C=CCCCCCCC(=O)[C@H](O)c1cc2cscc2s1 2206899856 NRTNFHGTVSQSRI-INIZCTEOSA-N 308.468 5.092 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1cc(Cl)sc1C 2207441836 LLOGDYRTFPTOGK-INIZCTEOSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1cc(Cl)cs1 2207450505 UZSPAFBXPBZMLD-INIZCTEOSA-N 313.938 6.359 30 10 DKEE CCCCCCCC[C@@H](NC)c1nc(C(C)(F)F)cs1 2234822616 GNILKCYCPSNSLJ-GFCCVEGCSA-N 304.450 5.266 30 10 DKEE C=CC1(C[C@@H](N)c2ccc(Cl)c(C(F)(F)F)c2)CCC1 2236304497 BUCXJJZVKYVIHO-CYBMUJFWSA-N 303.755 5.105 30 10 DKEE C=CCC[C@@H](NCCC)c1scc(Br)c1Cl 2242658842 DSJVQJBKFDPZQP-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1sc(Cl)nc1Cl 2278180163 HWZYKSLLCIROHU-CQSZACIVSA-N 323.333 5.765 30 10 DKEE CN(CCCCCCCS)Cc1cc2ccccc2s1 2294770030 GARZVVNKVPVMHO-UHFFFAOYSA-N 307.528 5.213 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@H](N)c1ccsc1Cl 2295677754 DNUPAOLGJKDTFD-ZBFHGGJFSA-N 317.926 5.293 30 10 DKEE CCCC[C@@](C)(C#N)[C@H](O)c1ccc(Cl)c(Cl)c1C 2340460430 QVRJEAJHSFVQQA-CABCVRRESA-N 300.229 5.055 30 10 DKEE Cc1cc(C)c([C@@H]2Nc3c(C#N)cccc3[C@@H]3C=CC[C@H]32)c(C)c1 20691146 GXXJBJRRCBHLIQ-LRXVAGHRSA-N 314.432 5.310 30 10 DKEE N#Cc1ccccc1N[C@@H](Cc1cccs1)c1cccs1 37203116 XAOYLMANMAJJJM-INIZCTEOSA-N 310.447 5.077 30 10 DKEE CCCCCCCC[C@@H](NCC)c1c(F)cc(F)cc1F 115856634 AXEOUUCWLZLDFL-MRXNPFEDSA-N 301.396 5.505 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H](CCC)OCC 122505829 VXCVLMFTUMHQBG-MOPGFXCFSA-N 300.527 5.864 30 10 DKEE CCCCCCCCCCCC[C@@H](Cc1cccs1)NN 125969041 KRNRHBGDBDQTLN-KRWDZBQOSA-N 310.551 5.434 30 10 DKEE Cc1cc(Cl)c(Nc2ccc(C#N)cc2Cl)cc1Cl 128266648 XOUOUGCJGJEHMC-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCCCC(=O)[C@H]1CCCC[C@H]1C(F)(F)F 135408569 IXHGNAHZNMRONK-LSDHHAIUSA-N 306.412 6.065 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1CSc2ccccc21 135628766 PXVXUDDZFZOOES-QGZVFWFLSA-N 304.499 5.976 30 10 DKEE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccc(C#N)cc1Cl 162974141 GSHCPCFIPMJHOQ-RPVQJOFSSA-N 305.849 5.189 30 10 DKEE N#Cc1cc(Nc2cc(Cl)ccc2F)ccc1C(F)(F)F 164411754 ALMLRTRMMAXNQS-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccc(Br)s1 168690581 OEPYKSPETQFKCS-LBPRGKRZSA-N 319.308 5.165 30 10 DKEE N#Cc1ccc(Nc2cccc3ccccc23)cc1Br 228173427 ILDLMGVPCGUYBM-UHFFFAOYSA-N 323.193 5.218 30 10 DKEE CCCCCCCC[C@H](NN)c1ccc(Cl)c(C)c1F 312636343 WQECYYMXHXKNDN-HNNXBMFYSA-N 300.849 5.043 30 10 DKEE C=CCCCCCCN[C@H](C)c1ccc(Cl)c(Cl)c1 388500568 JKGUEGKZEOTMOQ-CYBMUJFWSA-N 300.273 5.781 30 10 DKEE CCCCCCCCCC[C@H](NC)[C@@H](C)OCc1ccccc1 404548549 OBYSGEXPHYAFDS-CTNGQTDRSA-N 319.533 5.711 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccsc1Br 698662275 MTTYJVSLRLFZDP-CYBMUJFWSA-N 316.308 5.298 30 10 DKEE N#Cc1ccc(Sc2ccc(Cl)cc2Br)cc1 725424121 XMTMVXWSRSURQZ-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE C=C[C@@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)C1CCC1 1892935021 UMANMHDXFHYHQK-NOZJJQNGSA-N 302.220 5.138 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccc(Cl)cc2)o1)[Si](C)(C)C 1922989112 NJPKCGKRQIENDU-INIZCTEOSA-N 306.865 5.067 30 10 DKEE CC(C)N(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 1935518853 CASXQTAUPAUNDS-HSALFYBXSA-N 312.501 5.252 30 10 DKEE C=C(C)CN(Cc1ccccc1)C[C@@H]1C[C@@H]1C1CCCCCC1 1993110141 XEFIXXNZMISNPP-FCHUYYIVSA-N 311.513 5.671 30 10 DKEE CC(C)=CC(=O)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993582232 GOLRWHNRJNHKMV-UHFFFAOYSA-N 317.429 5.306 30 10 DKEE C=CCCCCCC(=O)c1cccc(Cl)c1Br 2000211250 JKAQFFHAWJTKFZ-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE C=C1CCC(CC(=O)c2sc(Br)cc2C)CC1 2000232934 GYZSRRRSHDKSFM-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1ccsc1Br 2005581788 BJURLICCIGIUBP-CQSZACIVSA-N 312.276 5.163 30 10 DKEE CCCCCCC[C@H](N)c1c(F)cc(C)cc1Br 2053174911 DJNYJQRGMWINRN-AWEZNQCLSA-N 316.258 5.257 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Br)cc1C)C(C)(C)C 2096620746 IORLFJKEGHFGGI-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1cccc(SC(F)(F)F)c1 2107913197 GRWVSKQZSVEJRZ-GFCCVEGCSA-N 309.784 5.092 30 10 DKEE C#CCCN(Cc1c(Cl)cccc1Cl)C1CCCCC1 2145627055 YENIBDLZYGNCFA-UHFFFAOYSA-N 310.268 5.151 30 10 DKEE CCCCCCCCCC[C@@](C)(O)C(F)(F)C(F)(F)F 2155643270 KWRXXYGOADBVOM-GFCCVEGCSA-N 304.343 5.466 30 10 DKEE CCCCCCCCC[C@@H](NC)c1csc(C(F)F)c1 2164297494 PGDMPECHKYWQPR-CQSZACIVSA-N 303.462 6.087 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(-c2ccccc2)s1 2206185559 AQJLPIQFJUEEFS-OAHLLOKOSA-N 305.874 5.598 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(Cl)cc(F)c1F 2206899675 MNYCYGXFKACJRG-OAHLLOKOSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)c(Cl)s1 2220093481 RAEMGEQRZDUVAC-LBPRGKRZSA-N 306.302 5.971 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cccc(Cl)c1Cl 2227284701 IKTXDEHFMKINAB-OAHLLOKOSA-N 300.273 5.910 30 10 DKEE CC#CCCCC[C@H](Cc1cccc(Cl)c1Cl)NCC 2235757423 LNNCRDJMMMKXEE-OAHLLOKOSA-N 312.284 5.098 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cocc1Br 2258121138 LCXWCULQQAWIGC-OAHLLOKOSA-N 316.283 5.573 30 10 DKEE C=CCCSC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2271582128 NIZRUOGLFRZPDC-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE CCCCCCCCC[C@H](OCCN)c1ccc(Cl)o1 2293464325 UKTPPVKLYDSDJC-AWEZNQCLSA-N 301.858 5.090 30 10 DKEE CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccco1 2295036049 CUQJGIAIADUUCV-UHFFFAOYSA-N 303.576 5.076 30 10 DKEE O=C(C=Cc1ccsc1)c1ccc(C#Cc2ccccc2)cc1 2295148251 QIACAZDISIBVTJ-UHFFFAOYSA-N 314.409 5.044 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@@H](C)c1cc(Cl)sc1Cl 2315437342 WIPSRLACMNNQTC-JBLDHEPKSA-N 304.286 5.450 30 10 DKEE CC(C)c1nc2ccc(Cl)cn2c1N=Nc1cccc(C#N)c1 2320771745 RZHWHVCVVCZIQV-UHFFFAOYSA-N 323.787 5.398 30 10 DKEE N#C[C@@H](c1c(Cl)ccc(Cl)c1Cl)N1CCCCCC1 2339173043 VLEFYQVJSSVFCF-LBPRGKRZSA-N 317.647 5.087 30 10 DKEE O=CC1(CCCc2cc(Cl)cc(Cl)c2)CCSCC1 2341151606 FHJQPMOFKWYRSY-UHFFFAOYSA-N 317.281 5.028 30 10 DKEE CCCN[C@@H](C#C[C@@H]1CC1(C)C)c1ccc(Cl)cc1Cl 2365093314 LYMXRRBHWIVAMD-WBMJQRKESA-N 310.268 5.084 30 10 DKEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2370485474 FJUZYMXIWFMRLD-LRDDRELGSA-N 314.300 5.425 30 10 DKEE O=C1/C(=C\c2ccc(Cl)c(Cl)c2)Sc2ccccc21 33285514 YGKYYEMKVOMDJF-RIYZIHGNSA-N 307.201 5.323 30 10 DKEE N#Cc1cc(Oc2ccc(Cl)c(Cl)c2)nc2ccccc12 68796661 UDQOZDFNKTWOTO-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H]1CCCc2sccc21 143423456 YZQHVQGRARJEMM-SJLPKXTDSA-N 307.547 6.026 30 10 DKEE C=CCCCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 233124730 ZEBPQLNCNMBICZ-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE CCCCCCCCCCS[C@H]1CCCCCCC1=NO 254491209 PDFALPKBAKEPHY-SFHVURJKSA-N 313.551 6.413 30 10 DKEE Cc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1C 254817254 ZVJAFLAEIGUKIK-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(F)c1)c1cccc(Cl)c1Cl 308056552 UVFWVPNTOHQXJU-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCCCSc1nc(C(=O)O)cs1 379117198 UXCSXBSMDNKMLG-UHFFFAOYSA-N 301.477 5.074 30 10 DKEE N#C[C@H](CNc1c(Cl)cc(Cl)cc1Cl)C1CCCC1 397374609 SYSZMWZSPIQYMX-SNVBAGLBSA-N 317.647 5.389 30 10 DKEE C[C@H](CC1CCCCC1)Nc1ccc(C#N)c(Br)c1 689808987 OWWDMPBNDAZTKS-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCOc1cc(F)c(Cl)cc1N 690952732 GHORIDJWSYCXRD-UHFFFAOYSA-N 301.833 5.581 30 10 DKEE N#CCc1cc2scc(C(F)F)c2cc1SC(F)(F)F 725297661 UFWYZMWAKXMUGQ-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2ccc(SC)s2)CC1 1921085954 JRCGBDBHRZYVGK-NRAUKZCXSA-N 309.500 5.004 30 10 DKEE C=C(COCc1ccccc1)[C@@H](NCCC)C1CCCCCC1 1922112224 SEDNSFCIOVGWCW-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE SC[C@@H](CN(Cc1ccccc1)CC1CCCC1)C1CCC1 1931881428 HKDTWKBHXJTZPU-HXUWFJFHSA-N 317.542 5.025 30 10 DKEE C=CCC[C@H](C)N[C@H]1CCC(C)(C)C[C@H]1OCc1ccccc1 1979634490 DZZVADWSDWQXFD-YSIASYRMSA-N 315.501 5.095 30 10 DKEE C=CCCCC[C@H](NC)c1ccccc1NC(=O)OC(C)(C)C 1984514501 BXMCSYJTQFANNE-INIZCTEOSA-N 318.461 5.041 30 10 DKEE C=CCCCCCC[C@H](N)c1cccc(OCc2ccccc2)c1 2026017541 PIMVTUBXGDAMRG-QFIPXVFZSA-N 323.480 5.792 30 10 DKEE CCCCCCCCCCCNC(=O)OCc1ccccc1 2059918406 ADPZAVUFVHXOJR-UHFFFAOYSA-N 305.462 5.444 30 10 DKEE CC1(C)CC[C@@H]([C@@H](C#N)c2ccc(F)cc2Br)C1 2065479567 JJEJIMROYRMWHO-ZWNOBZJWSA-N 310.210 5.022 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)s1 2098756077 HPKIVMQTRPDYQV-CYBMUJFWSA-N 323.329 6.619 30 10 DKEE C=CCSc1ccccc1NCc1cc(C)c(Cl)s1 2109138282 MIGBVFZUXUKJNW-UHFFFAOYSA-N 309.887 5.600 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cc(C)cc(Br)c2)C1 2125736686 XQWYXLQXCFRSKN-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE C=CC1(CN[C@@H](c2cccs2)c2ccc(Cl)s2)CCC1 2168007671 NITLAQYVTFJOQA-HNNXBMFYSA-N 323.914 5.498 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(OC)c(Cl)c1Cl 2203425095 CENGQQVKAPOWKO-CYBMUJFWSA-N 318.288 5.752 30 10 DKEE N#C[C@@H](C(=O)c1ccccc1Cl)c1cccc(Cl)c1Cl 2232424684 VOZGXRBXTLBYKY-LLVKDONJSA-N 324.594 5.137 30 10 DKEE C=CCCCCOC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2234040712 HOEVWRIIBBDQET-MRXNPFEDSA-N 316.272 5.017 30 10 DKEE CC1(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)CCCCC1 2235758472 SLCJTSXSOBPPSZ-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE O=C(CCCC(F)(F)C(F)(F)F)c1cscc1C(F)F 2240412826 BEMHETFNCODDSR-UHFFFAOYSA-N 322.245 5.236 30 10 DKEE C[C@@H](N(Cc1ccccc1)c1c(F)cccc1C#N)C(C)(C)C 2243028693 XMXLDHHZZVHAHX-OAHLLOKOSA-N 310.416 5.139 30 10 DKEE CCC(CC)(CS)CSCC1CC(C(F)(F)F)C1 2259119745 COVPATROZWNBKZ-UHFFFAOYSA-N 300.455 5.044 30 10 DKEE Clc1cc(Cl)c(NCC#CC2CCCC2)cc1Cl 2261107657 VALZBALAIIHNIW-UHFFFAOYSA-N 302.632 5.252 30 10 DKEE N#Cc1ccc(SC[C@@H]2CCCCC2(F)F)cc1Cl 2267997139 SIJROKNVVLBJQI-NSHDSACASA-N 301.789 5.129 30 10 DKEE CC(C)C(C)(CNc1ccc(C#N)c(Br)c1)C(C)C 2268553514 DKRSIJOGESPSRW-UHFFFAOYSA-N 323.278 5.051 30 10 DKEE O=C1C(=Cc2ccc(C(F)(F)F)cc2)CC[C@@H]2CCCC[C@@H]12 2297452564 BXTGKOZOKNKUSL-XJKSGUPXSA-N 308.343 5.258 30 10 DKEE C=CCOc1cccc(C=CC(=O)c2ccc3c(c2)CCCC3)c1 2323054958 TWMKOXMQVDGQFZ-UHFFFAOYSA-N 318.416 5.026 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(OC)c(Cl)s1 2340274688 KMWDUEBLOZULSD-GFCCVEGCSA-N 304.883 5.584 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2340803901 ATRDONUSOROISN-ZUZCIYMTSA-N 304.236 5.385 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2340809729 YQKDSUUGLUHXLU-OAHLLOKOSA-N 302.220 5.161 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSc1nc2ccccc2s1 2352324411 OVCAYZXEFQRJQT-HNNXBMFYSA-N 311.541 5.371 30 10 DKEE C#Cc1ccccc1N[C@@H](CC)c1ccc(Cl)c(Cl)c1 2365451476 SPYBOBAYPFSJGQ-INIZCTEOSA-N 304.220 5.538 30 10 DKEE CC(C)(C)c1ccc(Oc2ccc(C#N)cc2)c(C(C)(C)C)c1 11864657 ATPPOOAPVWWNQY-UHFFFAOYSA-N 307.437 5.946 30 10 DKEE Cc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1Cl 59104880 WGWHNMYHJJZYGT-KGENOOAVSA-N 312.844 5.389 30 10 DKEE CCCCCC[C@@](C)(C#N)Nc1cccc(Br)c1 110028815 HMBCECPNXMKSSL-HNNXBMFYSA-N 309.251 5.114 30 10 DKEE CCCCCCCCCNc1cccc(OC(F)(F)F)c1 110159298 ACRIWGLCIFTQLO-UHFFFAOYSA-N 303.368 5.748 30 10 DKEE Cc1cc(Br)c2oc(C#N)c(-c3ccccc3)c2c1 110162098 PZYCQHMIIAMFKW-UHFFFAOYSA-N 312.166 5.042 30 10 DKEE CCCCCCCCCSc1cccc([C@H](C)NCC)c1 114926015 QYEYWDGUJNUBFE-KRWDZBQOSA-N 307.547 6.200 30 10 DKEE CCCCCCCCCC[C@@H](CSC1CCCC1)NCC 115646736 AXYIHOYKUIZULR-SFHVURJKSA-N 313.595 6.171 30 10 DKEE CCSc1cccc(Oc2ccc(Cl)c(Cl)c2)c1C#N 136713517 WLRJFUYOKQAGEK-UHFFFAOYSA-N 324.232 5.769 30 10 DKEE CCCCCCC[C@H](NCC)c1cc2cc(F)ccc2s1 139665915 HCIQOSBNUDHQFS-INIZCTEOSA-N 307.478 6.052 30 10 DKEE CCCCCCCCCC[C@H](NC)c1cc2c(s1)CCC2 162275539 QOSRMHNACPSZCJ-KRWDZBQOSA-N 307.547 6.028 30 10 DKEE CC(C)(C)c1ccc([C@H](C#N)Nc2ccccc2Cl)s1 166125094 UHYTUMGRXJAAJN-ZDUSSCGKSA-N 304.846 5.376 30 10 DKEE CCCCCCCC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F 168329813 OLEHUUQTVUJLAV-SECBINFHSA-N 310.306 5.166 30 10 DKEE N#Cc1cc(Cl)cc(/N=N/c2cc(Cl)cc(C#N)c2)c1 215771247 KBTLVTGSDLSIFS-FMQUCBEESA-N 301.136 5.152 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(Br)o1 228794133 ZQQMZWDYKSFCRW-LBPRGKRZSA-N 302.256 5.053 30 10 DKEE N#C[C@@H]1CCCCC[C@H]1Nc1cc(Cl)c(F)c(Cl)c1 232035630 XGLYBHDBDIGGTI-TVQRCGJNSA-N 301.192 5.017 30 10 DKEE CCCCCCC[C@H](N)c1ccc(OCc2ccccc2)cc1 381889637 CZNGPROCHXWVGU-NRFANRHFSA-N 311.469 5.626 30 10 DKEE CC(C)C[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1 698385241 YMCMJZMRDZNVLX-NVXWUHKLSA-N 322.493 5.131 30 10 DKEE CCCCCCC[C@H](C)NCCc1ccc(Cl)c(Cl)c1 716333018 BNODKWNNOPMCSY-AWEZNQCLSA-N 316.316 5.875 30 10 DKEE Cc1cccc(C=Nc2ccccc2N=Cc2cccc(C)c2)c1 1084039963 JTZJJEVECPFRIQ-UHFFFAOYSA-N 312.416 5.805 30 10 DKEE C/C(=C\c1ccccc1Cl)C(=O)/C=C\c1ccccc1Cl 1088725861 HNYMWNNZRYCUHK-JPYSRSMKSA-N 317.215 5.679 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@@H](C)CCCCN[C@@H](C)CC 1901762178 KREFWXBKWBFRIW-PMACEKPBSA-N 316.533 5.012 30 10 DKEE CCCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1F 1919543074 WOBMBRXHPOVUKK-HNNXBMFYSA-N 307.236 5.701 30 10 DKEE CCN1C(=CC=Nc2ccccc2C(C)=O)Sc2ccccc21 1933258779 BIWNYVZZEPYCAD-UHFFFAOYSA-N 322.433 5.065 30 10 DKEE CCCCCCC[C@H](C)NCc1cscc1Br 1948478775 OLPUDWMJTFWXTQ-LBPRGKRZSA-N 318.324 5.349 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1cccc(OCc2ccccc2)c1 1975928036 OQIWAVLQWBNZOR-UWJYYQICSA-N 309.453 5.128 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1985234586 HWYJWIBQPDUOCH-MRXNPFEDSA-N 306.405 5.195 30 10 DKEE CCCCCCCCCC(=O)c1ccn(Cc2ccccc2)n1 1992807889 FUHIJSJUVVOOBY-UHFFFAOYSA-N 312.457 5.255 30 10 DKEE C=CCCCC[C@@H](NCC)c1sc(Br)cc1C 2009481935 NBRPWWXPOHJPOA-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE N[C@H](CC#CC1CCCCC1)c1scc(Cl)c1Cl 2035089532 JKEKAMCBIAEBHI-GFCCVEGCSA-N 302.270 5.029 30 10 DKEE C=C(C(=O)c1c(C)sc(C)c1Br)c1ccccc1 2076581850 DCEKLGUCYDYNSL-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE C=CCCC[C@@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2081457838 ULTDZGYHWLFJRY-CQSZACIVSA-N 306.664 5.654 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(C(F)(F)F)c(Cl)c1 2146765774 PLFFGTXROUCVJE-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CN(CCCCCCCCCS)CC1CCC(F)CC1 2152356290 AHSGNTRAYRYHDZ-UHFFFAOYSA-N 303.531 5.107 30 10 DKEE C#CCCCCOc1c(Cl)cc(Cl)c2ccc(C)nc12 2173459287 UQQCQQWAQYOYEW-UHFFFAOYSA-N 308.208 5.032 30 10 DKEE CCCCCCCOc1c([C@@H](C)NC)ccc(Cl)c1F 2176951248 SISYWRYKGGUVTI-GFCCVEGCSA-N 301.833 5.109 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccsc1C(F)(F)F 2179677205 JNPCDALLDIPSFE-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE C=CC1(CN[C@@H]2CCCc3sc(Cl)cc32)CCCCC1 2189518786 RUGRCGGTMYGVFE-CQSZACIVSA-N 309.906 5.505 30 10 DKEE Cc1cc(F)c(Cl)cc1Nc1cc(Cl)c(C#N)cc1F 2206406769 DTOKIEOFGXHTDE-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc2sccc2s1 2207404145 MMTMZZMYAQQHQD-CQSZACIVSA-N 307.528 6.269 30 10 DKEE C=CCCCCCCCCC[C@]1(N)CCCC2(CC1)OCCO2 2207433371 YWKXENDYALSVSU-IBGZPJMESA-N 323.521 5.088 30 10 DKEE C#C[C@@H](CC(C)C)N[C@@H](c1cccs1)c1ccc(Cl)s1 2234702980 OGEGJHKFUDTSMW-LRDDRELGSA-N 323.914 5.190 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(C(F)(F)F)cs1 2235520623 BAUAOKAFALXHNM-CYBMUJFWSA-N 305.409 5.683 30 10 DKEE C=CCCCC[C@H](N)c1c(C)cccc1NC(=O)OC(C)(C)C 2243546255 QMOORPALIXOEDQ-HNNXBMFYSA-N 318.461 5.088 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2285206345 WFKSXNHULQXPKX-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE O=C(C=Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 2293038910 HCVKOZUQCMRSOT-UHFFFAOYSA-N 310.299 5.121 30 10 DKEE CCOc1ccccc1C=CC(=O)c1cc(C(C)(C)C)ccc1C 2322952882 XLHKUPHDOSRCPW-UHFFFAOYSA-N 322.448 5.587 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(OC)c(OC)cc1Cl 59451471 AJAGMIKTOXTWED-CYBMUJFWSA-N 313.869 5.518 30 10 DKEE CCCOc1ccc(C(=O)/C=C/c2cccc(OCCC)c2)cc1 83204687 JUCHDPWIMWNMDR-MDWZMJQESA-N 324.420 5.160 30 10 DKEE CCCC(C#N)(CCC)Sc1cccc(Br)c1 90247890 BIXRQTIJBNKOKO-UHFFFAOYSA-N 312.276 5.404 30 10 DKEE CCCCCCCCOc1ccc([C@@H](C)NCC2CC2)cc1 100047082 FRYCDVOUAWWMOL-QGZVFWFLSA-N 303.490 5.487 30 10 DKEE CCCCCCCC[C@H](N)Cc1ccccc1Br 103944899 DFVBBUCIXXGORA-HNNXBMFYSA-N 312.295 5.070 30 10 DKEE C[C@@H](c1cccc(Cl)c1)N(C)c1cccc(Cl)c1C#N 110258530 AMXJMJXRSGAJBP-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCCC[C@H](O)c1sccc1Br 128484768 UCGXUGHSCIKKOC-ZDUSSCGKSA-N 319.308 5.685 30 10 DKEE C/C(C=Nc1ccc(OC(F)(F)F)cc1)=C/c1ccccc1 252511803 KQXRUPBQVGIXBR-AJFIOWGASA-N 305.299 5.391 30 10 DKEE CCCCCCCCCCCC(=NO)c1cc(C)ccc1O 254308927 OOXQDZTUGOJLHK-UHFFFAOYSA-N 305.462 5.800 30 10 DKEE CCCCCCCC[C@@H](NN)c1ccc(Cl)c(C)c1F 312636344 WQECYYMXHXKNDN-OAHLLOKOSA-N 300.849 5.043 30 10 DKEE N#C[C@H](CSc1cc(Cl)cc(Cl)c1)C1CCCCC1 397125092 LOMALINCPKNWQM-GFCCVEGCSA-N 314.281 5.806 30 10 DKEE CC(C)(C)C1=CC(=CC=C2C=CC(=O)C=C2)C=C(C(C)(C)C)O1 585660579 DYQLXFAWKVADLY-UHFFFAOYSA-N 310.437 5.425 30 10 DKEE C[C@@](C#N)(CCc1cc(Cl)cc(Cl)c1)c1ccccc1 722125400 ZJVAWYRTGBXUGD-KRWDZBQOSA-N 304.220 5.407 30 10 DKEE CCON=C(C)c1cc(-c2ccccc2)c(C(F)(F)F)s1 1531872624 MACITGRNTOHYDU-UHFFFAOYSA-N 313.344 5.194 30 10 DKEE Clc1ccc(Cl)c(C#Cc2c(Cl)cccc2Cl)c1 1614827046 INUDUKXXMUFYTC-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE O=C(C=Cc1ccccc1OCc1ccccc1)c1ccccc1 1935502580 CBDLLBDTLMYFRZ-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Br)sc1C 1946684948 JPINSXFANGVRAC-QMTHXVAHSA-N 316.308 5.072 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](CC)c1cc(F)ccc1C 2070130271 FUYHUCDUKNZAJJ-OAQYLSRUSA-N 324.443 5.359 30 10 DKEE C=CCCCCCCNc1ccc(OC)c(Br)c1 2085850221 SUHJRFIBYMRZPI-UHFFFAOYSA-N 312.251 5.006 30 10 DKEE CC1(CCNc2cc(Br)ccc2C#N)CCCCC1 2094204707 JIEJVFGVANKUML-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE CCCCCCC[C@H](NCC)c1csc(C(F)(F)F)n1 2144134940 RCFWNZAKUGMZEO-NSHDSACASA-N 308.413 5.173 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1csc(C(F)(F)F)c1 2158324261 OMYIOSHFCDGZHP-RISCZKNCSA-N 305.409 5.410 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(SC(F)(F)F)c1 2164162975 XVXYVJWGPDLHLK-BXUZGUMPSA-N 303.393 5.161 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2196169265 AGHFBQQTFPDXCU-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE O=C(C1=CCC(F)(F)CC1)c1ccc(-c2cccs2)s1 2205866936 ROOXDXHHZYZEMF-UHFFFAOYSA-N 310.390 5.405 30 10 DKEE CCCCCC#CC[C@@H](O)c1ccc(-c2cccs2)s1 2205872687 PXPKPIJJCZCJIK-CQSZACIVSA-N 304.480 5.484 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1ccc(-c2cccs2)s1 2205873049 DXCSAKJPGWYSAS-GUYCJALGSA-N 305.512 5.730 30 10 DKEE CC1(CSC[C@H](CS)CC2CC2)CC(C(F)(F)F)C1 2271686952 ZAYBRGJNGVEMEJ-HIFPTAJRSA-N 312.466 5.044 30 10 DKEE CCCCCCCC[C@@H](C)NC1CCP(=O)(CC)CC1 2283689670 DQQSWRGROYMKNI-ZRZPHAQCSA-N 301.455 5.261 30 10 DKEE CCCCCCCCCCCC[C@@H](O)C1CC(SC)C1 2284141647 JCQKWZHSFDIAHI-DAWZGUTISA-N 300.552 5.800 30 10 DKEE C=CCCCCCCCCOCc1cc(Cl)nc(Cl)c1 2286775768 IEMQGDGHEVIWBE-UHFFFAOYSA-N 316.272 5.822 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(Cl)c(OC)cc1Cl 2287383753 GRCXLTLKTYADOU-OAHLLOKOSA-N 316.272 5.399 30 10 DKEE C=CCC[C@H](C)[C@@H](OCCCN)c1cc(Cl)ccc1Cl 2293141815 LUTNZTMZGQOLOQ-BLLLJJGKSA-N 316.272 5.002 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1sc(C)c(C)c1Br 2304122371 KOTATALGPANAJE-UONOGXRCSA-N 317.292 5.153 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Cl)c(C)c1Cl 2340155196 DOEGXUXYLMCXHK-LBPRGKRZSA-N 302.289 6.463 30 10 DKEE C=CCC(C)(C)[C@H](NCCC)c1cc(Br)ccc1C 2344357252 QIBHSNDRLWUHCB-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE C#CC(C)(C)C[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414762 LOWKAQFUMHKDCS-HNNXBMFYSA-N 312.284 5.392 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1csc(C(F)(F)F)c1 2370484996 BUEGMXXBBNQXIA-ZDUSSCGKSA-N 305.409 5.410 30 10 DKEE C=CCC(C)(C)[C@H](Cc1cccc(Cl)c1Cl)NCCC 2370485281 DNYZJNKGYNSGSA-HNNXBMFYSA-N 314.300 5.506 30 10 DKEE COc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)cc1 584420 NYSLEHQYVGGPOO-QGMBQPNBSA-N 314.599 5.406 30 10 DKEE CC[C@H](Nc1cc(Cl)ccc1C#N)c1cccc(Cl)c1 36954479 RFRAPYGEVJSEPF-HNNXBMFYSA-N 305.208 5.428 30 10 DKEE CC(C)(C)[C@H]1CCC[C@@H](Nc2ccc(Cl)c(C#N)c2)CC1 86955691 OKMCDPWFZORIGN-LSDHHAIUSA-N 304.865 5.619 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)C1 91884084 RYHQZJQESFSUND-HFBAOOFYSA-N 312.240 5.137 30 10 DKEE CCCC(CS)(CCC)CO[C@@H]1CCCc2ccccc21 94583793 DSNJIVUZSQKNEV-GOSISDBHSA-N 306.515 5.597 30 10 DKEE SCC1(COc2c(Cl)cccc2Cl)CCCCC1 94584819 RGBMAJMRKLHXDD-UHFFFAOYSA-N 305.270 5.253 30 10 DKEE CCCCCCCC[C@@H](NCC)c1ccc(Cl)cc1Cl 115857057 KQWCTKBSMNSKRN-QGZVFWFLSA-N 316.316 6.395 30 10 DKEE Fc1cc(OCC2(CS)CCCCCC2)ccc1Cl 147862365 RSJXQEJYJLFFMT-UHFFFAOYSA-N 302.842 5.128 30 10 DKEE CC(C)c1ccc([C@H](C#N)C(=O)c2sccc2Cl)cc1 159063807 GFWVHBHLPWTTBS-ZDUSSCGKSA-N 303.814 5.015 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccccc1SC 162355938 LCTXXVFIWNIQQR-SFHVURJKSA-N 307.547 6.200 30 10 DKEE N#Cc1cc(SCc2ccc(Cl)cc2)nc2ccccc12 165990877 RYERVVPFOLGKRU-UHFFFAOYSA-N 310.809 5.052 30 10 DKEE C=CCCC[C@@H](NC)c1ccc2cc(Br)ccc2c1 167753881 BJGFDAYMINXEGX-QGZVFWFLSA-N 318.258 5.219 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc2ccc(F)cc2s1 168181289 CZYSFMWCRDFJRY-MRXNPFEDSA-N 308.462 6.215 30 10 DKEE CCCCCC[C@@H](C)Oc1ccc(C#N)cc1Br 213231882 KVERGIWOUMCEDC-GFCCVEGCSA-N 310.235 5.058 30 10 DKEE N#Cc1ccc(Sc2ccccc2Cl)cc1Br 228252983 NHIFRYRHYYXJIO-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CC1(C(=O)[C@@H](C#N)c2ccc(Cl)cc2Cl)CCCCC1 232827869 BUONBLPTSPQTHN-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE C=C(C)CC(=O)C[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 405973292 HBEXPKFYUBTWLN-AWEZNQCLSA-N 317.429 5.063 30 10 DKEE N#Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F 514260799 GQKPLBGDJZTDCM-UHFFFAOYSA-N 315.216 5.263 30 10 DKEE C#CCCCCCC(=O)c1ccc(OCc2ccccc2)cc1 686709577 VSERTQGKKXUEJK-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE CCc1ccc(N=C2N[C@H](CC(C)(C)C)CS2)cc1Cl 691294654 TXHMASVOFVYKOZ-CYBMUJFWSA-N 310.894 5.031 30 10 DKEE CCCCCCC[C@H](N)c1ccc(Br)c(F)c1C 696104682 JZHAXOJDNPPBTO-AWEZNQCLSA-N 316.258 5.257 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C#N)CCC1CCCCC1 698409561 VDHQIWMVWUDXAT-NVXWUHKLSA-N 322.493 5.275 30 10 DKEE C=CC[C@@](C)(CC)[C@H](CCCOCc1ccccc1)NCCC 1903148985 HVANCMCXTCAZGR-LEWJYISDSA-N 317.517 5.344 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](CCCOCc1ccccc1)NCCC 1903148986 HVANCMCXTCAZGR-NHCUHLMSSA-N 317.517 5.344 30 10 DKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 1951300963 XPUCGDUSZRAVLO-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE C=CCCCC[C@@H](N)c1cccc(C)c1NC(=O)OC(C)(C)C 1984509649 CFLGEDJZYPSTLS-MRXNPFEDSA-N 318.461 5.088 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 1988323541 JZTQYYVBEMCHMU-UHFFFAOYSA-N 319.370 5.284 30 10 DKEE C=C(C)C[C@@H](N)c1cc(C(C)C)ccc1NC(=O)OC(C)(C)C 1993581345 WLWRYUMDCLPKKF-MRXNPFEDSA-N 318.461 5.123 30 10 DKEE C=C([C@@H](NCC)c1sc(Br)cc1C)C(C)(C)C 2000383758 ANPXCUJGACAZTG-GFCCVEGCSA-N 316.308 5.072 30 10 DKEE C=C[C@H](NCC)c1ccc(-c2cccc(Br)c2)s1 2045710474 SGRXAUOCUOXJLA-ZDUSSCGKSA-N 322.271 5.014 30 10 DKEE CCc1ccc(C(F)F)c(OC(F)(F)F)c1C(F)(F)F 2060350705 FMASZHLISROKIL-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE CN(CCCCCCCCCS)Cc1ccc(Cl)o1 2114685898 FVGIKKSBXPSBIJ-UHFFFAOYSA-N 303.899 5.025 30 10 DKEE C[C@@H]1CCC[C@@](C#N)(Cc2csc(-c3cccs3)n2)C1 2144696004 ZIVGUZXEPCFTPQ-WBMJQRKESA-N 302.468 5.134 30 10 DKEE CCCCCCCCCC[C@@]1(O)CC[C@H](P(C)(C)=O)C1 2160808136 VRCAYRJVTNCXFJ-DLBZAZTESA-N 302.439 5.424 30 10 DKEE CCCC[C@](C)(C#N)[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 2164475557 PGVGYPQHWZGWIW-HZPDHXFCSA-N 314.256 5.311 30 10 DKEE C=CC1(C[C@H](NCC)c2cc3sc(C)cc3s2)CCC1 2168016736 JBZKOEYJNMNCJL-ZDUSSCGKSA-N 305.512 5.668 30 10 DKEE CCCN[C@H](CC#C[Si](C)(C)C)c1cc2sccc2s1 2187467625 FUCRCNXJLYCNQE-CYBMUJFWSA-N 321.587 5.274 30 10 DKEE CCCCCCCCC[C@@H](NC)c1csc(C(F)F)n1 2188749977 AZNOSMAWOSMSOK-GFCCVEGCSA-N 304.450 5.482 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1Cl 2207451575 WAKSAOSESKJJGE-CVEARBPZSA-N 318.288 5.105 30 10 DKEE C=CCN(Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@H](C1)C2(F)F 2210344869 RMUVCJNIZBADRV-REPLKXPHSA-N 319.439 5.136 30 10 DKEE C=CCCCCCCC[C@@H](CCCOCc1ccccc1)NC 2211142804 GMEOELBWSFALAO-NRFANRHFSA-N 317.517 5.488 30 10 DKEE CCCCCCCC[C@@](C)(CN)N(CCC)Cc1ccccc1 2212636780 AWAKANLLDOSDBW-NRFANRHFSA-N 318.549 5.367 30 10 DKEE C[C@H](Nc1ccc(F)cc1C#N)c1cc(Cl)cc(Cl)c1 2237997426 MVIWYMJGJQVJTD-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(C)CCCCCc1c(F)ccc(Br)c1F 2250184274 YPZWADKLAJVJFO-UHFFFAOYSA-N 303.190 5.406 30 10 DKEE C=C(C)CCCC[C@H](NCCC)[C@@H]1SCCS[C@@H]1CC 2287471491 BNJHGEZURKNWPL-BBWFWOEESA-N 315.592 5.118 30 10 DKEE CCCCCCCC[C@H](OCCCN)c1ccc(Cl)s1 2293256368 DCIMABBJPQALQP-AWEZNQCLSA-N 317.926 5.559 30 10 DKEE C=CCCCCC[C@H](OCCCN)c1cc(Cl)sc1C 2294043796 DDNGYIGGELGUSM-HNNXBMFYSA-N 315.910 5.253 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(Cl)cc2)c2ccccc12 2295967941 NDWDTZONGXNNFX-UHFFFAOYSA-N 306.792 5.698 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(Cl)c(Cl)c1C 2339007203 LQYGCNLAEDTFGE-HNNXBMFYSA-N 302.289 5.923 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(Cl)c(Cl)c1C 2339015037 WYNODNCEMNXCFT-HNNXBMFYSA-N 300.273 5.699 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1NC(c1cccs1)c1cccs1 2362220815 QBIYNIKVXDYYOF-KGLIPLIRSA-N 303.496 5.233 30 10 DKEE C=CC[C@H](C)Sc1cc(Cl)c(F)cc1CN[C@@H](C)CC 2362430726 CMWKINQGTUHCTD-RYUDHWBXSA-N 315.885 5.424 30 10 DKEE C=C[C@@H](C)C[C@@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2366841932 JLLYWHPYTLYZLL-CXAGYDPISA-N 314.300 5.506 30 10 DKEE C=CC[C@](C)(CC)[C@H](Cc1cccc(Cl)c1Cl)NCC 2370520850 DWGCZZPFHLKZFG-RDJZCZTQSA-N 314.300 5.506 30 10 DKEE C=C(C)COc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 8570620 AUHGNYSOBVBBGV-UHFFFAOYSA-N 317.388 5.047 30 10 DKEE CC(C)(C)CC(C)(C)c1ccc(OCC#N)c(Br)c1 11834463 SHYXONMLZCNKAV-UHFFFAOYSA-N 324.262 5.065 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cccc(Cl)c1Cl 37935959 VESIWTOQVSPQEM-CYBMUJFWSA-N 311.599 5.324 30 10 DKEE Cc1ccccc1OCC[C@@H](C#N)c1cccc2ccccc12 57686227 AOICQBXMBHIVRD-SFHVURJKSA-N 301.389 5.225 30 10 DKEE Cc1ccc([C@@H](C#N)C(=O)c2c(Cl)cccc2Cl)cc1C 61681851 AUWUFVRWCRBWCO-CYBMUJFWSA-N 318.203 5.100 30 10 DKEE CCCCCCCCCCCCCC(=O)N(C)C1CCCCC1 100441903 YSWMVLKXVJNXNP-UHFFFAOYSA-N 323.565 6.479 30 10 DKEE CCCCCCCCCn1c(C(C)C)nc2c(N)cccc21 104325228 JPDSIMVTNFORKU-UHFFFAOYSA-N 301.478 5.493 30 10 DKEE C=CCC[C@H](C)Nc1c(Cl)cc(Br)cc1Cl 131939153 MVFNOAZRFHSAPY-QMMMGPOBSA-N 323.061 5.523 30 10 DKEE CCCCCCCCNc1nc(C(C)(C)C)nc(Cl)c1C 147276113 MRNZTBBGXTVVBI-UHFFFAOYSA-N 311.901 5.508 30 10 DKEE C=CCCCCC[C@H](NCCC)c1ccc(Br)cc1 233124690 IRGKFEHXSUGYLK-KRWDZBQOSA-N 324.306 5.626 30 10 DKEE C=CCCCCC[C@H](NC)c1cc(C)ccc1Br 234435403 ZNHNHUVDSNGNGF-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1 406750019 IIVGNAKNAZQTQN-QGZVFWFLSA-N 320.477 5.394 30 10 DKEE CCC1([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCCC2)CC1 687559808 IAHUXCPBDIOOMW-INIZCTEOSA-N 320.477 5.029 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@H](C#N)C1(C)CCCCC1 698875985 SIPUNERBTXIUMV-MRXNPFEDSA-N 320.477 5.029 30 10 DKEE Clc1ccc(/C(=N/OCc2cccc(Cl)c2)C2CC2)cc1 821229004 FHHJYCZIYCUONQ-LVZFUZTISA-N 320.219 5.324 30 10 DKEE CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 1868191822 AXCTWNMDBWFNPQ-RTBURBONSA-N 319.464 5.186 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)C1CCCCC1 1938421554 QSCIXDJSKPVGMU-MRXNPFEDSA-N 322.493 5.132 30 10 DKEE N#Cc1ccc(CN(Cc2ccccc2)CC2CCCCC2)cc1 1946752368 JDRLAJSYDPFIJE-UHFFFAOYSA-N 318.464 5.141 30 10 DKEE CCCCCC#CCNc1ccc(Br)c(Cl)c1 2024348380 AYKNUWMRTIFSRR-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE CC[C@H]1CC[C@](C#N)(Cc2cccc(C)c2Br)C1 2027611703 UEJSNGKJKGVVLT-XJKSGUPXSA-N 306.247 5.020 30 10 DKEE CCc1cc(C(F)F)c(C(F)(F)F)cc1OC(F)(F)F 2060359533 MWYPIPKLIHOFBY-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C=CCCCCCC[C@H](NCC)c1occc1Br 2085851277 FJGXOEINJJMZED-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=CCCC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2116485627 FQFYGBNTWCCEJO-OAHLLOKOSA-N 300.273 5.260 30 10 DKEE CCCCC#CCOc1ccc2cc(Br)ccc2c1 2139054388 YHKAPCZCHCCNRR-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE CC#CCCCCOc1ccc2ccc(Br)cc2c1 2142505961 ZURIIIQFUITBTA-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE N#CC1(Cc2csc(-c3ccsc3)n2)CCCCCC1 2144694137 DNQPLTDQTBKRIK-UHFFFAOYSA-N 302.468 5.278 30 10 DKEE C=C(C)C[C@@H](NCCC)c1ccc(SC(F)(F)F)cc1 2164262173 DHQBTHOWMJRVOG-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=CCCCCOc1c(Cl)cc(Cl)cc1CNC(C)C 2179678196 HFLYMCFULHVWQG-UHFFFAOYSA-N 316.272 5.227 30 10 DKEE C[C@H](Nc1ccc(Cl)c(C#N)c1)c1cc(F)cc(Cl)c1 2238006785 MOFATENHVPBTSQ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C=C(CC)CC(=O)c1c(Cl)cc(Br)cc1Cl 2243539943 ZDOMCRRLDRGVME-UHFFFAOYSA-N 322.029 5.295 30 10 DKEE CCCC(CS)(CCC)CSC[C@@H](CC(C)(C)C)OC 2287315536 VUIPZBDTZNLULA-OAHLLOKOSA-N 320.608 5.687 30 10 DKEE CC(C)c1ccc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 2294300139 WNNAYVSONXCJDE-UHFFFAOYSA-N 319.231 6.013 30 10 DKEE CCCCC=C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F 2295162334 DBIHZZJBLFPWSQ-ZETCQYMHSA-N 302.180 5.201 30 10 DKEE CC(=CC(=O)c1ccc(Cl)cc1)Nc1cc(C)ccc1Cl 2297331461 GUAJJBLORICASA-UHFFFAOYSA-N 320.219 5.500 30 10 DKEE O=C1C(=Cc2ccc(C(F)(F)F)cc2)CC[C@@H]2CCCC[C@H]12 2297452561 BXTGKOZOKNKUSL-BBRMVZONSA-N 308.343 5.258 30 10 DKEE C=CCC(CC=C)n1ccc2cc(OCc3ccccc3)ccc21 2301114935 JTBGVRQTLLZCCJ-UHFFFAOYSA-N 317.432 5.914 30 10 DKEE CCCC(CS)(CCC)CN(C)C1C[C@@H](C)S[C@H](C)C1 2365720638 NJXSMUGDYNZBHH-HUUCEWRRSA-N 317.608 5.107 30 10 DKEE C=CCC(C)(C)C(=O)c1cc(Cl)ccc1OC(F)(F)F 2370566896 BMWSATQJZXHODQ-UHFFFAOYSA-N 306.711 5.024 30 10 DKEE CSc1ccc(/C=N/Nc2cc(Cl)ccc2Cl)cc1 59157545 SDOSJFHEUGEHKA-RQZCQDPDSA-N 311.237 5.161 30 10 DKEE CCCCCCCCCCCCNc1ccc(OCC)cc1 60187058 NILODTXTCWONFL-UHFFFAOYSA-N 305.506 6.418 30 10 DKEE CC(C)(C)c1ccccc1OCCCCCCCCCS 97799638 CMPGCLNUBQAYQV-UHFFFAOYSA-N 308.531 6.023 30 10 DKEE Cc1ccc(/C=C2/C[C@@H](c3ccccc3)c3ccccc3C2=O)cc1 103043866 NIRIKABXXZPISN-WNPPMXKSSA-N 324.423 5.797 30 10 DKEE CCCCCCCC[C@H](O)c1ccc(OC(F)(F)F)cc1 115652891 BSIOIAIPZZXWDR-HNNXBMFYSA-N 304.352 5.369 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1cc2c(s1)CCC2 122658281 GWFPFGUDPYQVRE-MRXNPFEDSA-N 308.535 5.272 30 10 DKEE CCCc1c(C#N)oc2c(C(C)C)cc(Br)cc12 136482002 NHMXZKXANMUQQG-UHFFFAOYSA-N 306.203 5.143 30 10 DKEE CCCCCCCCC[C@H](O)c1cc2ccc(F)cc2s1 168181204 CZYSFMWCRDFJRY-INIZCTEOSA-N 308.462 6.215 30 10 DKEE CC(C)c1ccccc1Oc1ccc(C#N)cc1Br 213375451 TYLMOLYCSNACQV-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCCC[C@H](NC)c1ccc(Cl)c(OC)c1 229772388 ZTZIFICEBDXZBK-KRWDZBQOSA-N 311.897 5.750 30 10 DKEE Cc1cc(N=Cc2cccc3ccccc23)ccc1Br 254352221 ZOYDYEYOGBAVAA-UHFFFAOYSA-N 324.221 5.661 30 10 DKEE Cc1ccc(Br)cc1C[C@@]1(C#N)CCCC[C@H]1C 314522497 GOTIHNWXEIWNMF-CZUORRHYSA-N 306.247 5.020 30 10 DKEE CN(Cc1cc2cscc2s1)c1ccc(Cl)cc1C#N 693987140 UYMVMTVYBYKCEA-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE C=CCSc1ccccc1N[C@H](C)c1nc(C)c(C)s1 701964144 WZBPHKZFHGCUAO-GFCCVEGCSA-N 304.484 5.211 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1c(Cl)cccc1Cl 703962504 YZZDVPHLSPAOHT-GFCCVEGCSA-N 300.273 5.636 30 10 DKEE C[C@H](Nc1cc(F)cc(C#N)c1)c1cccc(Cl)c1Cl 718508687 AYQAWHGRYZXOLO-VIFPVBQESA-N 309.171 5.177 30 10 DKEE Fc1sc2ccc(SC(F)(F)F)cc2c1C(F)(F)F 725305134 OXJXSKHLXYJQPW-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CCCCCc1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 1084599917 HKGOLUKEVFWAFB-KAMYIIQDSA-N 323.392 5.224 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(F)c(Br)c1 1920039195 VBSBIGRYYSODNK-HNNXBMFYSA-N 317.242 5.156 30 10 DKEE CC(C)CN(Cc1ccccc1)c1cc(Cl)c(C#N)cc1F 1974823811 DNEKHMYWDSLMMA-UHFFFAOYSA-N 316.807 5.013 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)C1CCC(C)CC1 1975998309 NEJKFMPHZXETRK-ICIBYLBGSA-N 322.493 5.131 30 10 DKEE C=C(CN(Cc1ccccc1)CC1CCCCC1)c1ccccc1 2019210869 HZWXKWRMZCGLGX-UHFFFAOYSA-N 319.492 5.782 30 10 DKEE C=CCCCCCC[C@@]1(N)CCc2cc(Br)ccc21 2141912948 DFQKYTGVHBJOPK-QGZVFWFLSA-N 322.290 5.076 30 10 DKEE C=CCCC[C@@H](NCC)c1ccc(SC(F)(F)F)cc1 2164261629 YNBHRNFPQRNCQG-CQSZACIVSA-N 303.393 5.305 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(F)c(Cl)cc1F 2179681953 VMEAKZXEJRAQTQ-INIZCTEOSA-N 301.808 5.405 30 10 DKEE Cc1cc(Cl)cc(Cl)c1NC[C@H](C#N)C1CCCCC1 2201068999 UGVKWNACISLYNY-ZDUSSCGKSA-N 311.256 5.434 30 10 DKEE C=CCCCCCC[C@H](CSc1ccccc1Cl)NC 2206900077 PRMKWUJRAWJEDO-OAHLLOKOSA-N 311.922 5.547 30 10 DKEE C=C(C)CC[C@@H](NCC)c1scc(Br)c1Cl 2242656408 MYJQXXSZCKEMLW-SNVBAGLBSA-N 322.699 5.171 30 10 DKEE C=C[C@H](C)CCN[C@H](C)c1ccc(OCc2ccccc2)cc1 2245053940 PCWNDYPMCRJKHO-ZWKOTPCHSA-N 309.453 5.128 30 10 DKEE CC[C@](O)(C#CC1CCCCC1)c1ccc(Cl)c(Cl)c1 2289777361 QGVMRAMFROGFJO-KRWDZBQOSA-N 311.252 5.175 30 10 DKEE C=CCC(CC=C)[C@@H](NCC)c1scc(Cl)c1Cl 2316750638 VWOVWUYPIQSGGH-CYBMUJFWSA-N 304.286 5.474 30 10 DKEE CC(C)(C)c1ccc(C(=O)C=Cc2ccc(O)c(Cl)c2)cc1 2325792645 PTFKEJUUGKFQTF-UHFFFAOYSA-N 314.812 5.239 30 10 DKEE Fc1cccc(CON=C(c2ccc3c(c2)CCCC3)C2CC2)c1 2330309902 SVWLLNQTHIERAO-UHFFFAOYSA-N 323.411 5.035 30 10 DKEE Cc1c(COC[C@H](CS)CC2CC2)ccc(Cl)c1Cl 2339424816 ZSQSBBNFIPKPTE-GFCCVEGCSA-N 319.297 5.165 30 10 DKEE N#Cc1c(-c2ccccc2)cc(/C=C/c2ccccc2)[nH]c1=S 6343950 PCPFQCAKLPBRLB-VAWYXSNFSA-N 314.413 5.453 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2 14548801 KQYZNXPEHLLZFP-ZRGWGRIASA-N 309.434 5.139 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccc(Cl)cc2)C1 37154018 OJCPJZSQNWJVGW-XJKCOSOUSA-N 307.890 5.787 30 10 DKEE Cc1ccc(C)c(Sc2ccc(C(F)(F)F)cc2C#N)c1 37334167 GJOFBKUMUPZRTD-UHFFFAOYSA-N 307.340 5.345 30 10 DKEE CCCOc1c(C)cc(C)cc1C(=O)/C=C/c1sccc1C 83193833 POAOQWNMKFWEEF-VOTSOKGWSA-N 314.450 5.358 30 10 DKEE CC(C)(C)[C@H]1CCC[C@@](C#N)(Nc2cccc(Cl)c2)CC1 86959646 HKVBCRQYOGOQSC-KBXCAEBGSA-N 304.865 5.641 30 10 DKEE CC[C@H]1CC[C@@H](C#N)[C@H](N(C)[C@@H](C)c2ccc(Cl)cc2)C1 110265533 SFOPNFZVNSCEER-ILXVDBEPSA-N 304.865 5.051 30 10 DKEE CCCCCC#CCCCCCCCCCO[C@@H]1CCCCO1 207129505 IVCINHAZIPONFW-NRFANRHFSA-N 322.533 6.234 30 10 DKEE N#C[C@H](C(=O)CCC1CCCCC1)c1cccc(Cl)c1F 212366512 TXQLSZYQTQDQIQ-AWEZNQCLSA-N 307.796 5.016 30 10 DKEE C=C1C[C@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 219727347 NIKHGUQULKYIGE-GJCUDGATSA-N 302.458 5.040 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1SCCS[C@@H]1CC 228153432 HFDMMVSOSMSLKT-XHSDSOJGSA-N 303.581 5.082 30 10 DKEE CCCCCCCCCCC[C@H](Cc1csc(C)n1)NC 229589990 PLPVBQZSYHWJNS-QGZVFWFLSA-N 310.551 5.503 30 10 DKEE CCCCCCCC(=O)c1c(F)ccc(Br)c1F 232936206 VVGUJKVZVDTJDO-UHFFFAOYSA-N 319.189 5.271 30 10 DKEE Cc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)c(C#N)c1 235275111 YGLSIERLBQZWEY-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=CCCC[C@H](NCC)c1cccc(OCc2ccccc2)c1 303759900 FWYCUNWUKYALMI-NRFANRHFSA-N 309.453 5.273 30 10 DKEE CCCCCCCCCCCC[C@H](NC)[C@H](C)CSC 379920630 AZNJJKZDOAJHDY-MSOLQXFVSA-N 301.584 5.885 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCCC1(C)C 719203368 DREJQVJCIOWAJG-DNVCBOLYSA-N 322.493 5.275 30 10 DKEE FC(F)Oc1ccc2c(C(F)(F)F)c(C(F)F)sc2c1 725292951 WJBSNDXUWDUUMK-UHFFFAOYSA-N 318.213 5.459 30 10 DKEE Cc1ccc(C)n1-c1ccc(C=NNc2ccc(Cl)cc2)cc1 1088691989 OVFBSFZCZREIMC-UHFFFAOYSA-N 323.827 5.194 30 10 DKEE CCCCCCC[C@]1(N)C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 1896579845 BHNPVOFRBCYICO-WOZUAGRISA-N 315.501 5.060 30 10 DKEE CCCCCCCCCCOCC[C@H](C)NCc1ccccc1 1915374496 WLLNXFQLNWJTAE-FQEVSTJZSA-N 319.533 5.712 30 10 DKEE CCCCCCCCC[C@](C)(O)c1ccc(F)c(Cl)c1 1919612711 FJMPGCRHGJCKDR-KRWDZBQOSA-N 300.845 5.827 30 10 DKEE CCCCCCCCC[C@](C)(N)c1ccc(Br)o1 1920152447 IJKZZMLJYGAFBC-HNNXBMFYSA-N 316.283 5.357 30 10 DKEE C=C(COCc1ccccc1)[C@@]1(O)CCCC2(CCCCC2)C1 1976030316 RQBBRWNQEZWKMS-OAQYLSRUSA-N 314.469 5.015 30 10 DKEE C=CCCCCC[C@]1(O)CC[C@@H](C)C[C@H]1OCc1ccccc1 1991142440 GRCAJKDXJPYZAR-NRSPTQNISA-N 316.485 5.259 30 10 DKEE C=CCCCCCCC[C@@H](COCc1ccccc1)NCCC 1995173189 KMOKXUDXECACRK-NRFANRHFSA-N 317.517 5.488 30 10 DKEE CCCC[C@@](C)(C#N)Cc1cc(Br)ccc1Cl 2001856349 HPYJBUOEFQXZEE-CQSZACIVSA-N 314.654 5.365 30 10 DKEE C=CC1(CC(=O)c2ccc(Br)c(Cl)c2)CCC1 2002613602 RNFAEIMFPFYNMP-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE C=C([C@@H](NCC)c1ccc(C)cc1Br)C(C)(C)C 2035436463 YQQBNKIBDIBWKG-OAHLLOKOSA-N 310.279 5.010 30 10 DKEE C=CCC[C@@H](C)N[C@@H](C)c1cc2cc(Br)ccc2o1 2110808002 OKVOFJLTRPZBIC-NEPJUHHUSA-N 322.246 5.201 30 10 DKEE N#Cc1ccc(NC2CCCCCCCC2)cc1Br 2112434797 SYJLHXLJZQDONP-UHFFFAOYSA-N 321.262 5.236 30 10 DKEE C=CCCCCCC[C@@H](NC)c1ccc(C)cc1Br 2141914430 RGGIGHDJBZPNJR-QGZVFWFLSA-N 324.306 5.545 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2scc(Cl)c2Cl)cc1C 2152528774 ZVYSGMJZEKLPTH-NSHDSACASA-N 324.232 5.162 30 10 DKEE CCCCCCCCC[C@H](O)[C@H](N)c1cc(Cl)sc1C 2154485250 NGGZWFBMKCCCCF-GOEBONIOSA-N 317.926 5.211 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1cc(C(F)(F)F)ccc1Cl 2158329458 WSLOSNAILXAZAE-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C#CCCC[C@H](NCCC)c1cc(-c2cccs2)cs1 2164189021 DWYOLKIOLGKQKY-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE C=CC1(C[C@H](O)c2cc(C(F)(F)F)ccc2Cl)CCC1 2168028826 QCSNVKCYUMDYSY-ZDUSSCGKSA-N 304.739 5.139 30 10 DKEE C#CCCCCOc1cc2sc(C)nc2c2sccc12 2173457400 CHSNMOMFCXKHNL-UHFFFAOYSA-N 301.436 5.002 30 10 DKEE O=C[C@]1(Cc2c(Cl)cccc2Cl)CCCCC12CCC2 2173676664 PKWPZRCVMZDVDV-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE C=C1CCC(C[C@](C)(O)c2cc(Cl)cc(Cl)c2F)CC1 2196502335 BXAVNZDFKAFQGE-INIZCTEOSA-N 317.231 5.477 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@@H](CS)CC1CC1 2217702119 BMYVAKVMWHLKGQ-NSHDSACASA-N 305.270 5.027 30 10 DKEE C=CCCCCCCNc1ccc(OC)cc1Br 2221631093 FSMPTDBVQQBLCY-UHFFFAOYSA-N 312.251 5.006 30 10 DKEE C[C@H](CC(C)(C)C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234059329 INRKSRIQQFCGJU-ZWNOBZJWSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(F)c(Cl)cc1F 2235526287 JKZRUXTVAMJARQ-MRXNPFEDSA-N 301.808 5.535 30 10 DKEE N#C[C@H](c1ccc(Br)c(F)c1)C1CCCCCC1 2259001300 PBVCVFHAKOMKOC-ZDUSSCGKSA-N 310.210 5.166 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cccc(Br)c1C 2259194264 JMLWMJDDMMEWAU-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=C[C@@H](C)C[C@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2273115777 FRLHNPOPUDJEJI-WBMJQRKESA-N 324.306 5.219 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(N)c1ccc(Cl)c(Cl)c1 2284088700 IEPBMCJZXPGNKX-QGZVFWFLSA-N 310.268 5.163 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cccc(F)c1Cl 2295591756 IVBCKZKNZWRURJ-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE Cc1ccc(C(=NOCc2ccccc2Cl)C2CC2)cc1C 2330296736 MOUIMFHUCJRSMN-UHFFFAOYSA-N 313.828 5.288 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCC)c1cc(Cl)ccc1Cl 2335098174 HGCFPOAALKTCDB-IAQYHMDHSA-N 318.313 5.342 30 10 DKEE CCCOc1ccc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc1 3355471 RICMKMSUAPJVEP-NBVRZTHBSA-N 320.432 5.305 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2 14548804 KQYZNXPEHLLZFP-QMTMVMCOSA-N 309.434 5.139 30 10 DKEE Cc1cccc(C(=O)[C@@H](C#N)c2c(Cl)cccc2Cl)c1C 37344181 GZRRXFOWNIYLPS-ZDUSSCGKSA-N 318.203 5.100 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 37346181 UBQHSPRKMQPJFO-RISCZKNCSA-N 312.240 5.386 30 10 DKEE C=CCSc1ccccc1NCc1ccc(SC)cc1 37496222 WGBGSZHJOMZIKH-UHFFFAOYSA-N 301.480 5.299 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 37937250 LFVVHVGHIYGUJG-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE Clc1cccc(/N=C2/N[C@@H](c3ccccc3)CS2)c1Cl 63001587 ZINGBNMNLINKIM-CYBMUJFWSA-N 323.248 5.059 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)C[C@@H](CS)c1ccccc1 94579704 SDDLGTUFUICZLF-HOCLYGCPSA-N 319.901 5.046 30 10 DKEE CCCCCCCCCNc1ccc(C)cc1Br 110154339 SVKSRRSRYKWCQT-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE N#Cc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1 110262737 KSDIYJNSYJHQTM-UHFFFAOYSA-N 314.171 5.811 30 10 DKEE CCSc1cccc(N[C@@H]2CCCc3sccc32)c1C#N 130545865 LKUMPMQCPGXBBF-CQSZACIVSA-N 314.479 5.221 30 10 DKEE CCCCCCC[C@@H](NC)c1cccc(F)c1Br 158026805 HUCWTRNANFPJGO-CQSZACIVSA-N 316.258 5.209 30 10 DKEE CCCCCCCCCCCC[C@@H](NC)c1ccc(C)s1 162511611 INDSGHAQJJGNLB-GOSISDBHSA-N 309.563 6.628 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc2c(s1)CCSC2 168199516 VEHKPGLRZUJFMU-OAHLLOKOSA-N 312.544 5.712 30 10 DKEE Cc1ccc(-c2ncc(C#Cc3ccc(Cl)cc3)s2)cc1 196640138 BWUQEBIURKXLRU-UHFFFAOYSA-N 309.821 5.172 30 10 DKEE C=CCCCCC[C@H](O)c1cc(Cl)ccc1Br 236537352 GNNQRMVWJKDMRW-AWEZNQCLSA-N 317.654 5.272 30 10 DKEE CCCCCCC[C@@H](O)Cc1ccc(C)c(Br)c1 313654600 UQMONUPWKYDSAE-OAHLLOKOSA-N 313.279 5.021 30 10 DKEE C=CCCCCCCn1c(S)nc2cc(F)c(Cl)cc21 380458114 GRNKDNBANMYNIP-UHFFFAOYSA-N 312.841 5.254 30 10 DKEE CC[C@@H](C)N(CCCCCCCCCS)Cc1ccccc1 387368718 FMYUUUWECCUXSE-LJQANCHMSA-N 321.574 5.948 30 10 DKEE C#CCCCCCNc1ccc2cc(Br)ccc2c1 686681049 IGWOYCPOPCHBTI-UHFFFAOYSA-N 316.242 5.208 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1n1c(S)nc2cc(Cl)ccc21 692192624 YNQAKEKHTNFUAP-RISCZKNCSA-N 306.862 5.286 30 10 DKEE CC1(C)CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)C1 698912993 YKCMYQIBOXRDGA-IBGZPJMESA-N 320.477 5.029 30 10 DKEE C=CC(C)(C)CCN[C@H](c1ccco1)c1ccc(Cl)s1 701890516 GZWWFOMDIZMVPX-OAHLLOKOSA-N 309.862 5.276 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@H](C#N)CC1CCCCCC1 712362521 ANTRDDXWWLUCIY-KRWDZBQOSA-N 320.477 5.029 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1scnc1Cl 722009212 CGFLBVWYSGAKRN-CQSZACIVSA-N 316.942 5.587 30 10 DKEE Cc1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F 1848364792 GTKQMZPLHJNJLP-UHFFFAOYSA-N 324.195 5.117 30 10 DKEE CCCCc1ccc(C(=O)/C=C/c2ccc(O)c(OCC)c2)cc1 1874719124 FIHXTJJHOCGTJR-UKTHLTGXSA-N 324.420 5.030 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCCC)C(C)(C)C(C)(C)C 1922079178 COOFKNFNUIIYNB-IBGZPJMESA-N 317.517 5.200 30 10 DKEE C=CCCCCCCCCN1CC[C@H](OCc2ccccc2)C1 1995320078 QVPLGJFIZGOLGN-NRFANRHFSA-N 315.501 5.194 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1sccc1Br 1996478640 STGXAPFNWCAQQR-DGCLKSJQSA-N 316.308 5.154 30 10 DKEE C=C(C)[C@@H](NC)c1ccc(-c2ccccc2Br)s1 2045755322 MPDLSIIIPQXEBP-OAHLLOKOSA-N 322.271 5.014 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1scnc1Cl 2107888397 FLNWJFBQUPWHLJ-CYBMUJFWSA-N 302.915 5.588 30 10 DKEE C[C@H](Nc1cc(Cl)c(C#N)cc1F)c1ccc(Cl)cc1 2177382222 XSCQNOHFROFJOH-VIFPVBQESA-N 309.171 5.177 30 10 DKEE N#C[C@@H](CNc1cc(Cl)c(F)c(Cl)c1F)C1CCCC1 2200733311 JWNQIGCHLBIIFH-VIFPVBQESA-N 319.182 5.013 30 10 DKEE C=C1CCC(C[C@@H](Cc2cc(Cl)cc(Cl)c2)NC)CC1 2203954744 SDTGUOYAKADERF-KRWDZBQOSA-N 312.284 5.260 30 10 DKEE C=CCCCCCCCCCNCc1cc(C)c(Cl)s1 2207390164 GXVIXJRFXHXWAJ-UHFFFAOYSA-N 313.938 6.106 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(C)ccc1Br 2227271512 ASSKSKHGCKKRJZ-KRWDZBQOSA-N 324.306 5.674 30 10 DKEE SCC1(COCc2ccc(Cl)cc2Cl)CCCCC1 2231238690 NQDFBYYXQYWQNT-UHFFFAOYSA-N 319.297 5.390 30 10 DKEE C=C1C[C@H]1C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265967817 UEGHEKZHVJVYJV-WMLDXEAASA-N 322.290 5.189 30 10 DKEE SCC1(CSc2nc3cccnc3s2)CCCCCC1 2283817707 AYWGQSFZIKBUAT-UHFFFAOYSA-N 324.540 5.054 30 10 DKEE CO[C@@H](CSCC1(CS)CCCCC1)C1CCCCC1 2284033871 VFEVHSQAJNFAMK-INIZCTEOSA-N 316.576 5.195 30 10 DKEE C=CCCCCCCCSc1ccc([C@H](C)N)c(Cl)c1 2287077699 XIQYTCCROUUVGV-AWEZNQCLSA-N 311.922 5.978 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OC[C@H](CS)CC(C)C 2328526812 ZPPMDBIIAXOYAQ-LLVKDONJSA-N 307.286 5.273 30 10 DKEE CCSc1ccc(C(CC)=NOCc2ccccc2C)cc1 2330293297 RHDVYIHFXRXFBV-UHFFFAOYSA-N 313.466 5.438 30 10 DKEE C=CCCSC[C@@H](NCC)c1ccc(Cl)c(C)c1Cl 2353118326 VRYUOVVNDZOIKA-CQSZACIVSA-N 318.313 5.262 30 10 DKEE C=CCC(CC=C)Sc1cc(C)sc1CNC1CCC1 2360373087 BXFLELJTYDMXQO-UHFFFAOYSA-N 307.528 5.312 30 10 DKEE C[C@H]1C[C@H](N(C)CCCCCCCCCS)C[C@@H](C)S1 2365598265 PUVLIPJKZNNRHW-BJWYYQGGSA-N 317.608 5.251 30 10 DKEE CCCN[C@@H](C#CC(C)(C)C)c1c(Cl)cc(F)cc1Cl 2366415579 UNUOPAUCWMFUME-AWEZNQCLSA-N 316.247 5.223 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2370605083 XWOOHNQCRHORGD-KGLIPLIRSA-N 306.755 5.385 30 10 DKEE CCN(CC)c1ccc(/C=C2\CC[C@@H](C3CCCC3)C2=O)cc1 3895460 MEWRVUFQFLRCIY-POLXVDLBSA-N 311.469 5.086 30 10 DKEE O=C1/C(=C/c2cccs2)[C@@H](c2ccccc2)Oc2ccccc21 32641971 SOZDMJDHJAWHMK-MBGNVJMVSA-N 318.397 5.148 30 10 DKEE Cc1ccc(F)c(-c2sc(C#N)c(N)c2-c2cccs2)c1 52999451 NZJCSQKQJHPJAR-UHFFFAOYSA-N 314.410 5.045 30 10 DKEE CCCCCCC[C@H](NCCC)c1c(F)cc(F)cc1F 59292650 YFJSJBWBODUKGS-INIZCTEOSA-N 301.396 5.505 30 10 DKEE CCCCCCCCCCOc1ccc(Cl)cc1CCN 109762868 PCLIDVQNYDKQBO-UHFFFAOYSA-N 311.897 5.361 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(Cl)cc1C(=O)OC 109781265 LWXRRWFIQMSZPJ-ZDUSSCGKSA-N 311.853 5.288 30 10 DKEE C[C@@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(C(F)(F)F)cc1 134707139 WJSFNDJCHIQKQU-GHMZBOCLSA-N 324.371 5.050 30 10 DKEE CCCCCCCCC[C@@H](NC)c1occc1Br 166488165 SKQCRCFZFJPUAO-CQSZACIVSA-N 316.283 5.443 30 10 DKEE C(\Nc1ccccc1)=C1/C(=Nc2ccccc2)Oc2ccccc21 254300816 PIVAFHFXTBFQQP-HVPJWHGGSA-N 312.372 5.262 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)[C@@H](C)C2CC2)C1 386058939 GUCOYXBESAAFMW-XHIHJMKYSA-N 324.512 5.396 30 10 DKEE CCCCN(CCCCCCCCCS)CC(F)(F)F 387094617 HUOCUMIHTHNPJV-UHFFFAOYSA-N 313.473 5.311 30 10 DKEE CC1([C@@H](C#N)Nc2cccc(Br)c2)CCCCCC1 394662052 ACIUKSMBAQYNBB-OAHLLOKOSA-N 321.262 5.114 30 10 DKEE C=C(C)CCC(=O)c1cc(CC)ccc1NC(=O)OC(C)(C)C 405837809 PBHHVUAFXLSBJM-UHFFFAOYSA-N 317.429 5.135 30 10 DKEE Cc1c(Cl)cc(NC[C@H](C#N)c2ccccc2)cc1Cl 690310262 JNNBKCZNESLXLC-ZDUSSCGKSA-N 305.208 5.021 30 10 DKEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698920343 IDFOGOQMBJHLJA-LJQANCHMSA-N 316.445 5.209 30 10 DKEE CCCCCCCCOC[C@H](N)c1cc(Cl)ccc1Cl 709573444 AJMCJJJPYZDLTG-INIZCTEOSA-N 318.288 5.370 30 10 DKEE Fc1ccc(C(F)(F)F)c2sc(SC(F)(F)F)cc12 725304683 CSSSRBFRIRUZBC-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE C/C(=N\OCc1cc(Cl)ccc1F)c1ccc(C)cc1C 1857935665 UAUZGYHMLHUAIY-DEDYPNTBSA-N 305.780 5.037 30 10 DKEE C/C(=N\OCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1C 1857935703 VXSKSDGQOBNSNP-DEDYPNTBSA-N 322.235 5.551 30 10 DKEE CCCCCCC[C@](C)(N)C[C@@H](C)COCc1ccccc1 1919504653 LKPYMEJOTUTKCC-QUCCMNQESA-N 305.506 5.307 30 10 DKEE CC[C@](C)(C#N)[C@@H](O)c1ccc(-c2ccc(Cl)cc2)s1 1921047702 DMJNBGODQUVLLD-JKSUJKDBSA-N 305.830 5.042 30 10 DKEE CCCCCCCCC[C@]1(N)CC[C@H]1OCc1ccccc1 1934897636 UUJXNHFALNSULR-UXHICEINSA-N 303.490 5.204 30 10 DKEE C=CCCCCCCCCOCC(C)(C)NCc1ccccc1 1995325519 LLMZQMBENNHCKO-UHFFFAOYSA-N 317.517 5.488 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccccc1Br 2085850767 ZBKLZSVPMPZBPB-MRXNPFEDSA-N 311.263 5.399 30 10 DKEE N#CC1(Cc2cscc2C(F)(F)F)CCCCCCC1 2157159338 GVUFSMDMYDAWKN-UHFFFAOYSA-N 301.377 5.564 30 10 DKEE C=CC1(CN[C@@H](C)c2cc(Cl)cc(Cl)c2F)CCCC1 2189505444 GLYZJMFMRTUKCN-NSHDSACASA-N 316.247 5.530 30 10 DKEE CCCCCCCCCC[C@H](C[C@H](C)P(C)(C)=O)NC 2192520758 YNGPFYUVQFVGBW-DLBZAZTESA-N 303.471 5.507 30 10 DKEE CCCCCCC[C@H](N)c1c(C)sc(Br)c1C 2213609256 NDKAPEKTYPVUJD-LBPRGKRZSA-N 318.324 5.488 30 10 DKEE C=C(C)CCCC[C@H](N)c1ccccc1OCc1ccccc1 2244633977 JOLCFRHVJMUXTP-FQEVSTJZSA-N 309.453 5.402 30 10 DKEE CCCCCC#CC[C@@H](O)c1cc(Cl)c(OC)cc1Cl 2281534882 UXNMMIZWZPUABC-OAHLLOKOSA-N 315.240 5.009 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1c(F)ccc(F)c1Cl 2287372393 LUZMCBYHGCIWFK-CQSZACIVSA-N 301.808 5.405 30 10 DKEE Cc1cc(Nc2ccc(C#N)c(F)c2F)c(Cl)cc1Cl 2294708193 BERKCSZNLOBENX-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE CCCCCn1c(C=CC(=O)c2ccccc2)nc2ccccc21 2294869049 GVKIOJBRVCOHLT-UHFFFAOYSA-N 318.420 5.123 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CCC(=Cc1ccccc1Cl)C3=O 2295880033 YTZCZWJRALRLAF-UHFFFAOYSA-N 321.807 5.342 30 10 DKEE Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N=Cc1ccc(F)cc1 2295880070 QDHHTYQSCWZWEO-IBGZPJMESA-N 306.384 5.112 30 10 DKEE C#CC[C@H](C[C@@H](NC)c1ccc(Cl)c(Cl)c1C)C1CC1 2364403877 AKABXAAGYGSAKS-CZUORRHYSA-N 310.268 5.002 30 10 DKEE C=CCC(C)(C)[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2370498332 URUOAALMZIPEMT-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C=C1CC[C@H]2[C@@H](C1)c1c(O)cc(CCCCC)cc1OC2(C)C 29392848 AOYYFUGUUIRBML-SJORKVTESA-N 314.469 5.736 30 10 DKEE Cc1cc(C)c(C[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c(C)c1 57760698 WCWFXOWWHLFLCM-IBGZPJMESA-N 305.465 5.759 30 10 DKEE CCCCCCC[C@@H](C)NCc1cccc(C(F)(F)F)c1 59089775 HOHARIUWUMMJQF-CQSZACIVSA-N 301.396 5.544 30 10 DKEE CC[C@H](C)Oc1ccc(-c2cc(C#N)c(C(F)(F)F)o2)cc1 77086267 ILMZTKJHMIKPHG-JTQLQIEISA-N 309.287 5.014 30 10 DKEE CCCCCOc1ccc(/C=N/Nc2ccc(Cl)cc2)cc1 82252062 MTLKLSFFFIOGCT-XSFVSMFZSA-N 316.832 5.355 30 10 DKEE CCCCCCCCCCCCCC[N+]1(CC)CCOCC1 100101697 NZQJPWUERLLYCX-UHFFFAOYSA-N 312.562 5.554 30 10 DKEE CCCCCCCCOc1ccc(CNC2CC2)cc1Cl 110095951 YMGYUUTUALVCHS-UHFFFAOYSA-N 309.881 5.331 30 10 DKEE CCCCCCC[C@H](CSc1cccc(Cl)c1)NCC 117527639 HVTBCZNFUNMISI-MRXNPFEDSA-N 313.938 5.771 30 10 DKEE CCCCCCCC[C@H](Cc1c(Cl)cccc1Cl)NN 125884264 YQUJENWLZDPMLL-CYBMUJFWSA-N 317.304 5.118 30 10 DKEE CCCCCCCCOc1c(C)cc(Br)cc1N 150220562 OKMFXWVPLSTUKW-UHFFFAOYSA-N 314.267 5.079 30 10 DKEE Cc1cc(Sc2ccc(Cl)c(Cl)c2)c(C#N)c(C)n1 157574399 JVZNZNUQARCUMN-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE C=CCN(c1ccc([C@H](C)NCCC)c(Cl)c1)C(C)(C)C 162274323 UGXLJGDYOMDROK-AWEZNQCLSA-N 308.897 5.192 30 10 DKEE CCCCCCCCCC[C@@H](N)c1csc2ccccc12 162291103 SIDIWPVPWUADSB-GOSISDBHSA-N 303.515 6.432 30 10 DKEE CCCCCCCCCCCC(=O)c1ccc(Cl)cc1F 229343214 FANPWQFNAMZFOW-UHFFFAOYSA-N 312.856 6.583 30 10 DKEE CCCCCCCCN[C@H](C)c1cccc(Cl)c1Cl 232938005 ZFMPXUNGZCLHGZ-CYBMUJFWSA-N 302.289 6.005 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(Cl)cc(Br)c1 233557686 CCUYMJTUQAYGAK-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE CCOc1ccc(N=Cc2c(OCC)ccc3ccccc23)cc1 254794898 HAWLEODUOCPFRE-UHFFFAOYSA-N 319.404 5.388 30 10 DKEE Cc1cc(C#N)cc(N[C@@H](C)c2cc(Cl)ccc2Cl)c1 308121818 LVUASFLLNMSXBR-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 384393964 BZYIRKLPBUYFRD-HSALFYBXSA-N 312.501 5.253 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695045649 RJQHWRZBNGEROE-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CC(C)(C)CCN[C@H](C)c1c(Cl)ccc(F)c1Cl 701891230 OXTIMYDVVADFOJ-SNVBAGLBSA-N 304.236 5.385 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cc2cscc2s1 703714209 RCWMVNFXZJSNMQ-OAHLLOKOSA-N 307.528 6.140 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1NCCCCCC#N 709217752 MJGPVAHHVVBUQM-UHFFFAOYSA-N 308.425 5.070 30 10 DKEE CCCCCCCC(=O)c1ccc(Cl)cc1C(F)(F)F 712596615 VMDKOGOIZGCQEH-UHFFFAOYSA-N 306.755 5.902 30 10 DKEE CCCCCCC[C@@H](CCCOCc1ccccc1)NCCC 719129902 LYGCAPDJRDJZMB-NRFANRHFSA-N 319.533 5.712 30 10 DKEE CC1(C)CCCCC[C@]1(C#N)Nc1cccc(Br)c1 719209371 XXTMUSOBWZUDPK-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CC/C(=N\OCc1cccc2ccccc12)c1ccc(F)c(C)c1 821224714 WQLBJFUEFUXIGW-XTQSDGFTSA-N 321.395 5.618 30 10 DKEE Cc1ccc(C)c(N=Cc2cccc(OCc3ccccc3)c2)c1 1083909613 SHYPEBWHXGFDMV-UHFFFAOYSA-N 315.416 5.633 30 10 DKEE N#Cc1c(N=Cc2ccc(Cl)cc2Cl)sc2c1CCC2 1084258801 ODQWRLPXCCZMCJ-UHFFFAOYSA-N 321.232 5.166 30 10 DKEE C=CC[C@@H](CNC(C)(C)C)Cc1cc(Cl)cc(Cl)c1 1893139784 SBMOVRJYKIOQSM-GFCCVEGCSA-N 300.273 5.116 30 10 DKEE C=CCC(CC=C)Nc1cccc(Cl)c1Br 1900996866 MBGRXCNCCFDLMH-UHFFFAOYSA-N 300.627 5.035 30 10 DKEE C=CCCCCCCCCCO[C@H](C)CNCc1ccccc1 1995329022 XHRAMDZSXCSAGC-HXUWFJFHSA-N 317.517 5.488 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(Br)sn1 2007643832 IJPWMWVAUXIPJL-GFCCVEGCSA-N 320.296 5.080 30 10 DKEE CC[C@H]1CC=C(C(=O)c2sc(C)cc2Br)CC1 2010784341 NNQNUYRXTPEELO-JTQLQIEISA-N 313.260 5.138 30 10 DKEE CCCC#CCC[C@H](NCCC)c1ccc(Br)cc1 2138984377 AORWLZWMPFSDDB-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE CCC[C@H](C(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(C)C 2144871686 BNHJMLSHEJYMSO-STQMWFEESA-N 312.240 5.242 30 10 DKEE C=CC1(C[C@@H](Cc2c(Cl)cccc2Cl)NCC)CCC1 2168022035 CNNXXMGWCKDVGR-CYBMUJFWSA-N 312.284 5.260 30 10 DKEE CCCCCCCCCCCCOC[C@H](SC)[C@H](C)N 2176253863 DMZBBYARKVLOPT-IRXDYDNUSA-N 303.556 5.003 30 10 DKEE C=C([C@H](NCCC)[C@@]1(C)CCCC(F)(F)C1)[Si](C)(C)C 2188666609 PDJZABCFIBIFFH-GJZGRUSLSA-N 303.513 5.004 30 10 DKEE C=C1CC([C@H](NCCC)c2ccc(Cl)c(Cl)c2OC)C1 2203430721 NEGNEYIHOOARIA-HNNXBMFYSA-N 314.256 5.009 30 10 DKEE C=C[C@H](C)C[C@@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2217664848 DZTSQVRIVFHPEP-TVQRCGJNSA-N 306.664 5.510 30 10 DKEE CCCCCCCCC[C@H](C)NCc1cc(Cl)ns1 2278241133 SWWUWVCFEZVOTO-ZDUSSCGKSA-N 302.915 5.415 30 10 DKEE C=C([C@@H](OCCCN)c1ccc(Cl)cc1Cl)C(C)(C)C 2294252305 RKIIVLULQUWGCA-OAHLLOKOSA-N 316.272 5.002 30 10 DKEE CCCCCCCCC[C@H](C)Nc1ccc(Cl)cc1Cl 2295685340 WOYDTBGGJIRQKD-AWEZNQCLSA-N 316.316 6.935 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1cc(Cl)sc1Cl 2339568245 NZGDUAUJEBYHTL-JQWIXIFHSA-N 316.297 5.145 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1cc(C)c(Br)c(C)c1 2344359118 XFVXNNZXXUFZGI-IRXDYDNUSA-N 324.306 5.319 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Cl)c(Cl)c1OC 2344472795 DPAFMTLPCMHTMH-LSDHHAIUSA-N 303.229 5.028 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 2349848653 VPGOGEJMTZPYRS-VIFPVBQESA-N 301.188 5.452 30 10 DKEE Cc1c(Cl)ccc([C@H](C)[C@]2(C=O)CCCSC2)c1Cl 2353222777 QCVAEQWGGCPRDZ-NHYWBVRUSA-N 317.281 5.118 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@H]1C[C@H](SC)C1 2360916725 JCQKWZHSFDIAHI-KZNAEPCWSA-N 300.552 5.800 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 20700180 APCUYBLPUZMKNZ-PJIJBLCYSA-N 306.796 5.038 30 10 DKEE CCOc1ccc(-c2csc(/N=C\c3ccc(C)cc3)n2)cc1 59386954 BQAPVUGEFMPJKD-NDENLUEZSA-N 322.433 5.268 30 10 DKEE C=CCc1cc(-c2ccccc2)cc(C=O)c1OCCC(C)C 66117720 XJFIFACDUBBONJ-UHFFFAOYSA-N 308.421 5.320 30 10 DKEE N#CC1(c2c(Cl)cccc2Cl)CC2(CCCCCC2)C1 86543280 JHPNYZALAHDPFN-UHFFFAOYSA-N 308.252 5.889 30 10 DKEE CCCCCCCCSC1(Cc2ccccc2)CCCC1 100000778 XPPJVAANUAYCPS-UHFFFAOYSA-N 304.543 6.636 30 10 DKEE CCCCCCCNCc1ccccc1OCCCCCCC 100126230 DTWOQISIYJQNTF-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE CCCCCCC[C@@H](CNCCC)Cc1ccc(Cl)cc1 110917389 QVDSAQLZNZPPLE-GOSISDBHSA-N 309.925 5.859 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cccc(F)c1Cl 122665969 AWLBBQNKVVZBDG-INIZCTEOSA-N 314.876 5.514 30 10 DKEE C[C@H](c1cccs1)N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C#N 251235015 CSIALDHUBURWCQ-QKPAOTATSA-N 304.503 5.095 30 10 DKEE CC[C@@H](C)c1ccc(OCCCB2OC(C)(C)C(C)(C)O2)cc1 380227355 XDZYLFLTEQHLLO-OAHLLOKOSA-N 318.266 5.061 30 10 DKEE CCCCCCCCC[C@H](N)c1ccc(C(F)(F)F)s1 395049695 NCBTVSHUMCDLFH-LBPRGKRZSA-N 307.425 5.907 30 10 DKEE FC(F)(F)c1ccc(Cl)c(NN=C/C=C\c2ccccc2)c1 606347030 MLYUGKRDAHJUTO-USVWQRASSA-N 324.733 5.470 30 10 DKEE C=C(Cl)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 710655416 RIGDLDKMBLWDHP-UHFFFAOYSA-N 302.645 5.409 30 10 DKEE SC[C@@H](CC1CC1)CN(Cc1ccccc1)C1CCCCC1 1961122042 AGJMUTMRFKUHMF-IBGZPJMESA-N 317.542 5.167 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCCC12CC2 1985665143 NXCNSHMQJYRMPT-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCC#CC[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 2024350608 BJERONFAPFEGPF-JOCHJYFZSA-N 321.464 5.110 30 10 DKEE C=C(CC)C[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045723992 IUXOJROZDURIMT-GFCCVEGCSA-N 306.664 5.654 30 10 DKEE Cc1cc(NCC#CC2CCCCC2)cc(C)c1Br 2093452044 WDIHUELMHFULMH-UHFFFAOYSA-N 320.274 5.062 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1c(C)cccc1Br 2102112604 UCOKIKPIDHZESW-YOEHRIQHSA-N 324.306 5.401 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(F)ccc2Br)C1 2112240205 PMTANGSVEAUFQB-MRXNPFEDSA-N 324.237 5.241 30 10 DKEE Cc1sc(Cl)cc1[C@@H](O)[C@@]1(C#N)CCCC(C)(C)CC1 2157110879 BFAXHRSKNWDZRL-ZBFHGGJFSA-N 311.878 5.244 30 10 DKEE Cc1cc(C)cc(CSc2cc(Cl)c(C#N)cc2F)c1 2177379915 BDBISGNEKFGWGN-UHFFFAOYSA-N 305.805 5.260 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cscc1Br 2214614119 WCLFRFTXVZXLLJ-CQSZACIVSA-N 316.308 5.427 30 10 DKEE C=CCCC[C@H](NCC)c1sc(Br)c(C)c1C 2247217175 NAUKLYMXUNNISZ-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1cc(Cl)ns1 2278241132 SWWUWVCFEZVOTO-CYBMUJFWSA-N 302.915 5.415 30 10 DKEE CCCCCCCC[S@](=N)(=O)C[C@@H]1CCCCC1(F)F 2283105389 AIGLGVCKORPIPB-XOBRGWDASA-N 309.466 5.219 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 2287385861 ZUBRSRGFTAJVHM-UHFFFAOYSA-N 304.739 5.678 30 10 DKEE C=CCCCCCCC[C@H](OCCN)c1ccsc1Cl 2293777550 YZKJKYJGHDDTHD-HNNXBMFYSA-N 315.910 5.335 30 10 DKEE CCCCCCC[C@](C)(OCCCN)c1ccsc1Cl 2294442938 ZDUSCYCLTYKRHL-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=CCN(Cc1ccccc1)C[C@H](c1ccccc1)C1CCCC1 2303105290 OKDBFVIWRIKBHG-HSZRJFAPSA-N 319.492 5.649 30 10 DKEE C=CCCCC[C@@H](NCC)c1csc(C)c1Br 2303641052 YQTKIRKESFZNGN-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE N#C[C@H](CSCc1cccc(Br)c1)C1CCCC1 2318733110 ZBRZJROHAVRTOC-CQSZACIVSA-N 324.287 5.012 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2339006548 GVPSTKJEUQDWFB-MEDUHNTESA-N 300.273 5.555 30 10 DKEE Cc1c(COCCCCCCCS)ccc(Cl)c1Cl 2339424151 WFRVZPFSYPYNHV-UHFFFAOYSA-N 321.313 5.699 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc(Cl)cc(Cl)c1 2365070315 JJUDBFHVUJMYOM-CZUORRHYSA-N 310.268 5.084 30 10 DKEE C=CC1(CNCCCc2cc(Cl)cc(Cl)c2)CCCC1 2366832239 FCHYBPLPGZSQGC-UHFFFAOYSA-N 312.284 5.262 30 10 DKEE Cc1ccc(N/C=C2\CCC/C(=C\c3ccccc3)C2=O)c(C)c1 33747302 IDDDKDIIOSEAKA-PXXPDPNMSA-N 317.432 5.436 30 10 DKEE O=C(/C=C\c1cccc(Cl)c1Cl)c1cc2ccccc2o1 35131158 BWIUSXNWCKEGRE-HJWRWDBZSA-N 317.171 5.636 30 10 DKEE N#C[C@H](CCCOc1ccc2ccccc2c1)c1ccccc1 57684548 CFYQTYRRKCKBTL-FQEVSTJZSA-N 301.389 5.306 30 10 DKEE N#C[C@@H](CCCc1ccccc1)c1ccc(Cl)cc1Cl 57686056 VVFMUCBPQDLQKB-CQSZACIVSA-N 304.220 5.623 30 10 DKEE N#Cc1c(Cl)cccc1Sc1ccccc1Br 70139402 YUEGAVLALFDKRQ-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCC[C@@H](CSC(C)(C)C)NCCC 115645086 YAUMOZKDXDEBBC-SFHVURJKSA-N 315.611 6.417 30 10 DKEE CCSc1cccc(NCC(C)(C)c2cccs2)c1C#N 167606672 QFIKFFCXFBQTBP-UHFFFAOYSA-N 316.495 5.121 30 10 DKEE CCCCCCCC[C@H](OCc1ccc(F)cc1)C(=O)OCC 196489086 QRXPACBPEICEKO-SFHVURJKSA-N 324.436 5.025 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(Cl)sc1Cl 232962830 CMMLKFQWFHSWNS-ZDUSSCGKSA-N 322.345 6.586 30 10 DKEE C=CCCCCC[C@H](N)c1cccc(OCc2ccccc2)c1 303946036 NADXSVVCPYSVDW-NRFANRHFSA-N 309.453 5.402 30 10 DKEE C=CCC[C@H](C)Nc1ccc2ccccc2c1Br 396816358 HCENSIJXMDTRHO-LBPRGKRZSA-N 304.231 5.369 30 10 DKEE C=C(CC)CC(=O)[C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 405975925 KZFWBLKKZUFJHT-CQSZACIVSA-N 317.429 5.063 30 10 DKEE COc1ccccc1C(=O)/C=C\c1ccc(-c2ccccc2)cc1 606302891 CPBZAMNHJOBFJL-SSZFMOIBSA-N 314.384 5.258 30 10 DKEE CCCC1CCC(Nc2ccc(Br)c(C#N)c2)CC1 690203977 MLHOVXAQHNPKLY-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C=CCCC(C)(C)CN[C@H](C)c1ccc(Br)cc1 703956119 XZAMLHUCMFLHJR-CYBMUJFWSA-N 310.279 5.092 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(C(F)(F)F)ccc1F 710482402 ZQAVPPXYVDKANI-CYBMUJFWSA-N 309.734 5.028 30 10 DKEE CC1(C)CC(C)(C)CC(C#N)([C@H](O)c2sccc2Cl)C1 711170409 CFVOAKQHRMDTEW-CYBMUJFWSA-N 311.878 5.181 30 10 DKEE Cc1cc(C)c(C=Nc2ccc(Br)cc2)c(C)c1 1084224430 KQWXSANUGIKPCL-UHFFFAOYSA-N 302.215 5.125 30 10 DKEE CCCCCCCCNC(=O)c1cc2c(Cl)cccc2s1 1874052571 CVSQETRAHHURHH-UHFFFAOYSA-N 323.889 5.645 30 10 DKEE CCCCCCC[C@H](C)N[C@H]1CC[C@@H]1OCc1ccccc1 1934899014 AEBNILVNRXAIEW-IHPCNDPISA-N 303.490 5.073 30 10 DKEE C=CCCCCCC[C@@H](O)c1cscc1Br 1995202798 CCAMKWFZRLNCPM-CYBMUJFWSA-N 303.265 5.071 30 10 DKEE C=CCCCCCC[C@@H](N)c1sc(Br)cc1C 2026000931 BSABQTVYRWZUNZ-GFCCVEGCSA-N 316.308 5.345 30 10 DKEE C=CC1(C[C@H](NCC)c2scc(Cl)c2Cl)CCC1 2049036190 UUFHMDWKODFSFA-NSHDSACASA-N 304.286 5.452 30 10 DKEE CCCCCCCC(=O)c1ccc(Br)c(OC)c1 2072051983 DZPYFMWKUKSMKT-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE C=CCCCCCCC(=O)c1ccc(F)c(Br)c1 2085850870 ZVKGZQJSASFAKW-UHFFFAOYSA-N 313.210 5.298 30 10 DKEE Cc1c(Br)cccc1CC1(C#N)CCC(C)(C)CC1 2087419273 QAVIBNBBWAZESZ-UHFFFAOYSA-N 320.274 5.410 30 10 DKEE C=CCCCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NC 2139117987 PZIDMUZEWDZGNP-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CCCCCCCCCC(=O)c1ccc(Br)cc1 2142434537 JKBYTZUTTQBAQB-UHFFFAOYSA-N 323.274 5.939 30 10 DKEE C=CC1(CN[C@H](C)c2c(Cl)cccc2Cl)CCCCC1 2189505583 IXZRYPICWALOKV-CYBMUJFWSA-N 312.284 5.781 30 10 DKEE N#C[C@H](C(=O)c1ccccc1Cl)c1cc(Cl)cc(Cl)c1 2203956464 JVKAHNPKOWPGDC-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(-c2cccs2)s1 2205865527 KZUYWTHIQCALPI-AWEZNQCLSA-N 305.512 5.874 30 10 DKEE C=CCCCCCCCC(=O)c1cc(C(F)(F)F)ns1 2235532547 LMCKSOZGISVZJJ-UHFFFAOYSA-N 305.365 5.261 30 10 DKEE C=C(C)CCCCC(=O)c1cccc(OCc2ccccc2)c1 2244626092 HMVMVZDDNXASAC-UHFFFAOYSA-N 308.421 5.585 30 10 DKEE CC(C)(C)C#CC=CCc1cc(Cl)cc(Br)c1 2248455620 HSGPHUGDAGLFDP-UHFFFAOYSA-N 311.650 5.251 30 10 DKEE C=CCCCSC[C@H](NCC)c1cccc(Cl)c1Cl 2271488863 GVDKZUBYAMOGGZ-AWEZNQCLSA-N 318.313 5.343 30 10 DKEE C=C(C)CCCCNc1ccc2ccccc2c1Br 2271836477 HBQICVZFNNBYEN-UHFFFAOYSA-N 318.258 5.761 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(O)c1ccc(Cl)cc1Cl 2284071551 ULBAOINYYPYLGJ-QGZVFWFLSA-N 311.252 5.197 30 10 DKEE C=CCCCCCCCSCC(=O)c1cccc(Cl)c1 2287096422 KUEDADVATSUGOX-UHFFFAOYSA-N 310.890 5.783 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(C)cc(Br)c1 2321101571 KPAVQCLKHPHAJV-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE C=C[C@@H](C)CCN(C)CCCc1cc(Cl)cc(Cl)c1 2341128717 WZIBGLJZWKIHIK-CYBMUJFWSA-N 300.273 5.070 30 10 DKEE C=CC[C@H](C)Sc1ccc(F)c(Cl)c1CNC(C)(C)C 2360374558 JXCKHKSKVPUCOQ-NSHDSACASA-N 315.885 5.424 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](CC)c1ccc(Cl)c(Cl)c1 2362212211 SNXFBUZTWMBDDK-JCURWCKSSA-N 312.284 5.779 30 10 DKEE C=C[C@](C)(CNC1CCC1)Cc1ccc(Cl)c(Cl)c1C 2364047910 GPGOWGVWJKDPFZ-KRWDZBQOSA-N 312.284 5.179 30 10 DKEE C=C(C)CC[C@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366813259 LYBIMSUDVYYEFS-QGZVFWFLSA-N 314.300 5.651 30 10 DKEE CCCCCC#CC[C@H](N)CCc1cc(Cl)cc(Cl)c1 2366814697 SVNZYRPCTOYEBZ-KRWDZBQOSA-N 312.284 5.227 30 10 DKEE CCCOc1ccc(/C=C/C(=O)c2ccc(OCC)cc2C)cc1 83192952 KWHDXVZHDNKWSF-MDWZMJQESA-N 324.420 5.079 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2c(C)c(C)cc(C)c2C)cc1 83193763 QEDXVCDSEHFJKO-FMIVXFBMSA-N 308.421 5.215 30 10 DKEE CCCCCCCCCn1c(C(C)(C)C)nc2ccccc21 102194346 GQFLSRFITIPRMC-UHFFFAOYSA-N 300.490 6.084 30 10 DKEE CCCCCCCOc1ccc([C@@H](C)NCCC)cc1Cl 110364916 KOIABAHJBQCKSF-OAHLLOKOSA-N 311.897 5.750 30 10 DKEE N#C[C@H](C(=O)c1cc2sccc2s1)c1cccc(Cl)c1 123591206 XBUSUWSRAYJXMD-NSHDSACASA-N 317.822 5.106 30 10 DKEE CSc1cccc(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1C#N 136699679 MHBYRWROCNPFEV-JJRVBVJISA-N 303.471 5.120 30 10 DKEE CCCCCc1ccc(/C=C\B2OC(C)(C)C(C)(C)O2)cc1 199464407 ZNSXCABBRJIRGJ-PFONDFGASA-N 300.251 5.064 30 10 DKEE COc1ccccc1S[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 217534980 QUSKROJXGAELCL-KEYYUXOJSA-N 303.471 5.142 30 10 DKEE Cc1ccc(-n2c(C)cc(C=NNc3ccccc3)c2C)c(C)c1 254589097 CAMHASOLGRSROP-UHFFFAOYSA-N 317.436 5.157 30 10 DKEE CCCCCCCCC[S@@](=O)CCCOc1cccc(C)c1 586379439 UBAREJKDZBZVNQ-JOCHJYFZSA-N 324.530 5.263 30 10 DKEE CCCCCCC[C@@H](O)c1ccc(NC(=O)OC(C)(C)C)cc1 697374170 YZVQJKHZKLSUOE-QGZVFWFLSA-N 321.461 5.428 30 10 DKEE CC(C)[C@@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698873407 JQGMNMBDOBIDED-NVXWUHKLSA-N 322.493 5.131 30 10 DKEE C/C(=N\OC(c1ccccc1)c1ccccc1)c1ccc(C)cc1 1857935906 ILLQFXQBUBQXHP-PTGBLXJZSA-N 315.416 5.525 30 10 DKEE C=C1CCC(C[S@](=N)(=O)c2c(Cl)cccc2Cl)CC1 1879722105 ZWYDMLCDNPZUTN-IBGZPJMESA-N 318.269 5.145 30 10 DKEE C[C@@H](CCS)CCSCc1ccccc1Br 1902031640 BXXXEYFYLNPSRP-NSHDSACASA-N 319.333 5.028 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)[C@@H](CC(C)C)C(C)C 1922072204 RXQSYLWGWXIPHR-SFTDATJTSA-N 317.517 5.056 30 10 DKEE CC(C)(C)N(Cc1ccccc1)CC1(CS)CCCCC1 1932005590 OTROPUHZEKLWPJ-UHFFFAOYSA-N 305.531 5.167 30 10 DKEE C=CCCCCC[C@H](O)c1c(Br)sc(C)c1C 1951008595 ULMCPLQGTTWPOG-LBPRGKRZSA-N 317.292 5.297 30 10 DKEE C=C1CC(CCc2ccc(Cl)c(Br)c2F)C1 1985531433 WBDXFIPNSWZDOV-UHFFFAOYSA-N 303.602 5.140 30 10 DKEE C=CCCCCCCCCCNCC/C=C/Br 2026309289 CUDAKISUODEEJN-JLHYYAGUSA-N 302.300 5.182 30 10 DKEE CCC(=O)/C=C/c1ccc(-c2ccc(Br)cc2C)o1 2060405769 GKWHYMXUWZHJMU-AATRIKPKSA-N 319.198 5.010 30 10 DKEE C=C(CNc1cc(C)cc(Br)c1F)c1ccccc1 2089376410 OALNZPIWGDNVOS-UHFFFAOYSA-N 320.205 5.022 30 10 DKEE CC1(C)CCCC[C@@]1(C)Nc1cc(Br)ccc1C#N 2103595077 PBMJPAZRHNMEDK-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1ccc(Cl)c(Cl)c1 2148586076 GXURCYIYJQHBSQ-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE CCCCCCCC[C@H](N)[C@@H](O)c1cc(Cl)ccc1Cl 2148590550 VBMFPJXQZXNNID-HOTGVXAUSA-N 318.288 5.105 30 10 DKEE O=C[C@@]1(Cc2ccc(Cl)c(Cl)c2)CCCCC12CCC2 2173673118 LQWPRIXNJGFQAO-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE Cc1cc([C@@H](C)Nc2cc(Cl)c(F)cc2C#N)c(C)s1 2184459155 YTBKOIIIDATLDG-SECBINFHSA-N 308.809 5.202 30 10 DKEE N#C[C@@]1(CCc2cc(Cl)cc(Cl)c2)CCCC(F)(F)C1 2184862150 SFOPOEAISOKATC-CQSZACIVSA-N 318.194 5.645 30 10 DKEE C=CC1(CN[C@@H]2CCSc3ccc(Cl)cc32)CCCC1 2189515138 QUOWJVXELYCJSL-OAHLLOKOSA-N 307.890 5.213 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H]1CS[C@H](C)[C@@H](C)S1 2207433915 CVVUWMBBLFNSKU-NCOADZHNSA-N 315.592 5.246 30 10 DKEE C=CCCCCCCC[C@H](N)c1scc(Cl)c1Cl 2220082896 FLJBDTTYXMHTFZ-LBPRGKRZSA-N 306.302 5.971 30 10 DKEE C=CCCCCCCCOc1ccc(F)cc1Br 2220091180 ZIGZUPXFCCYJMR-UHFFFAOYSA-N 315.226 5.494 30 10 DKEE CCCCCCCC[C@](C)(O)[C@H](N)c1cc(Cl)sc1C 2240639405 FDIIXNJZNWVTKB-CVEARBPZSA-N 317.926 5.211 30 10 DKEE C=C(C)CCCC[C@H](N)c1c(Cl)ccc(Cl)c1Cl 2259179127 NFCURGOBCGAFJT-LBPRGKRZSA-N 306.664 5.783 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1ccc(Br)c(C)c1 2259194761 XBXUDLBDFLTANU-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cc(C)c(Br)cc1C 2321224383 KGDUGUZMURWKFF-HZPDHXFCSA-N 311.263 5.092 30 10 DKEE C=CCCCCC[C@@H](O)CCc1cc(Cl)cc(Cl)c1 2340976458 UHXJGMHYGVZWJH-MRXNPFEDSA-N 301.257 5.423 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1cc(Cl)ccc1Cl)NC 2344397298 RNIGZQWRCUWKCQ-CVEARBPZSA-N 300.273 5.116 30 10 DKEE C[C@H]1CCCC[C@@]1(C=O)Cc1cc(F)c(Cl)cc1Cl 2349905851 GYSAKKCPDRKHIL-BONVTDFDSA-N 303.204 5.070 30 10 DKEE C=CCC(CC=C)SC[C@@H](NCC)c1cccc(Cl)c1 2360339533 ZPTAITHOPVSVTK-QGZVFWFLSA-N 309.906 5.245 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1ccc(Cl)c(Cl)c1)NCC 2370522470 QPUFHZDZJIHRMJ-IAGOWNOFSA-N 314.300 5.506 30 10 DKEE COc1cccc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)c1 37154674 UQGMWYPVHRHKJK-JKIFEVAISA-N 303.471 5.142 30 10 DKEE C[C@H](c1cccs1)N(C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N 49726797 CSIALDHUBURWCQ-KLHDSHLOSA-N 304.503 5.095 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CSCC(C)C 115645347 YIHOLYJCOKIUBX-GOSISDBHSA-N 301.584 6.014 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@H](C=C)/C=C/CCCCCC 238188082 VRRLBKVBZSQYFR-IAOULYHDSA-N 307.478 5.491 30 10 DKEE Fc1cc(Cl)cc(OCCCCCCCCCS)c1 703733280 QAJWMNKMMJHDAA-UHFFFAOYSA-N 304.858 5.518 30 10 DKEE CCCCCCC[C@@](N)(CC)c1ccc(Cl)c(Cl)c1 704489690 GOQBSCKAZOVWKU-INIZCTEOSA-N 302.289 5.918 30 10 DKEE Cc1cc(Oc2cc(Cl)ccc2Br)ccc1C#N 708119867 QFIKLPYKAQZNKN-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCOC[C@@H](N)c1cc(F)c(Cl)cc1Cl 709569780 PAKGWFZKZNDWAN-OAHLLOKOSA-N 322.251 5.119 30 10 DKEE CCCCCCCCN1CCc2c(Br)cccc21 713307820 BTBCHSZJJADPTD-UHFFFAOYSA-N 310.279 5.172 30 10 DKEE CCCCCCCN1CCCc2cccc(Br)c21 713323667 DOBJSZXVASAGRA-UHFFFAOYSA-N 310.279 5.172 30 10 DKEE C=C1CCC(Cn2c(S)nc3ccc(Cl)c(C)c32)CC1 724465456 YRDYAKNDNWZILD-UHFFFAOYSA-N 306.862 5.033 30 10 DKEE CCN1c2ccc(C=Nc3ccc(F)cc3)cc2C(C)=CC1(C)C 1084249488 DBZPMPHEMZWJSE-UHFFFAOYSA-N 322.427 5.598 30 10 DKEE Clc1ccc(C#Cc2cccc(Cl)c2Cl)c(Cl)c1 1614826415 QQEHFZTWGSVXCE-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE CCCCCCCn1c([C@H](N)CCC)nc2cc(C)ccc21 1857801830 BNALDMHCLVAAQI-MRXNPFEDSA-N 301.478 5.115 30 10 DKEE CCCCCCCCCCNC(=O)/C(C)=C/c1ccccc1 1868187271 YEINJDQGSYVELF-ISLYRVAYSA-N 301.474 5.347 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(C)c(Br)o1 1917588859 WKMNTSMIQAMMKZ-GFCCVEGCSA-N 302.256 5.101 30 10 DKEE CCCCCCCC(=O)[C@@](C)(O)c1cccc(Cl)c1Cl 1919077624 ZXLTUQRRMOWRJZ-INIZCTEOSA-N 317.256 5.131 30 10 DKEE N#Cc1cccc(CN(Cc2ccccc2)C2CCCCC2)c1F 1946851622 ONHGEFXCOOYBBW-UHFFFAOYSA-N 322.427 5.032 30 10 DKEE C=CCCCCCCN[C@@H]1CCCC[C@H]1OCc1ccccc1 1977461068 JWBKZUMRLDXGKK-NHCUHLMSSA-N 315.501 5.241 30 10 DKEE CC#CCCCCC(=O)c1ccccc1OCc1ccccc1 1990985220 CPIZLALRAXEOER-UHFFFAOYSA-N 306.405 5.032 30 10 DKEE C=C(C)CN(CC(=O)c1ccc(C(C)C)cc1)Cc1ccccc1 2000884303 BLZBGALSPYAHOC-UHFFFAOYSA-N 321.464 5.071 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(Br)sc2C)CC1 2010763565 KPVFDVVWVVYYCJ-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE CCCCCCC[C@H](NCC)c1snc(Cl)c1Cl 2048325437 ZKYLTNHQCIJPED-JTQLQIEISA-N 309.306 5.461 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2cccc(C)c2Br)C1 2087884050 AWQJSRPSWGHKOF-YOEHRIQHSA-N 320.274 5.410 30 10 DKEE Fc1c(Cl)cc(NCC#CC2CCCCC2)cc1Cl 2093444568 VQOXSZFGSVSCOJ-UHFFFAOYSA-N 300.204 5.128 30 10 DKEE C#CC(C)(C)C[C@H](O)c1ccc(-c2ccccc2Cl)s1 2167610146 ULEGDOTUBVFCAE-AWEZNQCLSA-N 304.842 5.151 30 10 DKEE C#CC[C@H](C)C[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2196718511 HLMWDOWGQDREOJ-SWLSCSKDSA-N 304.842 5.151 30 10 DKEE CCCCCCCC[C@H](O)c1c(Cl)ccc(Cl)c1OC 2204243603 ZDBMGCHQRRVGLL-AWEZNQCLSA-N 319.272 5.786 30 10 DKEE CCCCCCCC[C@@H](O)C(=O)c1ccc(Cl)c(Cl)c1 2207447628 XXEIQMZAOMMXCC-OAHLLOKOSA-N 317.256 5.288 30 10 DKEE Cc1cc(Cl)cc([C@@H](C)Nc2cc(Cl)ccc2C#N)c1 2237994280 FCZFIEBPEBIFAU-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)cc1C 2264359041 GDWORNLXLGDPOC-MRXNPFEDSA-N 303.273 6.086 30 10 DKEE CCCCCCCCC[C@@H](O)c1ncc(C(C)(F)F)s1 2279290219 AUKSPSQMDGUKKM-GFCCVEGCSA-N 305.434 5.429 30 10 DKEE C=CCCCCCCCS[C@H](c1cccs1)[C@@H](N)CC 2287096781 OUKVNLBRYMVHQW-RDJZCZTQSA-N 311.560 5.786 30 10 DKEE C=CCCCCC[C@@H](OCCN)c1cc2cscc2s1 2292900873 XVOWEYZQAOGBOS-CQSZACIVSA-N 309.500 5.116 30 10 DKEE C=CCC(CC=C)S[C@@H](c1cccc(Cl)c1)[C@@H](N)CC 2360198927 QANGQFHPSFRXDW-IRXDYDNUSA-N 309.906 5.372 30 10 DKEE C=CCC(CC=C)N[C@H](c1ccco1)c1ccc(Cl)s1 2360325425 XZLKEXFQNMRPQH-MRXNPFEDSA-N 307.846 5.194 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1ccc(Cl)c(Cl)c1OC 2370492083 RYFZNNCLAYYLJI-HOTGVXAUSA-N 316.272 5.255 30 10 DKEE CC1(C)CC(=O)C=C(/C=C\Nc2cc(Cl)cc(Cl)c2)C1 1391427 IQGCVLZGDLWSQQ-ARJAWSKDSA-N 310.224 5.235 30 10 DKEE N#CCCc1c(C(F)(F)F)nc2c(Cl)cccc2c1Cl 75894128 GGJZRDKIVINPJQ-UHFFFAOYSA-N 319.113 5.017 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cc(F)cc(Br)c2)C1 94004412 VUTVYHCGLXXBSH-MLGOLLRUSA-N 324.237 5.241 30 10 DKEE O=C(/C=C\c1cccs1)c1cc(F)c(Cl)cc1Cl 97475310 YFFSIUQJQFMMNC-ARJAWSKDSA-N 301.169 5.090 30 10 DKEE CCCCCCC[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 103938162 ZQNPGUOZYMFIMS-AWEZNQCLSA-N 302.289 5.484 30 10 DKEE C/C(=C/C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 104882819 FLJFDYPPRAGEJU-LUAWRHEFSA-N 306.192 5.192 30 10 DKEE CCCCCCCCCCC[C@@H](N)Cc1cccc(Cl)c1 115858481 SGOVPSKFLNUPTK-LJQANCHMSA-N 309.925 6.131 30 10 DKEE CCCCCCCC[C@@H](NC)c1sccc1Br 128395377 VNYBURTZPBTJPS-CYBMUJFWSA-N 318.324 5.522 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H]1Cc2ccccc2S1 139565979 UHTDNQNRSJHOON-IEBWSBKVSA-N 305.531 5.432 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cccc(C)c1Br 233123058 LVNLTTHOEYAPGX-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE CCC(=CC(=O)c1c(Cl)cccc1Br)CC 309138939 RDGKUNCYAKEION-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE Cc1cc(Sc2cc(Cl)cc(Cl)c2)c(C#N)c(C)n1 312013960 SMBJKENGZBJQBA-UHFFFAOYSA-N 309.221 5.028 30 10 DKEE CCCCCCCCCCC[C@@H](C)[C@H](O)CCCC(=O)O 334161615 CVBGKXNGRXLHHT-IAGOWNOFSA-N 300.483 5.159 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@](C)(C#N)c1ccccc1 405661441 FUYZDDDOJRTBCN-DYVFJYSZSA-N 314.226 5.034 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)[C@H](C)CC)CC1 698379016 QPDCADIOTODYIQ-GPMSIDNRSA-N 322.493 5.275 30 10 DKEE CCCCCCC[C@@H](NCC)c1oc(C)cc1Br 706261073 PXTIVTLXYOKOJR-CQSZACIVSA-N 316.283 5.362 30 10 DKEE C=C1CCC(CN[C@@H](CC)c2ccc(Br)cc2)CC1 724446431 IJPATUJRJVYKBT-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE C=C1CCC(C[C@H](NC)c2cc(Cl)sc2Cl)CC1 724596020 FLXMWUJANHGALI-LBPRGKRZSA-N 304.286 5.452 30 10 DKEE FC(F)c1ccc2cc(C(F)(F)F)sc2c1C(F)(F)F 725324266 BZQHKQILZGGVMA-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cccc(Br)c1 1879648338 VGINPYNRXIGUOY-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cccc(Cl)c1Cl 1920040787 LVRZUJOYVYDJCE-MRXNPFEDSA-N 303.273 5.952 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CCCCCCCC)NCC 1922081388 XBCASJLNIRIGNV-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccccc2OCc2ccccc2)CC1 1985234867 JZNPUPKMCMXVJR-MRXNPFEDSA-N 306.405 5.195 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cc(Br)cs2)C1 2002994738 WMNGMUAZPFWGED-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE C=C(C)[C@@H]1CC[C@](C)(/C=C/C(C)=O)[C@H]1CC[C@@H](CCC)C(=O)O 2069590136 GVPWFKHKFWXZLJ-OMQGTSKWSA-N 320.473 5.021 30 10 DKEE C=C([C@@H](NCC)c1ccc(C)c(Br)c1C)C(C)(C)C 2107988199 PXBICHZGKWPSCI-MRXNPFEDSA-N 324.306 5.319 30 10 DKEE C=CCCCCCCNCCc1ccc(Cl)c(Cl)c1 2141914449 RKXCXMSGNSALGA-UHFFFAOYSA-N 300.273 5.262 30 10 DKEE C=CCCCCCC[C@]1(N)CCc2ccc(Br)cc21 2141914777 VDZYBKRSBWFSFF-KRWDZBQOSA-N 322.290 5.076 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H](O)c1cscc1Cl 2148578581 LYBZXPUKILSXMO-HOTGVXAUSA-N 317.926 5.293 30 10 DKEE N#C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCC2(CCCC2)C1 2155222763 JZWLGRKOTUCUOH-ZIAGYGMSSA-N 308.252 5.961 30 10 DKEE C#CC[C@@H](C[C@@H](NCCC)c1cc(C)c(Cl)s1)C1CC1 2196852829 DQKZGLUYTNXCHT-LSDHHAIUSA-N 309.906 5.190 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1cc(Cl)ccc1Cl 2197153717 ZYIFBJHPDGNMEK-KRWDZBQOSA-N 306.236 5.357 30 10 DKEE CCCCCCCC[C@H](O)C(=O)c1ccc(Cl)c(Cl)c1 2207447624 XXEIQMZAOMMXCC-HNNXBMFYSA-N 317.256 5.288 30 10 DKEE SC[C@H](CSCCCCCCCC1CC1)CC1CC1 2230868858 AEFVCJMABMJSNB-QGZVFWFLSA-N 300.577 5.816 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234057235 MPXBVUZJZYYOFO-BXUZGUMPSA-N 312.240 5.242 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1cc(Cl)cc(Cl)c1 2240622252 RAOLNOXDMHINIQ-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cocc1Br 2258120747 GDUAQHDLCZIXNA-OAHLLOKOSA-N 316.283 5.443 30 10 DKEE CCCCCCCCCCOc1cc(Cl)sc1CN 2272661594 ZRIGBGJYUVOOGB-UHFFFAOYSA-N 303.899 5.380 30 10 DKEE Cc1ccc(-c2csc(NN=Cc3ccccc3C)n2)c(C)c1 2324080689 PPGYVWSMPFJHMR-UHFFFAOYSA-N 321.449 5.181 30 10 DKEE Cc1ccc(CON=C(c2ccc(C(C)C)cc2)C2CC2)cc1 2330303322 FKKMMWXVAWSRCQ-UHFFFAOYSA-N 307.437 5.449 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(C)c(Br)c(C)c1 2344359060 XFVXNNZXXUFZGI-IAGOWNOFSA-N 324.306 5.319 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1c(Cl)ccc(Cl)c1OC 2344461213 YHKOVWXECRPQSE-HUUCEWRRSA-N 303.229 5.028 30 10 DKEE C=CC[C@H](NCCC)c1c(C)c(C)c(Br)c(C)c1C 2346034968 UOTYQAGTYFRXHD-HNNXBMFYSA-N 324.306 5.300 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(Cl)cc(Cl)c1F 2362233899 AZJYILNARXXOEK-UEKVPHQBSA-N 316.247 5.528 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1cc(Cl)ccc1Cl 2364087716 AZEPLRLFZPCFJZ-KRWDZBQOSA-N 312.284 5.803 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)cc1Cl 2365093311 LYMXRRBHWIVAMD-BLLLJJGKSA-N 310.268 5.084 30 10 DKEE C#CC[C@@H](C)C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366417518 IRSYSJZJWHCAHN-ABAIWWIYSA-N 316.247 5.223 30 10 DKEE CCCCCCCC[C@@H](C)NCc1cc(Cl)cc(Cl)c1 2366818974 OGHIVRISKFFGSE-CQSZACIVSA-N 316.316 6.222 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2377417496 KWKUGZXDWQGRLX-INIZCTEOSA-N 317.231 5.461 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 69381659 NWDRKEBOMYTKHT-CHWSQXEVSA-N 315.404 5.498 30 10 DKEE C/C(=C\CCC(C)C)C(=O)CC[C@@H](C)CCC[C@H](C)CC(=O)O 71404728 MIWRWJAQQDMVLP-FBYAIYFHSA-N 324.505 5.635 30 10 DKEE CCCCCOc1ccc(CCCNc2ccc(C#N)cc2)cc1 76317724 YZDLJOZGYWZAQF-UHFFFAOYSA-N 322.452 5.172 30 10 DKEE CC1(C)CCC(C#N)(Cc2cc(Br)cs2)CC1 87940230 IGCWQUSFCDNTCU-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Cc2ccccc2Br)C1 87972442 WLFFNOHOOVFWAO-XJKSGUPXSA-N 306.247 5.102 30 10 DKEE ClC1=C(/C=N\c2ccccc2)CCC/C1=C\Nc1ccccc1 100060415 OQLQDSZUBLCILN-DBFXCLKPSA-N 322.839 6.062 30 10 DKEE CCCCCCCCCC[C@]1(N)CCC[C@@H](C(F)(F)F)C1 113979106 CBZGXJHGPAUDPU-CVEARBPZSA-N 307.444 5.967 30 10 DKEE CCCCCCCOCc1cc(CNCC(C)C)sc1C 123140965 WANWDWITEXWBEX-UHFFFAOYSA-N 311.535 5.289 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc2cccc(Cl)c2o1 125084025 HJUDMUHTLJNUEB-OAHLLOKOSA-N 308.853 5.341 30 10 DKEE CCCCCCCCCCCC[C@H](NN)c1cscc1C 129545204 FDGGKJCRBIMSLG-SFHVURJKSA-N 310.551 5.872 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Cl)c(O)c(Cl)c1 232393642 YYRZDJBJHBGWJC-LLVKDONJSA-N 304.261 5.860 30 10 DKEE CCCCCCCCC[C@@H](NC)c1scc(C)c1Cl 232928845 NBNYHHFCXIYTPF-CQSZACIVSA-N 301.927 6.111 30 10 DKEE CC[C@H]1CCC[C@H](Nc2cc(Br)ccc2C#N)CC1 234108023 VRXAEYOETHENLF-WFASDCNBSA-N 321.262 5.092 30 10 DKEE C=CCCC[C@H](C)Nc1nc(Cl)nc2sc(CC)cc12 398274594 IWHSROUEBVONIY-JTQLQIEISA-N 309.866 5.064 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cc(Cl)ccc1Cl 686697176 NGSJCYCFRXUPLN-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE CC[C@@H]1CCCCC[C@H]1Nc1ccc(C#N)cc1Br 691073680 IDUNIMUTSOIWAA-UKRRQHHQSA-N 321.262 5.092 30 10 DKEE C[C@H](N(Cc1ccccc1)C[C@@H](C#N)C(C)(C)C)C(C)(C)C 1931998964 RUOVNBYWPAUCSH-FUHWJXTLSA-N 300.490 5.109 30 10 DKEE C=C(COCc1ccccc1)[C@](N)(CC)C1CCC(C)(C)CC1 1975992369 XLAZVDIAEDGTST-OAQYLSRUSA-N 315.501 5.083 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCC[C@@H](C)C1 1980285035 CUMGNTMFWJQFCV-PASDCYSWSA-N 322.493 5.131 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)Cc1csc(Br)c1 2024823190 GGPWZXLBXXFLBQ-AWEZNQCLSA-N 312.276 5.163 30 10 DKEE C=C(C)CC[C@H](C)NCc1c(Cl)ccc(Cl)c1Cl 2035362608 CKXZXCULSWWHFW-JTQLQIEISA-N 306.664 5.481 30 10 DKEE CCC[C@](C)(C#N)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2045998334 RODYRTVAZVVXHI-QWHCGFSZSA-N 306.620 5.010 30 10 DKEE CC=C(CC)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2077136217 LOQUJFDLSYHPPJ-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1cc(-c2cccs2)cs1 2164106508 CGSGCWCHPDVCIC-GUYCJALGSA-N 305.512 5.730 30 10 DKEE C=C(F)C[C@@H](NCC)c1ccc(-c2ccccc2Cl)s1 2182513658 SXMTZHBTSMKUKV-CQSZACIVSA-N 309.837 5.592 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1OC 2203436443 IHBJQWIUXJXUQL-CQSZACIVSA-N 318.288 5.623 30 10 DKEE CCCCCCCC[C@H](O)[C@H](NCC)c1cscc1Cl 2207445012 OCMMZVZDNKSDRY-JKSUJKDBSA-N 317.926 5.164 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)C(C)(C)COC 2211144737 BXWKCKFBJMBKPZ-UHFFFAOYSA-N 317.517 5.440 30 10 DKEE C=C[C@@H](CCCCC)OCc1cc(Br)ccc1F 2223287320 JWDJUWBQWRAHAI-AWEZNQCLSA-N 315.226 5.240 30 10 DKEE C#CCCCC[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2234033505 DVBYHYFLXYRDCP-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE Cc1cc(C)c(C(=O)[C@H](C#N)c2cccc(Cl)c2Cl)s1 2235756704 HPLICZRLQSGOTI-LLVKDONJSA-N 324.232 5.162 30 10 DKEE CC(C)(C)C#CC=CCc1cc(Cl)cc(Cl)c1Cl 2256696632 NQKDETGFEKJBNS-UHFFFAOYSA-N 301.644 5.795 30 10 DKEE CCCCCCCCC[C@](C)(N)c1cc2sccc2s1 2295578559 AAAHIWCCEQPKFK-KRWDZBQOSA-N 309.544 6.277 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1sc(C)c(C)c1Br 2304122369 KOTATALGPANAJE-KBPBESRZSA-N 317.292 5.153 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](N)c1cc(Cl)cc(Cl)c1Cl 2321101672 KZCXPVTXGVFBEA-UONOGXRCSA-N 306.664 5.639 30 10 DKEE C=CC(C)=CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]21C(=O)O 2333273617 VLQWZUQLAWRAFU-FUHIMQAGSA-N 302.458 5.372 30 10 DKEE O=C(C1=CCCCCCC1)c1c(Cl)cc(F)cc1Cl 2340804643 JGORUGHAWDFBLW-UHFFFAOYSA-N 301.188 5.596 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NN)c1cc(Cl)cc(Cl)c1Cl 2344383215 ZQIBNMJGEGCSHR-ZIAGYGMSSA-N 321.679 5.144 30 10 DKEE CCCCCCCCC[C@H](O)c1c(F)ccc(C)c1Cl 2360556873 MCHNWOVMLWUAJO-HNNXBMFYSA-N 300.845 5.962 30 10 DKEE CCCCCCC[C@H](C)NCc1nc(C(F)(F)F)cs1 2360806677 YMTOOIKWPNVBHE-NSHDSACASA-N 308.413 5.001 30 10 DKEE CN[C@H](CC#CC1CCCC1)c1ccc(Cl)c(Cl)c1C 2364406426 HJFHTMIIHBEULZ-MRXNPFEDSA-N 310.268 5.146 30 10 DKEE Cc1cc(C)c2c(C#N)c(Cl)n(CCc3ccccc3)c2c1 71465841 FUCQDMBKMAHUMQ-UHFFFAOYSA-N 308.812 5.026 30 10 DKEE C[C@@H](CCS)CCOc1ccc(Cc2ccccc2)cc1 94584962 JLHGYDHESMDHPR-MRXNPFEDSA-N 300.467 5.002 30 10 DKEE Cc1ccc(C#N)c(Nc2ccc(Cl)c(Br)c2)c1 94670688 JKQWOCDGGVJGKD-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCCCCCCCC(=O)[C@H](C)Oc1cccc(Cl)c1 135411634 SLIBKWBIXNLUDG-HNNXBMFYSA-N 310.865 5.817 30 10 DKEE CCCCCCCCCC[C@@H](O)[C@@H]1CSc2ccccc21 135560144 KJVINHFIINUENI-QZTJIDSGSA-N 306.515 5.768 30 10 DKEE CCc1cc(Oc2cccc(SC)c2C#N)ccc1Cl 136712216 TTXBOQYBZAOMSB-UHFFFAOYSA-N 303.814 5.288 30 10 DKEE CCCCCCCCOc1cc(F)ccc1Br 160269780 OZUAOKPMMWXVMA-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE Fc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1F 254515766 MEWRZCLJKGLLQH-UHFFFAOYSA-N 322.358 5.006 30 10 DKEE CCCCCCCCNc1cccc(C(=O)c2ccccc2)c1 257625466 SWSKPKYZFJLZTI-UHFFFAOYSA-N 309.453 5.690 30 10 DKEE COc1cc(Cl)ccc1OCCCCCCCCCS 398751482 XNGJBOLDNRXRNR-UHFFFAOYSA-N 316.894 5.388 30 10 DKEE Cc1c(Cl)cc(Nc2nc(Cl)c(C#N)s2)cc1Cl 690242177 PVQCEZPKTVCMHG-UHFFFAOYSA-N 318.616 5.027 30 10 DKEE CCC(CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccc(C)cc1 698921994 MJKNVWGSJOXTDP-QGZVFWFLSA-N 316.445 5.065 30 10 DKEE C[C@@](C=O)(CCc1cc(Cl)cc(Cl)c1)c1ccccc1 722137280 DISPTQAAZRCYJC-KRWDZBQOSA-N 307.220 5.083 30 10 DKEE N#Cc1ncc(-c2cc(Cl)cc(Cl)c2Cl)cc1Cl 1848374098 XWUHPZJYJFOEDM-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CC(C)[C@@H](C#N)CN(Cc1ccccc1)[C@@H](C)c1cccs1 1915397449 OFGVFCMSFAIVHN-WMZOPIPTSA-N 312.482 5.107 30 10 DKEE C=C([C@@H](NCCC)c1cscc1Br)C(C)(C)C 1947436273 NBVLXPDCFDXYFP-CYBMUJFWSA-N 316.308 5.154 30 10 DKEE C=CCCCC[C@@H](NC)c1cccc(NC(=O)OC(C)(C)C)c1 1984514517 CFBVFHAQGWUHLE-QGZVFWFLSA-N 318.461 5.041 30 10 DKEE CCCCCCC[C@@H](O)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 1988153480 VDVNNVUMTCXSOB-VQTJNVASSA-N 317.517 5.009 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(Br)cs1 1996465976 FFEZPMGBAYKQFP-RISCZKNCSA-N 316.308 5.154 30 10 DKEE CCCCCCCCC(=O)c1nc(C)sc1Br 2003554253 IZWXBAVMFBVPJR-UHFFFAOYSA-N 318.280 5.147 30 10 DKEE CC(C)(Nc1cc(Br)ccc1C#N)C1CCCCC1 2094160884 MGBGYBDQHFHSHW-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2ccc(Br)cc2)CC1 2100866471 FMNWJYCVYSAZJA-QGZVFWFLSA-N 323.274 5.167 30 10 DKEE C[C@H](Nc1cc(Br)ccc1C#N)C1(C)CCCCC1 2101388364 FQIRYSSICLSZNY-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE C[C@H](c1ccc(Br)cc1)C1(C=O)CCC2(CC2)CC1 2120046181 ACXQKCGCXGPFSH-CYBMUJFWSA-N 321.258 5.092 30 10 DKEE C#CC1CCC(N[C@H](CC)c2ccc(Cl)cc2Cl)CC1 2153351723 DWNXWDBKIOTAQZ-MKTAYPAQSA-N 310.268 5.226 30 10 DKEE C=C([C@H](NCCC)c1ccsc1C(F)(F)F)C(C)(C)C 2157625945 DNAKWOKNLABQLW-LBPRGKRZSA-N 305.409 5.410 30 10 DKEE C=C1CCC(C[C@H](NC)c2ccsc2C(F)(F)F)CC1 2157627078 NVSKAAKBCMQXMK-ZDUSSCGKSA-N 303.393 5.164 30 10 DKEE C=C(F)C[C@@H](NCCC)c1ccc(C(F)(F)F)cc1Cl 2182510709 DKYRDVLMAQAZMJ-CYBMUJFWSA-N 309.734 5.273 30 10 DKEE C=CCCCCCCCCCNc1ccc(Cl)c(Cl)c1 2207414128 MWMGGELZZOLULA-UHFFFAOYSA-N 314.300 6.712 30 10 DKEE C=CCCCCCCC[C@H](N)c1cscc1Br 2214614118 WCLFRFTXVZXLLJ-AWEZNQCLSA-N 316.308 5.427 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cccc(C)c1Br 2227291029 NBCVMXDEVFSQPZ-MRXNPFEDSA-N 324.306 5.674 30 10 DKEE C=C(C)CCCC[C@H](N)c1cccc(NC(=O)OC(C)(C)C)c1 2244624361 TVYIBZIVIUCGFO-KRWDZBQOSA-N 318.461 5.170 30 10 DKEE CCCCCCCC[C@](C)(O)c1ncc(C(C)(F)F)s1 2279240662 VTUVEEYTQVZVGE-AWEZNQCLSA-N 305.434 5.213 30 10 DKEE CC(C)(C)C#CC=CC[C@@](C)(N)c1cc(Cl)ccc1Cl 2284108040 RWAHLLLJWNRQFQ-QGZVFWFLSA-N 310.268 5.163 30 10 DKEE Cc1ccc(C(=O)C=COc2cc(C)c(Cl)c(C)c2)cc1 2297535741 ZDOTZAFVDOYVPF-UHFFFAOYSA-N 300.785 5.041 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1c(Cl)cccc1Br 2304032274 HAEPVINFIIHYEH-KGLIPLIRSA-N 316.670 5.095 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(Cl)sc(Cl)c1C 2336097671 CGHJYFYOCJODNY-GFCCVEGCSA-N 322.345 6.504 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2344339046 FUXMDOQUIFQSCF-HNNXBMFYSA-N 300.273 5.555 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCC1)c1ccc(Cl)cc1Cl 37346193 ARHYOPAHJIXEFC-CQSZACIVSA-N 310.224 5.140 30 10 DKEE N#C[C@@H](C(=O)c1c(Cl)cccc1Cl)c1ccccc1Cl 44268494 BSRWJYJLXDUDCL-SNVBAGLBSA-N 324.594 5.137 30 10 DKEE Cc1ccc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)c(C)c1 50038991 DWNFIPGOMQXHSV-CQSZACIVSA-N 318.203 5.100 30 10 DKEE CCCCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 62167835 BTMWUUKSIQBWCC-XNTDXEJSSA-N 308.421 5.460 30 10 DKEE CC(C)Sc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1 83193119 HJQQTYURZHJTEE-FMIVXFBMSA-N 321.445 5.565 30 10 DKEE CCCCCCCCCCCCN[C@H](C)Cc1cccs1 110169925 RFXFAEMJFATKJB-GOSISDBHSA-N 309.563 6.190 30 10 DKEE C=CC[C@H](CCCCCCC)O[C@@H](CC=C)CCCCCCC 114184566 SABMUAGPYXBHDI-SZPZYZBQSA-N 322.577 7.613 30 10 DKEE CCCCCCCCCC[C@H](CSC(C)(C)C)NCCC 115645089 YAUMOZKDXDEBBC-GOSISDBHSA-N 315.611 6.417 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccc(Cl)cc1F 126210788 LPMGDNBVZUJILJ-QGZVFWFLSA-N 314.876 5.514 30 10 DKEE CCCCCCCC[C@H](N)Cc1cc(Cl)ccc1Cl 167049876 XCOIBIUMHKTZFU-HNNXBMFYSA-N 302.289 5.614 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cccc(C)c1Br 233102522 RQGSBQSXRNQXJA-HNNXBMFYSA-N 310.279 5.155 30 10 DKEE Cc1ccc(S[C@@H]2C[C@@H](C(C)(C)C)CC[C@H]2C#N)cc1C 252435362 JLSVFLACVCLHHH-XYJFISCASA-N 301.499 5.750 30 10 DKEE CCOc1ccc2ccccc2c1C=Nc1ccccc1CC 254666741 DBKSVRIKOVLFNZ-UHFFFAOYSA-N 303.405 5.552 30 10 DKEE CCCCCCCCN(Cc1ccc(F)cc1)c1ccccn1 257654219 UEQLEPJKTGUNHE-UHFFFAOYSA-N 314.448 5.588 30 10 DKEE CCCCCCCC[C@@]1(C#N)CCCN1C(=O)OC(C)(C)C 309887474 LPPUFQJFDJXQHW-SFHVURJKSA-N 308.466 5.030 30 10 DKEE N#C[C@H](Nc1ccccc1Br)C1CCCCCCC1 311284003 QLIGJKPSIBXJOI-INIZCTEOSA-N 321.262 5.114 30 10 DKEE C=CCCCCCCN[C@@H]1CCc2cc(Br)ccc21 312076290 QIFFXNSYUXUKOO-QGZVFWFLSA-N 322.290 5.163 30 10 DKEE CCC[C@@H](Nc1ccc(C#N)c(Br)c1)C1CCCC1 313412589 PVESUOMBERAZDK-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCCN[C@H](C)COCc1ccccc1 390530489 LRSDOVKKKOXNAI-LJQANCHMSA-N 305.506 5.322 30 10 DKEE CCc1ccc(Nc2cccc(SC)c2C#N)cc1Cl 691234283 VIVXBNZSBJOVOA-UHFFFAOYSA-N 302.830 5.240 30 10 DKEE CCCCCCCCCCNCc1cc2cscc2s1 693938985 JSLQVEIPJBEWDR-UHFFFAOYSA-N 309.544 6.193 30 10 DKEE CCCCCC[C@@](C)(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698818361 YCUSWXLZAKHWEW-SFHVURJKSA-N 310.482 5.132 30 10 DKEE CCC(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698857424 SQGRNIBAQDAYHH-MRXNPFEDSA-N 322.493 5.275 30 10 DKEE C=C(Cl)C[C@@H](Cc1ccc(Cl)cc1Cl)NCCC 710592971 VADDUUDWXXLAHL-ZDUSSCGKSA-N 306.664 5.047 30 10 DKEE C=C1CCC(CN[C@H](C)c2cc(Cl)sc2Cl)CC1 724440865 LOCMZKAPJVPMKH-SNVBAGLBSA-N 304.286 5.452 30 10 DKEE CC#CCCCC[C@H](NCCC)c1snc(Cl)c1Cl 1885245654 WKCSTJIHFCVQOY-NSHDSACASA-N 319.301 5.074 30 10 DKEE C=C(c1ccccc1)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1888711444 JGICPEUAKYSLGE-OAHLLOKOSA-N 313.611 5.394 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@H](C)C(=O)O 1902400219 SBMOPEKJUKUHQJ-GOSISDBHSA-N 319.489 5.102 30 10 DKEE C=CCCCCC[C@H](O)c1cc(Br)c(Cl)s1 1981400720 BBMIYPYCBRTIAF-JTQLQIEISA-N 323.683 5.334 30 10 DKEE C(#CC1CCCCC1)CN(Cc1ccccc1)CC1CCCCC1 1995829959 BKRCADYFXLJFFG-UHFFFAOYSA-N 323.524 5.653 30 10 DKEE CC#CCCCC[C@@H](NC)c1ccccc1OCc1ccccc1 2019498174 NEIIQFLDISSWCA-OAQYLSRUSA-N 321.464 5.110 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1cccc(C)c1CNC(C)C 2020024141 RRPBDHXDICQGND-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE CCCCC[C@@H](CC)Nc1ccc(Br)cc1C#N 2073350238 KHGPNFMLJHSCCZ-CQSZACIVSA-N 309.251 5.092 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2cc(Cl)sc2Cl)C1 2112230864 GMGLFOHVZRMXLH-RISCZKNCSA-N 318.269 5.198 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(C(F)(F)F)cs1 2161225897 PJGUWWAMHDPWNC-CYBMUJFWSA-N 307.425 5.907 30 10 DKEE N#Cc1ccc(Cl)c(NC2CC[Si]3(CCCC3)CC2)c1 2161347128 IPRDXJSLBFYNIZ-UHFFFAOYSA-N 304.897 5.029 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2203425845 LIYRMHABVIQJGZ-BXUZGUMPSA-N 316.272 5.255 30 10 DKEE C=CCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2203425919 LWVFHULXFVZNMN-CQSZACIVSA-N 316.272 5.399 30 10 DKEE C=CCCCCCCCCCNCC[C@@H](C)P(C)(C)=O 2207433801 BACFDHSXZUEUNB-QGZVFWFLSA-N 301.455 5.284 30 10 DKEE C=CCCCCCCC[C@H](CCOCc1ccccc1)NCC 2211145411 KGSOSIUWADVLJP-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE C=C(C(=O)c1sc(Br)c(C)c1C)c1ccccc1 2254680201 RXHUTESSEYJJQQ-UHFFFAOYSA-N 321.239 5.024 30 10 DKEE CCCCC#CC[C@@H](N)c1cc(Br)cc(C(C)C)c1 2265945291 NLSGDGBWEXIYAX-QGZVFWFLSA-N 322.290 5.156 30 10 DKEE C=CCC1(NCc2sc(C(F)(F)F)cc2C)CCCC1 2295051554 HNIGOGRYPHRGHV-UHFFFAOYSA-N 303.393 5.054 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1cc(C)c(Cl)s1 2295678381 HSMQBGWYIIYLNI-OAHLLOKOSA-N 315.954 6.329 30 10 DKEE C=CCC(CC=C)SC[C@@H](N)c1cccc(Cl)c1Cl 2335095823 GHSKRPWVIXFBGR-CQSZACIVSA-N 316.297 5.247 30 10 DKEE C=C(C)CCCCC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1C 2366103293 XAZWNNQWDZMGFT-MRXNPFEDSA-N 315.240 5.041 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1cc(Cl)ccc1Cl)NCC 2370483414 TYLNSUTUAWSICL-DLBZAZTESA-N 314.300 5.506 30 10 DKEE CN(C(=N)Nc1cccc2ccccc12)c1cccc(N=[N+]=[N-])c1 13733836 ZXJRJDHOPCFNGZ-UHFFFAOYSA-N 316.368 5.265 30 10 DKEE CCCCCCCCN[C@H](C)c1ccccc1Br 59134390 OXYWBTXYVDBQGI-CQSZACIVSA-N 312.295 5.460 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)CC1 91884096 WGTFUXLDFCGMOI-CQSZACIVSA-N 312.240 5.137 30 10 DKEE CCCCCCCOc1ccc([C@@H](C)NCC(C)(C)C)cc1 100047768 JIOBKGLYCFWTHR-QGZVFWFLSA-N 305.506 5.733 30 10 DKEE C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(C#N)cc1Cl 110258549 GGADNVZJRLPAQT-NSHDSACASA-N 305.208 5.062 30 10 DKEE CCCCCCCCCCC[C@H](Cc1cccs1)NCC 115858453 WXQQDBMSVMTPAZ-GOSISDBHSA-N 309.563 6.190 30 10 DKEE CCCCCCCCCCCCC(CO)(CO)CC(C)C 118869825 NWIGHEIFLXMJJG-UHFFFAOYSA-N 300.527 5.315 30 10 DKEE C[C@@H](Nc1cc(Cl)ccc1C#N)c1cc2ccccc2s1 126443622 RAQANYWOAWTEOK-LLVKDONJSA-N 312.825 5.599 30 10 DKEE C=C1c2c(C)c(OCc3ccccc3)c(C)c(C)c2OC1(C)C 136626101 HWCAOECSMCMPEE-UHFFFAOYSA-N 308.421 5.375 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc2sccc2s1 157918537 PCYZQBYCIDMXRB-OAHLLOKOSA-N 323.571 6.754 30 10 DKEE CCC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(C(C)C)cc2)C1 222247604 PPODESDLAOGLOD-SUMDDJOVSA-N 301.499 6.011 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Br)ccc1Cl 229738215 BEVJQJLHNVSPLB-AWEZNQCLSA-N 316.670 5.109 30 10 DKEE SC[C@H](CSCc1ccccc1Cl)c1ccccc1 236584485 DOBBLPYVDTWSNS-OAHLLOKOSA-N 308.899 5.287 30 10 DKEE Cc1ccc(Cl)cc1N=C/C=C(\O)c1ccc(Cl)cc1 263627742 LPWYCEYJTHYTER-BRPHMDMWSA-N 306.192 5.603 30 10 DKEE Cc1cc(SC[C@H](CS)C(C)(C)C)nc2ccccc12 312358710 YWBSHMNUJUCKNU-ZDUSSCGKSA-N 305.512 5.227 30 10 DKEE CC(C)(C)C[C@@H]1CSC(=Nc2ccc(Cl)c(Cl)c2)N1 393445409 RYHSJAMCPBGNSO-SNVBAGLBSA-N 317.285 5.122 30 10 DKEE C=CC[C@H](CC)N[C@@H](C)c1ccc(Br)cc1Cl 393795014 OKNQPFOQTYFMKX-JQWIXIFHSA-N 316.670 5.108 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C1CCC(C)(C)CC1 698376695 MDPGCFHNLUUAAH-GOEBONIOSA-N 322.493 5.131 30 10 DKEE C(=Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1 1084351040 NYNYOUSWBRRYKY-UHFFFAOYSA-N 323.395 6.383 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 1874608988 RHQJCGVZZUREJT-FMIVXFBMSA-N 312.796 5.191 30 10 DKEE N#CC1(Cc2cc(Cl)cc(Cl)c2)C[C@@H]2CC[C@H](C1)S2 1893170626 TXKGTIXIPBCKHI-YIONKMFJSA-N 312.265 5.104 30 10 DKEE CCCCCCC[C@@](C)(N)c1cccc(Br)c1F 1919506349 AHAOWEIAFBVEOG-OAHLLOKOSA-N 316.258 5.123 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(Br)s1 1920164258 QTIDTHOEMHFBAF-CYBMUJFWSA-N 304.297 5.045 30 10 DKEE SC[C@@H](CSc1ccc(Cl)cc1Cl)C1CCC1 1942145119 CQBRLDODFKCOTN-JTQLQIEISA-N 307.311 5.432 30 10 DKEE CCCCCCC[C@H](N)c1cc(Br)sc1CC 1943023332 ADVYODSKOGTJRP-LBPRGKRZSA-N 318.324 5.433 30 10 DKEE CCCCCCC[C@@H](NC)c1scc(C)c1Br 1950854575 CAOMQUILPVQERX-GFCCVEGCSA-N 318.324 5.440 30 10 DKEE CCCCCCC[C@]1(N)CC[C@@H](C)C[C@@H]1OCc1ccccc1 1977490523 PBPQTSYQFCCIAK-GIVPXCGWSA-N 317.517 5.450 30 10 DKEE C=C(F)C[C@H](NCCC)c1cccc(OCc2ccccc2)c1 1985704406 DNWLKJOUCYCVHQ-FQEVSTJZSA-N 313.416 5.180 30 10 DKEE C=C(Br)CCOc1cc(C(C)C)c(Cl)cc1C 1999698289 MSVLWACZAMRTHM-UHFFFAOYSA-N 317.654 5.449 30 10 DKEE C=CCCCCC[C@@H](NC)c1sc(Br)cc1C 2000341967 LEIXPEKIAJFANT-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE C=CCCCC[C@@H](NC)c1ccc(Cl)cc1Br 2009491154 CBZXJHBPEKQZRZ-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCCN1CCc2ccc(Br)cc2C1 2093519785 YCITUBWZOZWCDK-UHFFFAOYSA-N 324.306 5.168 30 10 DKEE C=CCCCCCC(=O)COc1ccc(Cl)cc1Cl 2096135632 FDZQTPDWZLHKRP-UHFFFAOYSA-N 301.213 5.078 30 10 DKEE C=C(C)CC[C@@H](C)NC1CC(c2cccc(Br)c2)C1 2096547452 VXNKWUSWRLHEEZ-BZOOQXSSSA-N 322.290 5.030 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2099887302 FNTMBLYDKZUWAG-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(C)ccc1Br 2141905509 MCGHXIOXVZMFDH-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179259303 NBENWOHKLCQUNW-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2c(Cl)cccc2Cl)CC1 2181636331 FZRZGYNGIHLAOR-GFCCVEGCSA-N 311.252 5.949 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2cc3cscc3s2)CC1 2181642016 LMFWFOGACIVERC-ZDUSSCGKSA-N 304.480 5.918 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1cc(Cl)cc(Cl)c1)C1CC1 2196846699 BOFLWZCNWGCVGS-SUMWQHHRSA-N 310.268 5.084 30 10 DKEE CCCCCC#CC[C@@H](NC)c1csc(C(F)(F)F)c1 2203791880 NMTXLCKZBXBBEB-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1scnc1Cl 2207396905 PBGLHYYSTPNKHQ-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE C=C[C@H](CCCCC)OCc1cc(Br)ccc1F 2223287325 JWDJUWBQWRAHAI-CQSZACIVSA-N 315.226 5.240 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(Cl)cncc1Cl 2227267800 JWMFUNDOIKSJEP-AWEZNQCLSA-N 301.261 5.305 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1scc(Cl)c1Cl 2227289526 VPGHXNKWDVLOSK-CYBMUJFWSA-N 320.329 6.232 30 10 DKEE CCCCCCC[C@@H](NCC)c1nc(C(F)(F)F)cs1 2234788680 CRGZCPFUTYGUJQ-LLVKDONJSA-N 308.413 5.173 30 10 DKEE CCCCCCCCCC(=O)c1nc(C(F)(F)F)cs1 2234802031 OSBDPBNCHRJBGJ-UHFFFAOYSA-N 307.381 5.485 30 10 DKEE C=C(C)CCCC[C@@H](NC)c1cc(C)c(Br)s1 2250147340 GNDCSPOUCUDNBI-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE C=C[C@@H](C)CCN[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2260239961 GCMONOPHFYLEBG-NXEZZACHSA-N 306.664 5.510 30 10 DKEE C=CCC(CC=C)Cc1ccc(Br)c(F)c1F 2301044807 VFVVMEWTPOVYFN-UHFFFAOYSA-N 301.174 5.038 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1cccc(Br)c1Cl 2304086522 QWFFEQZNNSKSRH-CQSZACIVSA-N 315.638 5.278 30 10 DKEE CCCCCCCCCCNC(=O)C=Cc1cccc(Cl)c1 2327470908 SKTHGTNUWHRXEZ-UHFFFAOYSA-N 321.892 5.610 30 10 DKEE CCCCCCCCNC(=O)C=Cc1ccc(C(C)(C)C)cc1 2327476164 PVGHSLXKRFBWEP-UHFFFAOYSA-N 315.501 5.474 30 10 DKEE N#Cc1cccc(Br)c1NCCCC1=CCCCC1 2341092871 DOYHTKCLMOAMMH-UHFFFAOYSA-N 319.246 5.013 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(Cl)c(C(F)F)s1 2345141153 RYEFVRWRLNMUCC-GFCCVEGCSA-N 307.837 5.592 30 10 DKEE CCCCCCC[C@@H](N)[C@H](O)c1ccc(Cl)c(Cl)c1C 2365972198 YNTFWBOVESPTHV-GDBMZVCRSA-N 318.288 5.023 30 10 DKEE CCCCCCCCCCOCC1(CS)CC(C)(C)C1 2371100508 MBJHUTJZMOUCJF-UHFFFAOYSA-N 300.552 5.880 30 10 DKEE N#C[C@H](C(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1Cl 44268638 FNWPFWIVYGYZCG-ZDUSSCGKSA-N 324.594 5.137 30 10 DKEE CCCCCCCC[C@H](CC)c1ccc(S(=O)(=O)O)cc1 59213674 CNJFYVRWZHJOEI-HNNXBMFYSA-N 312.475 5.178 30 10 DKEE CCCCCOc1ccc(/C=N/Nc2ccc(C)c(C)c2)cc1 82252471 BIABTJXWERSMOF-RCCKNPSSSA-N 310.441 5.318 30 10 DKEE Cc1cccc(/N=C\c2ccc(/C=N/c3cccc(C)c3)cc2)c1 106056959 NXPCFNXVTJNYCN-REPVBDINSA-N 312.416 5.805 30 10 DKEE C=C(Cl)COc1c(Cl)cc(Cl)cc1CNC(C)(C)C 110099678 JPAZPDZYNLDNCT-UHFFFAOYSA-N 322.663 5.013 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc2sccc2s1 157898306 ABKZZRSCWJHAJP-CQSZACIVSA-N 309.544 6.364 30 10 DKEE CCCCC#CCCCCCCCCCCO[C@H]1CCCCO1 196769217 QXJIYZDQFVIKOD-OAQYLSRUSA-N 322.533 6.234 30 10 DKEE N#Cc1cccc(CSc2ccc(Cl)c(Cl)c2)c1F 222345151 CROMFPJYMGNNTO-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE Cc1ccc(Br)cc1Oc1cc(Cl)ccc1C#N 228333711 IRUMTCGPCLZXRS-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCC[C@@H]1CNc2c(Br)cc(F)cc21 232930780 VXMARYGWLIHGMK-LLVKDONJSA-N 314.242 5.458 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1ccc(Br)cc1 232936735 RMKAFNGRUFSEES-MRXNPFEDSA-N 313.279 5.103 30 10 DKEE CCCCCCCCC[C@H]1CNc2ccc(Br)cc21 232945052 CFTSTRDUCFBUJU-AWEZNQCLSA-N 324.306 6.099 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(Cl)c(Cl)c1 387466221 SMFOAJZFIKWTEY-ZDUSSCGKSA-N 300.273 5.116 30 10 DKEE C=CCCC[C@H](C)NC1CC(c2ccccc2Br)C1 398163540 IVWFRSXEVOKVBY-NFOMZHRRSA-N 322.290 5.030 30 10 DKEE CCCC(CS)(CCC)CN(C)C[C@@H](C)CC(F)(F)F 402539243 ZWGNGZDPEOXBIQ-ZDUSSCGKSA-N 313.473 5.023 30 10 DKEE C=CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(Cl)ccc1Cl 692240824 QSDVWPRXDKUWMV-AHIWAGSCSA-N 312.284 5.779 30 10 DKEE C=CCCSCCN[C@@H](C)c1cc(Cl)sc1Cl 696099329 KVBDLXDTTPRFND-VIFPVBQESA-N 310.315 5.015 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](C(C)(C)C)CC1 698971054 XXKAWSZLUKMRBG-HNAYVOBHSA-N 322.493 5.132 30 10 DKEE CCCCCCCCN1Cc2cccc(Br)c2C1 713217262 WTVKQTFYFLMBIY-UHFFFAOYSA-N 310.279 5.125 30 10 DKEE CCCCCCCOc1ccc(NC(=O)CCC(C)C)cc1 1860161630 XWOLTFLACNINML-UHFFFAOYSA-N 305.462 5.411 30 10 DKEE C=C(C)CN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 1892438663 BOUHKSGIKAFLIA-UHFFFAOYSA-N 320.263 5.572 30 10 DKEE CC(C)C[C@@H](CS)CN(Cc1ccccc1)C1CCCC1 1893838905 FIYWPLMZIXOORI-GOSISDBHSA-N 305.531 5.023 30 10 DKEE N#C[C@@H](CN(Cc1ccccc1)Cc1ccco1)C1CCCCC1 1915088151 GUDLVNQMRXPSGI-FQEVSTJZSA-N 322.452 5.002 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C#N)CCCC12CCC2 1921631889 CGWGPHDEFPKEEB-DYVFJYSZSA-N 318.258 5.417 30 10 DKEE CSc1cccc(N(Cc2ccccc2)C(C)(C)C)c1C#N 1931996116 FLESQRSYEYKMCB-UHFFFAOYSA-N 310.466 5.085 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 1935502972 MIISRSIGNASENG-UHFFFAOYSA-N 314.384 5.162 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)C1(C)CCCCCC1 1978563493 NAYOBRVIOVGNMI-FQEVSTJZSA-N 315.501 5.098 30 10 DKEE CCc1ccc(C#N)c(N(Cc2ccccc2)C2CCCC2)c1 1988049036 PSKJLKHYECOPFZ-UHFFFAOYSA-N 304.437 5.070 30 10 DKEE C=C1C[C@@H]1C[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045721950 QWPFUXHQRFGWJV-BXKDBHETSA-N 304.648 5.264 30 10 DKEE C=C1C[C@@H]1C[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045721953 QWPFUXHQRFGWJV-SKDRFNHKSA-N 304.648 5.264 30 10 DKEE CCCCCCCCCC[C@@H](N)c1cc(C)c(Cl)s1 2108228980 CLTZYJZWNCPREI-CQSZACIVSA-N 301.927 6.241 30 10 DKEE C=CC1(Nc2cc(C(F)(F)F)cc(Cl)n2)CCCCC1 2178141129 XZDGVNNIRAEWFM-UHFFFAOYSA-N 304.743 5.055 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)Cc2ccc(Cl)cc2Cl)CC1 2181668348 KKMPCHSZKUBONA-LBPRGKRZSA-N 311.252 5.488 30 10 DKEE CCCCCCCCCCCC[C@@H]1CCSCC[C@H]1O 2181693734 IFCNHSHLEMJQMM-QZTJIDSGSA-N 300.552 5.802 30 10 DKEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CCCCC1 2203801301 DEJJVUAEHWEJTL-YVEFUNNKSA-N 310.268 5.226 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1nc(Cl)cs1 2235518993 LVWIVNQGWPXPGT-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE CCCCCCCCCOc1nc(Cl)c([C@@H](C)NC)s1 2239490206 OWUULQHPPYEYKW-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE CCCCCCC[C@H](NCC)c1cocc1Br 2249426590 VDPWMSRHFLGRAT-AWEZNQCLSA-N 302.256 5.053 30 10 DKEE CCCCCCCCCOc1nc(Cl)nc(Cl)c1F 2265670042 YMFPSXMPDDRUHF-UHFFFAOYSA-N 309.212 5.052 30 10 DKEE C=CC1(C[C@H](NC)c2cc(Cl)c(OC)cc2Cl)CCC1 2281534939 BABCDAYQXZKQHH-AWEZNQCLSA-N 314.256 5.009 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1[C@H](C)N 2287077728 FIBZCFAGQNLKSK-AWEZNQCLSA-N 311.922 5.978 30 10 DKEE C=CCC[C@@H](C)[C@@H](OCCCN)c1cc(Cl)cc(Cl)c1 2293143087 VUKBHVGUQXARIH-MLGOLLRUSA-N 316.272 5.002 30 10 DKEE Cn1c2ccccc2c2cc(C=CC(=O)c3ccccc3)ccc21 2297332248 KQNFNMPCJUBMDQ-UHFFFAOYSA-N 311.384 5.228 30 10 DKEE C[C@H]1CC[C@H](CSc2ccc(C#N)c(Br)c2)CC1 2313831073 CWWKHZSINQDEHN-HAQNSBGRSA-N 324.287 5.239 30 10 DKEE CCC(=NOCc1cccc2ccccc12)c1ccc(F)cc1 2330252665 CXBLAHJGAHQZON-UHFFFAOYSA-N 307.368 5.310 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1cc(F)ccc1F 2330492235 CSAPUPMGOCNHRN-UHFFFAOYSA-N 317.379 5.203 30 10 DKEE C=C[C@](C)(CNCCC)Cc1ccc(Cl)c(Cl)c1C 2338706199 VFKYEQBEMXBJJI-INIZCTEOSA-N 300.273 5.036 30 10 DKEE Cc1c(F)ccc(COCCCCCCCS)c1Cl 2339383292 FBTFERMFJICAPW-UHFFFAOYSA-N 304.858 5.184 30 10 DKEE CC1(C)CC(CS)(CSc2ccc(C(C)(C)C)cc2)C1 2371134113 SEDWZSDDUYAJKI-UHFFFAOYSA-N 308.556 5.812 30 10 DKEE C/C(=N\O)c1cc(C)ccc1OCc1ccc(Cl)c(Cl)c1 35629206 RZPXEAPWOACOPJ-YBFXNURJSA-N 324.207 5.079 30 10 DKEE N#C[C@H](C(=O)c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 50039251 RALPHCYYBOQQRK-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE CCCCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1OC 62166019 BSMWMLHRXBHNTP-ACCUITESSA-N 324.420 5.160 30 10 DKEE Cc1ccc(SCc2nc(C(C)C)c(CS)s2)cc1 82430139 MMADSKDZQHHXPM-UHFFFAOYSA-N 309.525 5.297 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cc(C)c(C)cc2Cl)cc1 83204306 VSLZKKYAYTWDJA-JXMROGBWSA-N 314.812 5.252 30 10 DKEE CCCC(CS)(CCC)CSc1ccc(Cl)cn1 94589691 WMFCTTMLJUUZJO-UHFFFAOYSA-N 303.924 5.344 30 10 DKEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1cc(Cl)cc(Cl)c1)C2 100892340 LIZWXXKANSQNTB-APPDUMDISA-N 324.251 5.314 30 10 DKEE CCCCCCCCNCc1cc(Cl)c(OC)c(Cl)c1 104465797 FDHMSPUFUYAIJT-UHFFFAOYSA-N 318.288 5.452 30 10 DKEE CCC#C[C@H](C)[C@H](C)c1cc(C(C)(C)C)ccc1OCCC 107602256 GDZULVNDYVSIOH-IRXDYDNUSA-N 300.486 5.926 30 10 DKEE CCC(C)(C)C1CCC(Nc2cc(Cl)ccc2C#N)CC1 109788198 ZWPOXCDKLJZCCI-UHFFFAOYSA-N 304.865 5.619 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(F)cc1Cl 109900783 TZKPCGFTRVVFMJ-LBPRGKRZSA-N 321.848 5.930 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(Cl)sc1Cl 110217112 GEYFHHFSQRGDLO-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE N#Cc1ccc(Cl)c(NCc2ccc(Cl)cc2Cl)c1 125729284 LITOOSPQMDQSPD-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1ccc(Cl)cn1 129590902 FXQUCBSEDWKQGP-QGZVFWFLSA-N 310.913 5.916 30 10 DKEE CCCCCCCOc1cccc(Cl)c1CNCC(C)C 131189652 PFKTUWBBBVTXHY-UHFFFAOYSA-N 311.897 5.435 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc(F)c(Cl)cc1F 158928647 CMMAIXMEDSNRDI-KRWDZBQOSA-N 317.851 6.019 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1csc2ccccc12 167837669 FEOQSOMUHWJIFS-QGZVFWFLSA-N 304.499 5.945 30 10 DKEE c1ccc(N=C2S/C(=N\C3CCCC3)C3=C2CCCC3)cc1 252612957 IXUZGNMUJYCDGP-ZAQCFQLDSA-N 310.466 5.675 30 10 DKEE O=[N+]([O-])c1ccccc1C=Nc1ccc(Oc2ccccc2)cc1 257354325 XBQGCRITMKGJTI-UHFFFAOYSA-N 318.332 5.138 30 10 DKEE CC(C)CCCCC[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 383367525 IIZYMLDSBJSLAT-IBGZPJMESA-N 322.493 5.276 30 10 DKEE CCCCCCCCOC[C@H](N)c1c(Cl)cccc1Cl 708914280 LRERAINBSZYQHT-HNNXBMFYSA-N 318.288 5.370 30 10 DKEE N#CCc1ccc(Cl)c2scc(SC(F)(F)F)c12 725286277 MABKHRKXFSLMOW-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE CCCCCCCC[C@](C)(C(=O)O)N(CC)Cc1ccccc1 1904147049 VGMPGDSVCCUAKY-HXUWFJFHSA-N 319.489 5.102 30 10 DKEE CCCCCCC[C@@]1(N)CCCC[C@H]1OCc1ccccc1 1959268503 WMEUYGJCXUYNDV-WOJBJXKFSA-N 303.490 5.204 30 10 DKEE CCCCCCCN(Cc1ccccc1)[C@H](C)c1cccs1 1961649013 RJQIMJPRZVSHSY-GOSISDBHSA-N 315.526 6.282 30 10 DKEE C=CCCCCCCN(Cc1ccccc1)CC1CCOCC1 1995180746 VSOJLJIBNLPTIN-UHFFFAOYSA-N 315.501 5.052 30 10 DKEE C=CCCCCCCCCCN(Cc1ccccc1)C(C)(C)C 1995319740 NZSXAPXQBGGSDW-UHFFFAOYSA-N 315.545 6.594 30 10 DKEE C=C(CO[C@](C)(CC)CCC=C(C)C)B1OC(C)(C)C(C)(C)O1 2021158743 HVEOXLHLCUPDBJ-LJQANCHMSA-N 322.298 5.106 30 10 DKEE C=CCCCCCCC(=O)c1cccc(Br)c1C 2085848071 WBIRPXQACAVFFY-UHFFFAOYSA-N 309.247 5.467 30 10 DKEE CC(C)(Nc1ccc(C#N)c(Br)c1)C1CCCCC1 2094159848 BYULVZHRPAXRSF-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE C[C@H]1CC([C@H](C#N)c2ccc(Br)cc2F)C[C@H](C)C1 2141242527 PXUOIBPRATXDGX-HFAKWTLXSA-N 324.237 5.268 30 10 DKEE N#Cc1ccc(SCc2ccc(Cl)o2)cc1C(F)(F)F 2145640546 AVVFUSACADODOL-UHFFFAOYSA-N 317.719 5.116 30 10 DKEE CC(C)CCCCCCN=C1N[C@H](c2ccsc2)CS1 2175632447 UYPZLUGFJKZSHD-HNNXBMFYSA-N 310.532 5.088 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Cl)c(F)cc1F 2179365879 UUBIECUXIQNVCU-ZBEGNZNMSA-N 301.808 5.261 30 10 DKEE C=C([C@@H](NCCC)[C@@]1(C)CCCC(F)(F)C1)[Si](C)(C)C 2188666608 PDJZABCFIBIFFH-CABCVRRESA-N 303.513 5.004 30 10 DKEE C=CCCCCCC[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 2206989865 LDFZETBFOPRKFE-KRWDZBQOSA-N 315.284 6.118 30 10 DKEE C=CCCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1 2227273997 UAKDQEYQRVIFIJ-INIZCTEOSA-N 301.257 5.944 30 10 DKEE C=C1CCC(C[C@H](Cc2cccc(Cl)c2Cl)NC)CC1 2235757638 SRCJRPOKBYTZTJ-OAHLLOKOSA-N 312.284 5.260 30 10 DKEE C=CC1(C[C@@H](O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1 2236309060 CFUZZVBMGUWOIL-CYBMUJFWSA-N 304.739 5.139 30 10 DKEE CCCCCCC[C@H](OCCCN)c1cscc1Cl 2276741511 ZZZBIXBXHHMNBT-HNNXBMFYSA-N 303.899 5.169 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@@H](SCCC(C)(F)F)C1 2283694383 AANHJSAKBOJVLB-MJBXVCDLSA-N 303.462 5.510 30 10 DKEE CCCCCCCCCCCOc1cc(Cl)sc1C=O 2288276379 LANQWFNBBSDXQN-UHFFFAOYSA-N 316.894 6.124 30 10 DKEE Cc1cc(C)c(O)c(C(=O)C=Cc2ccc(Cl)cc2Cl)c1 2293198209 IZKCPVCPBZUICR-UHFFFAOYSA-N 321.203 5.212 30 10 DKEE C=CCC(CC=C)Nc1cc(Br)c(Cl)cc1F 2301051827 ZMJWZIRLICQNRP-UHFFFAOYSA-N 318.617 5.174 30 10 DKEE CS[C@H]1CCN(CCCCCCCCCS)C2(CC2)C1 2360572741 WCDSNGKZHPYHLE-INIZCTEOSA-N 315.592 5.007 30 10 DKEE CCCCCCCC[C@@H](CC)c1ccc(S(=O)(=O)O)cc1 59213673 CNJFYVRWZHJOEI-OAHLLOKOSA-N 312.475 5.178 30 10 DKEE CCC1CCC(C#N)(Cc2cc(F)ccc2Br)CC1 87933699 RHHVKYCRABJZOE-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CCCCCCCCCCCC(=O)NCc1ccc(OC)cc1 103185042 WDHAJWLGETWVKJ-UHFFFAOYSA-N 319.489 5.232 30 10 DKEE Cc1ccc(C#N)cc1N[C@H](C)c1cc(F)c(Cl)cc1Cl 109945139 RFKSGYMFRYKSHG-SNVBAGLBSA-N 323.198 5.486 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(C)c(C)cc1Cl 125393300 GLRZDQQRWVNLRR-LJQANCHMSA-N 309.925 6.358 30 10 DKEE CCCCCCCCCOc1cccc(Cl)c1C[C@@H](C)N 128619258 AWZAGSSWSUFACO-OAHLLOKOSA-N 311.897 5.359 30 10 DKEE Cc1ccc(Sc2ccc(C#N)cc2Br)c(C)c1 213483435 GVKBEIUBEUHGED-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CC(C)(C#N)CCCCn1ccc2cc(Br)ccc21 232528000 SOKQMZUKPXAJHU-UHFFFAOYSA-N 319.246 5.124 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccoc1Br 232920271 HUDIVAKCEZJGJV-CYBMUJFWSA-N 302.256 5.053 30 10 DKEE N#Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 250178526 APCUYBLPUZMKNZ-BIENJYKASA-N 306.796 5.038 30 10 DKEE CCC1CCC(C#N)(Cc2ccc(C)c(Br)c2)CC1 314086671 YGCZZTHMSNJVDN-UHFFFAOYSA-N 320.274 5.410 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccccc1NC(=O)OC(C)(C)C 407685493 MQVKKAUFRZKBME-KRWDZBQOSA-N 318.461 5.041 30 10 DKEE CCCCCCCOCc1cccc(Cl)c1Br 719502278 VJACBXLYNFLOMC-UHFFFAOYSA-N 319.670 5.590 30 10 DKEE Cn1cc(C=Nc2ccc(-c3ccccc3)cc2)c2ccccc21 1772743355 MQLZLNPAAJPUIQ-UHFFFAOYSA-N 310.400 5.596 30 10 DKEE CCCCCCC[C@@](C)(O)[C@H](N)c1ccc(Cl)c(Cl)c1 1920353646 ZKGMOODBZNFQCY-HZPDHXFCSA-N 318.288 5.105 30 10 DKEE C=CCCC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1 1977491081 WOCXJCAXDZMVEP-KOUHRCEDSA-N 315.501 5.095 30 10 DKEE C=CCCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)c(F)c1 1984515627 JMTCOVIMHBNZDG-UHFFFAOYSA-N 321.392 5.102 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1sc(C)cc1Br 2000376914 RDJYVKNDPKDRPC-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE CCCC[C@@](C)(C#N)Cc1cccc(Br)c1Cl 2001846626 HCICYBGYIXISMH-CQSZACIVSA-N 314.654 5.365 30 10 DKEE C=CCC[C@H](C)[C@H](NCC)c1c(C)cccc1Br 2040534134 POVKVTMXHUGTFW-BBRMVZONSA-N 310.279 5.010 30 10 DKEE C=C(C)[C@@H]1CC[C@](C)(/C=C/C(C)=O)[C@H]1CC[C@H](CCC)C(=O)O 2069590133 GVPWFKHKFWXZLJ-ATQQJZDDSA-N 320.473 5.021 30 10 DKEE C=CC1(CC[C@H](NCC)c2ccccc2Br)CCC1 2113413044 JAJRBXDEAHKZCS-INIZCTEOSA-N 322.290 5.236 30 10 DKEE CCCC(CS)(CCC)CSCCCOCC1CC1 2128257789 GUBNOKIVIQHLQG-UHFFFAOYSA-N 304.565 5.053 30 10 DKEE CC[C@@]1(C)CCSC(=Nc2c(C)cc(Cl)cc2Cl)N1 2136374895 PZHADVVJGWAHNN-AWEZNQCLSA-N 317.285 5.185 30 10 DKEE C=C(CC)C[C@@H](Cc1cc(Cl)cc(Cl)c1)NCCC 2139130317 BXQTVESMNZYTGM-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=CCCCCCCC(=O)c1cc(C)c(Br)c(C)c1 2141919890 SNNVANJFXALVLP-UHFFFAOYSA-N 323.274 5.775 30 10 DKEE CCc1ccc(C#N)c(NCc2c(Cl)cccc2Cl)c1 2188846014 CEZNQGFVXLCQNH-UHFFFAOYSA-N 305.208 5.040 30 10 DKEE C=C(C)CCCNCc1c(Br)sc2ccccc12 2217904671 FCMMLTHJQTYHEJ-UHFFFAOYSA-N 324.287 5.110 30 10 DKEE CCCCCCCCCCCOCC(CC)(CC)CS 2239504560 ZCQDYHVBUPVPRG-UHFFFAOYSA-N 302.568 6.270 30 10 DKEE C=C(C)CCCC[C@](C)(O)c1ccc(OCc2ccccc2)cc1 2250156327 XWEBGWJOQBSYIP-QFIPXVFZSA-N 324.464 5.610 30 10 DKEE CCCCCCC[C@H](N)c1cc(Br)c(F)cc1C 2258092172 PGEZKPGZTOGORK-HNNXBMFYSA-N 316.258 5.257 30 10 DKEE C=CCCCCCCCSC[C@@H](CS)c1ccccc1 2287191135 HBMRGDSESFPMND-GOSISDBHSA-N 308.556 5.960 30 10 DKEE CCCCCCCCOc1cc(Cl)sc1CNCCC 2288278158 MWVZGYJUWRYPAU-UHFFFAOYSA-N 317.926 5.640 30 10 DKEE CCC(=NOC(c1ccccc1)c1ccccc1)c1ccccc1 2330245881 ITAFBAVHOMAVQG-UHFFFAOYSA-N 315.416 5.607 30 10 DKEE CC(=NOCc1ccccc1C)c1ccc(-c2ccccc2)cc1 2330458493 FFIKQUIMUCODHF-UHFFFAOYSA-N 315.416 5.603 30 10 DKEE C=C[C@@H](C)C[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2347979633 BDJTYSAJOLATEF-MEBBXXQBSA-N 324.306 5.155 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSC[C@H]1CCCCC1(F)F 2352290877 QTDDAQYIYNDRSI-OCCSQVGLSA-N 310.519 5.527 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2377403202 MGHZMTCRBOPNNT-MEDUHNTESA-N 317.231 5.461 30 10 DKEE N#Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 11993574 FWQLGRPMPSKTOV-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl 37346183 UBQHSPRKMQPJFO-FZMZJTMJSA-N 312.240 5.386 30 10 DKEE N#C[C@H](Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1 37938244 JLIYKOKJJALFQP-AWEZNQCLSA-N 310.706 5.036 30 10 DKEE Cc1[nH]c2ccccc2c1/C=N/c1ccc(Cl)c(Cl)c1 59508156 URBVHRLRNYVFFA-DJKKODMXSA-N 303.192 5.534 30 10 DKEE Cc1c(Cl)c(C)c(-c2csc(CC#N)n2)c(C)c1Cl 76541499 WGBYBFCDMJLBRF-UHFFFAOYSA-N 311.237 5.108 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2cc(C)c(Cl)cc2C)cc1 83194317 AQTZASIMHVRGCN-JXMROGBWSA-N 314.812 5.252 30 10 DKEE CCCCCCCCCCC[C@@H]1C[C@@H]1CCCCC(=O)OC 100056068 RBKVUWMZDIQOTG-MOPGFXCFSA-N 310.522 6.277 30 10 DKEE CCCCCCC[C@](C)(Nc1ccccc1Cl)C(=O)OC 110318927 MKYHEECSTWFYDF-KRWDZBQOSA-N 311.853 5.044 30 10 DKEE CCCCCCCCCCCC(=O)OCc1ccc(OC)cc1 111902245 DRMAPFJISUWUEF-UHFFFAOYSA-N 320.473 5.659 30 10 DKEE CCCCCCCCCC[C@@H](CNC)c1cccc(Cl)c1 118855720 ZJYUMIPMPBPWTQ-SFHVURJKSA-N 309.925 6.174 30 10 DKEE CCCCCCCCC[C@H](CSc1ccccc1C)NN 126962717 ITOGDYSLKRSZNM-QGZVFWFLSA-N 308.535 5.060 30 10 DKEE C=C(CNc1ccc(Cl)c(Br)c1)c1ccccc1 134368954 TXJMFKXIKWOMHJ-UHFFFAOYSA-N 322.633 5.228 30 10 DKEE CSc1cccc(N(CCC(C)C)C2CCCC2)c1C#N 136683241 OZYGYESKBWKJJB-UHFFFAOYSA-N 302.487 5.075 30 10 DKEE C[C@@H](c1ccccc1Cl)N(C)Cc1ccc(C#N)cc1Cl 162901517 QUTAEWJFXRRKAW-LBPRGKRZSA-N 319.235 5.058 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(Br)cc1 233607862 UDARQUJUTDJQSB-MRXNPFEDSA-N 310.279 5.236 30 10 DKEE COc1ccccc1N=Cc1c2ccccc2cc2ccccc12 254697993 GWBFHMHWHAYYLK-UHFFFAOYSA-N 311.384 5.752 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cc2Cl)C1 322547417 USHMJINBBCMIIS-HFAKWTLXSA-N 314.281 5.804 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)[C@@H](C)C1CC1 385891397 UWYNRILGDOTCPA-INIZCTEOSA-N 305.531 5.023 30 10 DKEE CCCCCCCCCCNc1cc(Cl)c(C)c(Cl)c1 690243286 MZGWCBWHGXPLLT-UHFFFAOYSA-N 316.316 6.854 30 10 DKEE C=C1CCC(C[C@@H](NCC)c2cc(Cl)cc(Cl)c2)CC1 724589813 SQKKNNMETZDEQB-QGZVFWFLSA-N 312.284 5.781 30 10 DKEE C=CCOc1cccc(/C=C/C(=O)c2cccc3ccccc23)c1 1874597285 DMOXCBONSKCDGN-BUHFOSPRSA-N 314.384 5.301 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1cc(Cl)sc1Cl 1888681263 CLTUBEQHVZGYBE-AWEZNQCLSA-N 312.265 5.419 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)C(=C)COCc1ccccc1 1903135110 YVEFZQUQGSKEMJ-LEWJYISDSA-N 315.501 5.120 30 10 DKEE C=C(Br)CCSc1cc(Cl)ccc1Cl 1955992005 UMWHGBAWXOIASB-UHFFFAOYSA-N 312.059 5.384 30 10 DKEE CCCCCCCC[C@]1(N)CCCCN(Cc2ccccc2)C1 1980543224 WHBWIXUEXXXSKS-NRFANRHFSA-N 316.533 5.121 30 10 DKEE C=C([C@H](NCCC)c1cc(Cl)sc1Cl)C(C)(C)C 2035420195 QUMLYVRQWRZVAF-LBPRGKRZSA-N 306.302 5.698 30 10 DKEE C=CCCCCCC[C@H](N)c1cc(Br)ccc1C 2085841596 JEIRXLNUEBBZJU-INIZCTEOSA-N 310.279 5.284 30 10 DKEE C[C@H](Nc1cc(Br)cc(C#N)c1)C1(C)CCCCC1 2101374469 DOBLRYLWLBIDSB-LBPRGKRZSA-N 321.262 5.092 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H](O)c1ccc(Cl)s1 2148593197 XVGMSPUJSINFAO-CZUORRHYSA-N 317.926 5.293 30 10 DKEE CCCCCCC[C@@H](O)[C@H](NCCC)c1csc(Cl)c1 2154424690 WXUAMOJTXVBRCT-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CCCCCCCC(=O)c1ccc(SC(F)(F)F)cc1 2163972509 KFQYBOKHORXXJW-UHFFFAOYSA-N 304.377 5.842 30 10 DKEE C=C1CC(C[C@@H](NCC)c2cc(-c3cccs3)cs2)C1 2182169633 XCFQFXMGPYLUGQ-OAHLLOKOSA-N 303.496 5.484 30 10 DKEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C1CCCCC1 2203804137 VSOWFNKCAZZSLV-YVEFUNNKSA-N 310.268 5.226 30 10 DKEE N#Cc1cc(F)c(Nc2cc(F)c(Cl)cc2Cl)c(F)c1 2203816906 OFOALBJRTPKRMS-UHFFFAOYSA-N 317.097 5.026 30 10 DKEE C=CCCCCCCC[C@H](CCCOCc1ccccc1)NC 2211142805 GMEOELBWSFALAO-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1ccc(Br)o1 2220081994 AXTFLXTYFHIQOV-CYBMUJFWSA-N 314.267 5.219 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(F)c(C)cc1Cl 2232440612 RQYZNFJRORITGO-MRXNPFEDSA-N 300.849 5.043 30 10 DKEE N#Cc1cccc(F)c1Oc1cc(Cl)c(Cl)cc1Cl 2265698223 LWYFBWMJIHQKJI-UHFFFAOYSA-N 316.546 5.450 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@H](O)CC=CC#CC(C)(C)C 2286494203 PEDYLVTVDWTROT-MRXNPFEDSA-N 311.252 5.331 30 10 DKEE CCc1ccc(C(=O)C=CNc2ccc(C(F)(F)F)cc2)cc1 2297506375 OPWMNDHIKMOLMB-UHFFFAOYSA-N 319.326 5.076 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)C=Cc1ccccc1 2311450505 CCNGBAFZIGRIHE-UHFFFAOYSA-N 305.421 5.190 30 10 DKEE CCCOc1ccccc1C=CC(=O)c1c(C)cc(C)cc1C 2322941945 HTJKQXJOGOIIHZ-UHFFFAOYSA-N 308.421 5.297 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(Cl)sc1Cl 2338739082 RXLREANDXBESHG-CQSZACIVSA-N 318.313 5.864 30 10 DKEE CO[C@H](CSC[C@@](C)(CS)C(C)(C)C)CC(C)(C)C 2352102354 ZMPGHGHRPUCVDE-XJKSGUPXSA-N 306.581 5.153 30 10 DKEE C=CC[C@H](C)SC[C@H](NCCC)c1cc(F)cc(Cl)c1 2360209102 YEAAUFIOOQWPKL-LRDDRELGSA-N 315.885 5.218 30 10 DKEE COc1c(Cl)cc(C[C@]2(C#N)CCC[C@@H](C)C2)cc1Cl 2365499349 UQKYVOLJEYIRCH-BZNIZROVSA-N 312.240 5.265 30 10 DKEE CC1(C)CCC[C@@]1(C=O)CCCCC(F)(F)C(F)(F)F 2368118018 UACRWUCBLUCNOD-GFCCVEGCSA-N 300.311 5.140 30 10 DKEE CCC[C@@H](CS)COc1ccc(-c2ccccc2)cc1Cl 94582634 MKSWRSPHPMWBFU-CQSZACIVSA-N 320.885 5.732 30 10 DKEE Fc1ccc(SCC2(CS)CCCCCC2)cc1F 94588911 SWLUCEIXIDPSGJ-UHFFFAOYSA-N 302.455 5.327 30 10 DKEE CCCCCCC[C@@](C)(C#N)Nc1ccccc1Br 103967394 OLHZUNDGJUBLAA-INIZCTEOSA-N 323.278 5.504 30 10 DKEE CCCCCCCCCCCC[C@@H](N)CSC1CCCC1 115646629 LQYZTVFUEVMYQY-GOSISDBHSA-N 313.595 6.301 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(OC)c(OC)c1Cl 115653095 OSRHNMAVGLYUDW-CQSZACIVSA-N 314.853 5.141 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1ccc(Cl)s1 115856831 DPUASWGFODKROH-OAHLLOKOSA-N 315.954 6.583 30 10 DKEE C=CCSc1ccccc1NCc1ccc(Cl)cc1F 160770579 RVMUNHFILQODPN-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE N#Cc1ccc(CNc2cc(Cl)cc(Cl)c2)c(Cl)c1 162580569 BVCIZRAIJLCGJP-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CCCCCCC[C@H](C)Nc1c(F)cccc1Br 232119838 NHGGPAMMFNEDMX-LBPRGKRZSA-N 316.258 5.749 30 10 DKEE C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)/C(=C\O)C[C@H]12 254387436 QDATXTHLLOKPTJ-JBEHUAEGSA-N 302.458 5.040 30 10 DKEE COc1cccc(C=Nc2ccc(Nc3ccccc3)cc2)c1 257353416 RANMOWITHBHGEZ-UHFFFAOYSA-N 302.377 5.189 30 10 DKEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(-c2ccccc2)cc1 396769517 RPEBCWFQFCUGRQ-NXVVXOECSA-N 320.241 5.388 30 10 DKEE CC[C@@H]1CCCCC[C@@H]1Nc1cc(Br)ccc1C#N 691078605 ULHDFOCUYDOXBR-DOMZBBRYSA-N 321.262 5.092 30 10 DKEE CCC[C@@](C#N)(CC)N(C(=O)OC(C)(C)C)C1CCCCCC1 698869259 SIKLVIRWWDSFBZ-LJQANCHMSA-N 322.493 5.419 30 10 DKEE CCCCCCCCC[C@H](O)c1oc(C)cc1Br 706286500 UQIOTFLLWPSUAN-AWEZNQCLSA-N 317.267 5.525 30 10 DKEE C=CCCCOC[C@H](NCCC)c1ccc(Cl)cc1Cl 709513826 BFEDSXJLTARVPG-INIZCTEOSA-N 316.272 5.017 30 10 DKEE C=CCCCCCCN[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 1939563528 MIGJAEFFJRCTGR-VQTJNVASSA-N 315.501 5.096 30 10 DKEE CC[C@](C#N)(CCC(C)C)N(C(=O)OC(C)(C)C)C1CCCC1 1986947284 FMYHQDYNISUPAI-LJQANCHMSA-N 322.493 5.275 30 10 DKEE C=CCCCCCCCCC[C@H](N)CCOCc1ccccc1 1995325272 IHEZVMBOFSZVNK-NRFANRHFSA-N 317.517 5.618 30 10 DKEE CCCC[C@](C#N)(CC)Cc1cc(F)ccc1Br 2045997644 MEHPBVRXAXNYHZ-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE FC(F)c1c(Cl)ccc(OC(F)(F)F)c1C(F)(F)F 2054959825 PLIKWTGTKNWAPN-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE CC1(C)CCC[C@](C#N)(C[C@]2(Br)CC2(F)F)CC1 2082495343 XPUKQRUQJKUKBD-OLZOCXBDSA-N 320.221 5.049 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(C)ccc1Br 2085852077 NQFBSBQZYHLEDT-INIZCTEOSA-N 311.263 5.318 30 10 DKEE C=C([C@H](N)c1ccc2cc(Br)ccc2c1)C(C)(C)C 2096631375 JVRZFABYBXIWEY-INIZCTEOSA-N 318.258 5.204 30 10 DKEE CCCCCCCCCCC[C@H](O)c1csc(Cl)c1 2098217019 BUACXNYOAAFRRO-HNNXBMFYSA-N 302.911 6.356 30 10 DKEE C=C1CCC(C[C@H](NCC)c2snc(Cl)c2Cl)CC1 2110889974 WEWPSMMGJRVTEC-NSHDSACASA-N 319.301 5.237 30 10 DKEE N#C[C@@]1(Cc2ccccc2Br)CCCCC12CCC2 2116995096 LAIYRCJAUKGHSO-KRWDZBQOSA-N 318.258 5.246 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1cc2sccc2s1 2140590287 SPIUSZOHPCNQNR-LLVKDONJSA-N 304.827 5.293 30 10 DKEE C=CC1(C[C@H](NCCC)c2cc3cscc3s2)CCC1 2168022937 IOSQLHZUABNSJR-AWEZNQCLSA-N 305.512 5.750 30 10 DKEE CC1(CC(=O)[C@H](C#N)c2cc(Cl)cc(Cl)c2)CCCC1 2203951315 YUFIKPVECQFNAT-CQSZACIVSA-N 310.224 5.140 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1ccc(Cl)s1 2207449094 OSJVKRJOBBTISS-OAHLLOKOSA-N 313.938 6.359 30 10 DKEE C=CCC[C@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2217663956 AKAYBTQWHOIOFW-ZDUSSCGKSA-N 306.664 5.654 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1 2229551563 FBTKGGQZQYHMSV-INIZCTEOSA-N 302.289 5.918 30 10 DKEE CCC[C@@H](C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl)C(C)C 2234038120 WOVVKVQTSPCKHF-TZMCWYRMSA-N 312.240 5.242 30 10 DKEE CCCCCCCCC[S@@](=N)(=O)CCCCCC1CC1 2235466304 UJDFIJUETSRSOJ-HXUWFJFHSA-N 301.540 5.754 30 10 DKEE CCCCCCCCCOC(=O)c1cc(Cl)cnc1Cl 2239526769 BLCXYPYYVXUKAJ-UHFFFAOYSA-N 318.244 5.296 30 10 DKEE CCN[C@H](C#Cc1cccc(Cl)c1)c1scc(C)c1Cl 2239558312 FKVHAVVLMWKZQC-CQSZACIVSA-N 324.276 5.066 30 10 DKEE CC(C)(C)C#CC=CCN(Cc1ccccc1)C1CCCCC1 2243722408 CUZDNQJZJQDCGZ-UHFFFAOYSA-N 309.497 5.427 30 10 DKEE O=C(C=CNc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 2297351401 AHBCHSRMNPZMNH-UHFFFAOYSA-N 317.363 5.301 30 10 DKEE CCCCCC=CC=C1C(=O)CC[C@@H]1CC=CCCCC(=O)O 2297721691 AFBJLDUEEOOVHL-KRWDZBQOSA-N 318.457 5.230 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cscc1Br 2304062642 NTQXVZMQAOKJAN-UONOGXRCSA-N 316.308 5.154 30 10 DKEE C=CCC(CC=C)[C@@H](N)c1c(Cl)ccc(Cl)c1Cl 2316744536 PBTDWQMGZWECSM-CQSZACIVSA-N 304.648 5.415 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(Cl)c(Cl)c1C 2364445004 BRJIRLUAJXUFDX-INIZCTEOSA-N 317.300 6.476 30 10 DKEE CC(C)Cn1c(Cl)c(C#N)c2ccc(Cl)c(Cl)c21 71466202 LLODJJSJHWFBQQ-UHFFFAOYSA-N 301.604 5.129 30 10 DKEE C=CC[C@@H](Oc1c(Cl)c(C)nc(C)c1Cl)c1ccccc1 72264407 JKRSEWJEHHMDOG-CQSZACIVSA-N 322.235 5.701 30 10 DKEE N#Cc1ccc(Nc2c(F)cccc2Cl)cc1C(F)(F)F 122252754 PGRJMJUCHWCVHE-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE CCCCCCCCCCCCN[C@H](C)c1ncc(C)s1 124272537 ARFNATYPHUTTMI-QGZVFWFLSA-N 310.551 6.023 30 10 DKEE CCCCCCCCCCC[C@H](NN)c1ccc(Cl)s1 124400645 MCGJSJWPADNLSE-AWEZNQCLSA-N 316.942 5.827 30 10 DKEE CCCCCCC[C@@H](NC)c1cc(C)cc(Br)c1 158055692 QVUCEAKFODLWDE-MRXNPFEDSA-N 312.295 5.379 30 10 DKEE CCCCCCCCN[C@@H](CC(F)(F)F)c1ccccc1 159152274 DOXNOBYQGNYECK-INIZCTEOSA-N 301.396 5.630 30 10 DKEE CCCCCCCC[C@H](O)c1cc(F)cc(C(F)(F)F)c1 159352222 FCYDMMRKIHJCOI-HNNXBMFYSA-N 306.343 5.629 30 10 DKEE CCCCCCOc1ccc(/C=N/c2ccc(C(C)=O)cc2)cc1 205365268 IQQJILUQCAPPHT-CJLVFECKSA-N 323.436 5.599 30 10 DKEE CCCC(CS)(CCC)CO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 228070232 JBEWTFRITQRHEM-SOLBZPMBSA-N 312.563 5.734 30 10 DKEE CCCCCCCCC[C@@H](O)Cc1cccc(Cl)c1Cl 229003249 YFIHXQCFSYRWPJ-OAHLLOKOSA-N 317.300 6.038 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1ccoc1Br 233164471 CLVWUDMDEQAVGY-CQSZACIVSA-N 314.267 5.219 30 10 DKEE O=C(C1=CCCCCCC1)c1ccc(Br)c(F)c1 236161962 KIVYKPDHMWBYKN-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE CCCCCCCCNC[C@H](c1cccs1)N(CC)CC 257628979 FCDRCURDMIQWIC-QGZVFWFLSA-N 310.551 5.081 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(Br)ccc2C)C1 314180235 MGTNKWOUCUCPJH-PBHICJAKSA-N 320.274 5.410 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cccc([C@H](C)O)c1 390173450 OWNORXWMBGLRBL-KRWDZBQOSA-N 319.489 5.599 30 10 DKEE CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=NNc1nc2ccccc2[nH]1 606347351 ZHCIRJWDYUBSEP-MYUAWHOBSA-N 322.456 5.289 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Br)c(C#N)c1 690217727 UAHFRUYYPZRMPL-CYBMUJFWSA-N 323.278 5.482 30 10 DKEE CCCCCCC[C@H](C)Nc1cccc(SC(F)F)c1 690228176 GOBRUHHDLBSTHQ-ZDUSSCGKSA-N 301.446 6.162 30 10 DKEE CCCCCCCCC[C@H](NCC)C(F)(F)C(F)(F)F 692618602 PSTLUBWYCMUHEG-LBPRGKRZSA-N 303.359 5.303 30 10 DKEE N#CCc1cc2c(Cl)ccc(SC(F)(F)F)c2s1 725286333 PZEWMNMTLJVDIN-UHFFFAOYSA-N 307.749 5.233 30 10 DKEE CSc1cc(N(Cc2ccccc2)[C@H](C)C2CC2)ccc1C#N 1905527874 SOTFFTPJVMNLHQ-OAHLLOKOSA-N 322.477 5.085 30 10 DKEE N#Cc1cnc(Sc2cc(Cl)cc(Cl)c2)c(Cl)c1 1917226506 WEDAKPZJAVYSDN-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(Br)c(C)s1 2000366277 YJYGWAVEOOKKLO-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CCCN(Cc1ccccc1)c1cc(C)ccc1CNC(C)C 2013171746 CJUVEPHFNTZSED-UHFFFAOYSA-N 322.496 5.076 30 10 DKEE C=CCCCCCC[C@@H](NN)c1cc(Cl)c(Cl)s1 2085842403 QITHDHOONWEVEV-LLVKDONJSA-N 307.290 5.086 30 10 DKEE C=CCC[C@@H](C)[C@H](N)c1ccc2cc(Br)ccc2c1 2102113013 WSGKGYIJFGWIRT-PXAZEXFGSA-N 318.258 5.204 30 10 DKEE C=CCCCCCC[C@@]1(O)CCc2ccc(Br)cc21 2141915469 BKAUZOQLROOODX-QGZVFWFLSA-N 323.274 5.110 30 10 DKEE C=CCCCCCC[S@@](=N)(=O)c1cc(Cl)ccc1Cl 2141922899 JYFJDVLMSGXRRS-LJQANCHMSA-N 320.285 5.536 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc(Cl)sc1Cl 2142432559 SPTKJFJTZQTVCW-CYBMUJFWSA-N 320.329 6.362 30 10 DKEE CCCCCCCCCC[C@@H](N)[C@@H](O)c1cscc1Cl 2148578580 LYBZXPUKILSXMO-CVEARBPZSA-N 317.926 5.293 30 10 DKEE CC1(C)CCC[C@@]1(C#N)Cc1csc(-c2ccsc2)n1 2149430447 KWZQMEDJNPSUOX-INIZCTEOSA-N 302.468 5.134 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@@H](O)c1cccc(Cl)c1Cl 2173630153 SPRYMNYCKTVBPY-GOEBONIOSA-N 312.240 5.137 30 10 DKEE C#CC[C@@H](CN[C@H](CC)c1ccc(Cl)cc1Cl)C1CC1 2196812856 VOKLFYXJSRHMMA-SUMWQHHRSA-N 310.268 5.084 30 10 DKEE C=C(CC)C[C@@H](NCC)c1cc(Cl)cc(C(F)(F)F)c1 2200835890 CLLFEBQLVQKLSD-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCCCC[C@H](CS[C@@H](C)CC)NN 2207434765 DQXZKJTYPQGIPE-DLBZAZTESA-N 300.556 5.047 30 10 DKEE CCCCCCCCCCCOCC(C)=CBr 2216929747 XRRONYOVNREMGZ-UHFFFAOYSA-N 305.300 5.833 30 10 DKEE C=CCCCCCCCC(=O)c1cc2c(s1)CCSC2 2235525654 CHVVPOYLQDQVGZ-UHFFFAOYSA-N 308.512 5.637 30 10 DKEE CC(C)(C)C(C)(C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235756997 NQYBNKJQQVAJEB-NSHDSACASA-N 312.240 5.242 30 10 DKEE N#Cc1ccc(Cl)cc1SC[C@H]1CCCCC1(F)F 2267994801 DKKQKCMRNCATRO-LLVKDONJSA-N 301.789 5.129 30 10 DKEE CCCC1CCC(Nc2c(Br)cccc2C#N)CC1 2269693761 PJKMOVAGWPACDL-UHFFFAOYSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2279060647 WQHRUFYNJNBPOI-QGZVFWFLSA-N 316.316 6.313 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(F)cc1C#N 2287091260 VTEDJEGETQOLAB-UHFFFAOYSA-N 311.853 5.969 30 10 DKEE C=CCCCCCCCSC[C@H](NCCC)C1(Cl)CC1 2287193143 HNYXEURRHRPMIR-INIZCTEOSA-N 317.970 5.386 30 10 DKEE N#Cc1ccc(CSCC2CC(C(F)(F)F)C2)c(Cl)c1 2287323830 YVZUOZPHIDLXIF-UHFFFAOYSA-N 319.779 5.033 30 10 DKEE CCCCCCC=CCCCCCCCc1cccc(O)c1 2297721781 YLKVIMNNMLKUGJ-UHFFFAOYSA-N 302.502 6.802 30 10 DKEE CC(C)(C)[C@@](C)(CS)CSc1cc(Cl)ccc1Cl 2327294661 MXMNLFZXEJNTSY-AWEZNQCLSA-N 323.354 6.068 30 10 DKEE Cc1ccc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)cc1C 37155449 JLSVFLACVCLHHH-JFIYKMOQSA-N 301.499 5.750 30 10 DKEE CC[C@@H](C)c1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1 59248174 ZKDLPQWKZKRDLR-QQHUYRGFSA-N 304.437 5.751 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2ccc(Cl)cc2Cl)CC1 91880747 VJAQSZAZEKVQEV-AWEZNQCLSA-N 312.240 5.137 30 10 DKEE C[C@@H](c1cccc(Cl)c1)N(C)CC1(CS)CCCCC1 94579576 OLRVZGQGTQNEKU-AWEZNQCLSA-N 311.922 5.213 30 10 DKEE SCC1(CSc2ccc(Cl)c(Cl)c2)CCCCC1 94589590 LGJVTRSBFYHUAF-UHFFFAOYSA-N 321.338 5.966 30 10 DKEE CCCCCCCN1CC[C@@](CCC)(c2cccc(OC)c2)C1 95883034 IBDXYXBQJWQQFY-OAQYLSRUSA-N 317.517 5.409 30 10 DKEE CCCCCCCCCC(=O)[C@@H](C#N)c1ccccc1Cl 115858136 HRBVJQSAUVPBFN-INIZCTEOSA-N 305.849 5.657 30 10 DKEE C=C(CC)C[C@H](NCC)c1cc(C)c(Br)c(C)c1 228390653 XLOBCRTVRKHEJO-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE CCCCCCCC[C@H]1C(=O)Nc2c(Cl)cc(Cl)cc21 232926675 VRIWTXHAJHGOBO-GFCCVEGCSA-N 314.256 5.780 30 10 DKEE CCCCCCC[C@H](CN)N(C)[C@H](C)c1ccccc1Cl 250831329 RGNVRUIEKJNYNG-HZPDHXFCSA-N 310.913 5.021 30 10 DKEE Cc1cc(C#N)cc(N[C@H]2CCCc3sc(Cl)cc32)c1 308120029 FEELPWMSQZWVKJ-AWEZNQCLSA-N 302.830 5.071 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 309949303 FHSDQVPPCUVRHA-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE CCCCCCCOc1cc(C)c(Br)c(C)c1C 385138789 LSCOVOOJNBIRHW-UHFFFAOYSA-N 313.279 5.724 30 10 DKEE C=CC(C)(C)CN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 385223438 RZOIQEGWRRMPOI-VIFPVBQESA-N 306.664 5.510 30 10 DKEE CN(Cc1cc2cscc2s1)c1cc(Cl)ccc1C#N 693985970 PSZYACRWEYXPOW-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CCC[C@H](CCC)CC1 698956683 BYIGSFSOVIYYDK-LPHOPBHVSA-N 320.477 5.052 30 10 DKEE CCCCCCCOC[C@@H](NC)c1c(Cl)cccc1Cl 708946714 JLBNJEUUPWCZKZ-OAHLLOKOSA-N 318.288 5.241 30 10 DKEE CC(C)Cc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 725413786 HTCPZTVMVGAIKP-UHFFFAOYSA-N 302.339 5.304 30 10 DKEE CCCCCCCCCCCCCCCCn1cc(CO)cn1 725432483 FMBOXFWBGQVUJN-UHFFFAOYSA-N 322.537 5.857 30 10 DKEE N#Cc1cccc(Br)c1Nc1ccc(C(F)F)cc1 1174716064 QNYUHIVPXQBJNP-UHFFFAOYSA-N 323.140 5.002 30 10 DKEE CCCCCCCCCCNC(=O)CC(C)(C)c1ccccc1 1874094647 OGDXIYKPMLRBBV-UHFFFAOYSA-N 317.517 5.611 30 10 DKEE C=C(C)COc1ccccc1/C=C/C(=O)c1cccc(Cl)c1 1874576364 JSFOUQWXUFFHJK-ZHACJKMWSA-N 312.796 5.191 30 10 DKEE CC[C@](C#N)(CC1CC1)N(C(=O)OC(C)(C)C)C1CCCCC1 1939402721 HMBMESQJBSHGSE-LJQANCHMSA-N 320.477 5.029 30 10 DKEE CCCCCCCCC[C@@H](N)c1nc(Br)cs1 1950122226 XLEBHNKRPPALJV-LLVKDONJSA-N 319.312 5.046 30 10 DKEE C=C(COCc1ccccc1)[C@@]1(O)CCCCC12CCCCC2 1979342186 DNCZMBAPZASLKV-NRFANRHFSA-N 314.469 5.015 30 10 DKEE C=CCCCCCCCCCNCCCOCc1ccccc1 1995325677 NIKIWNXVWIDDRB-UHFFFAOYSA-N 317.517 5.490 30 10 DKEE C=C1CCC(CC[C@H](O)c2cccc(Br)c2)CC1 2050502179 XUDXNHNMGKGQHG-INIZCTEOSA-N 309.247 5.009 30 10 DKEE CC[C@H]1CC=C(C(=O)c2ccc(Br)c(C)c2)CC1 2061179702 SCCHTQPHHQTKSU-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(C)cc(Br)c1 2085856727 QALCOTODNCLGKK-MRXNPFEDSA-N 310.279 5.284 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Cc2cccc(Br)c2C)C1 2087419676 UHJHAQFQFZVPGC-RHSMWYFYSA-N 320.274 5.410 30 10 DKEE N#C[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CCC2(CCCC2)C1 2155222903 KWPOEAJXCYIJJI-IUODEOHRSA-N 308.252 5.961 30 10 DKEE C=CCCC[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164165369 JZWOODRGDIHJCD-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CCCC[C@@H](CC)C(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203957102 OKEVYCFGNBWHRQ-IAQYHMDHSA-N 312.240 5.386 30 10 DKEE C=CC[C@@H](C)OCc1c(Br)sc2ccccc12 2213058283 WXJRNXUZAQDHHO-SNVBAGLBSA-N 311.244 5.145 30 10 DKEE N#Cc1c(F)cccc1-c1cc(Cl)c(Cl)c(Cl)c1 2217621602 UMIFVGFFKKIMBH-UHFFFAOYSA-N 300.547 5.325 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(F)c(Cl)cc1F 2235532569 LTKUVDOPSUDMAP-MRXNPFEDSA-N 302.792 5.568 30 10 DKEE CCCN[C@@H](C#Cc1cccc(Cl)c1)c1cc(Cl)cs1 2239466359 DRYFCYABLUUMCJ-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE C=CC1(Cc2cc(Br)cc(C(C)(C)C)c2)CCC1 2260195139 PLZTXGWVIREZLF-UHFFFAOYSA-N 307.275 5.645 30 10 DKEE C=CCCSC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2271589470 GSJZLOOGUKKBGD-CQSZACIVSA-N 322.276 5.092 30 10 DKEE Cc1cc(NCc2cccc(Cl)c2Cl)cc(C)c1C#N 2280579702 CQZUSBAELNEVTL-UHFFFAOYSA-N 305.208 5.094 30 10 DKEE C=CCCCCCCCSc1nc(C(=O)O)ccc1Cl 2287090872 SVRWMRPLIFKZPL-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE C=C(C)CCCC[C@@H](OCCN)c1cc(Cl)cc(Cl)c1 2293884005 GWBMVWZGXLQIBF-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE C=CCC(CC=C)SC[C@@H](NCC)c1ccc(Cl)cc1 2360338450 VCDKHKAQMBKBLW-QGZVFWFLSA-N 309.906 5.245 30 10 DKEE C=CCCCCCC[C@H](O)c1c(F)cc(OC)cc1Cl 2364051449 PHWAMZKUMAEULB-HNNXBMFYSA-N 300.801 5.048 30 10 DKEE C=CCCCCCCCCC[C@](C)(O)C1(Cl)CCCC1 2366287566 ABGYFZWYBHVQJX-KRWDZBQOSA-N 300.914 5.986 30 10 DKEE CCCCOc1ccc(/C=N/Nc2ccc(C)c(Cl)c2)cc1 59148659 GXQUFVHIGSKPMZ-DEDYPNTBSA-N 316.832 5.273 30 10 DKEE C=CCCCOc1c(Cl)cc(Cl)cc1CNC(C)(C)C 71275016 COWQZYKBCBRBGP-UHFFFAOYSA-N 316.272 5.227 30 10 DKEE Cc1ccc2nc(C(C)(C)C)c(/N=N\c3ccccc3C#N)n2c1 71584117 NXGUHDUWMZWVBV-FCQUAONHSA-N 317.396 5.227 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ncccc2Cl)C1 79426780 JIAUDNAHEVBEBI-VNHYZAJKSA-N 322.905 5.572 30 10 DKEE CCCCCCCCCC[S@](=O)c1cc(Cl)ccc1N 165238908 MHDDXOUPWQJSGN-HXUWFJFHSA-N 315.910 5.171 30 10 DKEE CCCCCCCCCC[C@H](O)CCCOCc1ccccc1 200584780 OAUYCRZAPDPWFH-NRFANRHFSA-N 320.517 5.875 30 10 DKEE CCCCCCCNc1cc(F)c(Br)c(Cl)c1 310196063 FUGSQTZIEYTLPV-UHFFFAOYSA-N 322.649 5.624 30 10 DKEE CCCCCCCCCC[C@H](COCc1ccccc1)NC 395641408 YGQQUXUITUQYIO-HXUWFJFHSA-N 305.506 5.322 30 10 DKEE FC(F)(F)c1ccc(Cl)c(NN=C/C=C/c2ccccc2)c1 606347032 MLYUGKRDAHJUTO-YREGGAFVSA-N 324.733 5.470 30 10 DKEE CC[C@H]1CCCCC[C@@H]1Nc1ccc(C#N)cc1Br 691073682 IDUNIMUTSOIWAA-ZFWWWQNUSA-N 321.262 5.092 30 10 DKEE C[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCC1)C(C)(C)C 698381354 KLLGRTNOVKYHCT-ZBFHGGJFSA-N 322.493 5.131 30 10 DKEE CC(C)c1ccc(/C(=N/OCc2ccccc2F)C2CC2)cc1 821229779 OZFFVQOUMOADFM-XDOYNYLZSA-N 311.400 5.280 30 10 DKEE CCCOc1ccccc1/C=C/C(=O)c1cccc(Cl)c1 1874576327 HZJRGVYDAOJLCM-ZHACJKMWSA-N 300.785 5.025 30 10 DKEE C=CCN(Cc1ccccc1)Cc1ccc(Cl)cc1Cl 1883399834 SYAAXFPXDYOPSS-UHFFFAOYSA-N 306.236 5.182 30 10 DKEE CCCCCCCCCC[C@H](O)c1sc(OC)nc1Cl 1919879180 OVYQZRVDIGUAAK-LBPRGKRZSA-N 319.898 5.369 30 10 DKEE C=CCC[C@H](C)[C@H](N)c1cc(Cl)c(C)c(Br)c1 2002244512 OZARCPWBSVYPRF-XPTSAGLGSA-N 316.670 5.013 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2csc(Br)c2)C1 2024825030 SPJNJKNESMGLRS-RISCZKNCSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCN(C)Cc1ccc(Br)s1 2026021617 KQHYFKHVASAEBL-UHFFFAOYSA-N 316.308 5.079 30 10 DKEE C=C([C@H](NCC)c1ccc(C)c(Br)c1)C(C)(C)C 2035433318 BYUCTYBTLMSQSR-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE N#Cc1ccc(Cl)cc1NCc1cc(Cl)c(Cl)s1 2037472897 MXBZSDJCLMPIRV-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(C)ccc1Br 2102111698 OFQZERIVDJCRHQ-YOEHRIQHSA-N 324.306 5.401 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Br)c1)C1CCCCCC1 2116849453 FGRRKZQROGTUCE-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE C=C([C@@H](NC)c1ccc(-c2cccs2)s1)[Si](C)(C)C 2140968381 SKAUSVAHUJQIOQ-OAHLLOKOSA-N 307.560 5.171 30 10 DKEE CCCCCCCCCC(=O)c1ncc(C(F)(F)F)s1 2156071206 QJBWCGDXSQWTBO-UHFFFAOYSA-N 307.381 5.485 30 10 DKEE CCC#CC[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2174094858 CWGZDZDTEDHENF-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CCCCCCCN(C)c1nc(Cl)nc2sc(C)cc12 2196705073 VFMSXKPFJHZQDS-UHFFFAOYSA-N 311.882 5.060 30 10 DKEE CN(Cc1cc2sccc2s1)c1cccc(Cl)c1C#N 2205538588 ABZBFZLVNKXHSU-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE C=C1CCC(CNCc2ccc(-c3cccs3)s2)CC1 2205862081 AZYFTAZBLQNMCB-UHFFFAOYSA-N 303.496 5.313 30 10 DKEE C=CCCCCCCCCC[C@@](C)(O)c1ccc(Cl)s1 2207410798 RWCYGGINWMWJSL-QGZVFWFLSA-N 314.922 6.306 30 10 DKEE CCCCCCCCCCCCOc1nsnc1Cl 2231088400 ODRGTSNDVUHBRK-UHFFFAOYSA-N 304.887 5.491 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(C(F)(F)F)cs1 2235517858 BAUAOKAFALXHNM-ZDUSSCGKSA-N 305.409 5.683 30 10 DKEE CC[C@H](C)[C@H]1CSC(=Nc2cc(C)c(Cl)cc2Cl)N1 2277454062 JTOJUUAAPJGSRL-ISVAXAHUSA-N 317.285 5.040 30 10 DKEE CCC(F)(F)CCSc1ccc(C(F)(F)F)c(C#N)c1 2283726982 RTKGJTIOMBWWMI-UHFFFAOYSA-N 309.303 5.105 30 10 DKEE SCC1(CSC2CC3(C2)CC2(CCC2)C3)CCCCC1 2289636850 RJUXZUROYMHMMP-UHFFFAOYSA-N 310.572 5.713 30 10 DKEE C=CCCCCC[C@H](OCCC(=O)O)c1sccc1Cl 2291442633 LVBBUKUHNRQUME-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE C=CCCCCCC[C@H](OCC(=O)O)c1sccc1Cl 2291661181 TWWORFVTEZCCHK-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE CCCCCCC[C@H](C)NCc1cc(Cl)cc(Cl)c1 2341115347 XSXRCYWJIKMPTM-ZDUSSCGKSA-N 302.289 5.832 30 10 DKEE CCCN[C@@H](C#Cc1cccs1)c1ccc(Cl)c(Cl)c1 2363536272 CNMSPEIWFOTRHO-INIZCTEOSA-N 324.276 5.147 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1ccc(-c2cccs2)s1 2370492013 RSVSLQLBVIMTTO-IAGOWNOFSA-N 305.512 5.730 30 10 DKEE CCCCCCCCCNCc1cccc(C(F)(F)F)c1 59055634 DINSHUSBRXLWAD-UHFFFAOYSA-N 301.396 5.546 30 10 DKEE SCC1(CN(C2CCCCC2)C2CCCCC2)CCCC1 94578417 FQLCPGNJFVCMOQ-UHFFFAOYSA-N 309.563 5.444 30 10 DKEE CC[C@@H](CS)COc1cc2sc(C)nc2c2sccc12 94582494 TWGUWYAPQNGGRI-SNVBAGLBSA-N 323.508 5.154 30 10 DKEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(CCCC)cc1)C2 100924854 JUGLEOOWAOISHD-LAUBAEHRSA-N 311.469 5.350 30 10 DKEE CCCCCCC[C@@H](C)NCc1cccc(Br)c1 103972982 LKERTOWFTYPWSU-CQSZACIVSA-N 312.295 5.288 30 10 DKEE CCCCCCC[C@H](C)NCc1ccc(Br)s1 103990534 RORIIZPMBFWWGD-LBPRGKRZSA-N 318.324 5.349 30 10 DKEE CCCCCCCCCOc1ccc(CC[C@@H](C)N)cc1OC 104739892 VYTBMLQMXZRLIF-QGZVFWFLSA-N 321.505 5.104 30 10 DKEE CCCCCCCO[C@H](CNC(C)C)c1ccccc1Cl 110067761 WFSOMOKDWPCNQO-GOSISDBHSA-N 311.897 5.366 30 10 DKEE CCCCCCCCCC[C@H](OC)OCCc1ccccc1 111905810 VTIBZGRHIAXWGL-HXUWFJFHSA-N 306.490 5.749 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(OC)c(Cl)c1 115654588 MRNAJBKPSFTPDC-KRWDZBQOSA-N 312.881 5.913 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Br)ccc1Cl 168217628 CJAHOBCIZFQZGI-CQSZACIVSA-N 319.670 5.496 30 10 DKEE N#Cc1cc(Cl)ccc1Nc1ccc(Cl)c2cccnc12 227861855 RCNMAUYBWAEDMQ-UHFFFAOYSA-N 314.175 5.157 30 10 DKEE CCCCCCCCCOc1cc(C(=O)CC)ccc1[N+](=O)[O-] 261053588 PBEOGJQTARFDGA-UHFFFAOYSA-N 321.417 5.317 30 10 DKEE CCN(Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C#N 302864889 XZXVAQUYFZNHLG-HSALFYBXSA-N 312.501 5.253 30 10 DKEE C[C@@]1(C(O)=Nc2ccc3c(c2)oc2ccccc23)C[C@H]2CC[C@H]1O2 330060166 MFRAGUDIMFPZRC-CFSSXQINSA-N 321.376 5.132 30 10 DKEE C=CCCCCC[C@@H](CCOCc1ccccc1)NCCC 395572160 TXDXGEWHRGLPCJ-FQEVSTJZSA-N 303.490 5.098 30 10 DKEE C[C@H](CC(C)(C)C#N)Nc1cc(Cl)c(Cl)cc1Cl 695820665 XBRYJQCIMIPAOX-MRVPVSSYSA-N 305.636 5.387 30 10 DKEE C=CCC[C@@H](C)Nc1cccc(NC(=O)OC(C)(C)C)c1C 702732715 SDNKDUORQJEJGR-CYBMUJFWSA-N 304.434 5.109 30 10 DKEE C=CC[C@H](C)[C@@H](NCCC)c1ccc(C)cc1Br 715815845 VUWOFEQJEAMLHC-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cccc(OCc2ccccc2)c1 1903138426 ZEHWETCUZURPQT-SFTDATJTSA-N 309.453 5.258 30 10 DKEE C=CCC[C@H](C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 1979641037 FODGKZYGSQQXNS-ROUUACIJSA-N 309.453 5.271 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)c1nc(C(C)(C)C)ccc1C#N 2017160880 NFPNHMOQLQJCEH-INIZCTEOSA-N 321.468 5.056 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(Br)oc1C 2059111685 MWMYMWGOCCPXPV-AWEZNQCLSA-N 314.267 5.138 30 10 DKEE CCCCCCCCCC[C@@H](N)c1ncc(SC)s1 2098410160 KAINDETUDOZMKE-CYBMUJFWSA-N 300.537 5.396 30 10 DKEE C=C([C@@H](NC)c1c(Cl)cccc1C(F)(F)F)C(C)(C)C 2152949418 AOKSKJVHICPYRN-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE CCCCCCCCCC[C@H](N)[C@@H](O)c1csc(Cl)c1 2154421126 FHHRIFIBLWICBV-HOCLYGCPSA-N 317.926 5.293 30 10 DKEE CCCSc1ccccc1Nc1ccc(Cl)cc1C#N 2158459350 KAXAUMHTRXPGLM-UHFFFAOYSA-N 302.830 5.457 30 10 DKEE CC1(C)CCCC[C@@]1(C=O)CCc1cc(Cl)cc(Cl)c1 2173662692 OOQHQCUQQOTEMD-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE C=CCCCC[C@@H](N)c1ccc(-c2ccc(Cl)cc2)s1 2179681361 WKFLTQRUJAXFMG-OAHLLOKOSA-N 305.874 5.815 30 10 DKEE CCCCCCCC(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1 2203958157 TZEKVJCVNMWHAR-OAHLLOKOSA-N 312.240 5.530 30 10 DKEE CC[C@@H]1CCC[C@](C#N)([C@@H](O)c2cc3sccc3s2)C1 2205529418 MCIRPUYRSKXONL-RLCCDNCMSA-N 305.468 5.106 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1cc(Cl)sc1Cl 2227277459 YQIQOELVVCBNFS-HNNXBMFYSA-N 320.329 6.146 30 10 DKEE C=CCCCCCCC[C@H](NC)c1cc(Cl)c(Cl)s1 2227281050 DWSNLKNIUPBXDE-ZDUSSCGKSA-N 320.329 6.232 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SC2CC(C(F)F)C2)C1 2241016428 YSZKRBABMMTIQB-DGOFFYKESA-N 301.446 5.118 30 10 DKEE Cc1c(Br)sc(C(=O)C2=CC[C@@H](C)CC2)c1C 2247213506 ZBJXIJGXDYTIJU-MRVPVSSYSA-N 313.260 5.057 30 10 DKEE C=C(C)CCCCNc1cc(F)c(Br)c(Cl)c1 2250190073 RHCHMWNUTUKXIO-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE C=C[C@H](CCCCC)OCc1c(Cl)nc(Cl)nc1Cl 2266702210 ODKSGMVTLDGXGO-SECBINFHSA-N 323.651 5.088 30 10 DKEE CCCCCCCCCCNc1c(F)cc(Cl)cc1F 2281502322 YLZKATQATPUCKN-UHFFFAOYSA-N 303.824 6.171 30 10 DKEE CCCCCCCC[C@H](OCC(=O)O)c1sccc1Cl 2291577921 BVHZQXQRBUGPOW-ZDUSSCGKSA-N 318.866 5.294 30 10 DKEE CCCCCCC[C@@H](C)Nc1c(C)nsc1Br 2307226414 GBDBSDRWYZKIDH-SNVBAGLBSA-N 319.312 5.375 30 10 DKEE C=C(C)COc1ccccc1C=CC(=O)c1ccc(CC)cc1 2322353398 DLARVCYSNIGPEL-UHFFFAOYSA-N 306.405 5.100 30 10 DKEE CCCCCCC[C@H]1Nc2cc(Br)cc(F)c2O1 2328410264 YGCPZFBBCRYMDX-ZDUSSCGKSA-N 316.214 5.079 30 10 DKEE C=CC[C@@H](C)SC[C@@H](NCC)c1c(Cl)cccc1Cl 2335188718 SZXIHKINNAGBMQ-BXUZGUMPSA-N 318.313 5.342 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352818531 SBFZMBWMEDRGEM-IAQYHMDHSA-N 300.273 5.555 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1c(Cl)ccc(Cl)c1OC 2370521964 MVWKOZUKQKICJL-HNNXBMFYSA-N 316.272 5.255 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 14551485 SFZZHWBEQQVHKU-OPYAIIAOSA-N 303.405 5.078 30 10 DKEE Cc1cccc(C(=O)[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1C 50039296 POGCXYOKLOUJKG-AWEZNQCLSA-N 318.203 5.100 30 10 DKEE CCCCCCCCCOc1c(Cl)cc(Cl)cc1CO 59300156 WNIJEDLQJCUIIZ-UHFFFAOYSA-N 319.272 5.615 30 10 DKEE Cc1ccc([C@H](C#N)C(=O)c2cc(Cl)cc(Cl)c2)cc1C 61681926 NGNMTVSQEGRLIC-INIZCTEOSA-N 318.203 5.100 30 10 DKEE CCCCCCCCCCCCCCCC[C@H](C)CC(C)C 80022085 PPSYHXHRYMEFQY-QFIPXVFZSA-N 310.610 8.540 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCC[C@@H](CCC)CC1 86944001 OIRSHDKLQHFHIH-SJORKVTESA-N 303.515 6.126 30 10 DKEE CCCCCCCCCC[C@H](O)Cc1ccc(F)cc1Cl 109714737 MHJVBORUBIVPOG-KRWDZBQOSA-N 314.872 5.913 30 10 DKEE CCCCCCC[C@@H](NCC)c1cccc(C(F)(F)F)c1 109717903 WSDLLLSHEHJLMU-MRXNPFEDSA-N 301.396 5.717 30 10 DKEE CCCCCCCC[C@H](NC)c1cccc(Br)c1 109723458 ZSJRKQFJIVIHGK-INIZCTEOSA-N 312.295 5.460 30 10 DKEE C[C@H](CC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl)C(C)(C)C 111650480 NHKRKVNEVIMUJC-MFKMUULPSA-N 312.240 5.242 30 10 DKEE CCCCCCCCCCCCCC/C=C/S(=O)(=O)OC 198603668 YIEXJGCTMWXGCU-WUKNDPDISA-N 318.523 5.568 30 10 DKEE CCCCCCCCC[C@H](O)Cc1ccc(Cl)c(F)c1 232931510 MOEVSPGIIBZBJK-HNNXBMFYSA-N 300.845 5.523 30 10 DKEE Cc1ccc(Cl)cc1N=C/C=C(/O)c1ccc(Cl)cc1 263627743 LPWYCEYJTHYTER-VVZHNZIGSA-N 306.192 5.603 30 10 DKEE CCCCCCCC[C@@H](Cc1sccc1Cl)NCCC 380138212 OYRFERYSCKCECG-HNNXBMFYSA-N 315.954 6.063 30 10 DKEE CCCCCCC[C@@H](NCCC)c1coc(Br)c1 394060414 CBXISTABXGJZNA-CQSZACIVSA-N 316.283 5.443 30 10 DKEE CC(C)(C)OC(=O)N(c1ccccc1Cl)[C@H](C#N)C(C)(C)C 698922586 ZIKGIYHFQFMKET-CQSZACIVSA-N 322.836 5.020 30 10 DKEE C=CCCC(C)(C)CNCc1c(Cl)ccc(Cl)c1Cl 704005693 MQAYUZJPQNCNAE-UHFFFAOYSA-N 320.691 5.729 30 10 DKEE CCCCCCCCCCN=c1[nH]nc(C2CCCCC2)s1 1859793090 XKADQFMFPXBGQB-UHFFFAOYSA-N 323.550 5.560 30 10 DKEE CCOc1ccccc1/C=C/C(=O)c1cccc2ccccc12 1874582454 OJQHXIBCSBXWMJ-CCEZHUSRSA-N 302.373 5.135 30 10 DKEE C#C[C@@H](C)c1c(Cl)ccc(Cl)c1NC(=O)OC(C)(C)C 1951834352 HMOIGCNYNDDSCT-SECBINFHSA-N 314.212 5.077 30 10 DKEE C=CC1(C[C@](C)(N)c2ccc(OCc3ccccc3)cc2)CCC1 2002638829 KEOJHKXJIJYTAA-NRFANRHFSA-N 321.464 5.186 30 10 DKEE CCCCCCCCCCCCNC/C=C/Br 2004057506 VRPVFPBAQXUMGT-OUKQBFOZSA-N 304.316 5.406 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Br)sn1 2007626412 DLOWGVPLTDHVRA-LLVKDONJSA-N 319.312 5.046 30 10 DKEE C=CC1(C[C@@H](N)c2c(Cl)ccc(Cl)c2Cl)CCC1 2049029576 ISZNIKQJKKBMQI-LLVKDONJSA-N 304.648 5.393 30 10 DKEE N#C[C@]1(Cc2ccc(Br)cc2Cl)CCCC12CC2 2053366188 QFJWVJMQRCZYMV-OAHLLOKOSA-N 324.649 5.119 30 10 DKEE C=CC1(C[C@@H](NCCC)c2ccc(Br)cc2)CCC1 2111720830 RZCUUOCTQBWBEH-MRXNPFEDSA-N 322.290 5.236 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCCCC12CC2 2117000585 JLBGDBZFMZMFNL-SUMWQHHRSA-N 318.258 5.417 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2ccc(Cl)cc2Cl)C1 2168547341 GTDGPZYFQUIHNS-GOEBONIOSA-N 312.240 5.137 30 10 DKEE CCCCCC#CCNc1cc(Cl)cc(C(F)(F)F)c1 2203787016 ZAHYXQWSKGPTOS-UHFFFAOYSA-N 303.755 5.354 30 10 DKEE C=CCCCCCC[C@H](NCC)c1cc2sccc2s1 2206902077 HAJNLQIZIFDYRQ-AWEZNQCLSA-N 307.528 6.140 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2217665365 HIBMPVPVRMFXBP-ZDUSSCGKSA-N 306.664 5.654 30 10 DKEE CCCN[C@H](C#CC(C)(C)C)c1cc(Cl)sc1Cl 2218436495 YTPGENRJTGPCQC-LLVKDONJSA-N 304.286 5.145 30 10 DKEE C=CCCCCCCCNc1cc(Cl)c(C)c(Cl)c1 2227291307 PWNMQHAENLHKPZ-UHFFFAOYSA-N 300.273 6.240 30 10 DKEE CCCCCC#CC[C@H](Cc1cc(Cl)ccc1Cl)NC 2234035817 NHTYVZRDFVKDDM-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCC[C@@H](NCCC)c1cscc1Cl 2235537970 FYRVAHIVZZLWMF-QGZVFWFLSA-N 313.938 6.359 30 10 DKEE C=C(C)CCCC[C@H](NC)c1ccc(OCc2ccccc2)cc1 2250161366 MMFMBPRTMHNGOE-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE CCCCCCCCCC(=O)c1csc(Cl)c1OC 2268966985 LOJPMFURIPFNDH-UHFFFAOYSA-N 302.867 5.734 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1cc(Cl)cs1 2274436183 ONCNHFHMOGDSME-OAHLLOKOSA-N 302.911 6.356 30 10 DKEE C=CCC[C@@H](C)[C@H](OCCCN)c1cc(Cl)c(Cl)s1 2276384302 CQBHRYGJENWJMY-MFKMUULPSA-N 322.301 5.064 30 10 DKEE C=CCCCCCCCSC[C@@H](NCC)c1cccs1 2287190264 WNUTXNGOKUSRMD-MRXNPFEDSA-N 311.560 5.659 30 10 DKEE CCOc1ccccc1C=CC(=O)c1ccc(Cl)c(Cl)c1 2294299946 FBSDAJJQTISDDZ-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE N#C[C@H]1CCCCC[C@@H]1SCc1ccccc1Br 2318741096 DTJPPQKNYULXDO-DOMZBBRYSA-N 324.287 5.155 30 10 DKEE CC(C)(C)C1(C)CC(C#N)(c2cccc(Br)c2)C1 2327171132 PPXLHLPZYYJMRA-UHFFFAOYSA-N 306.247 5.057 30 10 DKEE CCN[C@@H](C#Cc1cccs1)c1cc2sc(C)cc2s1 2363710416 GWHJZCROODTBFH-ZDUSSCGKSA-N 317.504 5.035 30 10 DKEE C=CCC(CC=C)[C@H](CSc1cccc(Cl)c1)NCC 2364070738 MJGUPUBRXAFUMD-KRWDZBQOSA-N 309.906 5.179 30 10 DKEE CCN[C@@H](CC#CC(C)(C)C)c1cc(F)c(Cl)cc1Cl 2377323433 FDFJSUDFICUXKC-HNNXBMFYSA-N 316.247 5.223 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2377417497 KWKUGZXDWQGRLX-MRXNPFEDSA-N 317.231 5.461 30 10 DKEE Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(CC#N)n2c1 31921724 ZORPFGORSVBLBL-UHFFFAOYSA-N 323.399 5.043 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(F)c(Cl)c1 36963954 GMTWKBCQBVSBFG-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#Cc1ccc(Nc2nc3cc(Cl)ccc3s2)cc1Cl 37206896 MKRXYDUGDUNEAJ-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE C=CCSc1ccccc1NCc1ccc(CSC)o1 37766663 WWZGNVFOBLHTSX-UHFFFAOYSA-N 305.468 5.033 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 37936097 MPKYZORFJQFNSK-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1 37937393 PPYLTBJXYFYDBP-AWEZNQCLSA-N 311.599 5.324 30 10 DKEE N#Cc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 58929236 JMCQCLKGRXXARE-SOLBZPMBSA-N 306.796 5.038 30 10 DKEE C=CCSc1ccccc1NCc1ccc(OC)c(Cl)c1 86585541 XZCOVHYGOCWSLS-UHFFFAOYSA-N 319.857 5.239 30 10 DKEE CCCCCCCCNc1ccccc1SCC(F)(F)F 109821261 UOIZUOFTKVLUOT-UHFFFAOYSA-N 319.436 6.113 30 10 DKEE CCCCCCCCOc1ccc([C@H](C)NCC)c(Cl)c1 112735274 KHBKKVUTPJYNLB-HNNXBMFYSA-N 311.897 5.750 30 10 DKEE CCCCCCCCCCNc1cc(Cl)nc(SC)n1 129525163 CBSHXMHZZZAPLB-UHFFFAOYSA-N 315.914 5.405 30 10 DKEE CCCCCCC[C@@H](NC)c1ccc(Br)c(F)c1 158046616 HSEVFLCVMNXOEG-OAHLLOKOSA-N 316.258 5.209 30 10 DKEE CC(C)(C)c1ccc(SCc2ccc(C#N)cc2Cl)cc1 163427509 BQBHTOPTPUHBPS-UHFFFAOYSA-N 315.869 5.801 30 10 DKEE CCCCCCCC[C@@H](N)c1ccc(OC)c(Cl)c1OC 224583360 GASHOHJTSUZGJP-CQSZACIVSA-N 313.869 5.108 30 10 DKEE COc1cc(CSc2cc(Cl)cc(Cl)c2)ccc1C#N 312441132 VROIKFRRIRJJFQ-UHFFFAOYSA-N 324.232 5.166 30 10 DKEE CCCCCCCCCCCCS[C@@H](C)CCC(=O)O 386149199 XHJBJRGIRZGLLB-INIZCTEOSA-N 302.524 5.894 30 10 DKEE CCCCCCCCCC(=O)c1ccc(Cl)c(F)c1F 1923244874 AZBSRHNMOUXYBE-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE C=CCCCCCCNc1c(F)cccc1Br 2026013789 BTXYNIOYULZRCS-UHFFFAOYSA-N 300.215 5.137 30 10 DKEE CC1(C)CC[C@H]([C@@H](C#N)Sc2cccc(Br)c2)C1 2037681034 CJOMGFIEMKLIGW-SMDDNHRTSA-N 324.287 5.260 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccccc1Br 2040530534 RHRSLBZWOXYTSP-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE CC1(C)CCCC[C@]1(C#N)[C@@H](O)c1cc(Cl)c(Cl)s1 2117028176 ZOBOPLGHBFKTAL-FZMZJTMJSA-N 318.269 5.198 30 10 DKEE O=C(C1=Cc2ccccc2C1)c1c(Cl)ccc(Cl)c1Cl 2163963558 KJFJZFYAJZRGNU-UHFFFAOYSA-N 323.606 5.469 30 10 DKEE C=CC[C@H](NCCC)c1ccc(-c2ccc(Cl)cc2)s1 2164220020 IGDCBXBWQFHWGU-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE C[C@H](C[C@@H](C)N(C)CCCCCCCCCS)C(F)F 2177892468 HUAXGJWGTPHVLU-HUUCEWRRSA-N 309.510 5.259 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1ccc(Cl)cc1Cl)C1CC1 2196860011 XIBHPYADMMUSFN-GUYCJALGSA-N 310.268 5.084 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@@H](O)c1ccc(Cl)s1 2207436690 KGAMLXDVGMFGMQ-CZUORRHYSA-N 315.910 5.069 30 10 DKEE C[C@@H](CC(=O)[C@@H](C#N)c1cccc(Cl)c1Cl)C(C)(C)C 2235756214 IOPHQCWPBHOXMA-JQWIXIFHSA-N 312.240 5.242 30 10 DKEE Cc1ncsc1[C@H](C)N(C)CCCCCCCCCS 2237941353 VCWUNYHMSRTWJU-HNNXBMFYSA-N 314.564 5.105 30 10 DKEE C=C(C)CCCC[C@H](O)c1cccc(Br)c1Cl 2250141445 YYKPILBELDZOMF-ZDUSSCGKSA-N 317.654 5.272 30 10 DKEE O[C@@H](C#CC1CCCCC1)c1c(Cl)ccc(Cl)c1Cl 2274061773 IPKITCZWRWDYDR-ZDUSSCGKSA-N 317.643 5.264 30 10 DKEE COc1c(C(=O)C2=CC[C@@H](C(C)(C)C)CC2)csc1Cl 2284304552 KSKNLOVHXXRMKR-LLVKDONJSA-N 312.862 5.365 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1CCN 2287096184 IDYMROKLMZNESM-UHFFFAOYSA-N 311.922 5.460 30 10 DKEE CC(=NOCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 2330449551 LSOZOLPFLIJHDM-UHFFFAOYSA-N 308.208 5.243 30 10 DKEE C=CC[C@H](C)SC[C@@H](NCC)c1cc(Cl)cc(Cl)c1 2335202007 YMFUWJVWWXJIPT-XHDPSFHLSA-N 318.313 5.342 30 10 DKEE CCCCCCCCCC(=O)c1c(Cl)sc(Cl)c1C 2336076218 WNYZIAGMLOJNCU-UHFFFAOYSA-N 321.313 6.687 30 10 DKEE N#Cc1ccc(COc2cc(Cl)c(Cl)cc2Cl)cc1 5958326 GLKSMRXLJPLCJX-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CSc1ccc([C@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@H]32)cc1 14551801 PGFLWAVTLJFTGD-YQVWRLOYSA-N 318.445 5.107 30 10 DKEE C/C(=N/Nc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1 33711710 UFFROSNFXGYGMS-UCQKPKSFSA-N 322.358 5.468 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Sc1cc(Cl)ccc1Cl 37154547 TVQOVUXYQUOEOI-GWCFXTLKSA-N 300.254 5.558 30 10 DKEE COc1cc(C)c(/C=N/Nc2cccc(Cl)c2)cc1C(C)C 59160508 RGCXFUFXWSWQJG-RGVLZGJSSA-N 316.832 5.226 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(SCC)cc2)cc1 83192743 AGYSARSFSPRPPL-VGOFMYFVSA-N 312.434 5.093 30 10 DKEE Cc1ccc(/C=C/C(=O)c2ccc(OCC(C)C)cc2C)cc1 83192980 DMSXMENIZRXTBF-FMIVXFBMSA-N 308.421 5.234 30 10 DKEE CC[C@H](C)C[C@](C)(O)C#Cc1ccc(Oc2ccccc2)cc1 95633810 PDOAYPHXJWQBQN-LAUBAEHRSA-N 308.421 5.018 30 10 DKEE CCCCCCCNC[C@@H](C)Oc1ccccc1[C@@H](C)CC 100027386 BKEOCMZYPYSCAJ-ZWKOTPCHSA-N 305.506 5.527 30 10 DKEE CCCCCOc1ccc(/C=C2/Cc3ccccc3C2=O)cc1 104376351 XZSCEOWFUWSPMC-JXAWBTAJSA-N 306.405 5.078 30 10 DKEE C[C@H](c1cccc(Cl)c1)N(C)c1cccc(Cl)c1C#N 110258532 AMXJMJXRSGAJBP-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCCCCNc1ncc(Cl)cc1Cl 124878720 ZBPVEJXOPJZHKK-UHFFFAOYSA-N 303.277 5.941 30 10 DKEE CCCCCCCCCCC(=O)c1ncc(Cl)cc1Cl 128403098 BNNCWELAQBMRRH-UHFFFAOYSA-N 316.272 6.102 30 10 DKEE CCCCCCCC[C@H](O)c1cccc(F)c1Br 168340774 NBFKKBHLILNAKM-AWEZNQCLSA-N 317.242 5.372 30 10 DKEE N#Cc1c(Cl)cccc1OCc1cccc(Cl)c1Cl 228814404 VUMZQLLFVIEPMG-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CC(C)(C)OC(=O)N=Cc1ccc(Sc2ccccc2)cc1 383681385 CCDPUUPXLYFXDT-UHFFFAOYSA-N 313.422 5.192 30 10 DKEE CC(C)(C#N)CCCCOc1ccc(OCc2ccccc2)cc1 393950881 OTOTZFIZEDPNSG-UHFFFAOYSA-N 323.436 5.364 30 10 DKEE CCCCCCCN[C@@H](CC)c1cccc(Br)c1 703771616 OXVXFRVMVMKSSP-INIZCTEOSA-N 312.295 5.460 30 10 DKEE N#CC1(CCc2cc(Cl)cc(Cl)c2)CCCCCCC1 722118639 DTEPMDQLEASMSX-UHFFFAOYSA-N 310.268 6.180 30 10 DKEE CC(C)(C)c1ccc(C#Cc2cc(C(F)(F)F)ccc2F)cc1 725394747 TYDXOBPCAUWQIE-UHFFFAOYSA-N 320.329 5.542 30 10 DKEE CCCCCCCCC(=O)N[C@H](C)c1cc(C)ccc1OCC 1866089848 JJKVJUIMMBHPST-QGZVFWFLSA-N 319.489 5.322 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 1885238384 VROICWDTUVFMPL-CYBMUJFWSA-N 318.313 5.679 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@H](C)CCCCNC(C)(C)C 1901766093 XLKIZXDBAGNXQC-LJQANCHMSA-N 316.533 5.012 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)C[C@@H](O)CC 1915113144 HMWFALPKGDFKFW-NRFANRHFSA-N 319.533 5.400 30 10 DKEE C#CCCCCC[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 1920026126 LYRWUPLOTVNIJL-GFCCVEGCSA-N 305.632 5.264 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1cscc1OCc1ccccc1 1958090277 IVRCMULAIULZSR-BEFAXECRSA-N 315.482 5.190 30 10 DKEE C=C([C@@H](NCCC)c1scc(Cl)c1Cl)C(F)(F)F 2035089425 HOTRYXXREKGIIG-SECBINFHSA-N 318.191 5.214 30 10 DKEE C=C([C@@H](NC)c1c(Cl)ccc(Cl)c1Cl)C(C)(C)C 2045677082 YUKDMAHENLMRCZ-CYBMUJFWSA-N 306.664 5.510 30 10 DKEE CC(C)(C)[C@H](CS)COCc1cc(Cl)cc(Cl)c1 2077254793 LICSFHQYWNRINA-NSHDSACASA-N 307.286 5.102 30 10 DKEE C=CCCCCCC[C@H](N)c1ccc(Br)c(C)c1 2085838431 CZQXCFFMUJULPJ-INIZCTEOSA-N 310.279 5.284 30 10 DKEE CCCCCCC[C@@H](NC)[C@H](O)c1cc(Cl)c(Cl)s1 2098747632 UGBQYHJFPILTKE-YPMHNXCESA-N 324.317 5.037 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1c(Cl)cccc1Cl 2108214678 XUPQSPNUUPDBOJ-GJZGRUSLSA-N 300.229 5.137 30 10 DKEE C#CCCCCCC[C@@H](NCC)c1ccccc1Br 2113421936 KKZXTFHTFVDYCL-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(C)cc(Br)c1 2123090275 ZXYLOLOBUKDEHG-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE Cc1cccc(Br)c1C(=O)C1=CC[C@@H](C(C)C)CC1 2125180409 KKIZCOAWXDFIOD-CYBMUJFWSA-N 321.258 5.323 30 10 DKEE CCCCCCCC[C@H](NN)c1cc2sc(C)cc2s1 2156532104 VLGYWFQKNNJCFZ-ZDUSSCGKSA-N 310.532 5.526 30 10 DKEE C=C(Cl)C[C@H](CCCCCCCCCCCCC)NN 2177837039 ZWONTBUAARNNDM-KRWDZBQOSA-N 302.934 5.662 30 10 DKEE C#CC[C@H](C)CC(=O)c1ccc(-c2cccc(Cl)c2)s1 2196823144 OQEGZKYULQJWRT-LBPRGKRZSA-N 302.826 5.301 30 10 DKEE CCCCCCCCC[C@H](O)Cc1cc(Cl)cc(Cl)c1 2197955727 NDWKGHQZVFMFTE-KRWDZBQOSA-N 317.300 6.038 30 10 DKEE CCc1ccc(C#N)c(Nc2c(C)cc(Cl)cc2Cl)c1 2201075156 VLEKNYOLTYURQO-UHFFFAOYSA-N 305.208 5.480 30 10 DKEE C#C[C@H](CC(C)C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2226321688 IGEXGABMJNIRNC-GHMZBOCLSA-N 318.675 5.345 30 10 DKEE C=CCCCCCCC[C@H](N)c1cc(Cl)ccc1Cl 2227289113 YIOGWSDHIUXOIU-INIZCTEOSA-N 300.273 5.910 30 10 DKEE C=CCCCCOC[C@@H](NCC)c1cccc(Cl)c1Cl 2234042712 NSYJJZAEPJKPAE-OAHLLOKOSA-N 316.272 5.017 30 10 DKEE C=CCCCCCCC[C@H](NCCC)c1sccc1Cl 2235526641 NEHPGEJVCVVLLY-INIZCTEOSA-N 313.938 6.359 30 10 DKEE CCCCCCCC[C@](C)(O)Cc1cc(F)ccc1Cl 2240622199 QMHPMEGEBHPUSD-KRWDZBQOSA-N 300.845 5.523 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1scc(Br)c1Cl 2242665730 HGFZOSCMZDVUTI-KCJUWKMLSA-N 322.699 5.027 30 10 DKEE CCC[C@@H](CC)[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1 2244771732 PXROZTQPBHGNQW-WBVHZDCISA-N 316.445 5.147 30 10 DKEE CCCCCCCCC[C@H](C)N[C@H](C)COCc1ccccc1 2246064327 UVCWSOZZIPKEQF-VQTJNVASSA-N 319.533 5.711 30 10 DKEE Cc1cc(Cl)c(Cl)cc1N[C@@H](C)c1cccc(C#N)c1 2281488119 MKDHZPJJRUCTEF-NSHDSACASA-N 305.208 5.347 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1sc(C(F)(F)F)cc1C 2295006837 QZFVHQZQEZMNMH-GWCFXTLKSA-N 305.409 5.328 30 10 DKEE CCCCCCCCCC[C@H](O)c1sc(Cl)cc1OC 2295715056 SVNXJCKPUZHWPR-ZDUSSCGKSA-N 318.910 5.974 30 10 DKEE CC(C)n1cc(C=C2Sc3ccccc3C2=O)c2ccccc21 2297320154 JPJQCZIDYAIGTJ-UHFFFAOYSA-N 319.429 5.552 30 10 DKEE C=CCC(CC=C)SCC(=O)c1ccc(Cl)cc1Cl 2335246545 XBHBQTSYINQHOZ-UHFFFAOYSA-N 315.265 5.430 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Cl)c(C(F)F)s1 2345156403 WUGDWQKNPJGIJU-OCCSQVGLSA-N 307.837 5.592 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1cc(Cl)c(OC)cc1Cl 2364038894 AGERBFPNFUVXIC-INIZCTEOSA-N 314.256 5.031 30 10 DKEE Cc1c(C[C@](C)(C#N)c2ccccc2)ccc(Cl)c1Cl 2364220303 RBPUUOIKKVBWMS-QGZVFWFLSA-N 304.220 5.326 30 10 DKEE CCCCCCC[C@H](NCC)c1csc(C(C)(C)F)n1 2367798889 VHSLXEBZOQEABF-ZDUSSCGKSA-N 300.487 5.359 30 10 DKEE C=CC[C@@H](C)[C@H](CCCc1cc(Cl)cc(Cl)c1)NCC 2370492300 SPELJSDOAYQUBF-DYVFJYSZSA-N 314.300 5.506 30 10 DKEE C=C(C)C[C@]1(O)C=CC(c2ccccc2)(c2ccccc2)CC1 22012007 YMWCZKVTJDUOQE-NRFANRHFSA-N 304.433 5.020 30 10 DKEE CCOc1cc(C)c(C(=O)/C=C/c2ccc(C)cc2)cc1C(C)C 83193358 IWFNZERXMZLHSL-VAWYXSNFSA-N 322.448 5.722 30 10 DKEE Cc1ccc(C(=O)/C=C\Nc2ccc(Cl)cc2Cl)cc1C 103030709 RGDOMSBXZFTVSA-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE CCCCCCC[C@@H](C)N[C@@H](c1cccs1)C1CCCC1 109892528 MNFKNGGZZDOWLE-VQIMIIECSA-N 307.547 6.318 30 10 DKEE CCCCCCCC[C@H](CCCCCC)COP(=O)(O)O 114732119 YPFIYMHYZDIPAR-INIZCTEOSA-N 322.426 5.433 30 10 DKEE CCCCCCCCCCCCN[C@@H](C)c1ncc(C)s1 124272380 ARFNATYPHUTTMI-KRWDZBQOSA-N 310.551 6.023 30 10 DKEE Cc1cc(Cl)c(Nc2ccc(C#N)c(Cl)c2)cc1Cl 128268804 SQIMMYBHOVAEAT-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE C[C@@H](CCCC(F)(F)F)Nc1cc(C(F)(F)F)ccc1F 163422925 HWEKPNPLDWCYLO-QMMMGPOBSA-N 317.248 5.378 30 10 DKEE C=CCSc1ccccc1NCc1ccc(F)c(Cl)c1 163792419 GZRVUNSWHQPFFP-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE CCCCCCCCCOc1ccc(-c2ncc[nH]2)cc1Cl 169964115 URZLMNGKJRKIKX-UHFFFAOYSA-N 320.864 5.860 30 10 DKEE C=CCC[C@@H](C)Nc1ccc2cc(Br)ccc2c1 228826602 ITOBIKPGSNNDEJ-GFCCVEGCSA-N 304.231 5.369 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@@H]1CCCSC1 380043124 NZJNCTWRNAXMCI-MSOLQXFVSA-N 300.552 5.802 30 10 DKEE C=CCCCCC[C@H](NCCC)c1coc(Br)c1 393558210 GQMYVVQHAGMBFH-AWEZNQCLSA-N 314.267 5.219 30 10 DKEE C=CC[C@H](CC)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 393785907 XSJGZSVWBONOMV-UWVGGRQHSA-N 306.664 5.652 30 10 DKEE C=C(C)CC[C@H](N)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 407515849 KWVYOEZUHFONRF-AWEZNQCLSA-N 324.852 5.043 30 10 DKEE CC(C)[C@H](C)[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698873405 JQGMNMBDOBIDED-DOTOQJQBSA-N 322.493 5.131 30 10 DKEE CSC(=NC#N)SCc1cccc(-c2ccccc2)c1C 1088667314 CLQMLCRZNGQCPY-UHFFFAOYSA-N 312.463 5.095 30 10 DKEE CC[C@@H](C)N(Cc1ccccc1)C[C@](C)(CS)C(C)(C)C 1893644899 TXERPUUFVCXNRP-VQIMIIECSA-N 307.547 5.269 30 10 DKEE C=CCCCCNc1ccc(Br)c(Cl)c1C 1993949540 FMWGEEGONFPRTC-UHFFFAOYSA-N 302.643 5.179 30 10 DKEE CCCCCCCCCN1CCC(Br)=C(C)C1 2020924530 RGCZGPABWSZFST-UHFFFAOYSA-N 302.300 5.112 30 10 DKEE CCCCCCCN(C)Cc1cc(Br)ccc1C 2075948556 MRPXRKOUNQBHOM-UHFFFAOYSA-N 312.295 5.160 30 10 DKEE C=CC1(C[C@@H](NC)c2ccc(C)c(Br)c2C)CCC1 2111718280 JHSCRANOVLEJSC-OAHLLOKOSA-N 322.290 5.073 30 10 DKEE C=CCC[C@H](C)C[C@H](NCCC)c1ccc(Br)cc1 2113420775 BCVRQMHUVNFTJG-YOEHRIQHSA-N 324.306 5.482 30 10 DKEE C=C([C@H](NCCC)c1cc(C(F)F)cs1)[Si](C)(C)C 2120939317 LDRKUFHRQSGOPA-ZDUSSCGKSA-N 303.494 5.160 30 10 DKEE C=CCCCCC[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2139117988 PZIDMUZEWDZGNP-MRXNPFEDSA-N 300.273 5.260 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cccc(Br)c1 2142442255 UGQBDXLOBNYQIW-KRWDZBQOSA-N 324.306 5.756 30 10 DKEE N#Cc1cc(SCc2ccc(Cl)o2)ccc1C(F)(F)F 2145644367 ZMYDRCHBFMEVSW-UHFFFAOYSA-N 317.719 5.116 30 10 DKEE CC1(C)CCC(C=O)(Cc2ccsc2C(F)(F)F)CC1 2157669753 MHJSCGFQZZXHSY-UHFFFAOYSA-N 304.377 5.095 30 10 DKEE CC(C)CCCCCCN=C1N[C@@H](c2cccs2)CS1 2175637703 YCMKENHNPIYWKZ-CQSZACIVSA-N 310.532 5.088 30 10 DKEE CCCCCCCCCCCCC(=O)c1nc(Cl)cs1 2197069480 JOGUARDPKLNNKS-UHFFFAOYSA-N 315.910 6.290 30 10 DKEE CC(C)[C@@H](C)N(CCCCCCCS)Cc1ccccc1 2242389677 BLGGUIZYSSXZQZ-GOSISDBHSA-N 307.547 5.413 30 10 DKEE CC(C)(C)C#CC=CC[C@H](N)c1cc(Cl)sc1Cl 2256698649 BXWFMLQRINTLQK-NSHDSACASA-N 302.270 5.051 30 10 DKEE C=CCCSc1ccc([C@H](C)NCC)c(C(F)(F)F)c1 2287066161 VHROIIZTGADTKM-NSHDSACASA-N 303.393 5.044 30 10 DKEE C=CCCCCCCCSC[C@H]1CC[C@](F)(CN)CC1 2287197181 ZNTGYAYJDAGDQY-CALCHBBNSA-N 301.515 5.103 30 10 DKEE CCCCCCCC[S@](=N)(=O)CC1(C(F)(F)F)CCC1 2290341084 PNEDTTZAZOAOIG-FQEVSTJZSA-N 313.429 5.126 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1OCc1ccsc1C#N 2294719912 VSGHCZRKLRFVLB-UHFFFAOYSA-N 305.830 5.284 30 10 DKEE C=C1CC(C[C@H](NCC)c2sc(C(F)(F)F)cc2C)C1 2295258262 HTZRQZCATLQKCZ-LBPRGKRZSA-N 303.393 5.082 30 10 DKEE CCC(=NOCc1cccc(C#N)c1)c1ccc(C(C)C)cc1 2330251766 SSEZGWPNFBZNKD-UHFFFAOYSA-N 306.409 5.013 30 10 DKEE C=CC[C@](C)(CC)[C@H](NCC)c1ccc(Cl)c(Cl)c1 2344344008 RACNSPXKOKDIOB-CVEARBPZSA-N 300.273 5.636 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2 14458614 OUGFPSJRZJLGPU-NNMXDRDESA-N 317.432 5.386 30 10 DKEE Cc1ccc(/C=C2/C(=O)c3ccccc3[C@H]2c2ccccc2)cc1 33371959 DEDMDBCEBICOKW-ONQWYEKWSA-N 310.396 5.407 30 10 DKEE CCCCCCCCCOc1c(Cl)cc(Cl)cc1CN 59300118 KRIIEKXYUJBMLQ-UHFFFAOYSA-N 318.288 5.582 30 10 DKEE CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCCCCCCCCS 97799714 ZBEVVONDBFPNRD-GUDVDZBRSA-N 314.579 6.124 30 10 DKEE CCCCCCCCCCCC[C@H](O)c1ccc(Cl)cc1 112885034 DTSRNLLYEJHGGI-IBGZPJMESA-N 310.909 6.684 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Br)c(C)c1 122190045 LRENLHUUKCYIBY-MRXNPFEDSA-N 313.279 5.542 30 10 DKEE Cc1cc(Nc2cc(C(F)(F)F)ccc2Cl)ccc1C#N 126826957 UGDVZUPZXLXCEK-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CC(C)c1cc(Br)ccc1OCCCC(C)(C)C#N 131359411 LFNSGBLQHALJFH-UHFFFAOYSA-N 324.262 5.281 30 10 DKEE CCCCCCCCCC[C@@H](O)Cc1cccc(Cl)c1F 212332548 ZTQRELOVAXWAPB-MRXNPFEDSA-N 314.872 5.913 30 10 DKEE CCCCCCCC(=O)CCCCCNC(=O)OC(C)(C)C 215484577 YNPHOHDQOWWERZ-UHFFFAOYSA-N 313.482 5.001 30 10 DKEE C=C(C)c1cccc(C(C)(C)NC(=O)Nc2c(C)cccc2C)c1 244209056 VTCLLDMTBUGBQB-UHFFFAOYSA-N 322.452 5.393 30 10 DKEE Cc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1F 252460968 JNSHYKBHKBJMLI-UHFFFAOYSA-N 319.379 5.464 30 10 DKEE CC[C@H](C)[C@@H](C)[C@H](C#N)Sc1cccc(Br)c1 319747247 ITIGRKICJWQSDY-WDMOLILDSA-N 312.276 5.116 30 10 DKEE CCC(CC)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698418341 JJXLUKQGNLKERW-QGZVFWFLSA-N 316.445 5.065 30 10 DKEE CCCC[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1F 698855512 ZNIBKDZDZBVQNS-SFHVURJKSA-N 320.408 5.040 30 10 DKEE C=C(Cl)C[C@@H](NC)c1ccc2cc(Br)ccc2c1 710643772 WMJQNTGXSJQKLD-OAHLLOKOSA-N 324.649 5.005 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cccc(OCc2ccccc2)c1 715719798 LGKOTZCWFDEDNE-LAUBAEHRSA-N 309.453 5.128 30 10 DKEE Clc1ccc(/C=N\Sc2nc3ccccc3s2)cc1 1088718253 ABNKJZDJDHYRHL-SXGWCWSVSA-N 304.827 5.076 30 10 DKEE CC1=CCC[C@]2(C)O[C@@H]2CCC(C)=C[C@@H]2OCC(C)=C2CC1 1615217159 OQGXDKRHMBRZCS-ZCNNSNEGSA-N 302.458 5.106 30 10 DKEE C=C(C)Cn1c(-c2c(Cl)cccc2Cl)nc2ccccc21 1873522358 TYIVAVMPKWDFBA-UHFFFAOYSA-N 317.219 5.586 30 10 DKEE C=CCN(CCSc1cc(Cl)ccc1Cl)C(C)(C)C 1884132852 RXXYWOIFXBPALS-UHFFFAOYSA-N 318.313 5.372 30 10 DKEE C=C[C@H](C)C[C@H](Cc1cc(Cl)cc(Cl)c1)NCCC 1893138429 FADPFZPLOKUFSN-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cc(F)ccc1C1CC1 1902213987 WCOQAPIUKLYGFH-UHFFFAOYSA-N 309.428 5.281 30 10 DKEE C[C@@H]1CC[C@H](C#N)[C@@H](N(Cc2ccccc2)Cc2cccs2)C1 1915388733 QYEGWJOPPPQPGG-POAQFYNOSA-N 324.493 5.079 30 10 DKEE CCCCCCC[C@@]1(O)CC(C)(C)[C@H]1OCc1ccccc1 1934904788 STKWSSAJUKLCAH-UYAOXDASSA-N 304.474 5.093 30 10 DKEE CCCC[C@](C#N)(CC)Cc1ccc(F)cc1Br 2045998231 QYGCXRYLQZAOMW-OAHLLOKOSA-N 312.226 5.241 30 10 DKEE C=CC1(CNCc2cc(Cl)sc2Cl)CCCCC1 2069156500 BWLOOPYOQGGRQV-UHFFFAOYSA-N 304.286 5.281 30 10 DKEE CC(C)c1ccc([C@H](C)n2nc(C3CCCC3)cc2C#N)cc1 2070138310 NHPMIJUVQORMGB-HNNXBMFYSA-N 307.441 5.145 30 10 DKEE C=CC1(C[C@H](NCC)c2cccc(C)c2Br)CCC1 2111712187 UXGZLPRVTOOEHT-HNNXBMFYSA-N 322.290 5.155 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cccc(Br)c2C)C1 2125736141 RMTOURVNSDZHRZ-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SCc2ccc(Cl)o2)C1 2145636703 NQZIXWPKZYBHEV-BZPMIXESSA-N 311.878 5.521 30 10 DKEE C=C([C@H](NCCC)c1cc2sc(C)cc2s1)C(C)(C)C 2156531169 JHTCMZBMAPYOLT-INIZCTEOSA-N 307.528 5.914 30 10 DKEE C=CCC[C@H](C)[C@H](CSc1ccc(Cl)cc1)NCCC 2158319243 BAJDPCAETGXTRF-YOEHRIQHSA-N 311.922 5.403 30 10 DKEE C=CC[C@@H](NCCC)c1ccc(-c2ccccc2Cl)s1 2164216039 WFNLLQJWHBAEGU-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1ccc(F)cc1C(F)(F)F 2164270864 QWBSBAIXVJSPQW-CYBMUJFWSA-N 309.734 5.028 30 10 DKEE CCCCCCCCOc1c(C(C)=O)ccc(Cl)c1F 2176895196 MDYTWOAJYAIEIJ-UHFFFAOYSA-N 300.801 5.421 30 10 DKEE C=C1CC(C[C@@H](NCCC)c2cc(C(F)(F)F)cs2)C1 2182163633 HLQBTNJPBSOMQT-CYBMUJFWSA-N 303.393 5.164 30 10 DKEE C=C(F)C[C@H](NCC)c1ccc(-c2ccc(Cl)cc2)s1 2182511679 IPENPQMAXOHIMN-AWEZNQCLSA-N 309.837 5.592 30 10 DKEE C=C1CC([C@@H](NCCC)c2ccc(-c3cccs3)s2)C1 2205947607 IMJDWGNTXDEKSD-QGZVFWFLSA-N 303.496 5.484 30 10 DKEE C=CCCCCCCC[C@@H](NC)c1cc(Br)co1 2220083899 QSKMTVJVIBKSRY-CQSZACIVSA-N 314.267 5.219 30 10 DKEE C=CCCCCCCN[C@@H](C)c1cc(Cl)cc(Cl)c1 2229698231 YKAXRAKNYPKPRU-ZDUSSCGKSA-N 300.273 5.781 30 10 DKEE CCCCCCCC[C@H](C)NCCc1ccsc1Cl 2231932157 HUFYNMFZFRTWPF-AWEZNQCLSA-N 301.927 5.673 30 10 DKEE C=CCCCCCCC[C@](C)(N)c1c(Cl)cccc1Cl 2235531750 CPDGHRNIRLSCJS-KRWDZBQOSA-N 314.300 6.084 30 10 DKEE C=C[C@@H](CCCCC)OCc1cc2sc(CN)cc2s1 2239484966 YLWWVONGJZFTOJ-LBPRGKRZSA-N 309.500 5.073 30 10 DKEE C=C[C@H](C)C[C@H](NC)c1cc(Br)cc(C(C)C)c1 2254736204 IPICSAKBVLHLOV-LRDDRELGSA-N 310.279 5.045 30 10 DKEE CCCCCCCCC[C@@H](O)c1csc(Cl)c1OC 2268852483 UUXNRYBAZNSGIG-CYBMUJFWSA-N 304.883 5.584 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cnc(C(C)(F)F)s1 2289253116 BJEVEPQJJCFQFP-CQSZACIVSA-N 304.450 5.179 30 10 DKEE O=C(C=COc1ccc2ccccc2c1)c1ccc(Cl)cc1 2297535738 YULSHEPLUDMMCU-UHFFFAOYSA-N 308.764 5.269 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cccc(Cl)c1Br 2304060105 USUXJMKYFHOZNU-AWEZNQCLSA-N 315.638 5.278 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(Cl)c(Cl)c1OC 2341932065 VZDXDZLLIIAXNR-ZDUSSCGKSA-N 302.245 5.009 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NN)c1cc(Cl)cc(Cl)c1Cl 2344383211 ZQIBNMJGEGCSHR-UONOGXRCSA-N 321.679 5.144 30 10 DKEE C=CCC(CC=C)Sc1ccc(C)c(Cl)c1C[C@H](C)N 2360745090 ACKZZBBNVHSCCN-ZDUSSCGKSA-N 309.906 5.151 30 10 DKEE CCCN[C@H](C#C[C@@H]1CC1(C)C)c1cc2cscc2s1 2365093065 JXNNZRSUHPDFIC-ZIAGYGMSSA-N 303.496 5.053 30 10 DKEE C=CCC(C)(C)[C@@H](NCCC)c1ccc(F)c(Cl)c1F 2370479556 IJFYYNRLHKKNSH-HNNXBMFYSA-N 301.808 5.261 30 10 DKEE CCCCCC#CC[C@H](NC)c1cc(F)c(Cl)cc1Cl 2377332502 PVGWLBJKGAAAGU-INIZCTEOSA-N 316.247 5.367 30 10 DKEE CC(C)(C)SCCSC1=CC(=O)C[C@H](c2ccccc2)C1 2149055 FGLLLXZNBRZFPT-HNNXBMFYSA-N 320.523 5.282 30 10 DKEE CCCCCCCCCCCCNCc1ccc(Cl)cc1 59717571 UPWRTHFTDISDBX-UHFFFAOYSA-N 309.925 6.351 30 10 DKEE Cc1ccc(C(F)(F)F)cc1Nc1ccc(C#N)cc1Cl 91480100 HQRUZIOHJSLFLM-UHFFFAOYSA-N 310.706 5.283 30 10 DKEE CCCCCCCCCCC[C@H](NCC)c1sccc1C 115857072 UCCHJAPBZBDDHZ-SFHVURJKSA-N 309.563 6.628 30 10 DKEE COc1cc(C#N)ccc1N[C@H](C)c1ccc(Cl)c(Cl)c1 129886531 TWDLDYFBCRGGDP-SNVBAGLBSA-N 321.207 5.047 30 10 DKEE CCCCCCCCC(=O)Cc1ccc(Br)s1 164828267 NLTRRZCOLORVPA-UHFFFAOYSA-N 317.292 5.373 30 10 DKEE CCCCCCCCC[C@H](NC)c1cccc2ccsc12 228969178 MVGFUICYFREIAJ-SFHVURJKSA-N 303.515 6.303 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ccoc1Br 232952140 UJSGNGSQQQKQPS-CQSZACIVSA-N 317.267 5.606 30 10 DKEE CC1(C)OB([C@@H]2C[C@H]2c2ccc(-c3ccccc3)cc2)OC1(C)C 310636519 QYUNZSAOMOOFPS-RBUKOAKNSA-N 320.241 5.303 30 10 DKEE CCCCCCCCC[C@H](O)c1c(Cl)ccc(F)c1F 380152122 XKWBGSBIXQJKOB-AWEZNQCLSA-N 304.808 5.792 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)C2CC2)C1 384360490 LZWYAIYILLIWPH-QWFCFKBJSA-N 310.485 5.006 30 10 DKEE N#C[C@H](CNc1cc(Cl)c(Cl)cc1Cl)C1CCCC1 397168445 ALOUVUDLJAWCAP-SNVBAGLBSA-N 317.647 5.389 30 10 DKEE N#Cc1ccc(Nc2cccc(SC(F)F)c2)c(Cl)c1 690178681 GTVKAWDLCFHEIB-UHFFFAOYSA-N 310.756 5.270 30 10 DKEE N#Cc1cc(NCc2cc3cscc3s2)ccc1Cl 703236261 AXKZCOOJXYEJQS-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE N#CCc1ccc(C(F)F)c2scc(SC(F)(F)F)c12 725297886 ZSGJFLKYIWAFPH-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE Cc1ccc(N=Cc2ccc(N3Cc4ccccc4C3)cc2)cc1 1083951760 PTPHMSRVAIYRBH-UHFFFAOYSA-N 312.416 5.266 30 10 DKEE C/C(=N\OCc1ccc(Cl)cc1F)c1ccc(Cl)cc1 1857936377 JIZLADCSLNBGDQ-VXLYETTFSA-N 312.171 5.073 30 10 DKEE CCCCCCCCNC(=O)C[C@@H](c1ccccc1)C1CC1 1868193351 OCYROWTYFUHPIG-IBGZPJMESA-N 301.474 5.047 30 10 DKEE CCCCCCC[C@H](NCCC)c1sc(Cl)nc1Cl 1886699294 ACOYJTUAGQRBFF-NSHDSACASA-N 323.333 5.851 30 10 DKEE CCCCCCCCO[C@@](C)(CC)CNCc1ccccc1 1915259397 LERXVYOJIGQZQL-FQEVSTJZSA-N 305.506 5.322 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)c1ccc(C#N)cc1 1915386356 YVYNMBHTDXNGIM-MRXNPFEDSA-N 318.445 5.388 30 10 DKEE N#C[C@@H](CN(Cc1ccccc1)C1CCCCC1)c1ccccc1 1946849921 ADPMQMVVMRCDGC-NRFANRHFSA-N 318.464 5.129 30 10 DKEE O=C(C=Cc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 1951307764 QVYPEKCVWOZGPT-UHFFFAOYSA-N 311.595 5.543 30 10 DKEE C=C(c1ccccc1)[C@H](N)c1cscc1OCc1ccccc1 1991751206 VBDVDRRCBCDDQX-FQEVSTJZSA-N 321.445 5.040 30 10 DKEE C=CCCCCCCN1CC[C@]1(C)CCOCc1ccccc1 1995169532 RMEMIHXHSGRIQR-OAQYLSRUSA-N 315.501 5.194 30 10 DKEE C[C@H]1C[C@@](C#N)(Cc2cc(Cl)sc2Cl)CCS1 2019144567 GSQLOIQLFPNQJP-QPUJVOFHSA-N 306.283 5.023 30 10 DKEE C=CCCCCC[S@](=N)(=O)c1cc(Cl)ccc1Cl 2073737506 AXLRFGGTMLHCSQ-SFHVURJKSA-N 306.258 5.145 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1cc(C)cc(Br)c1 2102111679 OCZBBNRERPEOON-PBHICJAKSA-N 324.306 5.401 30 10 DKEE CCCC[C@@](C#N)(CC)[C@H](O)c1ccc(Cl)cc1Cl 2108214459 VWCVCPVVOYSHFA-HUUCEWRRSA-N 300.229 5.137 30 10 DKEE C=CCC[C@@H](C)N[C@H](C)c1cc2cc(Br)ccc2o1 2110808005 OKVOFJLTRPZBIC-VXGBXAGGSA-N 322.246 5.201 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC(C)(C)C1 2112240177 PEJJKJQWKUOAPD-CXAGYDPISA-N 320.274 5.663 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H](O)c1cscc1Cl 2148579760 TVDMMFOXKJVNMY-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE CSc1ccccc1[C@H](C)Nc1cc(Cl)ccc1C#N 2152744668 MSJOJZGNVYEEKC-NSHDSACASA-N 302.830 5.107 30 10 DKEE Cc1nc(Oc2cc(Cl)ccc2C#N)sc1C(C)(C)C 2186491619 YKYZKOBIJNJALK-UHFFFAOYSA-N 306.818 5.066 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(C)c(F)c1Cl 2201705789 YXGKQGUQJYRQLE-HNNXBMFYSA-N 300.845 5.962 30 10 DKEE CCCCCCCC[C@@](C)(N)c1cnc(C(F)(F)F)s1 2240629615 VOQBTVHMZQAGMY-CYBMUJFWSA-N 308.413 5.086 30 10 DKEE CCCCCCCC[C@H](C)Nc1cc(Cl)cc(F)c1F 2240641230 YNZXRKCGNOCTJJ-LBPRGKRZSA-N 303.824 6.169 30 10 DKEE CCCCCCCCC[C@](C)(O)CCCOCc1ccccc1 2246063896 ZSPPKZMXDDVJJG-NRFANRHFSA-N 320.517 5.875 30 10 DKEE C=C(C)C[C@H](NCCC)c1sc(Br)c(C)c1C 2247220247 FRYQZCLUJOGVJQ-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C(C)CCCC[C@@H](N)c1ccc(Cl)cc1Br 2250134044 UHLJXRFVMOGRHP-CQSZACIVSA-N 316.670 5.239 30 10 DKEE C=C([C@@H](NCC)c1sc(C(F)(F)F)cc1C)[Si](C)(C)C 2294986935 PGJTWXKNVZLSIG-GFCCVEGCSA-N 321.484 5.160 30 10 DKEE C=C1CCC(CC(=O)c2csc(C)c2Br)CC1 2303608034 JHYFYJARIGDTLH-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1cc(Cl)cc(Br)c1 2304118623 BNHLSZKRBJWALG-UONOGXRCSA-N 317.654 5.128 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(OC)c(Cl)s1 2340283815 ANCBTHZJMHQKGO-GFCCVEGCSA-N 302.867 5.360 30 10 DKEE C=CC[C@@](C)(CC)[C@H](NC)c1cc(Cl)cc(Cl)c1Cl 2344374428 IBOWKMNVDXCMTP-HUUCEWRRSA-N 320.691 5.900 30 10 DKEE CC(C)(C)[C@](C)(CS)COCc1cc(Cl)cc(Cl)c1 2352106758 IIPPUDXVECERKC-HNNXBMFYSA-N 321.313 5.492 30 10 DKEE C=CC[C@H](C)SC[C@H](NC)c1ccc(Cl)c(C)c1Cl 2353130561 YKPAAHIVWDILTN-HZMBPMFUSA-N 318.313 5.260 30 10 DKEE CC[C@@H]1CC[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)C1 2366901162 VEYYPIWWKIFCSG-DYVFJYSZSA-N 310.268 6.036 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1cc(C(F)(F)F)ccc1Cl 2370567712 JXJWEDAQQXBJCM-AWEZNQCLSA-N 304.739 5.534 30 10 DKEE N#Cc1c(-c2ccccc2)cc(-c2cccc(Cl)c2)nc1S 96887210 ROLDBMOSRJZKQD-UHFFFAOYSA-N 322.820 5.229 30 10 DKEE CCCCCCCC[C@@H]1CCC[C@H]1NCCCCCC(=O)O 111429315 LDSBMPQRBGVMMF-QZTJIDSGSA-N 311.510 5.140 30 10 DKEE CCCCCCCCCSc1ccc(C(OC)OC)cc1 123549728 DRGCEJUVOCJLRH-UHFFFAOYSA-N 310.503 5.821 30 10 DKEE C=CCOc1ccc(CNc2cc(Cl)c(C)cc2Cl)cc1 127958273 FWFHNSPPBWRXDA-UHFFFAOYSA-N 322.235 5.479 30 10 DKEE CCCCCCCCCCOc1cccc(Cl)c1C(=N)N 129255898 LBVRQIIRKMAPEF-UHFFFAOYSA-N 310.869 5.144 30 10 DKEE CCCCCCCC[C@H](NCC)c1snnc1C(C)(C)C 140318570 OUUAASWJPUHLSL-AWEZNQCLSA-N 311.539 5.237 30 10 DKEE CCCCCCCCNc1cc(C)c(Br)c(C)c1 232023435 VUVCYRSXFYAETO-UHFFFAOYSA-N 312.295 5.838 30 10 DKEE Cc1cc(Br)cc(Nc2cccc(Cl)c2C#N)c1 232070096 XUZKQYMUOOUKNF-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C(=NNc1nc(-c2cccc3ccccc23)cs1)c1ccco1 254623543 KLDCIWULZIGYTA-UHFFFAOYSA-N 319.389 5.002 30 10 DKEE Clc1ccc(C=Nc2cccc(Cl)c2Cl)c(Cl)c1 263627679 IAASGXPHUNQLLZ-UHFFFAOYSA-N 319.018 6.051 30 10 DKEE C=CCC(C)(C)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl 311700528 LXCCNBDCPXXICI-JTQLQIEISA-N 304.236 5.385 30 10 DKEE C#C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1Cl)C(C)(C)C 702296491 VTAAVWZUTSFJOS-BXKDBHETSA-N 318.675 5.345 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1 710740543 YDZREQDMHSLHMI-SFHVURJKSA-N 322.408 5.001 30 10 DKEE CC(C)C(C)(C)CSc1ccc(Br)cc1C#N 718791613 QRMUAISCZJXVIU-UHFFFAOYSA-N 312.276 5.095 30 10 DKEE N#CCc1ccc2cc(C(F)F)sc2c1SC(F)(F)F 725297000 FOLCMINLIDEJMG-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE CCSc1ccc(/C(CC)=N/OCc2ccc(C)cc2)cc1 821226096 DJMRXXCBZCSSRH-FMQUCBEESA-N 313.466 5.438 30 10 DKEE CCCCCCC[C@](C)(O)[C@H](N)c1cc(Cl)ccc1Cl 1920357741 VADUUQSAOSZUDX-CVEARBPZSA-N 318.288 5.105 30 10 DKEE CCCCCCCCC[C@H](N)C1CC(OCc2ccccc2)C1 1976723467 OMZIEUPDQLYJQD-CBNMVNINSA-N 317.517 5.450 30 10 DKEE CCCC[C@@](C)(C=O)Cc1cc(Cl)ccc1Br 2000502158 KRSBKQKWRCXGPW-CQSZACIVSA-N 317.654 5.040 30 10 DKEE CCCC[C@](C)(C#N)[C@H](O)c1cccc(OCc2ccccc2)c1 2000513572 LEZZDLQOSXPOBI-NHCUHLMSSA-N 323.436 5.019 30 10 DKEE Cc1sc(Br)cc1C(=O)C1=CCC(C)(C)CC1 2010756334 HWQZSUFSVUBAFK-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE C=CC[C@H](C)C[C@@H](NCCC)c1ccc(Br)cc1 2050518750 ODXXVXKRILMBHH-XJKSGUPXSA-N 310.279 5.092 30 10 DKEE CC1(C)CCCC[C@]1(C)Nc1cccc(Br)c1C#N 2103595299 QXVBUOOIOILAHZ-INIZCTEOSA-N 321.262 5.092 30 10 DKEE C=CCCCCCC[C@](C)(O)c1ccc(Cl)c(Cl)c1 2141999391 MXNACRYBPGOCIM-INIZCTEOSA-N 301.257 5.728 30 10 DKEE CCCCCCC[C@@H](NCC)[C@H](O)c1cc(Cl)sc1C 2154447343 OYLBZTTYXDMIIC-GDBMZVCRSA-N 317.926 5.082 30 10 DKEE C=CCSc1ccccc1NCc1cc(C(F)F)cs1 2177428334 BREQWRMPBOUNLR-UHFFFAOYSA-N 311.422 5.576 30 10 DKEE C=C1CC(C[C@H](NCCC)c2ccsc2C(F)(F)F)C1 2182165284 MUQFNDVDRDJYGB-ZDUSSCGKSA-N 303.393 5.164 30 10 DKEE C=CCCCCCCCC[C@H](NC)c1cc(C)c(Cl)s1 2207416548 XLWPOGUSLIYGMS-HNNXBMFYSA-N 313.938 6.277 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1scc(C)c1Cl 2207433307 YIMKHWNNWFGACC-HNNXBMFYSA-N 314.922 6.440 30 10 DKEE CCCCCCCC[C@](C)(N)C[C@H](C)COCc1ccccc1 2212656582 WYGSVTKNBGNUNZ-FPOVZHCZSA-N 319.533 5.697 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cscc2Br)C1 2214602081 IHHCYKACGOFNJI-CQSZACIVSA-N 312.276 5.163 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(Cl)cccc1Cl 2227288689 WBZAINWHZUTPFW-OAHLLOKOSA-N 300.273 5.910 30 10 DKEE C=CCCCCCCC[C@@]1(N)C[C@@H](C)Sc2sccc21 2235525022 WVGAUOXRVBQNQD-RHSMWYFYSA-N 309.544 5.703 30 10 DKEE CCCCCCCCOc1c([C@@H](C)O)ccc(Cl)c1F 2239468540 RFQWAGPDUDJWRI-GFCCVEGCSA-N 302.817 5.272 30 10 DKEE C=C[C@H](CC)OC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2239486741 JNXHTTHCZNXOHB-CJNGLKHVSA-N 316.272 5.015 30 10 DKEE C=C(Br)CCSC1CC2(C1)CC1(CCC1)C2 2245302211 LYZQHMGVWSYQCT-UHFFFAOYSA-N 301.293 5.131 30 10 DKEE C=CCSc1ccccc1NCc1cc(F)ccc1Cl 2283352214 QPNMPMYLKSGWEA-UHFFFAOYSA-N 307.821 5.369 30 10 DKEE O=C(C=Cc1ccc2ccccc2c1)c1cccc2ccccc12 2295149708 BRXUULTVCRVLCB-UHFFFAOYSA-N 308.380 5.889 30 10 DKEE CCCOc1ccc(C=NNc2ccc(Cl)cc2)cc1Cl 2322953128 HTIXQAYPJHSZOL-UHFFFAOYSA-N 323.223 5.228 30 10 DKEE Cc1c(CO[C@H](C)CC(C)(C)C#N)ccc(Cl)c1Cl 2339521309 UVXUYGOGBNPWGE-SNVBAGLBSA-N 300.229 5.147 30 10 DKEE C=C(C)C[C@H](Cc1ccc(Cl)c(Cl)c1C)NCCC 2341927138 SRKUOGDDWAPPOU-CQSZACIVSA-N 300.273 5.179 30 10 DKEE C=CC[C@@H](C)Sc1ccc(C)c(Cl)c1CNC1CCC1 2360732978 KVGWZEDUJGDGBC-CYBMUJFWSA-N 309.906 5.347 30 10 DKEE CCCCCCCCC[C@@H](N)C1CCC(C(F)(F)F)CC1 139529704 VCMNBNKXDONQAN-UYSNPLJNSA-N 307.444 5.823 30 10 DKEE CCCCCCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1 162334414 MDCSYWKHUGUDDK-KRWDZBQOSA-N 316.316 6.524 30 10 DKEE CC(C)(C#N)CCCNc1cc(Cl)cc(C(F)(F)F)c1 169102227 RSJXZXBLGBXOPL-UHFFFAOYSA-N 304.743 5.101 30 10 DKEE CCC/C=C(CCC)\C(C#C[Si](C)(C)C)=C\[Si](C)(C)C 199523201 LOLPFCLUORHSSR-UJZKLVBASA-N 306.642 6.198 30 10 DKEE C=C/C(C)=C/C[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]21C 248203787 YGBZFOQXPOGACY-XYXOJIDZSA-N 302.458 5.372 30 10 DKEE biogenic C=CCCCCCCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 383721189 DLWCBFXNXQYBAX-UHFFFAOYSA-N 317.216 5.450 30 10 DKEE CCCN(Cc1ccccc1)CC1(CS)CCCCCC1 384420180 WMXZWUOXWFXMMS-UHFFFAOYSA-N 305.531 5.169 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc2cscc2s1 694338529 YXGZGZJMKLORSQ-OAHLLOKOSA-N 309.544 6.364 30 10 DKEE Cc1cc(/C(=N/OCc2ccc(Cl)cc2)C2CC2)ccc1F 821233979 NJOOXWFWQGXKST-DYTRJAOYSA-N 317.791 5.118 30 10 DKEE Clc1ccc(C#Cc2c(Cl)cccc2Cl)cc1Cl 1614730845 JEBYSJRHRMREAB-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE CCCCCCCCCCNC(=O)Cc1ccc(C)c(C)c1 1859577482 CHJHFYMGORWUND-UHFFFAOYSA-N 303.490 5.103 30 10 DKEE CCCCCCC[C@@](C)(O)c1ccc(Br)cc1F 1919615153 VMRVZGKVNLGXIW-OAHLLOKOSA-N 317.242 5.156 30 10 DKEE CCCCCC1CC(C#N)(N(C(=O)OC(C)(C)C)[C@@H](C)CC)C1 1984755009 BRCOZMBYVHJICK-LYGPFTKASA-N 322.493 5.275 30 10 DKEE C=C(C)CC[C@H](NC)c1cc(Cl)c(C)c(Br)c1 2002242186 LMTJOJKLIBSNPT-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE C=CCCCC[C@H](NCC)c1sc(C)cc1Br 2009483934 GWGMQAYLQHNQLS-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(Br)cc2)C1 2049513828 CORZSPMOYLYKEM-INIZCTEOSA-N 306.247 5.102 30 10 DKEE C=CCCCC[C@H](NCCC)c1ccc(C)c(Br)c1 2123080594 OHRJMKDHWUGBNO-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCC[C@@H](C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl)C(C)C 2144873455 NXEJKUPTCPFLON-NEPJUHHUSA-N 312.240 5.242 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1ccc(SC(F)(F)F)cc1 2164258499 VJJNZXDLSPVNEM-BXUZGUMPSA-N 303.393 5.161 30 10 DKEE C#CCCCC[C@@H](NCCC)c1csc(C(F)(F)F)c1 2173492485 APQZWADGMGRTOW-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=CCC(C)(C)OC[C@@H](NCC)c1c(Cl)cccc1Cl 2187285014 ZGCLIVMVTZKANY-CQSZACIVSA-N 316.272 5.015 30 10 DKEE C=CCCCCCCCC[C@H](N)c1cc(Cl)cc(Cl)c1 2207440215 YECJJKMMTCJALT-KRWDZBQOSA-N 314.300 6.300 30 10 DKEE C=CCCCCCCC[C@@H](O)c1ccsc1Br 2214614894 GCALMCBOWRKISN-CYBMUJFWSA-N 317.292 5.461 30 10 DKEE C=C(COCCCCCCCCCC)B1OC(C)(C)C(C)(C)O1 2216936606 YXPYGGMUQONKTG-UHFFFAOYSA-N 324.314 5.331 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@@H](C)NCC)cc1C 2217348984 SCIYNBLDNOXXFS-LJQANCHMSA-N 322.496 5.248 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2227307705 AYVGSCLBWYUOQB-CQSZACIVSA-N 320.691 6.044 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)Cc2cc(Cl)ccc2Cl)CC1 2234053822 NATIYRHTQJBVTI-GFCCVEGCSA-N 311.252 5.488 30 10 DKEE CCCc1ccc(C#C[C@H](N)c2scc(Cl)c2Cl)cc1 2239721824 JZIKQBHUCNOMSW-AWEZNQCLSA-N 324.276 5.059 30 10 DKEE CCCCCCCC[C@@H](C)N[C@H](C)C(F)(F)C(F)(F)F 2240639556 GTIFTBCCJCTFEI-VXGBXAGGSA-N 303.359 5.301 30 10 DKEE C=C(C)CCCCC(=O)c1ccccc1NC(=O)OC(C)(C)C 2244651437 WAEFRCAKDJKASA-UHFFFAOYSA-N 317.429 5.353 30 10 DKEE CCCCCCCCCCC(=O)c1cocc1Br 2258131865 ZXHGFTSOQRWFDU-UHFFFAOYSA-N 315.251 5.756 30 10 DKEE C=CC(C)(C)CCNCc1cc(Br)cc(C(C)C)c1 2265969970 VLEDAFFYQGZQJT-UHFFFAOYSA-N 324.306 5.264 30 10 DKEE Cc1cc(OCC=CC#CC(C)(C)C)cc(C)c1Br 2268726183 NGWXAACJWRUEGB-UHFFFAOYSA-N 321.258 5.050 30 10 DKEE CCc1cc(Br)ccc1NCC=CC#CC(C)(C)C 2268763892 VMRKFTGWRMEEPO-UHFFFAOYSA-N 320.274 5.029 30 10 DKEE CCN[C@@H](C#CC1CCCCC1)c1cc(Cl)c(Cl)s1 2273981534 CLSHIPKLENGFOL-ZDUSSCGKSA-N 316.297 5.289 30 10 DKEE CCCCCCC[C@@H](OCCCN)c1ccsc1Cl 2276769463 FBVRMJUQSKIKFA-CQSZACIVSA-N 303.899 5.169 30 10 DKEE CCCCCCCCC[C@H](C)NCc1cc(Cl)cs1 2278240480 ZPWYJWWZEABKNB-AWEZNQCLSA-N 301.927 6.020 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Cl)c(Cl)cc1OC 2279048475 WCZDPHOWUIBRFY-HNNXBMFYSA-N 318.288 5.752 30 10 DKEE N#Cc1ccc(CSC[C@@H]2CCCCC2(F)F)c(Cl)c1 2283106205 DTWZIIVKJUGPAT-ZDUSSCGKSA-N 315.816 5.270 30 10 DKEE C=CCCCCCCCSC[C@H](N)c1cccc(Cl)c1 2287190535 ZKDJJUFYVXNTAP-KRWDZBQOSA-N 311.922 5.600 30 10 DKEE C(=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccncc1 2297535894 MDMVOODOQUVIFZ-UHFFFAOYSA-N 316.448 5.300 30 10 DKEE C=CCC(CC=C)[C@H](NC)c1cccc(OCc2ccccc2)c1 2301068568 MTUGJQLXOWTMMD-QFIPXVFZSA-N 321.464 5.295 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1c(C)sc(C)c1Br 2304055124 IIMCMQYEMUUSPM-CQSZACIVSA-N 315.276 5.303 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1sc(C)c(C)c1Br 2304077572 AKPKRHZOTBYUQT-AWEZNQCLSA-N 315.276 5.303 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(C)c(Br)cc1C 2319286486 KTGGILPEVVODEL-MRXNPFEDSA-N 310.279 5.073 30 10 DKEE FC(F)(F)c1ccc(OC[C@@H](CS)C2CCC2)c(Cl)c1 2366820656 XRZITBJRJOPFPL-JTQLQIEISA-N 324.795 5.084 30 10 DKEE C[C@@H]1CC=C(C(=O)CCCc2cc(Cl)cc(Cl)c2)CC1 2366839285 ZCPLSLVBMOKMEV-GFCCVEGCSA-N 311.252 5.632 30 10 DKEE C=CC[C@](C)(CC)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NC 2370495259 BBLQCQURFDVCOW-WBVHZDCISA-N 314.300 5.425 30 10 DKEE Cc1ccccc1NC1=CC(=O)C[C@H](c2ccc(Cl)cc2)C1 58866365 WBWDBTWPRMTHFJ-OAHLLOKOSA-N 311.812 5.091 30 10 DKEE CCc1ccc(C(=O)/C=C\Nc2cc(Cl)ccc2Cl)cc1 101410309 SDLHTQAVTFSXEF-KTKRTIGZSA-N 320.219 5.364 30 10 DKEE CCCCCCCCCCCC(=O)N1CCCc2ccccc21 106497311 VRSVKJWLYZGCSE-UHFFFAOYSA-N 315.501 5.887 30 10 DKEE CCCCCCCC[C@@H](O)Cc1cccc(C(F)(F)F)c1 116722600 FLZMZSSBXWYIKX-MRXNPFEDSA-N 302.380 5.359 30 10 DKEE CCCCCCCCC(=O)c1ccc(C)c(Br)c1 164745788 XXTUEXRXNGOHTB-UHFFFAOYSA-N 311.263 5.691 30 10 DKEE N#Cc1ccc(NC(c2cccs2)c2cccs2)c(F)c1 168288900 HRLHFMKOEIQHCF-UHFFFAOYSA-N 314.410 5.022 30 10 DKEE C[C@@H](F)C#Cc1ccc(C#Cc2cc3ccccc3s2)s1 221658694 AHDZDYPVZGNKNS-CYBMUJFWSA-N 310.418 5.072 30 10 DKEE CCCCCCCCCC(=O)c1cnc(C(F)(F)F)s1 232912070 OLRJBXSFFGAZDQ-UHFFFAOYSA-N 307.381 5.485 30 10 DKEE C=CCCCCC[C@H](NCCC)[C@@H]1SCCS[C@H]1CC 300278242 OSKYZIJMMBGUMT-ULQDDVLXSA-N 315.592 5.118 30 10 DKEE CC(C)(C)OC(=O)/N=C/c1cc(Cl)cc(Cl)c1Cl 307559744 XNMORTZKXQVRHP-OMCISZLKSA-N 308.592 5.001 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2cc(Cl)sc2Cl)CC1 312687889 LEFUAJAMNNUSMM-VTGPFMDVSA-N 318.269 5.198 30 10 DKEE C[C@@H](Nc1ccc(CC#N)cc1)c1c(Cl)cccc1Cl 400856712 KZQQHDUFEGOSMG-LLVKDONJSA-N 305.208 5.233 30 10 DKEE CCCCCCCCCCN1CCC=C(Br)C1 404153240 RCJOVJIIGCPNQU-UHFFFAOYSA-N 302.300 5.112 30 10 DKEE C[C@@H]1CCCC[C@H]1[C@H](C#N)Sc1ccccc1Br 704941146 VLMUGCIJULGOFL-JMSVASOKSA-N 324.287 5.260 30 10 DKEE C=C(COCc1ccccc1)[C@H](NCC)[C@H](CC(C)C)C(C)C 1922072203 RXQSYLWGWXIPHR-RTWAWAEBSA-N 317.517 5.056 30 10 DKEE O=C(C=Cc1ccccc1)c1cscc1OCc1ccccc1 1939532817 ZMXMDCJGRHUOFO-UHFFFAOYSA-N 320.413 5.223 30 10 DKEE C=C1CCC(N[C@H](C)c2ccc(OCc3ccccc3)cc2)CC1 1951230516 IELGSLRXNOHVRN-GOSISDBHSA-N 321.464 5.415 30 10 DKEE CCCCCCCN[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1 1977481083 IWANPFAJGNNRBT-HMXCVIKNSA-N 317.517 5.320 30 10 DKEE C=C(Cl)C[C@@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2000326162 HWLDGVQMGTVMMF-SNVBAGLBSA-N 313.055 5.440 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cc(Br)sc2C)CC1 2010763564 KPVFDVVWVVYYCJ-JTQLQIEISA-N 313.260 5.138 30 10 DKEE CCCCCCCC(=O)c1cc(C)cc(Br)c1F 2028917459 JGEJWDWFDWSRRX-UHFFFAOYSA-N 315.226 5.440 30 10 DKEE CC(C)CC[C@H](C)[C@@H](C#N)c1ccc(Br)cc1F 2085292033 TXHVJHHXQBDMPP-SMDDNHRTSA-N 312.226 5.268 30 10 DKEE CCCCCCCCCCC1(C#N)CCC2(CC1)OCCO2 2087952415 ZYTDMSRLVWVHID-UHFFFAOYSA-N 307.478 5.344 30 10 DKEE CCCCCCCCC(=O)[C@@H](O)c1cc(Cl)c(Cl)s1 2098758521 WIMAWCMIGKUIAW-CYBMUJFWSA-N 323.285 5.408 30 10 DKEE C=C1C[C@@H]1C[C@H](NCCC)c1c(Cl)ccc(Cl)c1Cl 2107939024 DYICGOQOQSEILU-MFKMUULPSA-N 318.675 5.654 30 10 DKEE C=CCCCCCCCCNCc1snc(Cl)c1Cl 2142446633 CXONSCVHAOHWMM-UHFFFAOYSA-N 321.317 5.456 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc2sc(C)cc2s1 2156532556 AQXVROOPHAQICW-CQSZACIVSA-N 307.528 6.058 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1ccc(SC(F)(F)F)cc1 2164268954 HTIIOTYGLNTAKD-ZDUSSCGKSA-N 323.811 5.482 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cc(C(F)(F)F)cs2)C1 2168541518 QFVFWWMUJLCBFB-CQSZACIVSA-N 301.377 5.420 30 10 DKEE CCCCC#CC[C@H](NCC)c1cc2sc(C)cc2s1 2203819284 MAWGCLVZDHMQMR-AWEZNQCLSA-N 305.512 5.506 30 10 DKEE C=C[C@@H](C)C[C@@H](NCCC)c1c(Cl)ccc(Cl)c1OC 2204229189 CQAYOWODKHFMND-BXUZGUMPSA-N 316.272 5.255 30 10 DKEE CCCCCCC[C@](C)(N)c1ccc(-c2cccs2)s1 2205936489 CUSZVICYIGQQTK-KRWDZBQOSA-N 307.528 6.011 30 10 DKEE C=CCCCCCC[C@H](NC)c1ccsc1C(F)(F)F 2206885754 NIIXMDZDILFGIR-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE C=CCCCCCCCCC(=O)[C@@H](O)c1ccc(Cl)s1 2207381014 FGMAQUSULAIKGL-MRXNPFEDSA-N 314.878 5.311 30 10 DKEE C=C[C@H](C)C[C@@H](NCCC)c1cc(Cl)c(Cl)c(Cl)c1 2224368132 ATSRXWUEYOVCHU-IINYFYTJSA-N 320.691 5.900 30 10 DKEE CCCCCCC[C@@](C)(N)CCCC(F)(F)C(F)(F)F 2240466634 MAFFKAQXFMVZCM-GFCCVEGCSA-N 303.359 5.432 30 10 DKEE C=CCCC[C@H](NCC)c1cc(Cl)c(OC)cc1Cl 2266783462 UFNLKDWROHZGTD-AWEZNQCLSA-N 302.245 5.009 30 10 DKEE CCCCCCC[C@H](NCC)c1csc(Cl)c1OC 2268920567 YSBHOLPNIQLEAJ-ZDUSSCGKSA-N 303.899 5.421 30 10 DKEE C=CCCCCCCCSc1cc(Cl)c(F)cc1N 2271586298 PJRBJUIUDFKATI-UHFFFAOYSA-N 301.858 5.680 30 10 DKEE CCCC(CS)(CCC)CSC[C@@H](OC)C1CCCC1 2284029617 CSWIVGBVBGOCDA-MRXNPFEDSA-N 318.592 5.441 30 10 DKEE Cc1cc(SCCCCCCCS)nc2ccccc12 2294774284 HGKQPTBUDHROFQ-UHFFFAOYSA-N 305.512 5.516 30 10 DKEE C=C([C@@H](NCC)c1sc(C(F)(F)F)cc1C)C(C)(C)C 2295255920 GCUGCDNLQPTQIE-GFCCVEGCSA-N 305.409 5.328 30 10 DKEE C=C1CCC(CNc2ccc(C)c(C)c2Br)CC1 2315018142 YHWSNLHJTMWVHN-UHFFFAOYSA-N 308.263 5.224 30 10 DKEE C=CC[C@@H](C)SC[C@H](NC)c1cc(Cl)cc(Cl)c1F 2335187566 KCUDYBGJMKSZEM-RNCFNFMXSA-N 322.276 5.091 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1c(Cl)cc(C)cc1Cl 2353056405 IKHIPZZNCCNXKR-MLGOLLRUSA-N 300.273 5.555 30 10 DKEE C=CCC(CC=C)SC[C@H](NCC)c1ccc(Cl)cc1 2360338449 VCDKHKAQMBKBLW-KRWDZBQOSA-N 309.906 5.245 30 10 DKEE Cc1c(C[C@@]2(C=O)CCCC(C)(C)C2)ccc(Cl)c1Cl 2364265687 NLSVIRBJTDPOEG-KRWDZBQOSA-N 313.268 5.630 30 10 DKEE Cc1ccc(S[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2C#N)cc1C 37155455 JLSVFLACVCLHHH-RYRKJORJSA-N 301.499 5.750 30 10 DKEE N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 37346295 CDJVMMMPADVQOO-CYBMUJFWSA-N 324.594 5.137 30 10 DKEE CCCCCCCCSc1ccc(C(F)(F)F)cc1N 59992524 RLDSEVAZXHKZKZ-UHFFFAOYSA-N 305.409 5.740 30 10 DKEE N#C[C@@H](C(=O)CCC1CCCCC1)c1ccc(F)cc1Cl 62610281 MXHODKRKEZIIAM-OAHLLOKOSA-N 307.796 5.016 30 10 DKEE CCOc1cccc(/C=C/C(=O)c2ccc(SCC)cc2)c1 83192740 KOOQDPPAZOKXFD-MDWZMJQESA-N 312.434 5.093 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccccc1O[C@H](C)CC 100048570 BMSUMUCDSNKDOB-MSOLQXFVSA-N 305.506 5.875 30 10 DKEE CCCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2 108839129 BXIAVMBKCBPLPH-UHFFFAOYSA-N 319.533 5.460 30 10 DKEE CCCCCCCCCCCC[C@H](CS[C@@H](C)CC)NC 115645911 OQXYDCWTICDCDI-RBUKOAKNSA-N 315.611 6.417 30 10 DKEE CCCCCCC[C@H](N)c1cc(Cl)c(Br)s1 127112290 DFXITQNZLSKXEA-JTQLQIEISA-N 324.715 5.524 30 10 DKEE CCCCCCCCCCCC(=O)Oc1ccc(OC)cc1 136432106 UOHXNBCEJNQXQQ-UHFFFAOYSA-N 306.446 5.522 30 10 DKEE CCCCCCCC(=O)c1cc(C)c(Br)c(C)c1 159971929 LYKUQYYPEPKPMD-UHFFFAOYSA-N 311.263 5.609 30 10 DKEE COc1ccc(N/N=C/c2ccc(C(C)(C)C)cc2)cc1Cl 169877458 IBRBIFJLRXMGKB-UDWIEESQSA-N 316.832 5.092 30 10 DKEE CCCCCCCCNc1ccccc1C(=O)c1ccccc1 220214997 HDIPZFZFIVJJBM-UHFFFAOYSA-N 309.453 5.690 30 10 DKEE CCCCCCCCCOc1c(C=O)cc(Cl)cc1OC 229081721 IUNKSMOGWNPSGU-UHFFFAOYSA-N 312.837 5.291 30 10 DKEE Cc1cccc(N[C@H](C)c2cc(Cl)sc2Cl)c1C#N 235249993 INNMFLCRIVLVCK-SECBINFHSA-N 311.237 5.408 30 10 DKEE CCN(CC)c1ccc(N=Cc2cccc(Cl)c2Cl)cc1 252460957 JLLMTTIEOVGNLL-UHFFFAOYSA-N 321.251 5.590 30 10 DKEE CCc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1 254517328 RWTOIGSBBAEWNF-UHFFFAOYSA-N 314.432 5.290 30 10 DKEE CCCOc1ccc(C=Nc2sc3c(c2C#N)CCCC3)cc1 254517346 GDIMANQHQSGLIP-UHFFFAOYSA-N 324.449 5.038 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccsc1C(F)(F)F 394908681 LXDYIDHLNAPAAQ-CYBMUJFWSA-N 307.425 5.907 30 10 DKEE C=CCCC[C@@H](C)NCc1ccc(SC(F)(F)F)cc1 398082238 RWPNPYIFRZSYDW-GFCCVEGCSA-N 303.393 5.133 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1Cl 398183679 PDLCFQOUCGIIDL-WBMJQRKESA-N 300.273 5.779 30 10 DKEE CCCc1ccccc1Oc1cccc(Br)c1C#N 699504930 BIQFHTHLBCSQHV-UHFFFAOYSA-N 316.198 5.066 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1cscc1Cl 710476801 UUHJEDNDOQZVNA-KRWDZBQOSA-N 315.954 6.583 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1c(Cl)cccc1Cl)NCCC 715750798 XKNOBEFVVZUYBG-MLGOLLRUSA-N 300.273 5.116 30 10 DKEE C=C1CC(CNCC(C)C)(Cc2cc(Cl)sc2Cl)C1 1883099194 VEDVSQSTFGKGPV-UHFFFAOYSA-N 318.313 5.179 30 10 DKEE CCCCCCCCCN1CC[C@@H](COCc2ccccc2)C1 1990779484 SRULQSGAZYVMIQ-OAQYLSRUSA-N 317.517 5.276 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C#N)CCCC12CC2 2053368075 YGPBBLNBUWLOES-BLLLJJGKSA-N 304.231 5.027 30 10 DKEE CCOc1cc(C(F)(F)F)c(C(F)F)cc1C(F)(F)F 2060221773 AROUSAMUPUWKNI-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE C=CCCCCCCCCOc1cccnc1Br 2086281397 VDLUGUQTHKPIAM-UHFFFAOYSA-N 312.251 5.140 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2snc(Cl)c2Cl)CC1 2125216933 HMRHOCQISSYNLS-SECBINFHSA-N 318.269 5.405 30 10 DKEE C=CCCCCCCCC[C@](C)(O)c1csc(Cl)c1 2142439506 AYACLHUFMPRSCT-INIZCTEOSA-N 300.895 5.916 30 10 DKEE CCCN[C@@H](CC#CC1CCCCC1)c1csc(Cl)c1 2149848812 CBPGOINROLTPJF-INIZCTEOSA-N 309.906 5.416 30 10 DKEE CCCCCCCCCC[C@@H](N)c1c(Cl)cncc1Cl 2154655650 HUUOISIAHUZHGG-OAHLLOKOSA-N 317.304 5.919 30 10 DKEE CCCC(CS)(CCC)CN(C)[C@H](C)Cc1ccsc1 2170254048 MZPNESKYJOHESF-OAHLLOKOSA-N 313.576 5.127 30 10 DKEE CCCCCCCCCC[C@]1(N)CS[C@H](C(F)(F)F)C1 2189226746 UCTPJYVZYVRTND-UONOGXRCSA-N 311.457 5.283 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1ncc(Cl)cc1Cl 2207430795 YJDVAVPSLISVTI-OAHLLOKOSA-N 315.288 5.695 30 10 DKEE CCCC#C[C@H](NCCC)c1cc(-c2cccs2)cs1 2233783895 YAWPHHJVGIVXSH-HNNXBMFYSA-N 303.496 5.321 30 10 DKEE CCCC1(C(=O)[C@H](C#N)c2cc(Cl)ccc2Cl)CCC1 2234054750 WNMVEPZDXBXBCH-CYBMUJFWSA-N 310.224 5.140 30 10 DKEE C=CCC[C@H](C)[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2265966283 ZVPRITPKPBHIQA-SUMWQHHRSA-N 324.306 5.435 30 10 DKEE C#CCCCCC[C@@H](O)c1cc(Br)cc(C(C)C)c1 2266003631 SVNVZUJPCMGUCA-QGZVFWFLSA-N 323.274 5.190 30 10 DKEE Cc1ccc(NC=CC(=O)c2ccc3ccccc3c2)cc1Cl 2297506088 XPWKUPYPYWHIRZ-UHFFFAOYSA-N 321.807 5.610 30 10 DKEE CCC(=NOCc1cccc(Cl)c1)c1ccc(Cl)cc1 2330252071 YPEVCSIYEWZPPJ-UHFFFAOYSA-N 308.208 5.324 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(F)c(Cl)cc1Cl 2349797458 PXYZFIKTHZGISR-HNNXBMFYSA-N 302.220 5.785 30 10 DKEE CCCCCCCCCC[S@@](=N)(=O)CC[C@@H](C)C(F)F 2364119648 ONPWUMVWFNBVMF-JLTOFOAXSA-N 311.482 5.465 30 10 DKEE C=C[C@](C)(CNCC(C)C)Cc1ccc(Cl)c(Cl)c1C 2364215160 RLXKMGRVIIEDOU-KRWDZBQOSA-N 314.300 5.282 30 10 DKEE CC1(C)CC(CS)(CSc2nccc3ccccc23)C1 2371133731 PTHUVOUIUYRLJV-UHFFFAOYSA-N 303.496 5.063 30 10 DKEE N#Cc1cccc(-c2csc(CSC3CCCCC3)n2)c1 87151414 YGLTYBSWHMKDKD-UHFFFAOYSA-N 314.479 5.248 30 10 DKEE CC1(C)CCC(C#N)([C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 91880639 OTSDYNNQRQBJBG-AWEZNQCLSA-N 312.240 5.137 30 10 DKEE SCC1(COc2ccc(Cl)cc2Cl)CCCCCC1 94582984 DMYMQJZEKJUUTR-UHFFFAOYSA-N 319.297 5.643 30 10 DKEE CCCCCCCCCCn1c(C(C)(C)O)nc2ccccc21 101904451 IIBWZOJBTOZWEK-UHFFFAOYSA-N 316.489 5.404 30 10 DKEE CCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 106562597 IFMNJYZXADGJPY-UHFFFAOYSA-N 316.470 5.499 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(Br)cs1 112721357 VOEUPSPEVCTSAF-ZDUSSCGKSA-N 318.324 5.651 30 10 DKEE CCCCCCCCC[C@H](CSc1ccc(C)cc1)NC 116708446 JHVVDTRDDWHAPH-GOSISDBHSA-N 307.547 5.816 30 10 DKEE CC(C)(C)C1CCC([C@@H](C#N)Nc2cccc(Cl)c2)CC1 130048626 YNPAEVLPEQPXDP-MQBCKMQZSA-N 304.865 5.497 30 10 DKEE CCCCCCCCNc1ccc(Br)cc1C#N 132292985 XEFOJKPWMLXRGA-UHFFFAOYSA-N 309.251 5.093 30 10 DKEE C[C@@H](N[C@H](C)c1ccc(C#N)s1)c1ccc2ccccc2c1 134663434 SYNREYZHSWYLAF-ZIAGYGMSSA-N 306.434 5.185 30 10 DKEE CCCCCCCCCCCCSCC(=O)c1ccccc1 137209341 MWFGMEKTBYGCMW-UHFFFAOYSA-N 320.542 6.523 30 10 DKEE CCCCCCCCOc1cc(F)cc(Br)c1 157270761 IZHVNPKIGFRXJC-UHFFFAOYSA-N 303.215 5.328 30 10 DKEE CCCCCCCCCCCC[C@@H](O)[C@@](C)(CC)OCC 161815992 GRBUFOZBZQHNJH-RTBURBONSA-N 300.527 5.864 30 10 DKEE CCc1ccccc1-c1sc(C#N)c(N)c1-c1cccs1 162172441 WLXNDGLCITUEID-UHFFFAOYSA-N 310.447 5.160 30 10 DKEE C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(C#N)cc1Cl 162901790 LFBMTFWJARICIF-LBPRGKRZSA-N 319.235 5.058 30 10 DKEE C=CCCC[C@@H](C)N[C@@H]1CCOc2c(Cl)cc(Cl)cc21 398053760 CFQDYXJMQITQRN-IAQYHMDHSA-N 314.256 5.151 30 10 DKEE CCCC1([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CC1 687557553 YAKWLUHQLHDUHD-INIZCTEOSA-N 320.477 5.029 30 10 DKEE CCCCCCCOC[C@H](NC)c1ccc(Cl)cc1Cl 709507150 RMRLQMDZMOOIOT-INIZCTEOSA-N 318.288 5.241 30 10 DKEE CCCCCCCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 1866089971 SBYBVLZFSNOCFN-KRWDZBQOSA-N 315.501 5.493 30 10 DKEE C=C([C@H](NCCC)c1csc2c1CCCC2)[Si](C)(C)C 1922876873 XPNXUJLBZVEZOB-KRWDZBQOSA-N 307.579 5.101 30 10 DKEE C=C(C)CC[C@H](N)c1ccc(C)c(C)c1NC(=O)OC(C)(C)C 1925655965 JCGWFAKKXDTNRC-INIZCTEOSA-N 318.461 5.007 30 10 DKEE C=C([C@@H](NCC)c1cccc(OCc2ccccc2)c1)C(C)(C)C 1947453691 OACNLIPBBSTVJU-OAQYLSRUSA-N 323.480 5.519 30 10 DKEE C=CC[C@H](C)Nc1ccc(NC(=O)OC(C)(C)C)cc1Cl 1955211894 WAHXBLCHVRQECJ-NSHDSACASA-N 310.825 5.064 30 10 DKEE C=CC[C@H](CC)N[C@H]1CCC(C)(C)C[C@@H]1OCc1ccccc1 1977483893 FOURYWLLIOXGGV-UFYCRDLUSA-N 315.501 5.095 30 10 DKEE C=CCCCC[C@H](NCC)c1cccc(Br)c1C 2059114875 NNOODPQJGNOAGQ-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC(C)c1cccc([C@@H](C)n2nc(-c3ccccc3)cc2C#N)c1 2070133387 ZXALZYPPWDIPQF-MRXNPFEDSA-N 315.420 5.154 30 10 DKEE C=CCCCCC[C@H](NCCC)c1snc(Cl)c1Cl 2110889824 UMOZROXJGMZDHG-NSHDSACASA-N 321.317 5.627 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(Cl)c(Cl)c1OC 2138621473 VJZRIFCRHDPHHR-ZDUSSCGKSA-N 302.245 5.009 30 10 DKEE C=CCCCCCC[S@@](=N)(=O)c1cc(Cl)cc(Cl)c1 2141923059 KTZQIDUYBOJXCJ-LJQANCHMSA-N 320.285 5.536 30 10 DKEE C=CCCCCCCCCC[C@H](N)c1nc(Cl)cs1 2142432409 RWKYHHOMGNDPFB-ZDUSSCGKSA-N 300.899 5.493 30 10 DKEE O=C(C1=CCCCCC1)c1ccc(C(F)(F)F)c(Cl)c1 2146761372 AMWBJBLJNSAZQF-UHFFFAOYSA-N 302.723 5.432 30 10 DKEE CC[C@H]1CCC[C@](C=O)(Cc2cscc2C(F)(F)F)C1 2157199202 ATKGFRYJESIYID-SMDDNHRTSA-N 304.377 5.095 30 10 DKEE C=CCCC(C)(C)NCc1ccc(C(F)(F)F)c(Cl)c1 2164686047 KDKMZPFMABMLCV-UHFFFAOYSA-N 305.771 5.193 30 10 DKEE N#C[C@@]1(Cc2cnc(Cl)cc2Cl)CCCCC12CCC2 2173620435 XXRMEGPYYZXLFQ-INIZCTEOSA-N 309.240 5.185 30 10 DKEE CCCCCCCCC(=O)c1ccc(OC)c(Cl)c1Cl 2203392798 HAGDABQHOAJAKQ-UHFFFAOYSA-N 317.256 5.935 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)c(Cl)c1 2224386516 TYSBEBRSIDQMAV-CQSZACIVSA-N 323.691 6.431 30 10 DKEE N#Cc1cc(Br)ccc1NCCCCCCC1CC1 2225788451 PXVUKEZMOLQBMD-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CCCCCCCC[C@@H](NN)c1cc(C)c(Cl)s1 2227288545 PSBKRTUJTDOFMB-CYBMUJFWSA-N 300.899 5.131 30 10 DKEE O=C(CC#CC1CCCCC1)Cc1cccc(Cl)c1Cl 2235757512 RJWHOJPWZJXMKK-UHFFFAOYSA-N 309.236 5.079 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1cc(Br)cc(C(C)C)c1 2265989212 FNBYLIKTEZBCJT-DYVFJYSZSA-N 324.306 5.435 30 10 DKEE CC(C)(C)c1cc(Br)cc(C2=CC(=O)CCCC2)c1 2272999192 OPUINMIZGNTLBT-UHFFFAOYSA-N 321.258 5.273 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(Cl)c(Cl)cc1C 2284827314 FBNPNVNMVVOEGS-KRWDZBQOSA-N 316.316 6.226 30 10 DKEE C=CCCCCCCCSc1csc(CNC2CC2)c1 2287063538 RMWIEHVGFNUBCB-UHFFFAOYSA-N 309.544 5.619 30 10 DKEE CCCCCCCCC[C@@H](O)c1cnc(C(C)(F)F)s1 2289310505 XCXCHWVLLGCGGS-GFCCVEGCSA-N 305.434 5.429 30 10 DKEE C=CCCCCCCC[C@H](O)c1nc(C(F)(F)F)cs1 2296065670 BNKJZVJCZYSHSN-NSHDSACASA-N 307.381 5.112 30 10 DKEE C=CCCCCCC[C@H](NC)c1nc(C(C)(F)F)cs1 2296184810 UXQSSLSFYIERHI-LBPRGKRZSA-N 302.434 5.042 30 10 DKEE C[C@@H](CC(C)(C)C#N)SCc1cccc(Br)c1 2302457457 RNNCCVFGRXHKJO-NSHDSACASA-N 312.276 5.011 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2ccc3c(c2)CCCC3)cc1 2323419659 JNQHSXGXGJJUEO-UHFFFAOYSA-N 318.416 5.026 30 10 DKEE CC(C)(C)[C@](C)(CS)CSCC1(C(F)(F)F)CC1 2327273482 DIOWWMFIFWOFKO-LLVKDONJSA-N 300.455 5.044 30 10 DKEE C=C([C@H](NCC)c1ccc(Cl)c(Cl)c1C)C(F)(F)F 2339020846 CJEVXYPCWBIXBK-LBPRGKRZSA-N 312.162 5.071 30 10 DKEE CCCC[C@@](C)(C#N)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2340460431 QVRJEAJHSFVQQA-GJZGRUSLSA-N 300.229 5.055 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1c(Cl)cc(C)cc1Cl 2352815487 PTJYTTZOGVTVBC-MLGOLLRUSA-N 300.273 5.555 30 10 DKEE Cc1ccc(F)c([C@@H](C#N)Nc2ccccc2Cl)c1Cl 2360544869 FAOCGAZOMKBERB-CYBMUJFWSA-N 309.171 5.118 30 10 DKEE CCCCCCCCN[C@@H](c1ccccc1)c1cccs1 59134417 NELAJPGYKBOOMD-IBGZPJMESA-N 301.499 5.788 30 10 DKEE Clc1cc(Cl)cc(/N=C/c2ccc(Cl)cc2Cl)c1 59518214 QLECKSFRPLNCGU-CNHKJKLMSA-N 319.018 6.051 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(Nc2cccc(Br)c2)CC1 86914180 GRNNNKSAMQTVAH-CJNGLKHVSA-N 321.262 5.114 30 10 DKEE CC(C)(CS)COc1ccc(C(C)(C)C)cc1C(C)(C)C 94582452 CQAYIJPJZXWEHP-UHFFFAOYSA-N 308.531 5.616 30 10 DKEE CCCCCCCCCn1c([C@H]2CCCO2)nc2ccccc21 102192948 ZXHHMWPCDBKJBZ-LJQANCHMSA-N 314.473 5.638 30 10 DKEE CCCCCCCCCC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 115654549 VVLNNSSZBUGUEV-HZPDHXFCSA-N 308.428 6.001 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)[C@@]1(C)CCCS1 143467186 SQWNZUQAUGGYMQ-RTBURBONSA-N 313.595 6.171 30 10 DKEE Cc1ccc(N/N=C/c2ccccc2COc2ccccc2)cc1 169877610 VSTBSUDBTKSJIW-PXLXIMEGSA-N 316.404 5.020 30 10 DKEE CC(C)(C)c1ccc(O)c(N=C/C=C/c2ccccc2[N+](=O)[O-])c1 254853083 FELDZLCYBNZKIZ-CNBIRTGQSA-N 324.380 5.014 30 10 DKEE C[C@H](CN(C)CCCCCCCCCS)CC(F)(F)F 402511812 JHBZFDQBZRDTFB-AWEZNQCLSA-N 313.473 5.167 30 10 DKEE Clc1cc(NCC#Cc2ccccc2)cc(Cl)c1Cl 404204554 PJRZIQJOKWGZFA-UHFFFAOYSA-N 310.611 5.110 30 10 DKEE CCCCCCCC[C@@H](NCCC)[C@@H](C)OCc1ccccc1 404354311 AECBSMHBUWMIQI-TZIWHRDSSA-N 319.533 5.711 30 10 DKEE N#Cc1c(Cl)cccc1NCc1c(Cl)cccc1Cl 696928086 CFQOBTDNEXZTGO-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE C=C1CCC(Cn2ccc3ccc(Br)cc32)CC1 724579487 MHPLEPFLASOJAV-UHFFFAOYSA-N 304.231 5.150 30 10 DKEE C/C(=C\c1ccccc1Cl)C(=O)/C=C/c1ccccc1Cl 1088725857 HNYMWNNZRYCUHK-AQASXUMVSA-N 317.215 5.679 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 1947381024 IMLHDOQKWYJDAM-OALUTQOASA-N 323.480 5.661 30 10 DKEE C=C([C@@H](NCC)c1ccccc1OCc1ccccc1)C(C)(C)C 1947451194 HGIDAIKVXKWZJL-OAQYLSRUSA-N 323.480 5.519 30 10 DKEE CCCCCCC[C@]1(O)CC[C@@H](C)C[C@H]1OCc1ccccc1 1977469521 WQOFNYMUMVJVDV-NRSPTQNISA-N 318.501 5.483 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCC)c1scc(C)c1Br 1996469202 HGOZCGVJTBINJS-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE C=C1CCC(C[C@@H](NC)c2cc(Cl)c(Cl)s2)CC1 2038535105 AKZHWLCLUUFZOK-GFCCVEGCSA-N 304.286 5.452 30 10 DKEE C=CCC[C@@H](C)C[C@H](NCC)c1ccccc1Br 2050510474 KITSAJOKBJDZAU-CJNGLKHVSA-N 310.279 5.092 30 10 DKEE FC(F)c1cc(OC(F)(F)F)c(C(F)(F)F)cc1Cl 2054960739 KXILCGHJWJNBNF-UHFFFAOYSA-N 314.559 5.195 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(C)cc1Br 2102109687 ASJCDPQZFYGAGT-RHSMWYFYSA-N 324.306 5.401 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1c(C)cccc1Br 2102112603 UCOKIKPIDHZESW-WMLDXEAASA-N 324.306 5.401 30 10 DKEE C=CC1(C[C@@](C)(O)c2cc(Cl)cc(Cl)c2F)CCC1 2111719263 CAURJBAVZKPKAC-CQSZACIVSA-N 303.204 5.086 30 10 DKEE C=CCCCC[C@H](NCCC)c1cccc(C)c1Br 2123087937 FVRFOYRAGDZZTE-INIZCTEOSA-N 324.306 5.545 30 10 DKEE CCCCCCC[C@H](NN)c1cc(Cl)c(Cl)cc1Cl 2136599068 LZDWREKFKLAUHQ-AWEZNQCLSA-N 323.695 5.512 30 10 DKEE CCCCCCCCC[C@@]1(O)CCC[C@H](P(C)(C)=O)C1 2160802754 IPUOXPCKZZSCRG-DLBZAZTESA-N 302.439 5.424 30 10 DKEE C=C([C@@H](NCCC)c1cc(F)c(F)cc1Cl)C(C)(C)C 2168655738 PJVPWMVDMXPYQE-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE C=CCCCCC[C@H](O)c1cc(Cl)cc(C(F)(F)F)c1 2200838177 MBTWKWQKURPDLE-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE C=CCCCCCCCC[C@@H](N)c1cc2sccc2s1 2207409290 MMTMZZMYAQQHQD-CQSZACIVSA-N 307.528 6.269 30 10 DKEE C=C(CC)C[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243546491 SQFOBZKBSPGBMG-MRXNPFEDSA-N 318.461 5.007 30 10 DKEE CC(C)(C)C(Nc1ccc(C#N)c(Br)c1)C(C)(C)C 2266826868 VHVCRFFTFPLEQV-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE CCCCCCCCNCc1c(Cl)ccc(Cl)c1N 2271357505 BMLREQJFXYBFEM-UHFFFAOYSA-N 303.277 5.026 30 10 DKEE CCCCCCCCCCOc1nc(Cl)nc(Cl)c1C 2281534716 ULWCTJWUCAFDAX-UHFFFAOYSA-N 319.276 5.611 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H](SCCC(F)(F)F)C1 2283694451 ARFWCBXDZIQUMM-YNEHKIRRSA-N 307.425 5.417 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Cl)c(Cl)cc1C 2284761223 SYLWCQIPYGMSBP-QGZVFWFLSA-N 317.300 6.260 30 10 DKEE CN[C@@H](CC#CC1CCCC1)c1cc2sc(C)cc2s1 2289854122 GTWZFKCVCCUARD-AWEZNQCLSA-N 303.496 5.115 30 10 DKEE Cc1ccn2c(N=Nc3cccc(C#N)c3)c(C(C)(C)C)nc2c1 2320768882 ONXGQYWQIDBOLT-UHFFFAOYSA-N 317.396 5.227 30 10 DKEE Fc1ccc(CON=C(c2ccc3c(c2)CCCC3)C2CC2)cc1 2330306394 CCRSZEDVNUILET-UHFFFAOYSA-N 323.411 5.035 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NC)c1c(Cl)cc(F)cc1Cl 2344356602 MZQLUCJCDMCIBV-GJZGRUSLSA-N 304.236 5.385 30 10 DKEE C=CCC(CC=C)[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2364096100 SERWBZCKGQSYHW-QGZVFWFLSA-N 312.284 5.803 30 10 DKEE C=CC[C@H](OCc1ccccc1)c1ccc(Br)cc1 21990215 DQQARYUSTMPULG-KRWDZBQOSA-N 317.226 5.283 30 10 DKEE N#C[C@H](C(=O)CCC1CCCCC1)c1c(Cl)cccc1Cl 36930419 QNBOSXDTMWXIFY-CYBMUJFWSA-N 324.251 5.530 30 10 DKEE C=CCSc1ccccc1N[C@H]1CCSc2ccccc21 37766238 BSURKLWXZUGNAJ-HNNXBMFYSA-N 313.491 5.614 30 10 DKEE N#Cc1sc(-c2ccc(Cl)s2)c(-c2ccccc2)c1N 51173445 MGPZWBILDKSNMJ-UHFFFAOYSA-N 316.838 5.251 30 10 DKEE CCCCCCC[C@H](C)Nc1ccccc1OC(F)(F)F 59089824 FYJRKLDDGFGBEQ-ZDUSSCGKSA-N 303.368 5.746 30 10 DKEE CCCCCc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 59520351 HKGOLUKEVFWAFB-SDNWHVSQSA-N 323.392 5.224 30 10 DKEE CCc1ccc2ncc(C#N)c(Nc3cccc(Cl)c3)c2c1 64438738 ODIMLLRYDUWHDT-UHFFFAOYSA-N 307.784 5.066 30 10 DKEE SCCCCCCCCCn1ccnc1-c1cccs1 97799988 GSPGGXRKLDCCEJ-UHFFFAOYSA-N 308.516 5.272 30 10 DKEE CCCCCCCOc1ccc([C@H](CC)NCCCC)cc1 100047577 HCXQGBAIFJBAMM-FQEVSTJZSA-N 305.506 5.877 30 10 DKEE Cc1ccc(N/C=C\C(=O)c2ccc(Cl)cc2Cl)cc1C 101402624 RJFZWOKZJHLKRZ-FPLPWBNLSA-N 320.219 5.419 30 10 DKEE C/C(=C/C(=O)c1ccc(C)o1)Nc1cc(Cl)ccc1Cl 105073111 CSDFOPAGVGBDMT-CLFYSBASSA-N 310.180 5.093 30 10 DKEE CCCCCCC[C@](C)(NCC)c1nc(C(C)(C)C)cs1 109689822 IHYQWOGTVXGOTR-SFHVURJKSA-N 310.551 5.626 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1ccccc1Cl 109739351 WQTDBRXZPLIIOM-LJQANCHMSA-N 309.925 6.521 30 10 DKEE CCCCCCCCCCCc1nc2ccc(N)cc2s1 116909985 VNXPACPWAKPJGA-UHFFFAOYSA-N 304.503 5.952 30 10 DKEE CCCCCCCCCC(=O)C1CCC(C(F)(F)F)CC1 135410514 MQJZZGGOKWKKQC-UHFFFAOYSA-N 306.412 6.065 30 10 DKEE CCCCCCCC[C@H](N)c1ccc(C)c(Br)c1 159016022 SAYJATNDZPOCQX-INIZCTEOSA-N 312.295 5.508 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(Br)ccc1Cl 167790937 QPMBXZKXNGZLLQ-CQSZACIVSA-N 316.670 5.109 30 10 DKEE C=C(CC)C[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 310239816 CTXFTKUVDGNSNS-QFIPXVFZSA-N 323.480 5.663 30 10 DKEE C=CCSC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1F 708637268 QBNJRLKSKOLXBK-CYBMUJFWSA-N 322.276 5.092 30 10 DKEE CCCCCCCCCCC[C@@H](N)c1cscc1Cl 710397286 YZVMWURMYCJORK-MRXNPFEDSA-N 301.927 6.322 30 10 DKEE CC(C)C1CCC(C#N)(Cc2cc(Cl)sc2Cl)CC1 1883073760 KDLCKLWNJRJCMI-UHFFFAOYSA-N 316.297 5.954 30 10 DKEE C=C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C1CCC1 1892935108 VCPZSFNLEIFBNU-ZANVPECISA-N 318.675 5.652 30 10 DKEE CCC[C@@H](C)C(=O)C=Cc1ccc(NC(=O)OC(C)(C)C)cc1 1911717733 UVARPEBJZBTPNN-CQSZACIVSA-N 317.429 5.052 30 10 DKEE N#C[C@]1(CCc2cc(Cl)cc(Cl)c2)CCCC12CCC2 1921627687 PORLMLYJJKQJOS-QGZVFWFLSA-N 308.252 5.790 30 10 DKEE CCCCCCCC(=O)c1c(Br)sc(C)c1C 1951092861 DGEQZSOTMDWKPW-UHFFFAOYSA-N 317.292 5.671 30 10 DKEE CCCC(CCC)[C@@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC 1961604050 JAIWTGLJNCVTLY-GDBMZVCRSA-N 310.482 5.131 30 10 DKEE C=CCCCCC[C@]1(N)CC[C@@H](C)C[C@@H]1OCc1ccccc1 1977524916 OCJHYVUJGRRUQM-GIVPXCGWSA-N 315.501 5.226 30 10 DKEE C=CCCCCCCCCC(=O)c1ccn(Cc2ccccc2)n1 2026279892 PALJDFOAPQWFKR-UHFFFAOYSA-N 324.468 5.421 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(Cl)ccc1Cl 2102112416 SHQLTEHHUPXKGW-LRDDRELGSA-N 300.273 5.636 30 10 DKEE C=CCC[C@H](C)C[C@H](NCCC)c1ccccc1Br 2113420107 OVYIKSBDCYHEIE-YOEHRIQHSA-N 324.306 5.482 30 10 DKEE C=CCCCCCC[C@H](NC)c1cc(C)cc(Br)c1 2141906549 VZTZZLRGFOOCTE-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCCCCCCC[C@@H](NCC)c1sc(OC)nc1Cl 2164111660 XBXJXBORXGGREP-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE C=C(CC)C[C@H](NCC)c1cccc(SC(F)(F)F)c1 2164167099 ZCHMNKGFHYODNL-AWEZNQCLSA-N 303.393 5.305 30 10 DKEE C=CC[C@H](NCCC)c1ccc(-c2cccc(Cl)c2)s1 2164217660 LAFNKMZUFYNJBE-HNNXBMFYSA-N 305.874 5.685 30 10 DKEE CC1(C)CCCC[C@]1(C#N)CCc1cc(Cl)cc(Cl)c1 2173646029 RALLDEZNQXKFFY-QGZVFWFLSA-N 310.268 6.036 30 10 DKEE CCCCCCCCCC[C@H](C[C@@H](C)P(C)(C)=O)NC 2192520759 YNGPFYUVQFVGBW-IAGOWNOFSA-N 303.471 5.507 30 10 DKEE C=CCCCCCCCCC[C@H](CS[C@H](C)CC)NN 2207434768 DQXZKJTYPQGIPE-IAGOWNOFSA-N 300.556 5.047 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(F)ccc(Cl)c1F 2235514806 YEJYCAIDVCRXPB-CQSZACIVSA-N 301.808 5.535 30 10 DKEE C=CCCCCCCC[C@H](O)Cc1cc(Cl)ccc1Cl 2235539017 MSMJAOMAOQMYPH-INIZCTEOSA-N 315.284 5.814 30 10 DKEE CCCCCCCOC[C@H](NC)c1cc(Cl)cc(Cl)c1 2237996589 JDANYDJNYZLXEH-INIZCTEOSA-N 318.288 5.241 30 10 DKEE C=CCCCSCc1ccc(Cl)c(Br)c1F 2244559856 RAGVVVWQCJTLGD-UHFFFAOYSA-N 323.658 5.441 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccccc1Br 2259197417 YMQFYRJGHVGLAC-INIZCTEOSA-N 310.279 5.236 30 10 DKEE C=C[C@H](C)CC(=O)c1cc(Br)cc(C(C)(C)C)c1 2260191026 COVWAUDFPFQDKP-NSHDSACASA-N 309.247 5.142 30 10 DKEE CCCCCCC[C@H](NN)c1cc(Cl)c(Cl)cc1C 2269344344 DLUOBMQXTCMTTE-HNNXBMFYSA-N 303.277 5.167 30 10 DKEE C=C(C)CCCC[C@](C)(N)c1cc(F)c(Cl)cc1Cl 2271773466 USVXNWXJGZYCSY-HNNXBMFYSA-N 304.236 5.443 30 10 DKEE C=CCCCCCCCSC[C@@H](NCC)c1ccns1 2287193353 PEQSHXGBSBPHKO-OAHLLOKOSA-N 312.548 5.054 30 10 DKEE C=CCCCCCCCC(=O)c1cnc(C(C)(F)F)s1 2289267408 HQCSSKKNJXIAET-UHFFFAOYSA-N 301.402 5.354 30 10 DKEE CCCCCCCC[C@@H](OCC(=O)O)c1csc(Cl)c1 2290615664 HRJGVTGGBWBZKZ-CYBMUJFWSA-N 318.866 5.294 30 10 DKEE CCCCCCC[C@H](OCCN)c1cscc1C(F)F 2294442490 VHHINNQMUWWHCT-AWEZNQCLSA-N 305.434 5.063 30 10 DKEE N#C[C@H](Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)s1 2295251202 CHNDUNBVFNIUJT-JTQLQIEISA-N 316.735 5.097 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(Oc2ccccc2)cc1 2297453482 QZENWWUJBKYHFS-UHFFFAOYSA-N 300.357 5.375 30 10 DKEE C=C(C)C[C@H](NCCC)c1cc(Cl)cc(Cl)c1Cl 2319295166 DLZJTMMYZJJEQG-ZDUSSCGKSA-N 306.664 5.654 30 10 DKEE Cc1ccc(N=NC(=CO)C(=O)c2ccc(Cl)cc2)cc1 2333266707 ANPPUTJILRUOMQ-UHFFFAOYSA-N 300.745 5.014 30 10 DKEE Cc1c([C@H](O)[C@]2(C#N)CCC[C@H](C)C2)ccc(Cl)c1Cl 2366011677 FVPCXQWWUCDKTL-CIISACIHSA-N 312.240 5.055 30 10 DKEE SCC1(CSc2nc3ccccc3o2)CCCCCC1 94589224 KDAAUXZLLHRRRV-UHFFFAOYSA-N 307.484 5.190 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\C(=O)O 100781151 JFQBNOIJWROZGE-JUMNCZHZSA-N 304.474 5.596 30 10 DKEE endogenous,in-man CCCCCCCCCCCCSc1ccc(N)cc1F 110324246 QWWOJOPJBXYGDR-UHFFFAOYSA-N 311.510 6.421 30 10 DKEE CCCCCCCCCCCCSc1ccc(F)cc1N 110324255 HPDFAJSENAYZTD-UHFFFAOYSA-N 311.510 6.421 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)[C@]1(C)CCCS1 122731376 SQHPLKZWLRVDSF-MSOLQXFVSA-N 314.583 5.415 30 10 DKEE CCCCCCCCCC[C@H](O)[C@@H]1SCCS[C@H]1C 135714433 OMIDKVQJJDTTPL-HRCADAONSA-N 304.565 5.115 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(Cl)cnn1C(C)C 158898584 QUOBYHBIFVYPFZ-OAHLLOKOSA-N 300.874 5.292 30 10 DKEE CCCCCCCOc1ccccc1-c1nc2cc(C)ccc2[nH]1 169963794 OYYCFAUNURYHDL-UHFFFAOYSA-N 322.452 5.888 30 10 DKEE CCCCCCCCC[C@H](NCC)c1scc(C)c1Cl 232919611 XHSLWRFEWGNYPF-HNNXBMFYSA-N 315.954 6.501 30 10 DKEE CC(C)c1cc(Br)ccc1OCC#CC(C)(C)C 310620645 MGZRUNDOBVYYNE-UHFFFAOYSA-N 309.247 5.001 30 10 DKEE CCCCCCCOCc1cc(Cl)ccc1Br 380063890 OZOVEZTURZRFKZ-UHFFFAOYSA-N 319.670 5.590 30 10 DKEE CCCCCCCCOc1cc(C)cc(Br)c1C 686552385 HCILMRXQJGHGEE-UHFFFAOYSA-N 313.279 5.805 30 10 DKEE CCCCCCCCCNc1c(C)cccc1Br 690414426 OMTLGSVDTGRRGO-UHFFFAOYSA-N 312.295 5.920 30 10 DKEE CSc1cc(C#N)c(SC(F)(F)F)c2sccc12 725292459 XWIJGBDXMNFTAU-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE Cc1cc(C)c(N=Cc2ccc(Br)cc2)c(C)c1 1083986007 IBBAKHFQJPYAOC-UHFFFAOYSA-N 302.215 5.125 30 10 DKEE CCCCCOc1ccc(C#Cc2ccc(F)c(Cl)c2)cc1 1614821160 UIFGEUGVFYLMIW-UHFFFAOYSA-N 316.803 5.448 30 10 DKEE Cc1cc(CC#N)cc(-c2cc(Cl)c(Cl)cc2Cl)n1 1848359955 FGIHIFGWEXQLPK-UHFFFAOYSA-N 311.599 5.083 30 10 DKEE CC[C@H](C)Oc1cc(C)c2c(c1)O/C(=C\c1cccc(C)c1)C2=O 1871421320 NGXORLYWLYSWFU-VUQQOUJSSA-N 322.404 5.097 30 10 DKEE CCCCCCCC[C@@](C)(O)c1cc(Br)cs1 1919987565 NDLXMEKVNUTUIN-CQSZACIVSA-N 319.308 5.469 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@]1(C=O)CCCC12CCC2 1921615100 AWUXNNPJSURLLE-SUMWQHHRSA-N 321.258 5.092 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCCC1 1938722716 POMKMTYWPKQMDQ-UHFFFAOYSA-N 320.477 5.196 30 10 DKEE CCCCCCCC[C@@]1(O)CC(C)(C)[C@@H]1OCc1ccccc1 1939580687 XMJPOROLNUOCCA-PZJWPPBQSA-N 318.501 5.483 30 10 DKEE C=C(Br)CCN(Cc1ccccc1)[C@H](C)C(C)(C)C 1953579906 DFTAKCHOTIHHAU-OAHLLOKOSA-N 324.306 5.222 30 10 DKEE Cc1c(NC(=O)OC(C)(C)C)cccc1C(=O)C=C1CCCC1 1983506537 CWNQUPJUDNEHBW-UHFFFAOYSA-N 315.413 5.025 30 10 DKEE C=CCCCC[C@H](NC)c1cc(Br)c(Cl)s1 1984518980 JWGQWANSWPBABL-JTQLQIEISA-N 322.699 5.171 30 10 DKEE C=CCCCCCC[C@H](NN)c1scc(Cl)c1Cl 2085856481 MZGLLZHGYAEWCH-NSHDSACASA-N 307.290 5.086 30 10 DKEE C=CCCCCCCCCC(=O)c1ccoc1Br 2086282703 MEGXJUNXRSTMDE-UHFFFAOYSA-N 313.235 5.532 30 10 DKEE C=CC1(CN[C@@H](C)c2cc(Cl)cc(Cl)c2F)CCC1 2111701877 ZPAIWZOULWCIHB-JTQLQIEISA-N 302.220 5.139 30 10 DKEE CCCCCCC[C@H](N)c1ccc(OC)c(Cl)c1Cl 2138622939 FIKPUQOWSIOLLS-LBPRGKRZSA-N 304.261 5.362 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cccc(Cl)c1Cl 2146979829 FRZGSXGBGMQWIE-MRXNPFEDSA-N 317.256 5.347 30 10 DKEE CCCCCCCCC(=O)[C@H](O)c1cc(Cl)ccc1Cl 2147064511 SBMHSPAVEYOJHR-MRXNPFEDSA-N 317.256 5.347 30 10 DKEE CCCCCCCCC[C@H](NC)[C@H](O)c1csc(Cl)c1 2154420636 ALPVKGJBZNPSIM-GOEBONIOSA-N 317.926 5.164 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1cc(F)c(Cl)cc1F 2158319915 HKPZRZSAOVYAJE-ZBEGNZNMSA-N 301.808 5.261 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1cc(Cl)ns1 2167197073 WQJUBMZCQKAWHV-CQSZACIVSA-N 316.942 5.978 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cccc(Cl)c1Cl 2173630152 SPRYMNYCKTVBPY-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE CCCCCCCCCN1CCCSC[C@H]1C(F)(F)F 2195535742 SFQQKRJETLGIAT-AWEZNQCLSA-N 311.457 5.107 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(OC)c(Cl)c1Cl 2203425433 GPJKMVLAKFUBHV-ZDUSSCGKSA-N 318.288 5.623 30 10 DKEE C=C[C@@H](C)C[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2206799647 HCLWMPDLVXKFMI-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](N)c1c(Cl)cccc1Cl 2207449167 MKMPKCVMUSEORQ-GOEBONIOSA-N 318.288 5.105 30 10 DKEE CC1(C)CCC(C#N)(Cc2cscc2Br)CC1 2214595338 IFRCATJQBORPFU-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2217664849 DZTSQVRIVFHPEP-ZANVPECISA-N 306.664 5.510 30 10 DKEE C=C(C)CCCC[C@@H](O)c1c(C)sc(C)c1Br 2250152132 MMGYVVDSKHWKIW-GFCCVEGCSA-N 317.292 5.297 30 10 DKEE C=CC1(C[C@@H](NCC)c2cc(Cl)c(Cl)cc2C)CCC1 2286463996 WVVRFRBVDLYAJM-MRXNPFEDSA-N 312.284 5.699 30 10 DKEE C=CCCCCCC[C@@H](OCC(=O)O)c1csc(Cl)c1 2291275871 BJPHQCYZUYZPDI-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE CCCCCCCCC[C@](C)(O)c1cscc1C(F)F 2295586782 BCMXOZYBMNPFJG-INIZCTEOSA-N 304.446 6.034 30 10 DKEE Cc1cccc2cc(C=CC(=O)c3ccccc3)c(Cl)nc12 2297488315 ATJXEFUUCNCHAP-UHFFFAOYSA-N 307.780 5.093 30 10 DKEE CCc1ccc(C(=NOCc2ccc(Cl)cc2)C2CC2)cc1 2330301534 STYIZCDHPXYJGJ-UHFFFAOYSA-N 313.828 5.233 30 10 DKEE Cc1c(C(=O)C#Cc2cccc(Cl)c2)ccc(Cl)c1Cl 2364530713 AIQKDXXJSGVVDW-UHFFFAOYSA-N 323.606 5.190 30 10 DKEE Cc1c(Cl)ccc(N[C@H](C)c2cccc(C#N)c2)c1Cl 2365695026 LSEZNYUBGUBMSY-LLVKDONJSA-N 305.208 5.347 30 10 DKEE Cc1c(Cl)ccc(N[C@H](C)c2ccc(C#N)cc2)c1Cl 2365696722 YGBDPBXYYMBHKN-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1ccc(Cl)c(Cl)c1C)NC 2370495254 BBLQCQURFDVCOW-NVXWUHKLSA-N 314.300 5.425 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1cc(C(F)F)cs1 2370522420 QEHGBBYEKVVSPC-HOCLYGCPSA-N 301.446 5.719 30 10 DKEE CCCCCCCCC[C@H](N)c1cc(F)c(Cl)cc1Cl 2377337246 KFBAHMGPCGRBAX-INIZCTEOSA-N 320.279 6.273 30 10 DKEE C=CC/C=C\C/C=C/CCCCCCCc1cccc(O)c1O 31476664 RUWDFSXBACIZCV-KXKKYDSASA-N 314.469 6.060 30 10 DKEE O=C(/C=C\c1ccccc1)/C=C/c1ccc(Cl)cc1Cl 33644691 GBJHNPAIDVVEIQ-YANFREPOSA-N 303.188 5.289 30 10 DKEE Cc1cc(C)cc(-c2sc(C#N)c(N)c2-c2cccs2)c1 52902381 KLZYKAGTSFNQTR-UHFFFAOYSA-N 310.447 5.214 30 10 DKEE CCCCCCCCO[C@@H](CN1CCCCC1)c1ccccc1 95694389 SDANJJMHFVLBDU-NRFANRHFSA-N 317.517 5.591 30 10 DKEE CCCCCCCCNc1ccccc1OC[C@H]1CCCO1 100041403 XCJBCUPDSYCACE-QGZVFWFLSA-N 305.462 5.017 30 10 DKEE CCCCCCCCOc1ccc([C@H](CC)NCCC)cc1 100047339 QOHCTJVZZSQPCL-FQEVSTJZSA-N 305.506 5.877 30 10 DKEE CCCCCCCCOc1ccc([C@@H](C)NCC(C)(C)C)cc1 100047772 OOEMBPUAZCPWBR-GOSISDBHSA-N 319.533 6.123 30 10 DKEE C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cc2ccccc2s1 126425876 VKHSPIZGTNTAEO-NSHDSACASA-N 312.825 5.599 30 10 DKEE CCCCCCCCNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 159391434 VMQIFCACRDFKEZ-UHFFFAOYSA-N 319.232 5.674 30 10 DKEE CCCCCCCCNc1ccc(Br)c(OC)c1 168890549 GGGOWCUVANHUFV-UHFFFAOYSA-N 314.267 5.230 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(C)c(Br)c(C)c1 228392615 ZEQVLSUMTNYEJH-OAHLLOKOSA-N 310.279 5.073 30 10 DKEE CCCCCCCCCCNc1c(N)ccc(Cl)c1F 312758095 BAUSRICBXINLNM-UHFFFAOYSA-N 300.849 5.614 30 10 DKEE N#Cc1cccc([C@H]2CCN(Cc3ccccc3)c3ccccc32)c1 616589884 PZSFPSFTSCIFDW-OAQYLSRUSA-N 324.427 5.100 30 10 DKEE C=C(C)CCOC[C@@H](NCCC)c1c(Cl)cccc1Cl 708900305 OZXSCWHTZGIWME-OAHLLOKOSA-N 316.272 5.017 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1ccc(Cl)cc1F 1919962108 JIHNPONFMRRNGU-QGZVFWFLSA-N 300.845 5.827 30 10 DKEE Clc1cccc(N=C2N[C@@H](CC3CCCCC3)CS2)c1 1926716544 VIXBOUKSHQWSJW-HNNXBMFYSA-N 308.878 5.003 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccccc1)CC1CC1 1932002297 RZVXDSUFDCIOFS-UHFFFAOYSA-N 319.558 5.415 30 10 DKEE C=CCC[C@H](C)[C@@](C)(N)c1ccc(OCc2ccccc2)cc1 1975929012 RPUAKPHSKHAANG-LAUBAEHRSA-N 309.453 5.042 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(Br)sc1C 1996479128 VNIWDGCSSNXEJM-YGRLFVJLSA-N 316.308 5.072 30 10 DKEE C=CCCCCC[C@@H](O)c1cccc(Cl)c1Br 2019769124 QCZXSYBIRFJJNH-CYBMUJFWSA-N 317.654 5.272 30 10 DKEE CC#CCC[C@H](NCC)c1c(Cl)ccc(Cl)c1Cl 2045724369 LKDGVOPCGVLZQT-LBPRGKRZSA-N 304.648 5.101 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(C)ccc1Br 2059113822 DGMLQHSPLJCQCA-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(C)cc1Br 2102109689 ASJCDPQZFYGAGT-YOEHRIQHSA-N 324.306 5.401 30 10 DKEE C=CCC[C@H](C)[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2158316229 LBVLCLGEQSPTTO-YVEFUNNKSA-N 306.858 5.704 30 10 DKEE CCCCCCC[C@@H](NCCC)c1sc(OC)nc1Cl 2164195690 JZMFSHPEGSSJHP-GFCCVEGCSA-N 318.914 5.206 30 10 DKEE C=CC1(CN[C@@H]2C[C@H](C)Sc3sccc32)CCCCC1 2189509217 LFAOXHUJXAUPAK-DZGCQCFKSA-N 307.528 5.400 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1nc(Cl)cs1 2196947287 REASCQAORCZVJP-AWEZNQCLSA-N 316.942 5.978 30 10 DKEE C=C(c1ccccc1)[C@H](NCC)c1ccc(Cl)c(Cl)c1 2197147631 NDYPBIRHBOZOJR-KRWDZBQOSA-N 306.236 5.357 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1cccc(Cl)c1Cl 2203786860 HTNOTHALYHMUOE-MRXNPFEDSA-N 312.284 5.618 30 10 DKEE CCCCCCCCCC(=O)c1c(Cl)ccc(Cl)c1F 2204419118 TVEIWRBYIKCRQM-UHFFFAOYSA-N 319.247 6.456 30 10 DKEE CC[C@](C#N)(C(C)C)[C@@H](O)c1ccc(-c2cccs2)s1 2205865639 LTQACOWILUOIQW-HOTGVXAUSA-N 305.468 5.086 30 10 DKEE CCCCCCCc1scc(NC(=O)OC(C)(C)C)c1C 2210070620 AKKSCQCFXBKBJZ-UHFFFAOYSA-N 311.491 5.916 30 10 DKEE C[C@@H](NCCC#CC(C)(C)C)c1cc(F)c(Cl)cc1Cl 2239137518 QXVMTZVNFBUJJN-LLVKDONJSA-N 316.247 5.223 30 10 DKEE CCCCCCC[C@@H](N)c1cc(CC)c(Br)s1 2247999824 HQXISFBOTHAYGO-GFCCVEGCSA-N 318.324 5.433 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Cl)cc(Br)c1 2250143559 WAVGGFRGHNGVGN-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE FC(F)(F)C1(CSCC2(CS)CCCCCC2)CC1 2266511210 YBKMYQQKXSRGIR-UHFFFAOYSA-N 312.466 5.333 30 10 DKEE CCCCCCCCC[C@@H](C)NCc1ccsc1Cl 2278250207 LHKGLUHLVYPHFV-CQSZACIVSA-N 301.927 6.020 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1cc(Cl)cc(F)c1F 2287412828 GFWQVHSZIUKQAM-HNNXBMFYSA-N 301.808 5.405 30 10 DKEE COc1ccc(-c2ccc(C=CC(=O)c3ccc(C)cc3)o2)cc1 2293038979 PKGNJABSYMZMDJ-UHFFFAOYSA-N 318.372 5.160 30 10 DKEE C=CCC(C)(C)[C@H](Cc1ccc(Cl)c(Cl)c1C)NC 2344355363 GHTLIZRBARLYDL-AWEZNQCLSA-N 300.273 5.035 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(F)c(Cl)c(Cl)c1 2352390783 YQPWCDOATMLTFN-BMIGLBTASA-N 304.236 5.385 30 10 DKEE Cc1ccc(C#N)cc1OCc1ccc(Cl)c(Cl)c1C 2364220034 PDHULWJXWDABNK-UHFFFAOYSA-N 306.192 5.061 30 10 DKEE C=C1C[C@H]2CC(Nc3ccc(Cl)c(C)c3Cl)C[C@@H](C1)C2 2365689820 NIMKIAYVDWLXBN-PBWFPOADSA-N 310.268 5.849 30 10 DKEE C=CCCCC[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366411520 JFBAANDRTZZIPK-HNNXBMFYSA-N 318.263 5.920 30 10 DKEE N#C[C@@H](Nc1cccc(Cl)c1)c1c(Cl)cccc1Cl 37937352 VHZQSZDYHZHDFT-CYBMUJFWSA-N 311.599 5.324 30 10 DKEE CCCCCCCC(=O)c1cc(Br)ccc1OC 59211595 MZLJBLIIZFKFIA-UHFFFAOYSA-N 313.235 5.001 30 10 DKEE CCc1ccc(-c2sc(C#N)c(N)c2-c2ccccc2)s1 110025731 BDRQYUUDKGUVDD-UHFFFAOYSA-N 310.447 5.160 30 10 DKEE C=CCSc1ccccc1N[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 112940418 RHKZLZWRCCBQOE-YJLNNSPDSA-N 301.499 5.591 30 10 DKEE CCCCCCCCCCN[C@@H]1CCc2cc(Cl)ccc21 127530396 SQKUSEQPFPOOAG-LJQANCHMSA-N 307.909 6.058 30 10 DKEE CCCCCCCCCCNC[C@@H]1Cc2ccccc2S1 129373738 MWGXBOXMVKDBNL-SFHVURJKSA-N 305.531 5.434 30 10 DKEE CCC[C@@H](Nc1cccc(SCC)c1C#N)c1cccs1 167586032 NVCNFAKJTJKQCP-OAHLLOKOSA-N 316.495 5.685 30 10 DKEE CCCCCCCNc1ccc(Br)c(Cl)c1 232191807 SHQGPESHOZDGBJ-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE CC(C)(C#N)CCCCNc1ccc(OCc2ccccc2)cc1 310138814 AMGDCMWZIZBWMS-UHFFFAOYSA-N 322.452 5.398 30 10 DKEE CCCCCCCCCCCC(=O)Nc1ccc(N)cc1Cl 388016349 ANZNHVADQHWLLV-UHFFFAOYSA-N 324.896 5.782 30 10 DKEE COC(=O)c1ccccc1/N=C/C[C@H](C)c1ccc(C(C)C)cc1 1073268842 IDFQQEGESAHJEM-SITPEIFSSA-N 323.436 5.493 30 10 DKEE CC[C@@H](C)c1ccc(N=Cc2c(C)n(C)c3ccccc23)cc1 1084359239 ZKDLPQWKZKRDLR-OAHLLOKOSA-N 304.437 5.751 30 10 DKEE C#CC[C@H](C[C@H](O)c1c(Cl)ccc(Cl)c1Cl)C1CC1 1887098278 KZVNLOZSKHWILM-MFKMUULPSA-N 317.643 5.120 30 10 DKEE CCCCCCC[C@](C)(N)c1cc(Cl)cc(Cl)c1F 1920203158 ZQENAPBGTHNSAD-HNNXBMFYSA-N 306.252 5.667 30 10 DKEE CCCC1CCC([C@@](C)(C#N)N(CC)C(=O)OC(C)(C)C)CC1 1980218588 GZRVJGLTTGALSN-LADRWXRNSA-N 322.493 5.132 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@H](C)C1CC1 1990793574 JWWQXVIGJNNPPH-HXUWFJFHSA-N 315.545 6.428 30 10 DKEE CCCCCC#CCNc1ccc(OCc2ccccc2)cc1C 2024351295 GPDPNWLLHJCQOX-UHFFFAOYSA-N 321.464 5.570 30 10 DKEE N#C[C@@]1(Cc2snc(Cl)c2Cl)CCCCC12CCC2 2117000298 GYENPJYQDVICMM-AWEZNQCLSA-N 315.269 5.247 30 10 DKEE CCCCCCC[C@@H](NCCC)[C@H](O)c1csc(Cl)c1 2154422054 LNVRXWVNBBBOJK-GDBMZVCRSA-N 317.926 5.164 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2cccc(Cl)c2Cl)CC1 2157120729 OZYFYHDURWRQDH-KRWDZBQOSA-N 310.268 6.036 30 10 DKEE C=CCCCC[C@H](NCCC)c1cc(C(F)(F)F)cs1 2179683474 UNQHOUFWSVHERW-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE C[C@@](F)(CNc1c(Cl)cccc1C(F)(F)F)C(F)(F)F 2191841804 LRTAXTNBSKBWQV-SECBINFHSA-N 323.639 5.061 30 10 DKEE C=CCCCCCCC[C@@H](N)c1c(Cl)cncc1Cl 2227267801 JWMFUNDOIKSJEP-CQSZACIVSA-N 301.261 5.305 30 10 DKEE CC(C)(C)C(Nc1cc(Br)cc(C#N)c1)C(C)(C)C 2266828754 YORMOPMIEQFOTE-UHFFFAOYSA-N 323.278 5.193 30 10 DKEE C=CCCCSC[C@@H](NC)c1cc(F)c(Cl)cc1Cl 2271504064 YTKNIEKNNICZDM-CQSZACIVSA-N 322.276 5.092 30 10 DKEE CCCCCCCCC[C@@](C)(OCCCN)C1(Cl)CC1 2294465195 VRHCCHQGJBNESZ-MRXNPFEDSA-N 303.918 5.023 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cccc(Br)c1C 2321144474 IGNOHHIZLGBBIG-CVEARBPZSA-N 310.279 5.010 30 10 DKEE Cc1ccc(C(=NOCc2ccccc2Cl)C2CC2)c(C)c1 2330317283 LWKCJWJDHHZHKW-UHFFFAOYSA-N 313.828 5.288 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1ccc(Br)cc1C 2338745365 WAGYTFCPXUJIAI-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE COc1c(Cl)cc(COCCCCCCS)cc1Cl 2340195057 DBEANWHAVBFZGZ-UHFFFAOYSA-N 323.285 5.009 30 10 DKEE CC(C)(C)c1c(C#N)oc2c(Cl)cc(C(F)(F)F)cc12 2366675939 BKWRFGBMKALDCF-UHFFFAOYSA-N 301.695 5.274 30 10 DKEE C=CCC(C)(C)[C@H](Cc1cc(Cl)ccc1Cl)NCCC 2370488524 XGCGGPSGXVNHJF-INIZCTEOSA-N 314.300 5.506 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1Cl)c1ccc(OCC#N)cc1 37188087 DYMHZKRBOZQOFY-NSHDSACASA-N 321.207 5.069 30 10 DKEE Clc1cc(Cl)cc(/N=C/c2ccc3ccccc3c2)c1 59508219 IPAJFSSJYBSPRB-RGVLZGJSSA-N 300.188 5.897 30 10 DKEE CC1(C)C[C@H]2C[C@@](C)(C[C@@H]2CC(=O)[C@@H](C#N)c2ccccc2)C1 101914948 XCDDSVQWOOULJE-RYLXDESZSA-N 309.453 5.105 30 10 DKEE C=C(C)CC[C@@H](NCC)c1ccc(Br)c(Cl)c1 125656130 RUCJSSNOHSTWOM-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CCCCCCCCCCNc1ccc(C(N)=S)c(C)c1 126685943 VEZIHMWMRIJSLJ-UHFFFAOYSA-N 306.519 5.182 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)cc(Cl)c1 157927502 XEKFZGOGHDXKEQ-MRXNPFEDSA-N 302.289 6.134 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(Br)c(Cl)c1 236302743 RQGHEAMHRMBURQ-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE CCCCCCCCCCCc1ccc(O)c(C(C)=NO)c1 254768659 AVOZALTZOVZTLB-UHFFFAOYSA-N 305.462 5.664 30 10 DKEE CCCCC(=Nc1sc2c(c1C#N)CCCC2)c1ccccc1 254770251 IIAFLOKRFLFMTN-UHFFFAOYSA-N 322.477 5.810 30 10 DKEE C[C@H](Nc1ccc(C#N)c(F)c1)c1ccc(Cl)c(Cl)c1 308064187 XTYVRPJKRMWFLM-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCC[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 309843774 XGXJCUVUQCTVJD-SFHVURJKSA-N 308.466 5.030 30 10 DKEE C[C@H]1CCC[C@H](SCc2ccc(Br)cc2C#N)C1 311197200 ITUWVIAOYYTWRY-NHYWBVRUSA-N 324.287 5.133 30 10 DKEE C=CC(C)(C)CN[C@@H](C)c1ccc(OCc2ccccc2)cc1 384991875 TUVUHBUQMBBMKC-KRWDZBQOSA-N 309.453 5.128 30 10 DKEE CSc1cc(SC(F)(F)F)cc2sc(CC#N)cc12 725318768 YUZWNVNVBDBHLA-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCCCN(CCCC)c1nccc(-c2ccccc2)c1C#N 1859809082 YGDRZEXUQKJWEX-UHFFFAOYSA-N 307.441 5.027 30 10 DKEE CCOc1ccc(/C=C/C(=O)c2ccc(F)c(C)c2)cc1Cl 1874618766 RUVZYFZCDAREOU-XBXARRHUSA-N 318.775 5.082 30 10 DKEE C=C[C@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C1CCC1 1892931674 ARESUZNIIYDPQL-PSLIRLAXSA-N 302.220 5.138 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1ccc(OCc2ccccc2)cc1 1903161771 SIDQUWPHLGTTRM-NHCUHLMSSA-N 309.453 5.258 30 10 DKEE CCCCCCCCCCN1CCC(C)=C(Br)C1 2034775534 BFDKDYZWOQWRHP-UHFFFAOYSA-N 316.327 5.502 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2122686704 SQAMUDQOHPOWLV-LBPRGKRZSA-N 312.162 5.152 30 10 DKEE C=CCCCCCCCCC(=O)c1cc(Br)ccn1 2142439698 NXXWCEFYELUCQP-UHFFFAOYSA-N 324.262 5.334 30 10 DKEE CCC1CCC(C=O)(Cc2ccsc2C(F)(F)F)CC1 2157668650 IJCRQBJWZLMYHC-UHFFFAOYSA-N 304.377 5.095 30 10 DKEE C=C([C@H](NC)c1ccc(SC(F)(F)F)cc1)C(C)(C)C 2164135398 OFYMURMKSCCAQZ-ZDUSSCGKSA-N 303.393 5.161 30 10 DKEE C=CCCCC[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2179702175 ASMSPIWPIINPSB-HNNXBMFYSA-N 306.858 5.848 30 10 DKEE C#CCCCCC[C@H](NC)c1ccc(-c2cccs2)s1 2205870401 FDPNBNBPKRPTPS-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE C=CCCCCCCCCC[C@@H](NC)c1sccc1Cl 2207402349 JOZBGGWHGJOTPC-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cc(Cl)cc(Cl)c1 2229477891 KVAFMTGDVNDYED-INIZCTEOSA-N 301.257 5.728 30 10 DKEE C=CCC[C@@H](C)[C@H](N)c1cc(Br)cc(C(C)C)c1 2254716921 ZARBGWGONWECNY-WBMJQRKESA-N 310.279 5.175 30 10 DKEE CCCCCCC[C@@](C)(N)c1cc(Cl)c(Cl)cc1C 2269376352 LBAWECOQVADCEZ-MRXNPFEDSA-N 302.289 5.836 30 10 DKEE CC(=NOC(c1ccccc1)c1ccccc1)c1ccccc1 2330448969 PKJJHHDECBLNMF-UHFFFAOYSA-N 301.389 5.217 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1cc(Cl)cc(F)c1Cl 2370521843 LZWOGASJWUXHJB-JKSUJKDBSA-N 318.263 5.776 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1cccc(Cl)c1C(F)(F)F 2370605008 XOVMLELPSBMTTB-KBPBESRZSA-N 306.755 5.385 30 10 DKEE C=CCC(C)(C)[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCC 2377411549 LGTLRXLYLRLUSA-OAHLLOKOSA-N 318.263 5.255 30 10 DKEE O=C(/C=C\c1ccccc1)/C(=C\c1ccccc1)c1ccccc1 32168556 HLSUQENPAUVYHA-MKFVXKOTSA-N 310.396 5.510 30 10 DKEE C[C@@H](Nc1cccc(Cl)c1Cl)c1ccc(OCC#N)cc1 37243422 DYRPVGAWCKOIGY-LLVKDONJSA-N 321.207 5.069 30 10 DKEE CCCCCCC[C@H](NCC)c1cc(Cl)sc1Cl 59291250 YSXLHYODRSNMQK-LBPRGKRZSA-N 308.318 6.066 30 10 DKEE Cc1ccc(C(C)(C)C)cc1C(=O)/C=C/c1ccc(Cl)cc1 83194251 UEGZKOIYZCIGCE-XYOKQWHBSA-N 312.840 5.842 30 10 DKEE CCCCCCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CCCC(=O)OC 100055686 BEUIOIYFOPNKNN-WCIQWLHISA-N 322.533 6.133 30 10 DKEE CCCCCCCOc1ccccc1CN[C@H]1CCC[C@H](C)C1 100131641 WTEXRDQIGGXJPL-ICSRJNTNSA-N 317.517 5.704 30 10 DKEE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)C2 100937390 OUWDRUBELPYHMH-YVEFUNNKSA-N 323.358 5.026 30 10 DKEE CCCCCCCn1c([C@H](O)c2ccccc2)nc2ccccc21 101263153 AMZRJXORKPGEDE-HXUWFJFHSA-N 322.452 5.088 30 10 DKEE CCCCCCC[C@@H](C)Nc1cc(Br)ccc1C 109886508 XBEFFNLAPUXPHX-CQSZACIVSA-N 312.295 5.918 30 10 DKEE CCC(C)(C)[C@H]1CC[C@H](C#N)[C@H](Sc2ccccc2C)C1 110354634 YKIPPVNLOGTTMF-SOLBZPMBSA-N 301.499 5.832 30 10 DKEE CCCCCCC[C@@H](CNCCOC)c1ccc(Cl)cc1 118845369 HMMQTTPDPLALEC-KRWDZBQOSA-N 311.897 5.020 30 10 DKEE CCCCCCCCCCCC[C@H]1CSC[C@@H]1NCCC 134625656 NTSZDGAIYGKISE-OALUTQOASA-N 313.595 6.029 30 10 DKEE CCSc1cccc(Oc2ccc(Cl)c(CC)c2)c1C#N 136712260 QHCGRRCLPOPSFA-UHFFFAOYSA-N 317.841 5.678 30 10 DKEE CCCCCCCCNc1cccc(SCC)c1C(N)=S 136842033 YHHZXBQCYWPGGL-UHFFFAOYSA-N 324.559 5.205 30 10 DKEE Clc1cccc(N=C2NC3(CCCC3)CCS2)c1Cl 687318577 OPQIKPOZMARVJC-UHFFFAOYSA-N 315.269 5.020 30 10 DKEE CCCCCCC[C@H](C)NCc1ccc(Cl)c(Cl)c1 689239327 JVJWEALDDTWKFL-ZDUSSCGKSA-N 302.289 5.832 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(Cl)cc1Cl 692240635 QAVBCKJBGQCJPA-PBFPGSCMSA-N 312.284 5.779 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1 692240690 QFLYSXNRLCXGNE-PBFPGSCMSA-N 312.284 5.779 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(OC(F)(F)F)cc1 1866090262 UURFPRFZQJZXMO-UHFFFAOYSA-N 317.351 5.274 30 10 DKEE CC(C)(C)c1c(C#N)oc2c(Cl)c(Br)ccc12 1996279912 UKGWAPZSIWOSRY-UHFFFAOYSA-N 312.594 5.018 30 10 DKEE C=CCCC[C@@H](NCC)c1sc(CC)cc1Br 2000382970 TXQCCJBIRDHWPM-CYBMUJFWSA-N 316.308 5.080 30 10 DKEE O=C(C=C1CCCCC1)c1cccc(Cl)c1Br 2007976117 XCSPVBDBPLNBRB-UHFFFAOYSA-N 313.622 5.176 30 10 DKEE CCCCCC#CCNc1cc(Cl)cc(Br)c1 2024347654 SHVYFZKVAOTHQB-UHFFFAOYSA-N 314.654 5.098 30 10 DKEE C=CCCCC[C@H](NCC)c1ccc(Br)cc1C 2059111913 OXQJKJSLUPUPPJ-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CC#CCCCC[C@H](O)c1c(Cl)ccc(Cl)c1Cl 2075366816 FGKVOIXSNRQZSB-LBPRGKRZSA-N 305.632 5.264 30 10 DKEE C#CC[C@H](C)C[C@H](NCCC)c1cc(Cl)sc1Cl 2076089690 WSPYGPHHFCJKLK-JQWIXIFHSA-N 304.286 5.145 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc(Cl)cs1 2102394070 IVDGYVHIZKQLND-OAHLLOKOSA-N 301.927 6.193 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1csc(Cl)c1 2142437105 ZEIZMQGGDGMQPU-HNNXBMFYSA-N 300.895 6.132 30 10 DKEE C=CCCCCCCCCC[C@H](O)c1cc(Cl)ns1 2142451030 RSALAZYTZXAPMF-ZDUSSCGKSA-N 301.883 5.527 30 10 DKEE CCCCCCCC[C@@H](NCC)c1nccc(Cl)c1F 2154329078 IBLUNWGYOLLHIC-CQSZACIVSA-N 300.849 5.275 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1ccc(C(F)(F)F)c(Cl)c1 2158324414 PQCQCPKCBQBGBL-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C[C@@H]1CC=C(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1 2181256379 YSQDDKLDONLKDR-SECBINFHSA-N 302.723 5.288 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(Cl)c(C(F)(F)F)c1 2206800346 CKTUMYCEFMUCGZ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCCCC[C@@H](O)[C@H](NCC)c1cscc1Cl 2207445011 OCMMZVZDNKSDRY-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE CCCCCCCC[C@H](O)[C@@H](NCC)c1ccc(Cl)s1 2207453277 LCGQCURPWMHUFY-XJKSGUPXSA-N 317.926 5.164 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@H](C#N)c1cc(Cl)ccc1Cl 2234057241 MPXBVUZJZYYOFO-SMDDNHRTSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCC(=O)Cc1cccc(Cl)c1Cl 2235756929 MRLGLOKCDITVMF-UHFFFAOYSA-N 313.268 6.022 30 10 DKEE CCCCCCCNc1ccc(F)c(F)c1Br 2248110885 XQRWEAPUBLJFKQ-UHFFFAOYSA-N 306.194 5.110 30 10 DKEE C=CCCCC[C@@H](O)c1cc(Br)cc(C(C)C)c1 2254758346 ZHDQZEIJMVBZNQ-MRXNPFEDSA-N 311.263 5.352 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Cl)c(OC)cc1Cl 2271797938 MXWRMFJQOOOZEC-AWEZNQCLSA-N 302.245 5.138 30 10 DKEE CC(C)C1CCC(C#N)(Cc2ccc(Cl)nc2Cl)CC1 2286805586 MJWVAMXOLYRKSU-UHFFFAOYSA-N 311.256 5.287 30 10 DKEE C=CCCCCCCCSc1ccc([N+](=O)[O-])c(Cl)c1 2287073003 PWEPSMZYWZAJEQ-UHFFFAOYSA-N 313.850 5.867 30 10 DKEE O=[N+]([O-])c1ccc(C=N[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc1 2297452659 AGNSXOBSVWJNTP-FFZOFVMBSA-N 324.424 5.073 30 10 DKEE N#C[C@@H](CSCc1ccccc1Br)C1CCCC1 2318741374 IXDWEYLDCQIPAS-AWEZNQCLSA-N 324.287 5.012 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1ccc(Br)c(C)c1 2321145705 RXWXSEYMBOVQBA-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE Cc1c(COC[C@@H](CS)C(C)(C)C)ccc(Cl)c1Cl 2339471756 NNSHLQKIVWJUDD-LBPRGKRZSA-N 321.313 5.411 30 10 DKEE C=CCCCCCC[C@H](N)c1c(Cl)cc(F)cc1Cl 2340802528 ZSNKKEDCIWVVHE-AWEZNQCLSA-N 304.236 5.659 30 10 DKEE C=CC[C@@H]1CCC[C@H]1n1c(S)nc2cc(Cl)c(F)cc21 2362298592 MILXAHSEOFZKEB-NOZJJQNGSA-N 310.825 5.035 30 10 DKEE C#CCCCC[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366411310 HUGHKMCFUKHDQO-OAHLLOKOSA-N 316.247 5.367 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)CCCc1cc(Cl)cc(Cl)c1 2370601392 CQIINYQXKYHMDQ-DLBZAZTESA-N 315.284 5.669 30 10 DKEE Cc1cc2nc(-c3ccccc3Cl)n(C[C@@H](C)C#N)c2cc1C 57801972 HJHQAPIXKFXDFC-LBPRGKRZSA-N 323.827 5.133 30 10 DKEE Cc1ccn2c(/N=N\c3cccc(C#N)c3)c(C(C)C)nc2c1 71582829 OKGNDDADISGXHQ-DQRAZIAOSA-N 303.369 5.053 30 10 DKEE CCCCCCCOc1ccc([C@H](CC)NCC(C)(C)C)cc1 100047821 QLYMJMGKZXNHSR-FQEVSTJZSA-N 319.533 6.123 30 10 DKEE C[C@H](Nc1ccc(F)cc1C#N)c1ccc(Cl)cc1Cl 113316666 WPAPAJIBEDXJRP-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H]1CCCc2sccc21 139607174 IJBVIAKLYOWLOM-WMZOPIPTSA-N 307.547 5.897 30 10 DKEE CCCCCCCCCCCC[C@H](NC)c1scnc1C 143509041 WGEIWLRNVDAGDO-KRWDZBQOSA-N 310.551 6.023 30 10 DKEE CCCCCCCCCCC[C@@H](O)Cc1ccc(Cl)s1 168719580 INTLAYRUDQXJBA-OAHLLOKOSA-N 316.938 6.226 30 10 DKEE Cc1ccc(C(=O)/C=C\Oc2c(C)cc(Cl)cc2Cl)cc1 209923116 WWWWBAXJGDHEHQ-FPLPWBNLSA-N 321.203 5.386 30 10 DKEE Cc1ccc(Oc2ccc(C#N)c(Br)c2)c(Cl)c1 228202195 TXGGPUFJZRLWNO-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc(Cl)ccc1F 229072022 NCVPRTGTDUTHKV-GOSISDBHSA-N 313.888 6.270 30 10 DKEE C=CCCCCCOc1c(Cl)cc(Cl)cc1C[C@H](C)N 235500876 KKTKYMOKMFMJDC-LBPRGKRZSA-N 316.272 5.008 30 10 DKEE C[C@@H]1C/C(=C/c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 253486746 ZHDAXGCYNXSIAE-BXYYLCOUSA-N 324.370 5.431 30 10 DKEE CC[C@H](C)c1ccc(O)c(N=C/C=C\c2ccc([N+](=O)[O-])cc2)c1 254742921 BPKLBAAQPKVDNQ-OVVNTOQBSA-N 324.380 5.230 30 10 DKEE CCCCCCCNc1sc2c(c1C(=O)OCC)CCCC2 257655464 UMRRYFQKSHRUBK-UHFFFAOYSA-N 323.502 5.186 30 10 DKEE C=CCCC[C@@H](C)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] 398110233 XDBHQLIVSRPZNF-SECBINFHSA-N 303.189 5.058 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(Cl)c(Cl)c1 404272521 LUURKWAWRNSVPS-NSHDSACASA-N 322.707 6.808 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@H]1C[C@H](C)Sc2sccc21 692239596 LUCHJXIVRUTURS-XNISGKROSA-N 307.528 5.398 30 10 DKEE C=CCSc1ccccc1NCc1csc(C(C)C)n1 696389780 FBKOKNATWUJGIC-UHFFFAOYSA-N 304.484 5.157 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C(CC)(CC)CC 698407939 OTJDNVYGEGUKGI-LSDHHAIUSA-N 310.482 5.131 30 10 DKEE C[C@H](COCc1ccccc1)CC1(C=O)CCC(C)(C)CC1 719594023 WTCSNRYPWNKYLD-KRWDZBQOSA-N 302.458 5.015 30 10 DKEE C=CCCOc1cc(C)n(CCCCCCCCCC)c(=O)c1 1860785127 NNMSEBAARABIPR-UHFFFAOYSA-N 319.489 5.252 30 10 DKEE C=CCOc1cccc(/C=C/C(=O)c2ccc(CCCC)cc2)c1 1874593632 TXBIIJWPIHGXTF-NTCAYCPXSA-N 320.432 5.490 30 10 DKEE CCC[C@H](CS)CSCc1ccc(Br)cc1 1902022233 UZPSWUJNTMWKFN-GFCCVEGCSA-N 319.333 5.028 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Br)c(C)s1 2000364841 KWECHBZMBFWJBQ-YGRLFVJLSA-N 316.308 5.072 30 10 DKEE C[C@@H](Nc1cc(Br)ccc1C#N)C1(C)CCCCC1 2101388363 FQIRYSSICLSZNY-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE C=CC1(C[C@@H](NC)c2cc(C)c(Br)c(C)c2)CCC1 2111716930 AYIVXUGNOWZETN-OAHLLOKOSA-N 322.290 5.073 30 10 DKEE C=C1C[C@@H]1C[C@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2164167814 GUUYOXYEWYDSFI-HIFRSBDPSA-N 303.858 5.295 30 10 DKEE SCCCCCCCCCN1CCS[C@H]2CCCC[C@H]21 2170516330 QVLOLGPMRRUUTE-SJORKVTESA-N 315.592 5.007 30 10 DKEE CCCCCCCCCCn1c(Cl)nc(Cl)c1C(=O)O 2175463890 BEEFEOVNHURTEX-UHFFFAOYSA-N 321.248 5.029 30 10 DKEE C=CCCCC[C@@H](NC)c1cc(Cl)cc(C(F)(F)F)c1 2200836797 WALMIBJDXGOUFZ-CQSZACIVSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCCC(=O)c1cnn(Cc2ccccc2)c1 2211145057 IYUNJWRYICIPIM-UHFFFAOYSA-N 310.441 5.031 30 10 DKEE C=C[C@@H](CCCCC)Oc1nc(Cl)c(Cl)cc1Cl 2223223286 OUOYOCRAYABKRK-VIFPVBQESA-N 308.636 5.556 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(Br)cc1Cl 2250135819 JUDUIZFHSQLPNY-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE C=CCCCCCCCSc1cc(C(F)F)nc(Cl)n1 2287073439 VEZWRKFTEZHUFD-UHFFFAOYSA-N 320.836 5.686 30 10 DKEE C=C1CC([C@H](NCCC)c2ccc(OCc3ccccc3)cc2)C1 2299508101 IFVHZURKPABIAT-JOCHJYFZSA-N 321.464 5.273 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cccc(Br)c1C 2321144477 IGNOHHIZLGBBIG-JKSUJKDBSA-N 310.279 5.010 30 10 DKEE C=CCC(CC=C)Oc1ccc2ccc(Br)cc2c1 2338667536 SAQSDHGJAUDRJC-UHFFFAOYSA-N 317.226 5.502 30 10 DKEE Cc1c(C(=O)C2=CC[C@H](C(C)C)CC2)ccc(Cl)c1Cl 2364435596 BUXXJTIOTZGNGS-LBPRGKRZSA-N 311.252 5.867 30 10 DKEE C=CCCCCCCCCCN1CC[C@@H](SC(F)F)C1 2365641722 BSQUGYBGRJCYPM-OAHLLOKOSA-N 305.478 5.323 30 10 DKEE CCCCCCCCCNC(=O)c1ccc(-c2ccccc2)cc1 3183468 MUNXJUNVGZFUMZ-UHFFFAOYSA-N 323.480 5.834 30 10 DKEE N#Cc1ccc(Cl)cc1NC1CC(c2cccc(Cl)c2)C1 36954544 KLDQUVXLSLHCIH-UHFFFAOYSA-N 317.219 5.223 30 10 DKEE CC[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 36973347 MVUGWDSNPBQXMF-MRXNPFEDSA-N 305.208 5.428 30 10 DKEE CCCCCCCOc1ccccc1CCCNCCCCC 106534437 JKHDZHPMCHEMGO-UHFFFAOYSA-N 319.533 5.748 30 10 DKEE CCC#CC[C@@H](C)c1ccc(OCC(C)C)c(OCC(C)C)c1 107492355 XJQQWTFDIUXPLJ-GOSISDBHSA-N 316.485 5.663 30 10 DKEE CCC(C)(C)[C@H]1CC[C@@H](C#N)[C@H](Sc2ccccc2C)C1 110354640 YKIPPVNLOGTTMF-XYJFISCASA-N 301.499 5.832 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1cc(C)sc1C 115856819 REFGHZOFVRYNIS-LJQANCHMSA-N 309.563 6.546 30 10 DKEE C[C@@H]1CC[C@](C)(C(=O)/C=C(/O)[C@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 135954614 ZPWDPOBPQQLWEE-KYSISNRPSA-N 320.517 5.922 30 10 DKEE CCCCCCCCC[C@H](NCC)c1cc2sccc2s1 157918379 PCYZQBYCIDMXRB-HNNXBMFYSA-N 323.571 6.754 30 10 DKEE C/C=C(\CCCCCCC/C=C/CCCCCCCC)OC 216506944 INJCWUBWAUIVEG-QHUPCUMQSA-N 308.550 7.574 30 10 DKEE C=C(CC)C[C@H](NCC)c1cccc(Br)c1Cl 229756940 NDXPMQHGDMEQNK-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE CCCCCCCC[C@@H](NC)c1cnc(C(F)(F)F)s1 232920521 OUBALKMDAQGTPK-LLVKDONJSA-N 308.413 5.173 30 10 DKEE CC(C)C[C@@](C#N)(CCCC1CCN(C)CC1)c1ccccc1 248092911 WGFHNFPDBCUEIH-OAQYLSRUSA-N 312.501 5.006 30 10 DKEE C=CCCCCCCN[C@H](C)c1ccc(Cl)cc1Cl 382229885 UMWZSUSHYZGCQO-CYBMUJFWSA-N 300.273 5.781 30 10 DKEE C=CCCC[C@@H](C)N[C@H](C)c1cc(F)c(Cl)cc1Cl 398185462 PQFWGONAEMBQAR-GHMZBOCLSA-N 304.236 5.528 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1 406263437 XRYGRMVHUMQJFN-QGZVFWFLSA-N 318.461 5.170 30 10 DKEE N#Cc1cc(Cl)ccc1-c1c(Cl)ccc(Cl)c1Cl 514260977 IFYUORPAFJCHTR-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=CC[C@@H](C)Nc1ccc(Br)c(Cl)c1Cl 715039986 PFJDRRKAKFNUIS-SSDOTTSWSA-N 309.034 5.132 30 10 DKEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1cccc(Cl)c1Cl 718508685 AYQAWHGRYZXOLO-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@H](C[C@@H](C)COCc1ccccc1)NC 719137010 SVWWGPOKXIBFGM-TZIWHRDSSA-N 319.533 5.568 30 10 DKEE CCCCCCCCc1ccc(N=Nc2ccc(O)cc2)cc1 1081820472 KWYKRCFXFADWBK-UHFFFAOYSA-N 310.441 6.711 30 10 DKEE O=C1C=C(c2ccccc2Cl)C[C@@H](c2ccccc2Cl)C1 1088705558 OXSPCDRBNRFVGP-CYBMUJFWSA-N 317.215 5.524 30 10 DKEE C=C(COCc1ccccc1)[C@H](N)CCCCCCCCC 1922054983 NXJYCSQGYICSHC-HXUWFJFHSA-N 303.490 5.227 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@](C)(C#N)C1CCC(C)CC1 1975998308 NEJKFMPHZXETRK-DXCLHELWSA-N 322.493 5.131 30 10 DKEE CCCCCCCCCCN(Cc1ccccc1)[C@@H](C)C(C)C 1990793328 GBEZZLLRGKHLAK-NRFANRHFSA-N 317.561 6.674 30 10 DKEE C=C(F)C[C@@H](NCCC)c1c(C)sc(C)c1Br 2011351070 HZHJKAQAIQUPAN-LLVKDONJSA-N 320.271 5.041 30 10 DKEE C=CCCCCCC[C@](C)(O)c1cscc1Br 2026017665 QVWQKTDYMYLMDK-AWEZNQCLSA-N 317.292 5.245 30 10 DKEE C=CCCCCCC[C@H](O)c1cc(Br)c(C)s1 2026065768 XPBHTRIOLROSNY-ZDUSSCGKSA-N 317.292 5.379 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1ccccc1C1CC1 2070132866 CRNGKXGNOMHMHC-INIZCTEOSA-N 318.464 5.399 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)sc2Cl)CCCC(F)(F)C1 2074835281 NYEGVGZRJZNXCC-LLVKDONJSA-N 310.196 5.317 30 10 DKEE CCCCCCCCCNc1cc(Cl)c(O)c(Cl)c1 2142457285 QRKKRLPXMYIWND-UHFFFAOYSA-N 304.261 5.862 30 10 DKEE C=C(C)CC[C@@H](C)Nc1nc(Cl)nc2sc(CC)cc12 2152865304 OFCKBDFEUXYOTE-SNVBAGLBSA-N 309.866 5.064 30 10 DKEE CCC1CCC(C#N)(Cc2cscc2C(F)(F)F)CC1 2157161487 UCOURXFVWAOJKA-UHFFFAOYSA-N 301.377 5.420 30 10 DKEE CCCC[C@](C#N)(CC)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] 2164478609 XDTJCRHZMOFRDR-AWEZNQCLSA-N 315.200 5.263 30 10 DKEE O=CC1(CCc2cc(Cl)cc(Cl)c2)CCC(F)(F)CC1 2184890308 KDHNWTZHSSVVPL-UHFFFAOYSA-N 321.194 5.321 30 10 DKEE CCCC(CS)(CCC)CN(C)CC(C)(C)CC(F)F 2190264405 UNOVSQZUGQNBHF-UHFFFAOYSA-N 309.510 5.116 30 10 DKEE C=C(c1ccccc1)[C@@](C)(N)c1cc(F)c(Cl)cc1Cl 2197141323 DERJEFCFGMXLBR-MRXNPFEDSA-N 310.199 5.020 30 10 DKEE CCCCCCCC[C@H](O)[C@H](N)c1cccc(Cl)c1Cl 2207449765 PMYXHUPDLSJGIZ-GOEBONIOSA-N 318.288 5.105 30 10 DKEE C=CCCC[C@H](CCCC(F)(F)C(F)(F)F)NCCC 2240421001 GZGHIEGVAABEML-GFCCVEGCSA-N 301.343 5.079 30 10 DKEE C=CC[C@H](NCCC)c1cc(Br)cc(C(C)C)c1 2254748780 AJRZGHVEMFCPRH-INIZCTEOSA-N 310.279 5.189 30 10 DKEE C=CCCCCCCCSc1ccc(CNC2CC2)s1 2287077521 WSZCOVKBUASCRK-UHFFFAOYSA-N 309.544 5.619 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc2sccc2s1 2287414341 PHQISPZQQAOIKC-CQSZACIVSA-N 307.528 6.140 30 10 DKEE CCCCCCC[C@@H](O)Cc1cc(F)c(Cl)cc1Cl 2349780908 JZXCNMYNCGXRCQ-GFCCVEGCSA-N 307.236 5.396 30 10 DKEE Cc1c(C[C@@]2(C=O)CCCCC2(C)C)ccc(Cl)c1Cl 2364017239 IGPRXOSXPFBIIX-QGZVFWFLSA-N 313.268 5.630 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)CCCc1cc(Cl)cc(Cl)c1 2370493326 YNNUIXRGOIBVPK-IRXDYDNUSA-N 314.300 5.636 30 10 DKEE CC[C@@H](Nc1cc(Cl)ccc1C#N)c1cccc(Cl)c1 36954480 RFRAPYGEVJSEPF-OAHLLOKOSA-N 305.208 5.428 30 10 DKEE C=CCSc1ccccc1N[C@H]1CSCc2ccccc21 37766669 VICRXSMVGHWHGD-KRWDZBQOSA-N 313.491 5.365 30 10 DKEE CCCC(CS)(CCC)CSc1cc(F)ccc1F 94589299 CVVSERXZJPEOTM-UHFFFAOYSA-N 304.471 5.573 30 10 DKEE Fc1ccc(SCCCCCCCCCS)cc1F 97800087 FUTSHWHBPZGWCU-UHFFFAOYSA-N 304.471 5.717 30 10 DKEE CCCCCCCCCCCn1c(COC)nc2ccccc21 102184570 WZUCJJRPONRPNE-UHFFFAOYSA-N 316.489 5.714 30 10 DKEE CCCCCCCC[C@H](N)c1cc(Br)cs1 112537757 ZBMWDCMISZTGCV-LBPRGKRZSA-N 304.297 5.261 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(C)c(Br)s1 125650861 JWTOSAAEMDIKGO-GFCCVEGCSA-N 316.308 5.216 30 10 DKEE C=C(C)CC[C@H](NCCC)c1cc(C)cc(Br)c1 125719919 ZRCNMXZQMAIHHD-INIZCTEOSA-N 310.279 5.155 30 10 DKEE C[C@H]1C[C@H](Nc2cc(C#N)ccc2Cl)c2ccsc2S1 217001384 YEFHDIRXEMYPQI-ZANVPECISA-N 320.870 5.311 30 10 DKEE CCCCCCCCCCNc1c(Cl)cc(N)cc1Cl 232918425 LTFGHCFUBAFMRX-UHFFFAOYSA-N 317.304 6.128 30 10 DKEE CCCC[C@H](CC)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 304420775 QZGKCHGSHCIACG-INIZCTEOSA-N 322.493 5.134 30 10 DKEE C=C(C)[C@H](NCCC)c1cc(Cl)c(C)cc1Br 393836875 QUUXDKUPVLQOMY-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE C[C@@H](Nc1cccc(F)c1C#N)c1c(Cl)cccc1Cl 400909581 RFJXQRHPOFGYHP-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC(C)(C#N)CCCNc1cc(Cl)c(Cl)c(Cl)c1 404374348 VTEWTNKNEQDUJO-UHFFFAOYSA-N 305.636 5.389 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cc2cccc(Br)c2o1 715829355 KUUQQSZDKJMIOR-XHDPSFHLSA-N 322.246 5.058 30 10 DKEE Fc1cc2scc(C(F)(F)F)c2cc1SC(F)(F)F 725305228 TYURJQWNQXZVEH-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE CCCCCCCCCCCC(=O)NCCCOCCCC 1865984989 SKAQHVXCWYCAOR-UHFFFAOYSA-N 313.526 5.230 30 10 DKEE C=C(C)COc1ccc(Cl)cc1/C=C/C(=O)c1ccccc1 1874578350 JGVRDBHUFDCTGK-CSKARUKUSA-N 312.796 5.191 30 10 DKEE C[C@@H](c1cccs1)N(CCCCCS)Cc1ccccc1 1915087197 RXJUZWCVHBRAIJ-INIZCTEOSA-N 319.539 5.411 30 10 DKEE CCCCCCC[C@@](C)(N)CCc1cc(Cl)cc(Cl)c1 1919503826 DFWLQRLJUXFPCD-QGZVFWFLSA-N 316.316 6.004 30 10 DKEE CCCCCCC[C@](C)(N)c1cccc(Br)c1F 1919506348 AHAOWEIAFBVEOG-HNNXBMFYSA-N 316.258 5.123 30 10 DKEE CCCCCCC[C@H](N)c1sc(Br)cc1C 1939450788 LBGXKWZURZYTTG-NSHDSACASA-N 304.297 5.179 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2ccc(Br)c(C)c2)CC1 2061179701 SCCHTQPHHQTKSU-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2ccc(F)c(Br)c2)C1 2112240906 XZENTSGYJQDHPN-INIZCTEOSA-N 324.237 5.241 30 10 DKEE CC(C)C(CCOc1cc(Br)ccc1C#N)C(C)C 2132724294 DDXWFSXQKSJZNT-UHFFFAOYSA-N 324.262 5.018 30 10 DKEE CCCCC#CC[C@@H](NCCC)c1ccc(Br)cc1 2138957948 BSQUOJLJEJAUQE-QGZVFWFLSA-N 322.290 5.074 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1cc2c(s1)CCSC2 2158321476 UWYTZICIIGVFKY-CXAGYDPISA-N 309.544 5.180 30 10 DKEE C=C(C)CC[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164162699 PVIFCMJWZSNKOS-OAHLLOKOSA-N 305.874 5.685 30 10 DKEE C=CCCCCCCCC[C@@H](N)[C@@H](O)c1cscc1Cl 2207433748 AMCZFSFREUPPKV-CVEARBPZSA-N 315.910 5.069 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Br)oc1C 2220094996 YJIMLFHDNDWJSI-CQSZACIVSA-N 314.267 5.267 30 10 DKEE C=C[C@H](CCCCC)OCc1cccc(Br)c1C 2223288541 NAIBCSYYGWZCTJ-OAHLLOKOSA-N 311.263 5.409 30 10 DKEE CCCCCCCCCCOC(=O)c1cnc(Cl)s1 2231039127 BSJZVHUZQCUPIP-UHFFFAOYSA-N 303.855 5.094 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(Cl)cc(F)c1F 2235538861 LGGGOWNOBFTTSC-OAHLLOKOSA-N 301.808 5.535 30 10 DKEE CCCCCCCCCCCCCCOC[C@H](C)CS 2239503582 WPBNJWUVFZWZJA-SFHVURJKSA-N 302.568 6.270 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2270966482 FTANBZXJAJRKLR-ZBEGNZNMSA-N 300.273 5.555 30 10 DKEE Cc1cc2sc([C@H](O)C#Cc3ccccc3Cl)cc2s1 2295225917 CYMVFHRQNHFWGC-CYBMUJFWSA-N 318.850 5.010 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(-c3ccccc3)cc2)s1 2296887168 BAUKMCUXZVURBC-UHFFFAOYSA-N 304.414 5.620 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1cc(Cl)c(Cl)cc1Cl 2321219344 IAYJZLIELUWFHS-ZIAGYGMSSA-N 307.648 5.673 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1sc(C(F)(F)F)cc1C 2364082972 IHJUKPUABCYPPN-CYBMUJFWSA-N 303.393 5.104 30 10 DKEE C[C@@H]1CC(N(C)CCCCCCCCCS)C[C@@H](C)S1 2365598267 PUVLIPJKZNNRHW-HZPDHXFCSA-N 317.608 5.251 30 10 DKEE C=CCCCC[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366411521 JFBAANDRTZZIPK-OAHLLOKOSA-N 318.263 5.920 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1ccc(Cl)cc1Cl 2370484133 XYMCYHSVYHRECM-DLBZAZTESA-N 314.300 6.027 30 10 DKEE Cc1cccc(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)c1C 50039298 POGCXYOKLOUJKG-CQSZACIVSA-N 318.203 5.100 30 10 DKEE C=CCc1cc(C(=O)CC)ccc1OCCCc1ccccc1 66118046 VVTSKTPLXJRSAA-UHFFFAOYSA-N 308.421 5.019 30 10 DKEE SCCCCCCCCCSc1ccc2ccccc2c1 97800109 CNZUXCYWWONWJG-UHFFFAOYSA-N 318.551 6.592 30 10 DKEE CCCCOc1ccc(C(=O)/C=C\Nc2ccc(C)c(C)c2)cc1 103029110 ASVFIGLGVCKWPJ-SEYXRHQNSA-N 323.436 5.291 30 10 DKEE CCCCCCCOc1ccccc1CCCNCCC(C)C 106534480 YWWHUVVYHZGMEV-UHFFFAOYSA-N 319.533 5.604 30 10 DKEE CCCCCCC[C@H](NC)c1sc(C)cc1Br 114960230 SKBQIUWVTKYQTF-ZDUSSCGKSA-N 318.324 5.440 30 10 DKEE CCCCCCCC[C@@H](N)c1cc(OC)c(OC)cc1Cl 115856058 KUXFGOXMLCLAPC-OAHLLOKOSA-N 313.869 5.108 30 10 DKEE CC(C)(C)C1CCC([C@H](C#N)Nc2cccc(Cl)c2)CC1 130048831 YNPAEVLPEQPXDP-KVULBXGLSA-N 304.865 5.497 30 10 DKEE CCCCCCCC[C@@H](COc1cccc(Cl)c1)NCC 140281659 NNPPBNQFKAFAQD-KRWDZBQOSA-N 311.897 5.448 30 10 DKEE CCCCCCCCOc1ncc(Cl)cc1Br 159884573 RVEZOJZFKUKAPL-UHFFFAOYSA-N 320.658 5.237 30 10 DKEE CCCCCCCC[C@@H](N)Cc1cc(Br)cs1 162899755 GXUUPUCJDZFCGQ-CYBMUJFWSA-N 318.324 5.131 30 10 DKEE Oc1c(Cl)cc(Cl)cc1C=Nc1ccccc1C1CC1 254288311 LVEDIHUGQXELSF-UHFFFAOYSA-N 306.192 5.327 30 10 DKEE CCCCCCCCCCCCSCC(C)(C)C(=O)O 700350829 CBYMTUKZNNXAOB-UHFFFAOYSA-N 302.524 5.751 30 10 DKEE Fc1c(-c2cccc(C(F)(F)F)c2)cccc1C(F)(F)F 1848368062 HVEASUOZZUYSLJ-UHFFFAOYSA-N 308.196 5.530 30 10 DKEE N#Cc1cccc(Cl)c1-c1cc(Cl)c(Cl)c(Cl)c1 1848372856 LMMWGXLGFQWWBH-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cc(F)ccc1C(F)F 1900663982 SROWQMGAODYDCJ-UHFFFAOYSA-N 319.370 5.342 30 10 DKEE CCCCCCCCCC[C@](C)(O)c1ccc(Cl)s1 1919985658 DBIHLXHQLJTTSR-INIZCTEOSA-N 302.911 6.140 30 10 DKEE C=CCCCCCCCCC1(C#N)CN(C(=O)OC(C)(C)C)C1 1995323088 OJDZIOFGGPNACE-UHFFFAOYSA-N 320.477 5.054 30 10 DKEE CCCC[C@@](C)(C#N)Cc1cccc(Cl)c1Br 2000519135 AWAORRWDRGWMHY-CQSZACIVSA-N 314.654 5.365 30 10 DKEE CCCCCCCC[C@](C)(O)c1cscc1Br 2013601900 RGHJFDRSZOKUQF-AWEZNQCLSA-N 319.308 5.469 30 10 DKEE CC1(C)CCC(C#N)(Cc2csc(Br)c2)CC1 2024823390 HEOWYLGXDALRFO-UHFFFAOYSA-N 312.276 5.163 30 10 DKEE CCCCCCC[C@H](C)Nc1cnc(C)c(Br)c1 2031594898 SAYVGMWXJGUJSE-LBPRGKRZSA-N 313.283 5.313 30 10 DKEE C=C(Cl)C[C@H](NCC)c1ccc(SC(F)(F)F)cc1 2107992445 DZLKQNPLNQJBQV-LBPRGKRZSA-N 309.784 5.092 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1c(Cl)cccc1Cl 2108214677 XUPQSPNUUPDBOJ-CABCVRRESA-N 300.229 5.137 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccsc1Cl 2108229794 GTDAMAWHRAMEOM-CQSZACIVSA-N 302.915 5.437 30 10 DKEE C=C1CC(C[C@H](NCCC)c2ccc(C)cc2Br)C1 2125728909 MUHFLWLYXDXAOJ-KRWDZBQOSA-N 322.290 5.155 30 10 DKEE C=C1CC(CC[C@H](NCCC)c2ccc(Br)cc2)C1 2125743951 ZWWRVFGYNYNMQK-KRWDZBQOSA-N 322.290 5.236 30 10 DKEE CC(C)C(CCOc1ccc(C#N)c(Br)c1)C(C)C 2132725610 QNYOPGLNVOYRGO-UHFFFAOYSA-N 324.262 5.018 30 10 DKEE C=CCCCCCC[C@@H](N)Cc1c(Cl)cccc1Cl 2141912630 AIRZNRMYCHYOPH-CYBMUJFWSA-N 300.273 5.390 30 10 DKEE CCCCCCCCCCCC[C@](C)(O)[C@@H]1CCSC1 2146147462 QYSDLZRXVDNXCT-MSOLQXFVSA-N 300.552 5.802 30 10 DKEE C=C([C@@H](Cc1ccc(Cl)cc1Cl)NCCC)C(C)(C)C 2152939549 ADRAUPRHDJJZHC-MRXNPFEDSA-N 314.300 5.506 30 10 DKEE C=CCCCC[C@H](NCCC)c1c(F)ccc(Cl)c1F 2179683982 ZKOUTVHTHVQBGR-AWEZNQCLSA-N 301.808 5.405 30 10 DKEE CCCCCCCCCCN1CCCC[C@@H]1P(C)(C)=O 2195688560 SSPJMSYKNMSLSI-KRWDZBQOSA-N 301.455 5.562 30 10 DKEE CCC(CC)(CC)C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203955276 XYLUBDYNJCVKJF-AWEZNQCLSA-N 312.240 5.386 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(-c2cccs2)s1 2205866875 RIFMNMFGORMOQH-CQSZACIVSA-N 305.512 5.874 30 10 DKEE C=CCCCCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NC 2206900822 WTXDGCCWBBHMPW-OAHLLOKOSA-N 314.300 5.651 30 10 DKEE CCCC(CS)(CCC)CO[C@@H]1CCCC(F)(F)CC1 2207037003 GOKGYWGFHBZJSM-CQSZACIVSA-N 308.478 5.487 30 10 DKEE C=CCCCCCCCCC[C@H](CCCCSC)NN 2207441768 KQSJDQNKUPDGHK-QGZVFWFLSA-N 300.556 5.049 30 10 DKEE C=CCCCC[C@H](NCC)c1scc(Br)c1C 2213771953 RTBBATNWXAVYTQ-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CCCCCCCCCOc1nc(Cl)cc(Cl)n1 2225687627 HYKJRFLNZDQAQF-UHFFFAOYSA-N 303.233 5.079 30 10 DKEE C=CCCCCCCC[C@H](NC)c1ncc(Cl)cc1Cl 2235519379 PIDTYLHFTQWREA-HNNXBMFYSA-N 315.288 5.566 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccccc1NC(C)C 2244470283 UVUWVZNJBAJHBP-UHFFFAOYSA-N 308.469 5.085 30 10 DKEE C=CCC[C@@H](C)C(=O)c1cc(Br)cc(C(C)C)c1 2254763924 FBBAOFQWEKJACU-GFCCVEGCSA-N 309.247 5.358 30 10 DKEE C=CCC(C)(C)Oc1cc(Cl)sc1CN[C@@H](C)CC 2272680075 DYDNGMKGOGOPHE-NSHDSACASA-N 301.883 5.023 30 10 DKEE C=CCCCCCCC[C@@H](OCCN)c1cscc1Cl 2292644608 BLQNYUAIWOLHPL-MRXNPFEDSA-N 315.910 5.335 30 10 DKEE C[C@H](N=Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 2297732859 IRDCFPHSHHGXIY-GOBPUOAWSA-N 301.861 5.364 30 10 DKEE C=C(C)COc1cccc(C=CC(=O)c2ccc(C)c(C)c2)c1 2323281114 CJBUCDNHQKEMPM-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1ccc(Cl)cc1Cl 2344373673 BWKIBVYRWJOJJI-HOTGVXAUSA-N 300.273 5.636 30 10 DKEE C=CC[C@H]1CCC[C@@H]1Nc1c([N+](=O)[O-])ccc(Cl)c1Cl 2362241008 SMWFOHOULJTKAQ-ONGXEEELSA-N 315.200 5.058 30 10 DKEE C=CCCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2364415787 UPXNFNYBKDZJIZ-MRXNPFEDSA-N 314.300 6.089 30 10 DKEE Cc1c([C@@H](N)C#Cc2ccc(Cl)cc2)ccc(Cl)c1Cl 2364540888 HCXIBOPNQWWTNT-HNNXBMFYSA-N 324.638 5.007 30 10 DKEE CC[C@@H]1CC[C@](C#N)(CCCc2cc(Cl)cc(Cl)c2)C1 2366901161 VEYYPIWWKIFCSG-CXAGYDPISA-N 310.268 6.036 30 10 DKEE CC1CCC(C#N)(CCCc2cc(Cl)cc(Cl)c2)CC1 2366909339 HAAMHIVIJUAGCU-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CC=O 4095488 UJWPMRYSXHLYMB-GCOKGBOCSA-N 302.502 5.624 30 10 DKEE in-vitro CC(C)n1cc(/C=C2/Sc3ccccc3C2=O)c2ccccc21 33249116 JPJQCZIDYAIGTJ-YBFXNURJSA-N 319.429 5.552 30 10 DKEE Clc1ccc(/N=C2\NC[C@@H](c3ccccc3)S2)c(Cl)c1 35082595 MWIHJPJOHVMQDK-AWEZNQCLSA-N 323.248 5.059 30 10 DKEE C=CCn1c(-c2ccccc2C)nc2ccc(SCCC)cc21 43256540 YOIYAOKDZLDEGS-UHFFFAOYSA-N 322.477 5.700 30 10 DKEE N#Cc1cc(Oc2cc(Cl)ccc2Cl)nc2ccccc12 68796553 XAXFWHRXUYKISW-UHFFFAOYSA-N 315.159 5.206 30 10 DKEE C[C@H](c1cccc(Cl)c1)N(C)CC1(CS)CCCCC1 94579577 OLRVZGQGTQNEKU-CQSZACIVSA-N 311.922 5.213 30 10 DKEE CCCCCCCCCCC[C@H](CC=O)OCc1ccccc1 100049179 XEVZLJCXXPDLCG-OAQYLSRUSA-N 318.501 6.082 30 10 DKEE N#Cc1c(Cl)cccc1Nc1c(Cl)cc(F)cc1Cl 123438088 VDDRZYIYIVGGMW-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=C(C)C[C@H](NCC)c1ccc2cc(Br)ccc2c1 229736078 MKLXLIZKLLWIJL-KRWDZBQOSA-N 318.258 5.219 30 10 DKEE CCCCCCCCCCC(=O)c1scc(C)c1Cl 232920011 FDBMHXYIGPCEKD-UHFFFAOYSA-N 300.895 6.423 30 10 DKEE CCCCCCCCC[C@H](NCCC)c1ccsc1Cl 312552345 VRWLHKJANHOCMI-INIZCTEOSA-N 315.954 6.583 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(Cc2ccccc2)[C@H](C)C2CC2)C1 385765486 ALXFOBNHBACMGN-DEPWHIHDSA-N 310.485 5.006 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccc2ccccc2c1 698840785 OKGQHZRBUVAGGL-GOSISDBHSA-N 324.424 5.052 30 10 DKEE CCCCCCCN[C@H](C)c1ccc(F)c(Br)c1 703770100 GVGNEPYSJDGVAR-GFCCVEGCSA-N 316.258 5.209 30 10 DKEE CC1(C)CCC(C#N)(N(C(=O)OC(C)(C)C)C2CCCC2)CC1 710720888 PZVHYIMQBGDCDQ-UHFFFAOYSA-N 320.477 5.029 30 10 DKEE CCC(C)(C)C1CCC2(CC1)C[C@@H]2B1OC(C)(C)C(C)(C)O1 725349992 HFXRDCTVPXKBMH-HVEKOLDVSA-N 306.299 5.465 30 10 DKEE COC(=Nc1ccc(/C=C\c2ccccc2)cc1)c1ccccc1 888085049 MIDUQORSQGORPQ-PRYVEPBZSA-N 313.400 5.582 30 10 DKEE N#Cc1ccc(Cl)cc1-c1c(Cl)ccc(Cl)c1Cl 1848374653 DZFIRLOIZDWGAA-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC(C)(C)C1CCC(=NOC(=O)Nc2ccc(Cl)cc2)CC1 1860464516 GDIQFJKSICDIRD-UHFFFAOYSA-N 322.836 5.481 30 10 DKEE COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)c(C)c1 1874588615 VSBXUEWXAYLZMG-VAWYXSNFSA-N 316.400 5.361 30 10 DKEE C=C(COCc1ccccc1)[C@@H](CC1CCCCC1)NCCC 1922110302 KNXPFCKCYOSGOV-OAQYLSRUSA-N 315.501 5.098 30 10 DKEE C[C@@H](CC(C)(C)C#N)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 1931998612 NCWOSAGPFPLZOZ-IRXDYDNUSA-N 300.490 5.252 30 10 DKEE CC(C)C[C@@H](C)[C@](C)(C#N)N(C(=O)OC(C)(C)C)C1CCCC1 1939035946 PHHOIPNSTBJBIA-BEFAXECRSA-N 322.493 5.131 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(C)sc1Br 2026006084 YODYUACMSAQIJK-CYBMUJFWSA-N 317.292 5.379 30 10 DKEE C=C([C@H](NCC)c1c(C)cccc1Br)C(C)(C)C 2035417872 JIJWENLQVLWTQP-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccc(C)c(Br)c1C 2045817146 ZWCOJBDVSOVPBN-HNNXBMFYSA-N 310.279 5.073 30 10 DKEE CCCc1ccc(-c2cc(Br)c(C#N)s2)cc1 2080356745 PIFXCDBCYQNLQC-UHFFFAOYSA-N 306.228 5.002 30 10 DKEE CCCCCC#CCNc1c(Cl)cc(Cl)cc1Cl 2083411820 SUHQLDHGKWALRL-UHFFFAOYSA-N 304.648 5.642 30 10 DKEE CC(C)C(C(C)C)[C@@](C)(C#N)Nc1ccccc1Br 2087311750 AIDULOLEIKIZTE-MRXNPFEDSA-N 323.278 5.071 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2cccc(Br)c2)CC1 2100867925 RPWUBBKVZKODDY-QGZVFWFLSA-N 323.274 5.167 30 10 DKEE C=C(C[C@@H](NCCC)c1ccc(Br)cc1)C(C)(C)C 2113418345 SFKNSIGOYRUJPW-MRXNPFEDSA-N 324.306 5.482 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1ccccc1Br 2113427885 WGOHFYHCJRTAMA-QGZVFWFLSA-N 324.306 5.626 30 10 DKEE N#Cc1ccc(NCc2cc3sccc3s2)cc1Cl 2140594563 UANOSQZKXLSTFS-UHFFFAOYSA-N 304.827 5.100 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C(F)(F)F)cc1Cl 2179257027 OROINWWAZFJMEY-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C[C@H](Nc1cc(Cl)c(F)cc1C#N)c1cccc(Cl)c1 2184459745 IENFBPOYEUERON-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CN(Cc1cc2sccc2s1)c1ccc(C#N)cc1Cl 2205540492 QWEBZRLMKQAVLW-UHFFFAOYSA-N 318.854 5.124 30 10 DKEE CCCCCCCC[C@@](C)(N)C[C@@H](C)COCc1ccccc1 2212656584 WYGSVTKNBGNUNZ-TZIWHRDSSA-N 319.533 5.697 30 10 DKEE C=CCN(C(=O)OC(C)(C)C)[C@](C)(C#N)CCCCCCCC 2212659262 CIKJLZQOUADFAJ-IBGZPJMESA-N 322.493 5.442 30 10 DKEE CCCCCCC[C@@H](N)c1sc(Br)c(C)c1C 2213631122 VIDIQSINYTYDSF-GFCCVEGCSA-N 318.324 5.488 30 10 DKEE C=CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)CC)cc1C 2217116825 PDDOXQOTOUYDBO-IBGZPJMESA-N 322.496 5.076 30 10 DKEE C=CCCCCCCC[C@@H](O)c1cc(Cl)c(Cl)s1 2220094312 UZLMZLWNFULLON-GFCCVEGCSA-N 307.286 6.005 30 10 DKEE C=C[C@@](C)(CN[C@@H](C)CC)Cc1c(Cl)cccc1Cl 2231512803 PJDJHPNPWNRSPG-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CCCCCCCC[C@@]1(O)CCC[C@@H](P(C)(C)=O)C1 2235520255 XMOYLFYIEAWNJM-IAGOWNOFSA-N 300.423 5.200 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cccc(Cl)c1Br 2250140341 QVJDCOOYDBRGQE-CYBMUJFWSA-N 317.654 5.272 30 10 DKEE C=C([C@H](NCC)c1cc(Cl)c(Cl)cc1C)C(C)(C)C 2270972562 BQFHVWGSJMVMDN-HNNXBMFYSA-N 300.273 5.555 30 10 DKEE C=C(C)CCCCC(=O)c1ccc(SC(F)(F)F)cc1 2287470708 TYWYBWUGJBSDCB-UHFFFAOYSA-N 302.361 5.618 30 10 DKEE CCN[C@H](C#CC1CCCCC1)c1cccc(Cl)c1Cl 2289680537 GJAYEJCYNQNGNZ-MRXNPFEDSA-N 310.268 5.228 30 10 DKEE CCOc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl 2294300170 ZGWXGNITEHTNEW-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE CC#CCCCC[C@H](NCC)c1ccc(C(F)(F)F)s1 2295260644 LRFWATHNDVNIMV-LBPRGKRZSA-N 303.393 5.001 30 10 DKEE CC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 2330459092 KJRGJFPKUXJWPY-UHFFFAOYSA-N 309.453 5.542 30 10 DKEE CCCCCCCNc1cc(Cl)c(C(=O)O)c(Cl)c1 2340770188 BXTHECJNNLPVAL-UHFFFAOYSA-N 304.217 5.074 30 10 DKEE CCCCCCCC[C@@](C)(O)c1c(Cl)cc(F)cc1Cl 2360421034 NAMPDBSZYAFSGU-MRXNPFEDSA-N 321.263 6.091 30 10 DKEE C=C1CCC(C[C@H](NC)c2ccc(Cl)c(Cl)c2C)CC1 2364532824 GVENYYFUJLTNIT-INIZCTEOSA-N 312.284 5.699 30 10 DKEE C=CCC(CC=C)[C@H](NCCC)c1cc(OC)c(Cl)s1 2365804931 XYLPDSLJWBUSGY-HNNXBMFYSA-N 313.894 5.219 30 10 DKEE CC1=CCCC(C)(C)[C@@H]1/C=C(/C)C(=O)/C=C/c1cccs1 12366872 JBPFDMURTIPODJ-JVXSBBEASA-N 300.467 5.659 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(Br)cc1 59284921 BJQQKTMTLXMPLQ-INIZCTEOSA-N 312.295 5.460 30 10 DKEE Cc1c(OCC(C)C)ccc(C(=O)/C=C/c2cccs2)c1C 83193564 WAHSAFIRCMGTEK-VQHVLOKHSA-N 314.450 5.296 30 10 DKEE CCCCCCCOc1ccc(CN[C@@H]2CCC[C@@H](C)C2)cc1 100131408 IUHRFQSCOITEIH-UYAOXDASSA-N 317.517 5.704 30 10 DKEE CCCCCCCC[C@H](CO)c1ccccc1Br 118663917 HPECUFZBIHCMFO-CQSZACIVSA-N 313.279 5.276 30 10 DKEE CCCCCCCCCCC(=O)COc1cccc(Cl)c1 135632794 HBRPLSGFOWWKDD-UHFFFAOYSA-N 310.865 5.819 30 10 DKEE CCCCCCCCCCNc1cccc(SC)c1C#N 136683072 KNBGKTKKTRIEEQ-UHFFFAOYSA-N 304.503 5.833 30 10 DKEE Cc1ccc(Cl)c(Oc2ccc(C(F)(F)F)c(C#N)c2)c1 164500008 KZLHEASJGXVZGK-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE CCCCCCCCCC[S@@](=O)c1ccc(N)c(Cl)c1 166412865 NRWCNFIYLLERNE-FQEVSTJZSA-N 315.910 5.171 30 10 DKEE CCCN(CCCCCCCCCS)Cc1ccccc1 384408739 JBOZJPMHXYIPRK-UHFFFAOYSA-N 307.547 5.559 30 10 DKEE C=C(COC(C)C)[C@@H](NCCC)c1cc(Cl)ccc1Cl 387496977 FHBAJWKPNSINRY-MRXNPFEDSA-N 316.272 5.015 30 10 DKEE C/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccc(-c2ccccc2)cc1 396769512 RPEBCWFQFCUGRQ-FOCLMDBBSA-N 320.241 5.388 30 10 DKEE C#CCCCCCOc1ccc2cc(Br)ccc2c1 686678141 KCNCERFUZQPMGI-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE C=CCC[C@@H](C)Nc1ccc(NC(=O)OC(C)(C)C)cc1C 690844386 YYPCGLOPMITZBH-CQSZACIVSA-N 304.434 5.109 30 10 DKEE CCCCCCCC[C@H](NCC)c1cc2cscc2s1 694353934 YQHKQJSYHBLOMQ-HNNXBMFYSA-N 309.544 6.364 30 10 DKEE CCCCCCCCC[C@]1(N)CCCN(Cc2ccccc2)C1 707868621 NSKUXGINOVQEHK-NRFANRHFSA-N 316.533 5.121 30 10 DKEE C=CCCCCC[C@H](N)c1ccc(Cl)cc1C(F)(F)F 712563592 KHVDRYCADJOHDK-AWEZNQCLSA-N 305.771 5.495 30 10 DKEE C/C(=N\OCc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C 1857935472 KJRGJFPKUXJWPY-OQKWZONESA-N 309.453 5.542 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cccc(Cl)c1F 1892438916 HATDKKAJLVLKED-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=C(C)CCCN[C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 1935958251 HPWYESUNGMDTAC-HNNXBMFYSA-N 318.461 5.041 30 10 DKEE CCCCCCCCCC[C@]1(N)CC[C@@H]1OCc1ccccc1 1939548659 ZKNSRGRGYKZBTE-SFTDATJTSA-N 317.517 5.594 30 10 DKEE C=C(C)CN(CCCOc1cc(C)cc(C)c1)Cc1ccccc1 2019344832 SPEISLJTHAZVEA-UHFFFAOYSA-N 323.480 5.151 30 10 DKEE Cc1ccc(C(=O)C2=CCC(C)(C)CC2)cc1Br 2061190393 WJSBYNQEJUECKF-UHFFFAOYSA-N 307.231 5.077 30 10 DKEE C=CC[C@@](C)(Nc1nc(Cl)c(Cl)cc1Cl)C(F)F 2061765829 PVCCDUJKTCNRPF-LLVKDONJSA-N 315.578 5.054 30 10 DKEE CCCc1ccc([C@H](C)n2nc(C(C)C)c(C#N)c2Cl)cc1 2080036785 KMJPLBBKTJOAKH-ZDUSSCGKSA-N 315.848 5.093 30 10 DKEE C=C([C@@H](NCCC)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2096622196 TVCAEKVASWZTRK-OAHLLOKOSA-N 300.273 5.636 30 10 DKEE C[C@H](CC1=CCCCC1)Nc1cc(Br)ccc1C#N 2105126438 RATJFERDSZBHJG-GFCCVEGCSA-N 319.246 5.012 30 10 DKEE C=C(Cl)C[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2107918105 TZWPKHFVDCYLBF-CYBMUJFWSA-N 312.265 5.472 30 10 DKEE C=CCCCCCCC[C@H](NCC)c1nc(Cl)cs1 2227268906 UIYAPYCOKGFUPQ-ZDUSSCGKSA-N 300.899 5.364 30 10 DKEE C=C1CC(C[C@H](Cc2cc(Cl)ccc2Cl)NCCC)C1 2234044208 STZCEDIAMSQGIB-MRXNPFEDSA-N 312.284 5.260 30 10 DKEE C=C[C@@H](CC)OC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2239486740 JNXHTTHCZNXOHB-BBRMVZONSA-N 316.272 5.015 30 10 DKEE C=C(C)CCCC[C@]1(O)CC[C@@H](C)C[C@@H]1OCc1ccccc1 2244650620 KQSFNKAWHIIIIC-GIVPXCGWSA-N 316.485 5.259 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(Cl)cc1Cl 2271839945 XBRTVVYYWWMZBA-INIZCTEOSA-N 300.273 5.781 30 10 DKEE Cc1cc(Cl)c(Cl)cc1[C@H](O)CC#CC1CCCCC1 2286456548 AMMSRWIBALLVGX-QGZVFWFLSA-N 311.252 5.309 30 10 DKEE C=CCCCCCCCSc1nc(C[C@H](N)CC)cs1 2287090235 PFOIDRVGQSOHLI-CQSZACIVSA-N 312.548 5.042 30 10 DKEE CCCCCCC[C@@H](OCCN)c1cc2sccc2s1 2293674045 VXNKRLUCAKGQTC-CYBMUJFWSA-N 311.516 5.340 30 10 DKEE C=CCCCCCCNCc1sc(C(F)(F)F)cc1C 2295047695 SHTFKYXNHLVWMM-UHFFFAOYSA-N 305.409 5.301 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1c(C)sc(C)c1Br 2304026796 CSBKSCYHQSYINM-KBPBESRZSA-N 316.308 5.120 30 10 DKEE CCC(=NOCc1cccc(Cl)c1)c1ccc(C)cc1C 2330259174 VODRVZBMPIRVEF-UHFFFAOYSA-N 301.817 5.288 30 10 DKEE CCc1ccc(C(C)=NOCc2ccc(Cl)c(Cl)c2)cc1 2330452319 WWORDKKGDSHZTN-UHFFFAOYSA-N 322.235 5.497 30 10 DKEE C=CCCCC[C@@H](NCC)c1ccc(Cl)c(Cl)c1C 2339007806 QBSMMLWCYUDDTM-OAHLLOKOSA-N 300.273 5.699 30 10 DKEE C=CC[C@H](C)[C@@H](NC)c1cc(Br)cc(C(C)(C)C)c1 2344345826 OSMMEVDIKMNUGR-BLLLJJGKSA-N 324.306 5.219 30 10 DKEE C=CCC(C)(C)[C@@H](NCC)c1cc(Cl)c(C(F)F)s1 2345141154 RYEFVRWRLNMUCC-LBPRGKRZSA-N 307.837 5.592 30 10 DKEE CCCC[C@@](C#N)(CC)Cc1cc(Cl)c(OC)c(Cl)c1 2365504755 UOQDSKOOFRBLOZ-INIZCTEOSA-N 314.256 5.655 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366417519 IRSYSJZJWHCAHN-IAQYHMDHSA-N 316.247 5.223 30 10 DKEE C=CC[C@@H](C)[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377412330 VYMLTYHYHSBQHJ-BDJLRTHQSA-N 318.263 5.255 30 10 DKEE O=C1/C(=C\c2ccc(Cl)cc2Cl)CCc2ccccc21 103102 KIPPRWZRZJOSEN-LCYFTJDESA-N 303.188 5.206 30 10 DKEE CC1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 4825970 XAFUACCGKZJENE-PWDIZTEBSA-N 324.370 5.431 30 10 DKEE CC(C)c1ccc([C@@H]2Nc3c(C#N)cccc3[C@H]3C=CC[C@@H]32)cc1 14462640 ZVYGFJIJGLOJOI-ZJOUEHCJSA-N 314.432 5.508 30 10 DKEE SCCCCCCCCCSc1cccc(Cl)c1 97800120 XQIXESHDSJWVHA-UHFFFAOYSA-N 302.936 6.093 30 10 DKEE Cc1ccc(N/C=C\C(=O)c2ccc(C(C)C)cc2)cc1Cl 103030014 SXHNNUNZKFBREE-KHPPLWFESA-N 313.828 5.580 30 10 DKEE CCCCCCCOc1ccccc1CCCN[C@@H](C)CC 106534410 ALDRIXRHKHKCKJ-SFHVURJKSA-N 305.506 5.357 30 10 DKEE CCCCCCCCCCCCC(=O)Cc1csc(C)n1 109711151 ILUYJPJCKTZXQK-UHFFFAOYSA-N 309.519 5.874 30 10 DKEE CCCCCCCCCCCC[C@](C)(O)c1sccc1C 115653739 UQYLFYJNOOXFSC-IBGZPJMESA-N 310.547 6.575 30 10 DKEE CSc1cccc(N[C@H](c2cccs2)C(C)C)c1C#N 136641311 ICGOYHRTVAABEN-INIZCTEOSA-N 302.468 5.151 30 10 DKEE C=CCCC[C@H](NCC)c1cccc(Br)c1Cl 167726124 QVBOZHCIMWHSJP-ZDUSSCGKSA-N 316.670 5.109 30 10 DKEE Cc1ccc(C)c(Oc2ccc(C#N)cc2Br)c1C 213388087 MUWMJTKKZAKWDC-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C[C@H](CC(C)(C)C#N)N(Cc1ccccc1)Cc1ccccc1 695844478 WWUMJEGJDVMYPU-GOSISDBHSA-N 306.453 5.017 30 10 DKEE FC(F)(F)c1cccc(C#Cc2cc(Cl)cc(Cl)c2)c1 1614730784 LQTWKSCWCYVFMO-UHFFFAOYSA-N 315.121 5.412 30 10 DKEE C=CCOc1ccccc1/C=C/C(=O)c1ccc(C(C)(C)C)cc1 1874581919 MWYVQBYBLPRQBK-NTCAYCPXSA-N 320.432 5.445 30 10 DKEE CCCCCCCCC[C@H](O)C1CC(OCc2ccccc2)C1 1976723650 QOQMZQGYTRVQNQ-CBNMVNINSA-N 318.501 5.483 30 10 DKEE C=CCCCCCCCCCN(C)CCOCc1ccccc1 1995315177 DLYPTVPWAPYVRZ-UHFFFAOYSA-N 317.517 5.442 30 10 DKEE N#Cc1ccc(NCc2cc(Cl)c(Cl)s2)cc1Cl 2037472078 CFYOKRIMMVAZNQ-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CCCCCCCC[C@H](NC)c1cc(Cl)c(Cl)s1 2038527299 GGJSONLRXFXYSG-LBPRGKRZSA-N 308.318 6.066 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(Cl)sc2Cl)C1 2074818607 DXAUUFZRBXQKNO-QMTHXVAHSA-N 305.270 5.383 30 10 DKEE C=CCCCCCCNc1cc(C)c(Br)c(C)c1 2085849685 NJYGACZALKXYMK-UHFFFAOYSA-N 310.279 5.614 30 10 DKEE C=CCCC[C@@H](CCc1cc(Cl)cc(Cl)c1)NCC 2116485591 FFPJTEFZYZHQAI-INIZCTEOSA-N 300.273 5.260 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(-c2cccs2)cs1 2164194408 DVKDRAVVFSZJCI-HNNXBMFYSA-N 305.512 5.874 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cscc1C(F)(F)F 2206885458 MFLLQLPSFQPSQW-CQSZACIVSA-N 305.409 5.554 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1ncc(Cl)cc1Cl 2206898531 HXTWKZFRVDBONE-OAHLLOKOSA-N 315.288 5.566 30 10 DKEE C=CCCCCCCCC[C@H](NCC)c1sccc1Cl 2207407753 GIGVXLMYMNNWCK-INIZCTEOSA-N 313.938 6.359 30 10 DKEE C=C[C@@H](CCCCC)OCc1ccsc1Br 2212484263 XABOKVQRYGWATM-LBPRGKRZSA-N 303.265 5.162 30 10 DKEE CCCCCCCC[C@@](C)(N)c1c(Cl)ccc(Cl)c1F 2240618885 YGDHAVLWMICMIV-MRXNPFEDSA-N 320.279 6.057 30 10 DKEE CCN[C@H](C#CC1CCC1)c1c(Cl)ccc(Cl)c1Cl 2337414458 DOXJKSBTZKDGCL-CYBMUJFWSA-N 316.659 5.101 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1cc(Cl)c(C(F)F)s1 2345160823 DSIRQQBCOMEKSN-SKDRFNHKSA-N 307.837 5.592 30 10 DKEE C=CCCCCCCCSC[C@@](C)(CS)C(C)(C)C 2352095215 GJKYPNAHOQTEHU-QGZVFWFLSA-N 302.593 6.228 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc(OC)c(Cl)s1 2365803357 NBEAUFGUTDSBGT-ZDUSSCGKSA-N 315.910 5.587 30 10 DKEE C=CC[C@@](C)(CC)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 2370555353 LQQZSROEFWUESY-CQSZACIVSA-N 304.739 5.534 30 10 DKEE CC[C@H]1CCC[C@@](C=O)(Cc2cc(F)c(Cl)cc2Cl)C1 2377403203 MGHZMTCRBOPNNT-ZBEGNZNMSA-N 317.231 5.461 30 10 DKEE C[C@@H](Nc1ccc(OCC#N)cc1)c1ccc(Cl)cc1Cl 19983285 JUXOYOPBSDSEJQ-LLVKDONJSA-N 321.207 5.069 30 10 DKEE N#Cc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)cc1 20505128 XDSCIFQSRUWDKR-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE CN1/C(=C\C(=O)c2ccc(C(C)(C)C)cc2)Sc2ccccc21 35482803 BULHYFKVNCDPDY-CPNJWEJPSA-N 323.461 5.250 30 10 DKEE COc1cccc(/C=C/C(=O)c2ccc(C)c(C(C)(C)C)c2)c1 83193433 VSBDDABVJBGACQ-ZRDIBKRKSA-N 308.421 5.197 30 10 DKEE CCCc1c(C#N)c2ccc(Cl)cc2n1-c1ccc(C)cc1 90416952 OURTZSSVINQGQS-UHFFFAOYSA-N 308.812 5.417 30 10 DKEE FC(F)(F)c1cccc(SCC2(CS)CCCC2)c1 94589309 NDJPUKXHMBWCKA-UHFFFAOYSA-N 306.418 5.288 30 10 DKEE CCCCCCCCNc1c(Cl)cccc1C(F)(F)F 109766566 PSDLUCQDSIDNFN-UHFFFAOYSA-N 307.787 6.131 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2C)C1 110354631 YKIPPVNLOGTTMF-JFIYKMOQSA-N 301.499 5.832 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cccc(F)c2Br)C1 157843752 ZZYPQNPHOOSSBP-WBMJQRKESA-N 324.237 5.241 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(C(C)(C)C)cc2)C1 222270536 RRTUDLPOEMPMOD-RKVPGOIHSA-N 301.499 5.795 30 10 DKEE CCCCCCCCCCC[C@@H](Cc1nc(C)cs1)NC 228874813 MSFWZQFXTVLSHV-KRWDZBQOSA-N 310.551 5.503 30 10 DKEE N#Cc1ccnc(Sc2cc(Cl)ccc2Cl)c1Cl 236060004 RDAQUEJDNRPLHH-UHFFFAOYSA-N 315.612 5.065 30 10 DKEE N#Cc1cc(F)cc(CSc2ccc(Cl)cc2Cl)c1 322557043 WLZFFOLQOQQBRK-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE C=CCCCCCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl 383839203 UFDHZAWQGVYXPR-UHFFFAOYSA-N 317.216 5.450 30 10 DKEE CCCCCCCNc1cccc(Br)c1Cl 690744748 MKSRBPHBDHRFIR-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE C=CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2sc(Cl)cc21 692237952 BERMLKWPTJNSSA-BPLDGKMQSA-N 309.906 5.503 30 10 DKEE C=CCCSCCN[C@@H](C)c1sc2ccccc2c1C 696099264 KBPHMXZLPGSHKX-AWEZNQCLSA-N 305.512 5.170 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@H](C#N)CCC1CCCCC1 712366904 PZQKDAPYCAEFPX-QGZVFWFLSA-N 320.477 5.029 30 10 DKEE CCCCCCCCC[C@@H](O)c1ncc(Br)s1 714045689 GSTAITBIEARBLH-LLVKDONJSA-N 320.296 5.080 30 10 DKEE CC(C)(C)c1ccc(C#Cc2c(Cl)cccc2Cl)cc1 1614730564 CZLMPMOAZMVLFZ-UHFFFAOYSA-N 303.232 5.691 30 10 DKEE CCCCCCCCCCCCCCN[C@@H]1CCCC[C@H]1O 1615946882 DSVVGSQCZNZDJB-WOJBJXKFSA-N 311.554 5.581 30 10 DKEE CCCCCCCSc1nc(-c2ccccc2OC)cs1 1860806461 CLQCONUWHRZTPH-UHFFFAOYSA-N 321.511 5.881 30 10 DKEE C=CC1(CNc2ccc3ccccc3c2Br)CCC1 2111710253 DCNUIZSVVYLWNM-UHFFFAOYSA-N 316.242 5.371 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(C)c(Br)c(C)c1 2123080612 OLNZBJAGNNGOPP-INIZCTEOSA-N 324.306 5.463 30 10 DKEE CCCCCCC[C@H](O)[C@@H](NCCC)c1sccc1Cl 2148554104 YOIUZFUCBHYBNT-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE Cc1cc2sc([C@H](N)CC#CC3CCCCC3)cc2s1 2156531861 RKBLYLULACVVKQ-CQSZACIVSA-N 303.496 5.245 30 10 DKEE C#CCCC[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164165419 KJTVESUXNZKQSI-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCC[C@@](C)(C#N)[C@@](C)(O)c1cc(F)c(Cl)cc1Cl 2164470435 SWQJGLDVDVQPEC-GJZGRUSLSA-N 318.219 5.060 30 10 DKEE C=CC1(C[C@H](NCCC)c2ccc(Cl)c(Cl)c2)CCC1 2168022951 IQLYAZKXJBEFQO-INIZCTEOSA-N 312.284 5.781 30 10 DKEE CC(C)[C@@H]1CC=C(C(=O)CSc2ccccc2Cl)CC1 2181672768 ZSXSPUAZCLDQRZ-CYBMUJFWSA-N 308.874 5.384 30 10 DKEE C=CCCCCCCCCC[C@@H](CSC(C)(C)C)NN 2207441475 YNRQYNOVIIGERB-INIZCTEOSA-N 300.556 5.047 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)CCCCC1CC1 2235459759 HZGCPCKHGXHCSV-FQEVSTJZSA-N 301.540 5.754 30 10 DKEE C=CCCCCCCC[C@H](N)c1c(F)ccc(F)c1Cl 2235520365 YUUOXYLWWQUXPV-AWEZNQCLSA-N 301.808 5.535 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1ncc(Cl)s1 2237920319 APUSUDHSWMZYPN-CYBMUJFWSA-N 317.930 5.222 30 10 DKEE O[C@@H](C#CC1CCCCC1)c1cc(-c2cccs2)cs1 2289619406 XCWGNEDKOWGORY-HNNXBMFYSA-N 302.464 5.094 30 10 DKEE Cc1ccc(-c2ccc(C=CC(=O)c3ccco3)o2)cc1Cl 2293038379 SMQJQKGJRQKXQK-UHFFFAOYSA-N 312.752 5.398 30 10 DKEE CC1=C(C)SC(=C2CCCC(=Cc3ccccc3)C2=O)S1 2296861684 AKGFWOKGRJLUCV-UHFFFAOYSA-N 314.475 5.766 30 10 DKEE C=CC[C@@](C)(CC)[C@H](O)c1ccc(Cl)cc1Br 2304119719 MNPQLWWHDHYKEG-ZIAGYGMSSA-N 317.654 5.128 30 10 DKEE C=CC[C@](C)(CC)[C@@H](O)c1c(C)sc(C)c1Br 2304127610 HTHLKVIXUZRLNL-KBPBESRZSA-N 317.292 5.153 30 10 DKEE C=CCC(CC=C)SC[C@H](N)c1ccc(Cl)c(Cl)c1 2335202637 FDQQHBOBEWBKFM-HNNXBMFYSA-N 316.297 5.247 30 10 DKEE C=CCC(CC=C)Sc1cc(C)c(CN[C@H](C)CC)s1 2360374833 LVSDUGPKHQVSAC-CQSZACIVSA-N 309.544 5.558 30 10 DKEE CCC1(CC)CC(C#N)(Sc2ccc(Br)cc2)C1 97241652 PENRAFMARYRLPU-UHFFFAOYSA-N 324.287 5.404 30 10 DKEE CCCCCCCCCCCC[C@@H](N)c1ccccc1Cl 109739034 WPPFQQQMOKCGLG-LJQANCHMSA-N 309.925 6.651 30 10 DKEE C=CCSc1ccccc1N[C@@H](CC)c1cccc(Cl)c1 109900974 CEKUIAWBOQXFOC-INIZCTEOSA-N 317.885 6.181 30 10 DKEE C=CCSc1ccccc1NCc1cccc(Cl)c1Cl 109901212 QYYKJKUBTDKESL-UHFFFAOYSA-N 324.276 5.884 30 10 DKEE CCCCCCCCCCOc1ccc(CNC)cc1Cl 110095662 PTCSHJJTVNSRGT-UHFFFAOYSA-N 311.897 5.579 30 10 DKEE CCCCCCC[C@H](CNCCC)Cc1ccc(Cl)cc1 110917386 QVDSAQLZNZPPLE-SFHVURJKSA-N 309.925 5.859 30 10 DKEE N#Cc1cc(Br)ccc1Sc1ccc(Cl)cc1 127128297 BBZZDMWBQMKRPL-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE Cc1ccc([C@@](C)(O)C2(C#N)CCC(C(C)(C)C)CC2)s1 127284779 BLYXYPAOSWXKKK-ZCDVPAHGSA-N 305.487 5.010 30 10 DKEE CCCCCCCCC[C@@H](O)c1ncc(Cl)cc1Cl 128417499 TUJIGKWRCLMIDX-CQSZACIVSA-N 304.261 5.563 30 10 DKEE CCCCCCC[C@@H](C)Nc1ccc(Br)cc1C#N 132161619 IVHSBCFPRVYXTN-CYBMUJFWSA-N 323.278 5.482 30 10 DKEE C=CCSc1ccccc1N[C@H]1C[C@@H](C)CC[C@H]1C(C)C 218092821 GVUHZOVDZAYVGR-BQFCYCMXSA-N 303.515 5.837 30 10 DKEE Cc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1C#N 306281563 XDJCNSFTSWVIBC-UHFFFAOYSA-N 312.416 5.074 30 10 DKEE CCCCCCCCCCCC[C@@H](NN)C(C)(C)SC 327660857 WRQTZFNTMJLRQM-MRXNPFEDSA-N 302.572 5.271 30 10 DKEE N#C[C@H](CSc1ccc(Cl)cc1Cl)C1CCCC1 397226891 RZNYZRAXLQNABV-LLVKDONJSA-N 300.254 5.415 30 10 DKEE Cc1ccc(Br)c(Oc2ccc(C#N)c(Cl)c2)c1 699831539 YRXAOHSRGJXLGK-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCCC(C)(C)CN[C@@H]1CCc2ccc(Br)cc21 704042336 YIHFQCXEGUVCEE-MRXNPFEDSA-N 322.290 5.018 30 10 DKEE C=CC[C@@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1)NCCC 715751275 YNSFADRSTKKJMK-WBMJQRKESA-N 300.273 5.116 30 10 DKEE CCCCCCCCCC1(O)CCN(Cc2ccccc2)CC1 716688540 FJEVZQDNUBLIOL-UHFFFAOYSA-N 317.517 5.154 30 10 DKEE C=CCCCCC[C@H](NCC)c1csc(C(F)(F)F)c1 718632310 YDGJSFBSIDXHGM-ZDUSSCGKSA-N 305.409 5.554 30 10 DKEE CC/C(=N\OCc1ccc(Cl)cc1F)c1ccc(C)cc1 821217305 DFHLVDOELBPTFX-LVZFUZTISA-N 305.780 5.118 30 10 DKEE C#CCCCCC[C@](C)(N)c1ccc(OCc2ccccc2)cc1 1949017866 ONHPVYLOHZFIPF-QFIPXVFZSA-N 321.464 5.023 30 10 DKEE CSc1ccc(Cl)cc1C(=O)C=Cc1sccc1C 1951306619 CEPLCMSXEWSPMG-UHFFFAOYSA-N 308.855 5.328 30 10 DKEE C=C(Cl)C[C@@H](NCCC)c1cc(Br)c(C)s1 1978560134 JWEMRAAGCGHLGJ-LLVKDONJSA-N 322.699 5.002 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2cc(Br)cs2)CC1 2010783769 VUNSNMRSRVBRNW-JTQLQIEISA-N 313.260 5.076 30 10 DKEE C=CCCCCCCOc1c(F)cccc1Br 2026020464 ARIRMESZZMRKSY-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE CCCCCCC[C@@H](O)[C@H](NCCC)c1sccc1Cl 2148554101 YOIUZFUCBHYBNT-CABCVRRESA-N 317.926 5.164 30 10 DKEE CCCCCCCCCC[C@H](NN)c1ccc(SC)s1 2149703308 AZDMRMZQXYPANH-AWEZNQCLSA-N 314.564 5.505 30 10 DKEE CC#CCCC[C@H](O)c1ccc(-c2ccccc2Cl)s1 2194057960 CEMNLFUACUJVGT-HNNXBMFYSA-N 304.842 5.296 30 10 DKEE CC(C)(C)C#C[C@@H](N)c1ccc(-c2cccc(Cl)c2)s1 2233781130 FCPJMYGSHOPIPG-CQSZACIVSA-N 303.858 5.118 30 10 DKEE Cc1csc(CN(C)CCCCCCCCCS)c1C 2234219433 ILGFAKBVQMJXRA-UHFFFAOYSA-N 313.576 5.457 30 10 DKEE C=CCCCCCCCC(=O)[C@@](C)(O)c1csc(Cl)c1 2235533153 RLDBBOLYVKHTFQ-INIZCTEOSA-N 314.878 5.095 30 10 DKEE CCCN[C@H](C#Cc1cccc(Cl)c1)c1ccc(Cl)s1 2239558358 FUOAEAZJOUXBCP-CQSZACIVSA-N 324.276 5.147 30 10 DKEE C=CCCCCCCCSc1cc(F)c(Cl)cc1N 2271582166 NTGVLVDPEUWRMV-UHFFFAOYSA-N 301.858 5.680 30 10 DKEE C=CCCCCC[C@@H](OCCC(=O)O)c1sccc1Cl 2291442630 LVBBUKUHNRQUME-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE C=C(C)CCCC[C@H](OCCN)c1ccc(Cl)cc1Cl 2292800790 RVQMVKQUCFKQRR-INIZCTEOSA-N 316.272 5.146 30 10 DKEE CCCCCCCCCC[C@@H](CCSCC)OCCN 2293527211 HYPWZYOKHWIRHI-KRWDZBQOSA-N 303.556 5.004 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Br)c(Cl)c1 2304126458 XKGBFOXJPDWVJQ-UONOGXRCSA-N 317.654 5.128 30 10 DKEE C=CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)c(Br)c1 2337115262 ZASKFKZVUNYDHT-JJRVBVJISA-N 322.290 5.153 30 10 DKEE C=CC[C@@H](CNC(C)C)Cc1ccc(Cl)c(Cl)c1C 2338852292 MTTKUJKEGWNCNE-CYBMUJFWSA-N 300.273 5.035 30 10 DKEE C=CCCCCCCCSCC1(CS)CC(C)(C)C1 2345010128 KBPGWAGUQYUIPG-UHFFFAOYSA-N 300.577 5.982 30 10 DKEE C#CC(C)(C)C[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366413815 ZCTHOFFRZCVGRM-AWEZNQCLSA-N 316.247 5.223 30 10 DKEE Cc1ccc(C)c(S[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2C#N)c1 37155825 HFZATPNLDKJTEB-NUJGCVRESA-N 301.499 5.750 30 10 DKEE CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/C(=O)c1cccc3ccccc13)C2 54061513 NJAUAVBOKXJGQK-LJNKFMCFSA-N 305.421 5.267 30 10 DKEE CCCCCCCC(=O)CC(=O)c1ccc(Cl)cc1Cl 59207893 FUWNTCAMBKQNLG-UHFFFAOYSA-N 315.240 5.496 30 10 DKEE CCCc1c(-c2cc(Cl)ccc2Cl)sc(C#N)c1N 93074584 NTAFZTPGHMDHDL-UHFFFAOYSA-N 311.237 5.128 30 10 DKEE N#Cc1csc(CNc2cc(Cl)c(Cl)cc2Cl)c1 93684950 WTKWWQNOHUHIBT-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CCCCCCCCCCCCOc1ccc(N)c(Cl)c1 109686067 RPGGWXAARXXJMI-UHFFFAOYSA-N 311.897 6.222 30 10 DKEE CCCCCCCCCC[C@H](CN)Cc1cccc(Cl)c1 110181224 CQTFDLFJFYVQJV-SFHVURJKSA-N 309.925 5.988 30 10 DKEE C=C(C)CC[C@H](NCCC)c1ccc(C)c(Br)c1 125789789 VXTWLZSIJGSJPF-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCCCCCCCCCCC[C@@H](CSCC(C)C)NN 126610938 RVCZYWUEXFMWSC-SFHVURJKSA-N 316.599 5.519 30 10 DKEE CCCCCCCC[C@H](NCCC)c1ccc(SC)cc1 158982114 JHRQYGHUFZMCDB-IBGZPJMESA-N 307.547 6.200 30 10 DKEE CCCCCCCC(=O)c1cccc(F)c1Br 164710964 BMASCCXYFGSGEA-UHFFFAOYSA-N 301.199 5.131 30 10 DKEE N#Cc1cc2ccccc2nc1SCc1ccc(Cl)cc1 165989576 MIHHNJQFHOLXKS-UHFFFAOYSA-N 310.809 5.052 30 10 DKEE Cc1ccc(C#N)cc1N[C@@H](C)c1cc(Cl)sc1Cl 235516562 NNLIXGCFQILFKX-VIFPVBQESA-N 311.237 5.408 30 10 DKEE Cc1cc(C)cc(N=Cc2c3ccccc3cc3ccccc23)c1 254398830 FDGHPJLKIPBPCI-UHFFFAOYSA-N 309.412 6.360 30 10 DKEE N#Cc1cccc(N=Cc2c3ccccc3cc3ccccc23)c1 257354070 VNQXUAPNDIVOGB-UHFFFAOYSA-N 306.368 5.615 30 10 DKEE CC[C@@H]1CCC[C@](C=O)(Cc2cc(Br)ccc2C)C1 317256953 FEDICLFKZBOJHV-RHSMWYFYSA-N 323.274 5.086 30 10 DKEE N#C[C@@H](Nc1ccc(Br)cc1)C1CCCCCCC1 387630767 IRAJJXUTZBNMCS-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE CCCCCCCC[C@@H](NN)c1ccsc1C(F)(F)F 394945316 UMKUFAZVYNITNW-GFCCVEGCSA-N 308.413 5.022 30 10 DKEE O=C(/C=C\c1ccccc1)c1ccc(SC(F)(F)F)cc1 642882746 GEGCBJKOMQTVJY-WDZFZDKYSA-N 308.324 5.195 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc2cscc2s1 694338527 YXGZGZJMKLORSQ-HNNXBMFYSA-N 309.544 6.364 30 10 DKEE C/C(=N\OCc1cc(Cl)ccc1F)c1ccc(C)c(C)c1 1857936138 WAEHQIYJZYIUMY-DEDYPNTBSA-N 305.780 5.037 30 10 DKEE C=CCCCCN(C)CCSc1cc(Cl)ccc1Cl 1884130505 KUJUFYYQQYYJNX-UHFFFAOYSA-N 318.313 5.374 30 10 DKEE CCCCCCCCN(Cc1ccccc1)C[C@](C)(O)CC 1915169835 LFWIOTNJOKNQAQ-HXUWFJFHSA-N 305.506 5.010 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)CCC(C)C 1917959171 DFTTVVKJHGCAHL-HXUWFJFHSA-N 303.556 6.000 30 10 DKEE CCCCCCC[C@@](C)(O)C[C@@H](C)COCc1ccccc1 1919906368 WLRUKYMJSPEAGE-UYAOXDASSA-N 306.490 5.341 30 10 DKEE C=C(COCc1ccccc1)C(=O)[C@H](c1ccccc1)[C@@H](C)CC 1922076786 ICZWWDLJPRWSFT-UWJYYQICSA-N 322.448 5.158 30 10 DKEE C=C([C@H](NCC)c1cccc(OCc2ccccc2)c1)C(C)(C)C 1947453690 OACNLIPBBSTVJU-NRFANRHFSA-N 323.480 5.519 30 10 DKEE C=CCCN(Cc1ccccc1)[C@@H]1C[C@@H](CCC)CC[C@@H]1C#N 1986882831 LFDALOCRFAMIRQ-CEWLAPEOSA-N 310.485 5.173 30 10 DKEE CON=C(CCSc1ccc(C)cc1)c1ccc(Cl)cc1 2053528133 DKJHOXMCMGMCHF-UHFFFAOYSA-N 319.857 5.181 30 10 DKEE CCCCC[C@@H](CC)Oc1cc(Br)ccc1C#N 2086286601 UEDRZIYBAMGSCX-CQSZACIVSA-N 310.235 5.058 30 10 DKEE C[C@@H](Nc1cccc(Br)c1C#N)C1(C)CCCCC1 2101376755 XJHFGXJDDIHSMX-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE C=CCC[C@@H](C)C(=O)c1ccc2cc(Br)ccc2c1 2102100618 OAIOYARXZGJMPW-GFCCVEGCSA-N 317.226 5.387 30 10 DKEE CN(CCCCCCCCCS)C[C@H]1CCC[C@H](F)C1 2152361492 VEZDVXSGHJHAFL-IRXDYDNUSA-N 303.531 5.107 30 10 DKEE C=C1CCC(N[C@@H](Cc2cccs2)c2cccs2)CC1 2157442452 GKRJMNAYTMHKAW-INIZCTEOSA-N 303.496 5.182 30 10 DKEE CCCC1CCC(C#N)(Cc2cc(Cl)cc(Cl)c2)CC1 2197920386 ZZUUPUDWYXAMRJ-UHFFFAOYSA-N 310.268 6.036 30 10 DKEE C=CC1(C[C@@H](N)c2cc(Cl)cc(C(F)(F)F)c2)CCC1 2200837352 CXTHXZOVPPWLGX-CYBMUJFWSA-N 303.755 5.105 30 10 DKEE C=CCC[C@H](C)[C@H](NC)c1cc(Cl)cc(C(F)(F)F)c1 2200838764 AFEXOCMWFMBPTR-HZMBPMFUSA-N 305.771 5.222 30 10 DKEE C#C[C@@H](N[C@H](C)c1cccc(Cl)c1Cl)C1CCCCC1 2203800976 BDMDFNKOXQNBCN-MLGOLLRUSA-N 310.268 5.226 30 10 DKEE CCCCCCCC[C@@H](N)[C@@H](O)c1cc2sccc2s1 2205544132 RAZUGLCDGHUSQR-MLGOLLRUSA-N 311.516 5.074 30 10 DKEE C=CCCCCCC[C@H](NCCC)[C@@H]1SCCS[C@@H]1C 2206897336 AYGXVJUUQILXAA-IXDOHACOSA-N 315.592 5.118 30 10 DKEE O=C(C=C1CCCCC1)c1cc(Cl)cc(Cl)c1Cl 2220109755 JRKCLXLGEBQPNX-UHFFFAOYSA-N 303.616 5.720 30 10 DKEE C=CCCCCCCCNc1c(C)cc(Cl)cc1Cl 2227277512 YZTSPTCDFBVQGT-UHFFFAOYSA-N 300.273 6.240 30 10 DKEE CC[C@@H](CC(C)C)C(=O)[C@@H](C#N)c1cccc(Cl)c1Cl 2235756382 JJQPZKCOFFWWLE-AAEUAGOBSA-N 312.240 5.242 30 10 DKEE C=CC1(C[C@H](N)c2ccc(Cl)c(C(F)(F)F)c2)CCC1 2236298236 BUCXJJZVKYVIHO-ZDUSSCGKSA-N 303.755 5.105 30 10 DKEE C=C[C@H](CC)OC[C@@H](NCCC)c1ccc(Cl)cc1Cl 2239480484 DEOILYRQAFXGPQ-CZUORRHYSA-N 316.272 5.015 30 10 DKEE C=C(C)CCCCC(=O)c1cc(Br)c(Cl)s1 2244618684 NXGQZWLHEBDLHU-UHFFFAOYSA-N 321.667 5.483 30 10 DKEE CO[C@H](CSCCCCCCCS)C1CCCCC1 2277506728 MCFWXOUZZGEAAQ-MRXNPFEDSA-N 304.565 5.195 30 10 DKEE C=CCCCCNc1ccc(C(F)(F)F)c(Br)c1 2320829645 SZMYYMTWEGQBRB-UHFFFAOYSA-N 322.168 5.236 30 10 DKEE CC(CCc1ccccc1)=NOCC(=O)c1ccc(C(C)C)cc1 2329919295 KWBJYWSXIKYROW-UHFFFAOYSA-N 323.436 5.018 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(C(C)C)cc1 2330251403 FZAZEYLXFVXXKT-UHFFFAOYSA-N 315.844 5.794 30 10 DKEE C=CCC(CC=C)Sc1ccc([C@H](C)NCC)cc1Cl 2360367861 JLDVNLBIEZVCRM-ZDUSSCGKSA-N 309.906 5.623 30 10 DKEE O=C(C#CC1CCC1)c1ccc(-c2cccc(Cl)c2)s1 2362617792 CQOGOBKGMYNAIQ-UHFFFAOYSA-N 300.810 5.055 30 10 DKEE C=CCCCCCCNCCCc1cc(Cl)cc(Cl)c1 2366869924 JXRAPHBVUWKNKE-UHFFFAOYSA-N 314.300 5.652 30 10 DKEE N#Cc1cccc(N[C@H](c2ccco2)c2ccc(Cl)s2)c1 37203248 DUMAPDWAFJEUPT-MRXNPFEDSA-N 314.797 5.068 30 10 DKEE CCCC(CS)(CCC)Cn1c(CC)nc2ccccc21 94588022 QCWGCNFQUHZDPR-UHFFFAOYSA-N 304.503 5.115 30 10 DKEE CCCC(CS)(CCC)CSc1ccc(F)cc1F 94588925 PZASRKFCWNBFIW-UHFFFAOYSA-N 304.471 5.573 30 10 DKEE CCCCCCCOc1ccc(C(=O)C2CCCCC2)cc1 106150089 LMAQPXASHNJUIO-UHFFFAOYSA-N 302.458 5.799 30 10 DKEE CCCCCCCC[C@H](O)Cc1ccc(Cl)cc1Cl 109712922 GRIZFJJILMBZMV-HNNXBMFYSA-N 303.273 5.647 30 10 DKEE C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(C#N)cc1Cl 110258436 JERZXMGGVDQBJZ-LLVKDONJSA-N 305.208 5.062 30 10 DKEE CCCCCCCCC[C@@H](CSc1ccc(C)cc1)NN 126941751 XXOORQCZPHPEFB-KRWDZBQOSA-N 308.535 5.060 30 10 DKEE CCCCCCCCn1cc(CNC)c2ccc(Cl)cc21 164004232 XAKYUIFBGFOESV-UHFFFAOYSA-N 306.881 5.375 30 10 DKEE CCCCCCCC(=O)Cc1cc(Br)ccc1F 164779495 DYBVFGBYAJRLPP-UHFFFAOYSA-N 315.226 5.060 30 10 DKEE CCCCCCC[C@@H](O)c1cccc(Br)c1Cl 168214672 SMFHIBMQJZCTPL-CYBMUJFWSA-N 319.670 5.496 30 10 DKEE CC(=O)/C(C)=C/c1ccc(-c2ccc(Br)cc2)s1 231746203 DONBSIKFOXTXSC-MDZDMXLPSA-N 321.239 5.170 30 10 DKEE CC1(C)CCC(C#N)([C@H](O)c2cc(Cl)ccc2Cl)CC1 232784609 WMFANHABNFUIEM-CQSZACIVSA-N 312.240 5.137 30 10 DKEE FC(F)(F)c1cc(N=Cc2c[nH]c3ccccc23)ccc1Cl 254793566 RHABPTIDOQCWNN-UHFFFAOYSA-N 322.717 5.591 30 10 DKEE C=CCC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 390821431 YSJPNVNKEBLCIL-OAQYLSRUSA-N 309.453 5.273 30 10 DKEE CCCCCCCC[C@H](NN)c1ccsc1C(F)(F)F 394945317 UMKUFAZVYNITNW-LBPRGKRZSA-N 308.413 5.022 30 10 DKEE N#Cc1ncc(Cl)cc1-c1ccc(Cl)c(Cl)c1Cl 1848370472 PCWVJQYYPRYJQB-UHFFFAOYSA-N 317.990 5.234 30 10 DKEE CCCCCCCCNC(=O)c1ccc2c(ccn2C(C)C)c1 1874055037 AKOXGZUHPJDWKY-UHFFFAOYSA-N 314.473 5.313 30 10 DKEE CCCCCCC[C@](C)(C(=O)O)N(CCC)Cc1ccccc1 1903770542 GNEZWIOOTACXEL-HXUWFJFHSA-N 319.489 5.102 30 10 DKEE CCCCCCCCOC(C)(C)CCNCc1ccccc1 1915765487 KKRUEOLNLUKDTG-UHFFFAOYSA-N 305.506 5.322 30 10 DKEE CCCCCCC[C@@](C)(O)Cc1cc(Cl)ccc1Cl 1919911652 BNMDFEZKGDNHKC-MRXNPFEDSA-N 303.273 5.647 30 10 DKEE CCCCCCCCC[C@@](C)(N)c1ccc(Br)o1 1920152448 IJKZZMLJYGAFBC-OAHLLOKOSA-N 316.283 5.357 30 10 DKEE C=CC1(C[C@@H](CCCOCc2ccccc2)NCCC)CCC1 1980018439 HSQCGRLFQAHWTQ-HXUWFJFHSA-N 315.501 5.098 30 10 DKEE CC[C@H]1CC=C(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 2010764521 YUBWKDDNXADABN-KRWDZBQOSA-N 320.432 5.585 30 10 DKEE CCCCCC#CCOc1cc(Cl)cc(Br)c1 2024414082 VOQMNFFSALPAKL-UHFFFAOYSA-N 315.638 5.065 30 10 DKEE C=C(C[C@H](NCC)c1cccc(Br)c1)C(C)(C)C 2050516432 XRVOGYWMDXNAPU-HNNXBMFYSA-N 310.279 5.092 30 10 DKEE CCCCCCC[C@H](O)[C@H](NCCC)c1ccsc1Cl 2147439201 WKVYIXJDTHMJOT-LSDHHAIUSA-N 317.926 5.164 30 10 DKEE C[C@@H]1C[C@](C#N)(C[C@H]2CCCC[C@H]2C(F)(F)F)CCS1 2159721872 WMMSSQOIQRHREF-SYQHCUMBSA-N 305.409 5.171 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(F)cc(C(F)(F)F)c1 2164264133 OPQUUEOSNWEBJO-ZDUSSCGKSA-N 309.734 5.028 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(F)c(F)cc1Cl 2168662067 SMLMSUWXQVBHBR-MRXNPFEDSA-N 301.808 5.405 30 10 DKEE CCCC(CS)(CCC)CN(CC(F)(F)F)C(C)(C)C 2170211714 PMVNNCCLXILCKT-UHFFFAOYSA-N 313.473 5.166 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(F)c(Cl)c(F)c1 2201606648 UZUCDLWIEMNMRL-OAHLLOKOSA-N 303.824 5.629 30 10 DKEE CCCC#CC[C@@H](NCCC)c1cc2sc(C)cc2s1 2203787187 JPPKDKKMNMRQFG-CQSZACIVSA-N 305.512 5.506 30 10 DKEE C=CCCCCCCCNC(C)(C)CN(C)Cc1ccccc1 2211144874 DBSAXWHDBJMXNG-UHFFFAOYSA-N 316.533 5.013 30 10 DKEE C=C[C@@H](CCCCC)OCc1cccc(Br)c1C 2223288538 NAIBCSYYGWZCTJ-HNNXBMFYSA-N 311.263 5.409 30 10 DKEE CCCN[C@H](C#Cc1cccc(Cl)c1)c1cscc1Cl 2239464440 RUFFNUMKLSITPB-MRXNPFEDSA-N 324.276 5.147 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H]1CC[C@H](P(C)(C)=O)C1 2240658505 TZDKIDXBECJEOE-BBWFWOEESA-N 301.455 5.259 30 10 DKEE C=C(C)CCCCC[C@H](NC)c1ccccc1Br 2259231094 DNLWDBMSYDVLBX-INIZCTEOSA-N 310.279 5.236 30 10 DKEE CCCCCCC[C@@H](O)[C@@H](N)c1cc(Cl)c(Cl)cc1C 2284845848 RYKDCMCENCLISX-CVEARBPZSA-N 318.288 5.023 30 10 DKEE O=C(C=Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1 2293038976 PCXWZSIWRKRVQC-UHFFFAOYSA-N 308.764 5.496 30 10 DKEE CCCCCCCCCOc1c(Cl)cc(CO)cc1Cl 2296301561 WCBICLUOMLCOGL-UHFFFAOYSA-N 319.272 5.615 30 10 DKEE CCCCCCC[C@H](NN)c1ccc(Cl)c(Cl)c1C 2339050415 PVYIICXBMVJWNS-AWEZNQCLSA-N 303.277 5.167 30 10 DKEE C=CCC(CC=C)OC(=O)c1sc2ccccc2c1Cl 2360215402 VJPKATGJHODPDN-UHFFFAOYSA-N 306.814 5.232 30 10 DKEE Clc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 59160374 IVKRMHGMEFHQMP-PXLXIMEGSA-N 320.823 5.381 30 10 DKEE CCCC1CCC(C#N)(Cc2cc(Cl)ccc2OC)CC1 87959751 GYZVWXGYOKGOHT-UHFFFAOYSA-N 305.849 5.391 30 10 DKEE CCCC(CS)(CCC)CO[C@@H]1C[C@@H](C)CC(C)(C)C1 94583967 FEHNMNCIXIWDOF-HZPDHXFCSA-N 300.552 5.734 30 10 DKEE CCCCCCCCN[C@H](C)c1ccc(OCCOCC)cc1 100048394 BBIINOHSUNYKQK-GOSISDBHSA-N 321.505 5.113 30 10 DKEE CCCCCCC[C@@H]1CC/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 106131038 ZRIKPMJDLRUGKA-VAFHRPCXSA-N 315.413 5.318 30 10 DKEE Cc1ccc(Cl)c(Nc2cc(Cl)ccc2C#N)c1Cl 110251267 YAATUSIZAFLHDU-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CCCCCCCCC[C@H](O)c1ncc(Cl)cc1Cl 128417274 TUJIGKWRCLMIDX-AWEZNQCLSA-N 304.261 5.563 30 10 DKEE Cc1ccc(Cl)c(Nc2ccc(C#N)c(Br)c2)c1 232244920 KOSNYHHAVNWHJI-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C=CCCCCCC(=O)c1cc(Cl)ccc1Br 236055193 PGBNHXDOHJRDLK-UHFFFAOYSA-N 315.638 5.422 30 10 DKEE C(/C=C/c1ccccc1)=NN=C(c1ccccc1)c1ccccc1 254386646 PBBXNORKHFDZPJ-BWCWTBITSA-N 310.400 5.223 30 10 DKEE CCCCCCCCCCC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 300172658 RNOPBLODNGQBIS-VYDXJSESSA-N 316.576 5.712 30 10 DKEE CCC[C@@H](CS)CN(Cc1ccccc1)Cc1ccccc1 306710696 RIAKCRAXRYALPB-HXUWFJFHSA-N 313.510 5.035 30 10 DKEE C=CCCCCCCN[C@H](CC)c1ccc(Cl)cc1Cl 380353950 GFVSVEUWMYBWCZ-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1ccc(OCc2ccccc2)cc1 384043865 NKCZYKJRIXSCST-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE CCCCCCC[C@@H](O)c1ccccc1OCc1ccccc1 390782692 UAPVJOJDGDKZNT-HXUWFJFHSA-N 312.453 5.660 30 10 DKEE C#C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 394519086 SPJCLNKCPBFBSY-YVEFUNNKSA-N 304.220 5.019 30 10 DKEE C[C@@H](CC(C)(C)C#N)Nc1cccc(OCc2ccccc2)c1 695866037 XHMNZKAGLDXGTE-INIZCTEOSA-N 308.425 5.006 30 10 DKEE C[C@@H]1CCC[C@@]1(C#N)N(C(=O)OC(C)(C)C)C1CCCCCC1 698869120 RNUGIRLRJODGBD-BEFAXECRSA-N 320.477 5.029 30 10 DKEE C=CCCCCCNc1cc(Cl)c(Br)cc1F 703817186 BXLPOHSEGRDFDX-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccc(C(F)(F)F)s1 717980805 INAHZHCJJXMIQB-AWEZNQCLSA-N 307.425 5.691 30 10 DKEE C[C@H]1CC([C@H](C#N)c2ccccc2Br)C[C@H](C)C1 719359333 BTIMPBXVSLTBKM-JMSVASOKSA-N 306.247 5.129 30 10 DKEE Cc1ccc(O)c(N=Cc2cccc(OCc3ccccc3)c2)c1 1083949404 STRZOJLXPZMWSA-UHFFFAOYSA-N 317.388 5.030 30 10 DKEE Cc1ccsc1C=Nc1ccccc1N=Cc1sccc1C 1084131356 LDRAGXWHFVUVRZ-UHFFFAOYSA-N 324.474 5.928 30 10 DKEE CC#CCCCCC[C@H](NCC)c1ccc(Br)cc1 1885237193 PRRWXWCOYYQZPX-KRWDZBQOSA-N 322.290 5.074 30 10 DKEE C#CC[C@@H](C[C@@H](NCC)c1cc(Cl)sc1Cl)C1CC1 1887488522 IFNBGLVDESAATJ-WCQYABFASA-N 316.297 5.145 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1ccc(F)cc1Cl 1892439750 WYUUWKMGBPJLJV-UHFFFAOYSA-N 303.808 5.057 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1ccc(OCc2ccccc2)cc1 1899864008 JRWYZFUJJVGZHX-DYESRHJHSA-N 309.453 5.128 30 10 DKEE CC(C)(C)C#CC=CCc1cccc(OCc2ccccc2)c1 1899866471 QLLFXHUTJNQMTC-UHFFFAOYSA-N 304.433 5.414 30 10 DKEE C=CCC(CC=C)Oc1ccc(Br)c(Cl)c1 1900997156 NBZIKLMLWFYZOB-UHFFFAOYSA-N 301.611 5.002 30 10 DKEE CCCCCCCC[C@@H](NC)c1cc(C)c(Br)o1 1917585456 WQNTXRPAJAEYSY-CYBMUJFWSA-N 316.283 5.362 30 10 DKEE C=C([C@@H](NCC)c1cc(Cl)cc(Cl)c1)[Si](C)(C)C 1922969259 VPMNSZYCKWHXFV-CQSZACIVSA-N 302.321 5.078 30 10 DKEE CCCCCCCCN1CC[C@]1(C)CCOCc1ccccc1 1991962987 VIHSJWBOPKKHGS-OAQYLSRUSA-N 317.517 5.418 30 10 DKEE CCCCCC#CCNc1ccccc1OCc1ccccc1 1994154715 DIBYMSROVPMACQ-UHFFFAOYSA-N 307.437 5.261 30 10 DKEE C=CCCCCCNc1cc(Br)c(Cl)cc1F 2003205051 PZJCQSDLAXLKDS-UHFFFAOYSA-N 320.633 5.400 30 10 DKEE C=CCN(CCOc1ccc(C(C)C)c(C)c1)Cc1ccccc1 2019209291 NPGLDZFQJYNWPN-UHFFFAOYSA-N 323.480 5.185 30 10 DKEE CCn1c(C)c(C=N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc21 2040464842 HWTLFJFPPLEFEW-WMEZAQDKSA-N 308.469 5.213 30 10 DKEE C=C(Br)CN(C)C1CCC2(CCCCCC2)CC1 2065938936 PCDJWWBTMKOZNP-UHFFFAOYSA-N 314.311 5.110 30 10 DKEE C=CCCCCCC[C@@H](O)c1ccc(F)cc1Br 2085914795 CALCWJVABBLNKL-OAHLLOKOSA-N 315.226 5.148 30 10 DKEE C=C1CC(CN[C@H](c2cccs2)c2ccc(Cl)s2)C1 2090144429 VFSMIGGSQCBLBU-OAHLLOKOSA-N 309.887 5.108 30 10 DKEE CCCCCCCC[C@H](NC)[C@@H](O)c1cc(Cl)sc1C 2154430642 BAOKTNIMXSWYDA-HOCLYGCPSA-N 317.926 5.082 30 10 DKEE CCCCCCCC(=O)c1cc(Cl)ccc1OC(F)F 2163956416 BCMVEFNFNMZQNF-UHFFFAOYSA-N 304.764 5.485 30 10 DKEE C=CCCCCCCOc1c(Cl)cc(Cl)cc1CNC 2206894391 JNISGGCACSZJLR-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE Cc1cc(Cl)cc(Oc2ccc(Br)cc2C#N)c1 2223402176 CISKVQQEVUDBIO-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCC#C[C@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2233783795 XGEWQKRNQNXKBT-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CC(C)(C)C#C[C@H](O)c1ccc(-c2ccc(Cl)cc2)s1 2233919930 BGABGLCAXGUAKS-AWEZNQCLSA-N 304.842 5.151 30 10 DKEE CCCCCCCCCOC(=O)c1ccc(Cl)nc1Cl 2239503321 QJBDJPZFOIVZGN-UHFFFAOYSA-N 318.244 5.296 30 10 DKEE CCN[C@@H](C#Cc1ccc(Cl)cc1)c1scc(C)c1Cl 2239561498 DECOJKUTVYQNBT-AWEZNQCLSA-N 324.276 5.066 30 10 DKEE CC1CC(CS)(CSc2ccc(Cl)c(Cl)c2)C1 2246842152 FAESZUHFMDIBHN-UHFFFAOYSA-N 307.311 5.432 30 10 DKEE CC#CCCC[C@@H](NC)c1cc(Br)cc(C(C)C)c1 2265944369 IPCDJLOBBSEZQY-QGZVFWFLSA-N 322.290 5.027 30 10 DKEE C=C(CNc1cc(F)cc(Br)c1C)c1ccccc1 2272377484 JBFUSENCSZLVQZ-UHFFFAOYSA-N 320.205 5.022 30 10 DKEE C=CCCCCCCCSc1csc(CNCCC)c1 2287078262 ZKDJGKITXJPPIJ-UHFFFAOYSA-N 311.560 5.866 30 10 DKEE O[C@H](C#CC1CCCCC1)c1cc(-c2cccs2)cs1 2289619410 XCWGNEDKOWGORY-OAHLLOKOSA-N 302.464 5.094 30 10 DKEE O=C(C#CC1CCCCC1)c1cc(-c2cccs2)cs1 2289678950 OJEDTAFZUBVUQU-UHFFFAOYSA-N 300.448 5.243 30 10 DKEE N[C@H](CC#CC1CCCC1)c1ccc(-c2cccs2)s1 2289925545 WAVGLEOGONTEPS-CQSZACIVSA-N 301.480 5.060 30 10 DKEE Cc1cc(C)c(C(=O)C=Cc2ccc(Cl)cc2)cc1Cl 2295967890 HGZBPUMXCSWIFY-UHFFFAOYSA-N 305.204 5.506 30 10 DKEE O=C(C=Cc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 2297630829 IMCVTNOLQOAYFA-UHFFFAOYSA-N 310.702 5.255 30 10 DKEE CC(=NOCc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 2330458565 KTFGAUKCNWGBHU-UHFFFAOYSA-N 315.416 5.603 30 10 DKEE Cc1c(COCC2(CS)CC(C)C2)ccc(Cl)c1Cl 2339472740 XTZZNMCEANUEDC-UHFFFAOYSA-N 319.297 5.165 30 10 DKEE C[C@H]1C[C@@](C#N)(CCCc2cc(Cl)cc(Cl)c2)CCO1 2366900830 RGKHTHIHEVJDCW-BLLLJJGKSA-N 312.240 5.025 30 10 DKEE C=CCc1ccccc1OCc1nc2ccccc2n1CCCC 39907120 UDLOKMSENJUIRN-UHFFFAOYSA-N 320.436 5.144 30 10 DKEE CCCCCCCNc1ccc(Br)cc1Cl 59213185 YDRDUUSFZIBALF-UHFFFAOYSA-N 304.659 5.485 30 10 DKEE Cc1c(OC(C)C)ccc(C(=O)/C=C/c2cccs2)c1C 83193553 DPVXIPCURXMOPK-VQHVLOKHSA-N 300.423 5.048 30 10 DKEE CCCCCCC[C@H](NC(=S)c1ccccc1)SC(C)C 102994063 YPALAECJEJYNQY-QGZVFWFLSA-N 323.571 5.780 30 10 DKEE Cc1ccccc1/N=C/C=C(\O)c1ccc(-c2ccccc2)cc1 106876903 NHMZOMZWLQTIAF-XRBXDRSNSA-N 313.400 5.963 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccc(F)cc1Cl 126103713 GZIAUBSBHXDIOS-QGZVFWFLSA-N 314.876 5.514 30 10 DKEE CCCCCCCC[C@@H](O)c1sccc1Br 128488656 TWINMYUVAITFEF-GFCCVEGCSA-N 305.281 5.295 30 10 DKEE CCCCCCCCCCSc1ccc(C)c(C(=O)O)c1 129748263 PRBMFIZKYBTSRD-UHFFFAOYSA-N 308.487 5.926 30 10 DKEE N#CC1([C@H](O)c2ccc(Cl)cc2Cl)CCCCCCC1 156800812 GPQUWCPPJIUUEZ-OAHLLOKOSA-N 312.240 5.281 30 10 DKEE CCC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2F)C1 222245403 JFFDGWKPCGUGMN-CPUCHLNUSA-N 305.462 5.662 30 10 DKEE N#Cc1ccc(Oc2cccc3ccccc23)cc1Br 228200401 AZGYCXJKHLGKQU-UHFFFAOYSA-N 324.177 5.266 30 10 DKEE CCCCCCCC[C@H](NC)[C@H]1CCC[C@@H](C(F)(F)F)C1 232315256 LQGPAHAZJWFCLN-XHSDSOJGSA-N 307.444 5.694 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)s1)N2 251241766 QMAYNARSSBVOMW-GQIGUUNPSA-N 323.461 5.448 30 10 DKEE Cc1cccc(N=Cc2ccc(OCc3ccccc3)cc2)c1 254815193 IHZOICNMHVEITA-UHFFFAOYSA-N 301.389 5.325 30 10 DKEE CCC[C@H](CS)CN(Cc1ccccc1)Cc1ccccc1 306710694 RIAKCRAXRYALPB-FQEVSTJZSA-N 313.510 5.035 30 10 DKEE FC(F)(F)C(Cl)=Nc1ccc(OCc2ccccc2)cc1 309637605 PBOFYVXABUFIMT-UHFFFAOYSA-N 313.706 5.097 30 10 DKEE C=CC[C@@H](CC)N[C@@H](C)c1ccc(OCc2ccccc2)cc1 393774510 DFXKODOYYXVCBN-FXAWDEMLSA-N 309.453 5.271 30 10 DKEE CCCCCCCCC[C@@H](N)c1ccc(C(F)(F)F)s1 395049691 NCBTVSHUMCDLFH-GFCCVEGCSA-N 307.425 5.907 30 10 DKEE CCC1([C@H](C#N)N(C(=O)OC(C)(C)C)C2CCCCC2)CCC1 686131828 CXYLPCJRLPSSQG-INIZCTEOSA-N 320.477 5.029 30 10 DKEE Cc1c(Cl)cc(Nc2cccc(Cl)c2C#N)cc1Cl 690248353 VPRBAMBPUBVILB-UHFFFAOYSA-N 311.599 5.571 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCCCC1)[C@](C)(C#N)C1(C)CC1 698867012 MHVMMEIYTQLMRJ-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C[C@@H](CC(C)(C)C)C[C@@]1(C#N)CCCCN1C(=O)OC(C)(C)C 709236412 PUXGEJUIISRXIS-HNAYVOBHSA-N 322.493 5.132 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(C)c(Br)o1 1917610687 REBWDSIHULIKDU-ZDUSSCGKSA-N 317.267 5.525 30 10 DKEE C=CCCCCC[C@@H](N)c1cccc(Cl)c1Br 1948979276 JWNOVDWEIOAZMM-CYBMUJFWSA-N 316.670 5.239 30 10 DKEE C=CCCN(Cc1ccccc1)c1cccc(F)c1C(F)(F)F 1986882541 JSPCTFRIZMWGQY-UHFFFAOYSA-N 323.333 5.427 30 10 DKEE CCCCCCCCCCCCN(Cc1ccccc1)C1CC1 1990849918 XJYZACQDVKNNCI-UHFFFAOYSA-N 315.545 6.572 30 10 DKEE CCCCCCCNc1ccc(Br)c(Cl)c1C 2023978880 YKKGVWLPXVAGHP-UHFFFAOYSA-N 318.686 5.793 30 10 DKEE C=CCC[C@@H](C)Oc1ccc2ccccc2c1Br 2040518890 LCFVPQOTKBGHME-GFCCVEGCSA-N 305.215 5.336 30 10 DKEE N#C[C@@]1(Cc2cc(Cl)cc(Br)c2)CCC12CCC2 2047960134 WVNPSUXPVILAHY-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@H](C)c1ccc(C2CCC2)cc1 2070172637 XYBFERXRJXPIJY-MRXNPFEDSA-N 318.464 5.399 30 10 DKEE Cc1c(Br)ccc(NCC#CC2CCCCC2)c1C 2098637743 JYUUSEZRFGUDHH-UHFFFAOYSA-N 320.274 5.062 30 10 DKEE C[C@@H](Nc1ccc(Br)cc1C#N)C1(C)CCCCC1 2101389169 JMAAQBVCIKBNOE-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE Cc1c(Br)cccc1C[C@]1(C=O)CCCCC1(C)C 2117035198 BYMLXBINMOAWDB-KRWDZBQOSA-N 323.274 5.086 30 10 DKEE CC1(C)CCC[C@](C#N)([C@H](O)c2cc3cscc3s2)C1 2168537476 ZXHCPVFBMCXYAC-ZBFHGGJFSA-N 305.468 5.106 30 10 DKEE CCCCCCCC[C@@H](C)NC[C@@H](C)COCc1ccccc1 2212662686 UJYLCUDWZCMWES-WOJBJXKFSA-N 319.533 5.568 30 10 DKEE C=C(CC)C[C@@H](NCC)c1sc(C)c(C)c1Br 2215909897 MHTGRVVQTZEBKT-GFCCVEGCSA-N 316.308 5.134 30 10 DKEE C=CC1(CN[C@H](C)c2cc(Cl)cc(Cl)c2)CCCCC1 2238005522 BQZXTUXWWWGTFL-CYBMUJFWSA-N 312.284 5.781 30 10 DKEE C=C(C)CCCCOCc1cc(Br)ccc1Cl 2252727343 MXBWYDCGRPKZKC-UHFFFAOYSA-N 317.654 5.366 30 10 DKEE N#Cc1cccc(F)c1Nc1cc(Cl)c(Cl)c(Cl)c1 2265763151 POTRAYJEVVUGKP-UHFFFAOYSA-N 315.562 5.401 30 10 DKEE C=C(Cl)COc1c(Cl)cc(CNC(C)(C)C)cc1Cl 2278776196 YWJFDPJFOJNSQD-UHFFFAOYSA-N 322.663 5.013 30 10 DKEE CC1CC(CS)(COc2ccc(Cl)c3ccccc23)C1 2280049417 HRMCLYCJTSFCDZ-UHFFFAOYSA-N 306.858 5.218 30 10 DKEE C#CC(C)(C)C[C@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286475353 VEJZKBIYVMNDEO-INIZCTEOSA-N 312.284 5.392 30 10 DKEE C=C(C)CCCC[C@@H](Cc1cc(Cl)cc(Cl)c1)NCC 2287470259 OIWFWCHBUFZQKF-KRWDZBQOSA-N 314.300 5.651 30 10 DKEE C=CCC[C@@H](C)[C@H](OCCCN)c1cc(Cl)ccc1Cl 2293141818 LUTNZTMZGQOLOQ-WBMJQRKESA-N 316.272 5.002 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1c(C)sc(C)c1Br 2304127611 HTHLKVIXUZRLNL-KGLIPLIRSA-N 317.292 5.153 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2321132697 AIJOVKFGGUNIKZ-YMTOWFKASA-N 306.664 5.510 30 10 DKEE CC(=NOCc1ccc(Cl)cc1F)c1ccc(C(C)C)cc1 2330454458 MQACQSDUOSMBHC-UHFFFAOYSA-N 319.807 5.543 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(C)c(Br)c1 2344337560 RODWHMBIBVXMNX-DLBZAZTESA-N 324.306 5.401 30 10 DKEE C=CC[C@H]1CCC[C@H]1N[C@H](C)c1cc(F)c(Cl)cc1Cl 2362208855 FOMQZKALDUCRRM-OHUAYANFSA-N 316.247 5.528 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 2362236385 PJXQQOUFGYJQGM-TVQRCGJNSA-N 315.200 5.058 30 10 DKEE CCCN[C@@H](C#C[C@H]1CC1(C)C)c1ccc(Cl)cc1Cl 2365093312 LYMXRRBHWIVAMD-LRDDRELGSA-N 310.268 5.084 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(C(F)(F)F)cc1Cl 2370502506 XZOZRMJPFLDFRM-KBPBESRZSA-N 305.771 5.351 30 10 DKEE CC[C@H]1CC[C@H](C#N)[C@H](Sc2nc3ccccc3s2)C1 37153974 OPCLBQXUGUYIPV-YWPYICTPSA-N 302.468 5.107 30 10 DKEE C=CCc1cc(C(C)(C)C)cc(C=O)c1OCCCCCC 66117748 WNAVXKIXBGRARA-UHFFFAOYSA-N 302.458 5.484 30 10 DKEE CC(C)(C)c1ccccc1/N=C1/NC2(CCCCC2)CS1 71174678 ULOVABXTEMSQBF-UHFFFAOYSA-N 302.487 5.011 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Nc2ccccc2Br)CC1 86914241 XTAXBUCSFNVRQY-XJKSGUPXSA-N 321.262 5.114 30 10 DKEE CCCCCCCC[C@@H](NN)c1cc(Cl)cc(Cl)c1 122399033 PZGJJJDKRADNLV-OAHLLOKOSA-N 303.277 5.248 30 10 DKEE CCCCCCCC[C@H](NCCC)c1cc(C)cc(Cl)c1 158960845 PZVFSJXZPYXFJZ-IBGZPJMESA-N 309.925 6.440 30 10 DKEE CC(C)c1ccc([C@@H]2Nc3ccc(C#N)cc3[C@@H]3C=CC[C@@H]32)cc1 226722017 KPGTYSGPBBTJDK-DXIQSLLYSA-N 314.432 5.508 30 10 DKEE CCCCCCCCOc1cc(Br)cc(C#N)c1 227634636 SDXGVKIUPVUSJP-UHFFFAOYSA-N 310.235 5.060 30 10 DKEE CC(C)(C#N)CCCCNc1cc(Cl)c(Cl)cc1Cl 232514407 LNARZCJLDHJCER-UHFFFAOYSA-N 319.663 5.779 30 10 DKEE O=C(C1=CCCCCCC1)c1cccc(Br)c1F 236214549 WAFGZBHSUWQHDX-UHFFFAOYSA-N 311.194 5.052 30 10 DKEE C=C1C[C@H](c2ccc3ccccc3c2)N(C(=O)OC(C)(C)C)C1 238139774 GDGUNFSFGLDEKR-GOSISDBHSA-N 309.409 5.078 30 10 DKEE CC[C@H](CC(C)C)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 308057804 SIMUAOGXGWNMJN-NEPJUHHUSA-N 312.240 5.242 30 10 DKEE CC(C)C[C@@H](C)[C@H](C#N)Sc1cccc(Br)c1 310089903 DLGCUWMAXGEWOR-RISCZKNCSA-N 312.276 5.116 30 10 DKEE CCCCCCCCC[C@@H](NC)[C@H](C)OCc1ccccc1 404514493 RSSUQOSNNMCIRN-AZUAARDMSA-N 305.506 5.320 30 10 DKEE CC/C(=N\OCc1ccccc1F)c1ccc(C(C)(C)C)cc1 821221693 XLPIICNYFHTJCO-ZBJSNUHESA-N 313.416 5.454 30 10 DKEE C=C1CCC(C[C@@](C)(O)c2ccc(C)c(Br)c2)CC1 1886404541 QRFLPKBIUOEYJR-QGZVFWFLSA-N 323.274 5.102 30 10 DKEE C=CC[C@@H](CC)N[C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 1935997142 DDNSJLRDRWLEAO-GDBMZVCRSA-N 318.461 5.039 30 10 DKEE CCC(=CC(=O)c1c(Br)ccc(Cl)c1F)CC 1949411608 UPCXVHFNINBZJW-UHFFFAOYSA-N 319.601 5.171 30 10 DKEE C=C(COCc1ccccc1)[C@@H](N)CCCCCCCCCC 1978680094 YBNIKYUIQWSNNK-NRFANRHFSA-N 317.517 5.618 30 10 DKEE C=CCCCCCCCCCCC(=O)COCc1ccccc1 1995315639 HUXWLBAIOZGROP-UHFFFAOYSA-N 316.485 5.859 30 10 DKEE CCCCCCCC[C@@H](CN)N(Cc1ccccc1)C1CCC1 1995333829 FCRYWYYOBYUUPK-NRFANRHFSA-N 316.533 5.119 30 10 DKEE CC[C@@](C#N)(Cc1cccc(Cl)c1Br)C(C)C 2012422730 YWSYGQNPTMLISC-AWEZNQCLSA-N 314.654 5.221 30 10 DKEE C=CCCCCCCNc1cc(F)c(Br)c(F)c1 2085839537 OZGGBTLWJGTRTC-UHFFFAOYSA-N 318.205 5.276 30 10 DKEE CCc1nc(Sc2cc(Cl)ccc2Cl)c(C#N)cc1C 2155473583 FZQBCDUYZCEYPB-UHFFFAOYSA-N 323.248 5.282 30 10 DKEE C#CC(C)(C)C[C@H](O)c1ccc(-c2cccc(Cl)c2)s1 2167608334 MBLPPYQNJYFZEK-AWEZNQCLSA-N 304.842 5.151 30 10 DKEE CCCCCCCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 2206802763 SVASDTJLYIZLGA-UHFFFAOYSA-N 306.755 5.902 30 10 DKEE C=CCCCCCCCNc1ccc(Br)c(C#N)c1 2227291036 NDLHLUCGFQXJKK-UHFFFAOYSA-N 321.262 5.259 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H](NC)c1cc(Cl)cs1 2290197640 NRRWICHXBNXHBU-ZBFHGGJFSA-N 317.926 5.164 30 10 DKEE C=CC[C@](C)(CC)[C@H](O)c1sc(C)c(Br)c1C 2304122287 JOYMSPNZDGTVEB-KGLIPLIRSA-N 317.292 5.153 30 10 DKEE CCC(=NOCc1ccc(Cl)cc1)c1ccc(F)c(C)c1 2330277636 JYAMWXOOAQUCBM-UHFFFAOYSA-N 305.780 5.118 30 10 DKEE Cc1c(Cl)ccc(N=C2N[C@@](C)(C(C)C)CS2)c1Cl 2340145292 CDQPEQIADXJOQF-CQSZACIVSA-N 317.285 5.040 30 10 DKEE C=CC[C@@H]1CCC[C@@H]1Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2362236425 CFWCMMGTYKSQRH-SKDRFNHKSA-N 315.200 5.058 30 10 DKEE N#Cc1cccc(OCCSc2cc(Cl)ccc2Cl)c1 34651694 ZPGKIGLYNUAMPH-UHFFFAOYSA-N 324.232 5.036 30 10 DKEE Cc1ccc([C@@H](C)Nc2ccc(C(F)(F)F)cc2C#N)s1 49185829 UDIAELLLMOPBQV-SNVBAGLBSA-N 310.344 5.120 30 10 DKEE CCCCCCCCc1noc(N)c1-c1cccc(Cl)c1 115858509 OTQWBADGPVMHFL-UHFFFAOYSA-N 306.837 5.480 30 10 DKEE CCCCCCC[C@H](COc1ccc(Cl)cc1)NCCC 139686181 ZDNQAYFYRGVHNN-QGZVFWFLSA-N 311.897 5.448 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1snnc1C(C)C 140375120 ULFLTLVVYURJBH-OAHLLOKOSA-N 311.539 5.453 30 10 DKEE CCCCCCCCCC[C@@H](NCCC)c1snnc1C 143447257 REMAABCEEDBWAF-MRXNPFEDSA-N 311.539 5.418 30 10 DKEE CCCCCCC[C@H](NCC)c1ccc(C(F)(F)F)cc1 157989661 MISATCMPPZNASD-INIZCTEOSA-N 301.396 5.717 30 10 DKEE CCCCCCC[C@@H](NCC)c1ncc(Cl)cc1Cl 159714471 ZGDHNHUGBWQVDR-CQSZACIVSA-N 303.277 5.400 30 10 DKEE Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCCC(C)C)cc1)O2 213991741 MCBLHIFYMWZACI-DEDYPNTBSA-N 322.404 5.036 30 10 DKEE Cc1ccc(Oc2cc(Br)cc(C#N)c2)c(Cl)c1 227635764 PYBYVQWPVSYJPW-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CC(C)(CCC#N)CNc1ccccc1OCc1ccccc1 390757717 XLISUCKMGHVDAU-UHFFFAOYSA-N 308.425 5.007 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@H](C#N)C1(C)CCCCC1 698875980 SIPUNERBTXIUMV-INIZCTEOSA-N 320.477 5.029 30 10 DKEE CC(C)(C)OC(=O)N(C1CCCC1)[C@@](C)(C#N)CC1CCCC1 698910489 NFWJRAOGWXQXBE-LJQANCHMSA-N 320.477 5.029 30 10 DKEE C=CC(C)(C)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1Cl 706440306 XUCVDXPGWJEKRB-JTQLQIEISA-N 320.691 5.900 30 10 DKEE Cc1ccc(/C=C/C(=O)ON=C2CCC(C(C)(C)C)CC2)cc1 1860467049 YREVIMFKNOHUMW-AZYSWTJUSA-N 313.441 5.144 30 10 DKEE C=C[C@@H](N[C@@H](C)c1cc(Cl)cc(Cl)c1F)C1CCC1 1892962340 IJJGSUZBRUXFKP-LKFCYVNXSA-N 302.220 5.138 30 10 DKEE CC(C)(C)N(Cc1ccccc1)C[C@](C)(CS)C(C)(C)C 1893556112 QFTHUWJIPFEWNK-LJQANCHMSA-N 307.547 5.269 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cscc1OCc1ccccc1 1934840174 XIMUKHYPKLJPBW-DNVCBOLYSA-N 315.482 5.190 30 10 DKEE C=C(Cl)COC(=O)CCCCCCCCCCCCC 1962727118 ZPFPAQFFOVBZCU-UHFFFAOYSA-N 302.886 5.983 30 10 DKEE C=CCCCCCC[C@]1(O)CC(C)(C)[C@@H]1OCc1ccccc1 1995169867 VTLPYTIHWGYFCD-FPOVZHCZSA-N 316.485 5.259 30 10 DKEE C=CCC[C@H](C)[C@H](O)c1cc(Cl)c(C)cc1Br 1996464252 QIKLPQKQFUJYOQ-XPTSAGLGSA-N 317.654 5.047 30 10 DKEE CCCCCCC[C@](C)(N)c1c(F)cccc1Br 2053175298 FDABFJWWDRZMFQ-HNNXBMFYSA-N 316.258 5.123 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Br)c1)C1(C)CCCCC1 2101389197 JPQANJPFOCTUAT-GFCCVEGCSA-N 321.262 5.092 30 10 DKEE O=C(C=C1CCCC1)c1ccc2cc(Br)ccc2c1 2120529997 PQWGANUJZCJMSH-UHFFFAOYSA-N 315.210 5.285 30 10 DKEE CC(C)(C)[C@@H]1CC=C(C(=O)c2cccc(Br)c2)CC1 2125212982 CDNPRBSFEPPMHN-CQSZACIVSA-N 321.258 5.404 30 10 DKEE O=C(CC#CC1CCCCC1)Cc1ccc(Cl)cc1Cl 2149859699 YRMSLOHSAOZEBH-UHFFFAOYSA-N 309.236 5.079 30 10 DKEE CC#CC[C@H](NCC)c1ccc(-c2cccc(Cl)c2)s1 2164104143 GDQSBBHHHAHBHN-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE CCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@@H]1NCCC 2172979447 DQKKDRCODBCZQP-UWVAXJGDSA-N 301.455 5.118 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(C(F)(F)F)c(Cl)c2)CC1 2181255295 VLTOPLOFTYQSID-VIFPVBQESA-N 302.723 5.288 30 10 DKEE C#CC[C@H](C)C[C@@H](O)c1ccc(-c2ccccc2Cl)s1 2196719193 LMZBGAIRFPSPHS-SWLSCSKDSA-N 304.842 5.151 30 10 DKEE C#CCCCC[C@H](NCC)c1ccc(-c2cccs2)s1 2205877067 OTNFROAFYRWZMT-AWEZNQCLSA-N 303.496 5.321 30 10 DKEE C=C(C)C[C@H](NCCC)c1sc(C)c(C)c1Br 2215903361 VFNDEJIHBZBGDU-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE CCCC(CS)(CCC)CSCC1(OC)CCCC1 2265556170 MCAGTLJDZYCPBY-UHFFFAOYSA-N 304.565 5.195 30 10 DKEE C=C(C)CCCC[C@H](NCC)c1ccc(C)cc1Br 2271792013 QZVJWBLYENNVGW-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1ccc(Cl)cc1Cl 2284097369 ZDOMJUBUPHKJBO-MRXNPFEDSA-N 310.268 5.250 30 10 DKEE C=C(C)CCCC[C@H](NCCC)[C@@H]1CS[C@@H](C)[C@H](C)S1 2287412647 FGFYQLMZCOUEAC-QAETUUGQSA-N 315.592 5.117 30 10 DKEE CCCCCCC[C@](C)(N)c1nc(C(F)(F)F)c(C)s1 2295475236 SQGWFQOZOPPZBV-ZDUSSCGKSA-N 308.413 5.005 30 10 DKEE CC(C)c1nc2ccc(Cl)cn2c1N=Nc1ccccc1C#N 2320770267 ATJMAHNTUXPAKL-UHFFFAOYSA-N 323.787 5.398 30 10 DKEE CC(C)c1ccc(C(=NOCCCc2ccccc2)C2CC2)cc1 2330303431 UGUMOKDUJAHVBD-UHFFFAOYSA-N 321.464 5.574 30 10 DKEE CCc1ccc(C(C)=NOCc2cccc3ccccc23)cc1 2330452222 NTEGDOXIHMVSTI-UHFFFAOYSA-N 303.405 5.343 30 10 DKEE Cc1cc(OC[C@@](C)(CS)C(C)(C)C)cc(C)c1Cl 2352096973 ZEPXCRGLDGMXAC-INIZCTEOSA-N 300.895 5.318 30 10 DKEE C=CCC(CC=C)Sc1ccc(C(F)(F)F)c(C=O)c1 2360316251 GFOXEMRDBIVZIE-UHFFFAOYSA-N 300.345 5.131 30 10 DKEE C=CC[C@H]1CCC[C@H]1Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2362222499 CFWCMMGTYKSQRH-JOYOIKCWSA-N 315.200 5.058 30 10 DKEE O=C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCC12CCC2 2366843815 QXVGQIYXBWQRSG-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(F)c(Cl)cc1Cl 2377323283 CNSNKMHZGVDPCA-MRXNPFEDSA-N 318.263 5.920 30 10 DKEE CCCC(CS)(CCC)COc1cccc(Cl)c1Cl 94584097 SBQCFFQUAMIACO-UHFFFAOYSA-N 321.313 5.889 30 10 DKEE CCCCCCC[C@H](C)NCc1ccccc1Br 103976551 LLICKQMMLFKYGN-AWEZNQCLSA-N 312.295 5.288 30 10 DKEE CC(C)(C)C1=C/C(=C/c2ccccc2)C(C(C)(C)C)=C(O)C1=O 106639485 PCPUFADPPJYLKZ-QINSGFPZSA-N 310.437 5.483 30 10 DKEE CCCCCCCCC(=O)N1CCC(Cc2ccccc2)CC1 109463916 YSCYCFWJACDGCS-UHFFFAOYSA-N 315.501 5.218 30 10 DKEE CCCCCCC[C@@H](Cc1nc2ccccc2s1)NCC 116000403 LJVUSTRMUQFIGQ-HNNXBMFYSA-N 304.503 5.177 30 10 DKEE CCCCCCCC[C@@H](NN)c1ccc(Cl)cc1Cl 122363259 CDUYRBAQWQKIQP-OAHLLOKOSA-N 303.277 5.248 30 10 DKEE CCCCCCCCCCCC[C@H](NN)[C@@H]1CCCCS1 130146445 WYDWTAZPUMYBBZ-ROUUACIJSA-N 314.583 5.415 30 10 DKEE CCCCCCC[C@H](NC)c1cccc(Br)c1C 158046752 ASSMKISGSZPIBV-INIZCTEOSA-N 312.295 5.379 30 10 DKEE N#C[C@@H](C(=O)CC1CCCCCC1)c1ccc(F)cc1Cl 162030571 MOOHVZAKEIDZEN-OAHLLOKOSA-N 307.796 5.016 30 10 DKEE Cc1ccc(N/N=C/c2c(Cl)ccc(Cl)c2Cl)cc1 169877699 GCFKMSUKQZGREF-QGMBQPNBSA-N 313.615 5.401 30 10 DKEE CCCCB(CCCC)/N=C(\c1ccccc1)c1ccc(C)cc1 206500075 ALOGOZROQAVVGD-ZNTNEXAZSA-N 319.301 6.424 30 10 DKEE C=C(CC)C[C@H](NCCC)c1cc(C)c(Br)c(C)c1 228393933 KRCDFZZWIUGAQM-INIZCTEOSA-N 324.306 5.463 30 10 DKEE C=CCCCCC[C@H](CSc1ccc(Cl)cc1)NCC 233602317 BSBZZYSBFAQJPD-MRXNPFEDSA-N 311.922 5.547 30 10 DKEE Cc1cccc(N[C@@H]2CCCc3sc(Cl)cc32)c1C#N 236009336 IFLMRMYLBXGWQH-CYBMUJFWSA-N 302.830 5.071 30 10 DKEE CCCCCCCC[C@@](O)(CC)c1ccc(Cl)c(Cl)c1 307873156 DGMZABWQZYLSTR-KRWDZBQOSA-N 317.300 6.342 30 10 DKEE C[C@@H](Nc1cccc(CC#N)c1)c1ccc(Cl)c(Cl)c1 313406635 FKIJELQVOIHHDM-LLVKDONJSA-N 305.208 5.233 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Nc1ccc(OCc2ccccc2)cc1 383779879 JFXIHYYWCMOAND-WIYYLYMNSA-N 320.436 5.150 30 10 DKEE CCC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C(C)C)CC1 698361399 XVJGMJRYVMQSJQ-APWZRJJASA-N 322.493 5.275 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)[C@@H](C)CCO 1915114219 GDJCXEWNIFAPRH-IBGZPJMESA-N 305.506 5.010 30 10 DKEE CCCCCCC[C@H](O)c1c(Cl)sc(Cl)c1Cl 1925573701 OULYEWYVBMFMMQ-QMMMGPOBSA-N 315.693 6.102 30 10 DKEE C=CCCCCC[C@H](N)c1sc(CC)cc1Br 1948983486 XXSVJFPUUGTFSP-ZDUSSCGKSA-N 316.308 5.209 30 10 DKEE C=C(C)C[C@H](NCC)c1cc(Cl)c(C)c(Br)c1 2002242068 JYJMTRUVCNONLL-AWEZNQCLSA-N 316.670 5.028 30 10 DKEE CCCCCCCC(=O)Cc1cccc(Br)c1C 2027193444 FIFOOWJLGQDSSD-UHFFFAOYSA-N 311.263 5.230 30 10 DKEE CCC(C#N)(CC)[C@@H](O)c1c(Cl)ccc(Cl)c1Cl 2045987585 BTXVBHZZPVJMEC-LBPRGKRZSA-N 306.620 5.010 30 10 DKEE CC(C)=C(C)C(=O)c1ccc(Br)cc1C(F)(F)F 2072418581 HOHWNBBSSLMZMI-UHFFFAOYSA-N 321.136 5.007 30 10 DKEE CCCCCCCCC[C@H](NN)c1scc(Cl)c1Cl 2096226452 PPDMDWDMYHUXKH-LBPRGKRZSA-N 323.333 5.700 30 10 DKEE N#C[C@@H](c1ccccc1Br)[C@@H]1CCC2(CCCC2)C1 2098998672 NADNVYHEXJIBKM-UKRRQHHQSA-N 318.258 5.417 30 10 DKEE CCCCCCCCC[C@@H](O)[C@H](NC)c1cscc1Cl 2148348277 XJMOEDYMFAYPBM-HZPDHXFCSA-N 317.926 5.164 30 10 DKEE C[C@](N)(CC#CC1CCCCC1)c1c(Cl)cccc1Cl 2154700171 KQEWNPCRBBKSPS-KRWDZBQOSA-N 310.268 5.141 30 10 DKEE CC#CCCCC[C@H](Cc1ccc(Cl)cc1Cl)NCC 2196169969 PPZNLTLWJXNVOO-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE C=CCCCCC[C@@H](O)c1cc(Cl)ccc1OC(F)F 2196502938 GQGPGSWDHMPTQL-CYBMUJFWSA-N 304.764 5.111 30 10 DKEE C[C@@H](CC(=O)[C@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)(C)C 2203956785 MYWNDRAAGDGCGZ-IINYFYTJSA-N 312.240 5.242 30 10 DKEE C=CCCCCCCCC[C@H](N)[C@@H](O)c1sccc1Cl 2207439989 UXJALERJWWUDSL-LSDHHAIUSA-N 315.910 5.069 30 10 DKEE CCCC#CC[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2234040155 FEJNQNRLSYOXPH-INIZCTEOSA-N 312.284 5.098 30 10 DKEE CCCC[C@@](C#N)(CC)[C@@](C)(O)c1cc(Cl)cc(Cl)c1 2237917988 ZRWWRUSHCYDYEP-JKSUJKDBSA-N 314.256 5.311 30 10 DKEE C=CCC[C@@H](C)C(=O)c1c(C)cccc1NC(=O)OC(C)(C)C 2243557538 HEXKWDVDTVZQCG-CQSZACIVSA-N 317.429 5.127 30 10 DKEE SCCCCCCCSc1ccc(Br)cc1 2245900851 KJSIBMVPKIDOAQ-UHFFFAOYSA-N 319.333 5.422 30 10 DKEE N[C@@H](C#CC1CCCCC1)c1cc(-c2cccs2)cs1 2289618523 BVUKGTZSMHBQNS-HNNXBMFYSA-N 301.480 5.060 30 10 DKEE C=C(C)CCCC[C@@H](OCCC(=O)O)c1ccsc1Cl 2291754228 PVLBHTKMAFUVOK-CYBMUJFWSA-N 316.850 5.070 30 10 DKEE CCCCCCC[C@@](C)(O)c1nc(C(F)(F)F)c(C)s1 2295484573 DPOPNSBMIFQYKQ-CYBMUJFWSA-N 309.397 5.038 30 10 DKEE CCC(=NOCc1ccc(C#N)cc1)c1ccc(C(C)C)cc1 2330251790 YRVCBNOBDYPPCO-UHFFFAOYSA-N 306.409 5.013 30 10 DKEE C=CCC(CC=C)[C@@H](NC)c1cc(-c2cccs2)cs1 2364091303 DARYXHNNPHREEL-QGZVFWFLSA-N 303.496 5.506 30 10 DKEE C=CCC(C)(C)[C@H](NC)c1ccc(Cl)cc1C(F)(F)F 2370497557 POBBHAFNCVUCJC-CYBMUJFWSA-N 305.771 5.222 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 14465879 APCUYBLPUZMKNZ-KSMMKXTCSA-N 306.796 5.038 30 10 DKEE CC(C)Sc1ccc(CCCNc2cccc(C#N)c2)cc1 76310940 LOGQTODKJHBTJY-UHFFFAOYSA-N 310.466 5.103 30 10 DKEE CCC1CCC(C#N)([C@H](O)c2cc(Cl)cc(Cl)c2)CC1 91884118 ZOSLKWKYZFFGDI-YWCUFVOSSA-N 312.240 5.137 30 10 DKEE CCC1(C(=O)[C@H](C#N)c2ccc(Cl)c(Cl)c2)CCCC1 94902796 SVPCZWZGWGCOMK-GFCCVEGCSA-N 310.224 5.140 30 10 DKEE CCCCCCCCCCC[C@@H](Cc1ccsc1)NCC 115858425 QKOJECBSBCQLBE-IBGZPJMESA-N 309.563 6.190 30 10 DKEE CCCCCCCCC[C@@H](NN)c1cccc(Cl)c1F 126536650 JEGTUOWYPRLGBQ-OAHLLOKOSA-N 300.849 5.124 30 10 DKEE CCCCCCCCCC[C@H](O)[C@H]1Cc2ccccc2S1 135559929 MGLGQNMTXRUJOD-PKOBYXMFSA-N 306.515 5.595 30 10 DKEE CCCCCCCCCCCCC(=O)CC1CCSCC1 135653553 FIYBJIIUIQJBLW-UHFFFAOYSA-N 312.563 6.400 30 10 DKEE CCCCCCCC[C@H](NC)[C@H](C)Oc1cccc(Cl)c1 140314057 AGOKIMKLAVUNSY-YJBOKZPZSA-N 311.897 5.446 30 10 DKEE CCCCCCCC[C@@H](NC)C1CCC(C(F)(F)F)CC1 140456219 FOHJFIBBAVMZLF-UYSNPLJNSA-N 307.444 5.694 30 10 DKEE N#CC1([C@@H](O)c2c(Cl)cccc2Cl)CCCCCCC1 156800950 OMXPXAMCSNVXKK-HNNXBMFYSA-N 312.240 5.281 30 10 DKEE CCCCCCC[C@@H](N)c1cccc(Br)c1Cl 158012476 MRDPTFXPJYYTKE-CYBMUJFWSA-N 318.686 5.463 30 10 DKEE CCCCCCCCCC[C@H](N)Cc1cccc(Cl)c1F 212412679 ZLSJXMYOAQDMDG-INIZCTEOSA-N 313.888 5.880 30 10 DKEE CCCc1ccccc1Nc1cc(Br)cc(C#N)c1 227611857 OPUAWDDTWJOUJC-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE CCCCCCCCOC(=O)c1c(Cl)ccc(Cl)c1N 232955751 WHMRNDBIDCJGPJ-UHFFFAOYSA-N 318.244 5.093 30 10 DKEE O=[N+]([O-])c1ccccc1C=Nc1ccc(Nc2ccccc2)cc1 252462197 QOPUYIUEEZLGKO-UHFFFAOYSA-N 317.348 5.089 30 10 DKEE CC[C@H](C)N(Cc1ccccc1)CC1(CS)CCCCC1 387446691 TVACWUVLPZYRMZ-KRWDZBQOSA-N 305.531 5.167 30 10 DKEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccc(Cl)c(F)c1 695768755 JLWCQQLFANGMKS-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCCC(=O)Nc1ccc(SC(F)F)cc1 1873440871 LZDAGCLTPCUNQJ-UHFFFAOYSA-N 315.429 5.690 30 10 DKEE C[C@H](c1cccs1)N(Cc1ccccc1)[C@@H]1CCC[C@H]1C#N 1915376855 CTICMRSCAQNXHK-BPQIPLTHSA-N 310.466 5.004 30 10 DKEE CC(C)[C@@H](CC#N)N(Cc1ccccc1)[C@H](C)c1cccs1 1915400502 RAOIZVYQYHYPOC-SJLPKXTDSA-N 312.482 5.250 30 10 DKEE C=C([C@@H](NCC)c1cc(Br)c(C)s1)C(C)(C)C 2000353029 OFQLOXCWZXTOIV-CYBMUJFWSA-N 316.308 5.072 30 10 DKEE C=CCCCCCCOc1ccc(F)cc1Br 2026017860 UEVTUVASMKVHJI-UHFFFAOYSA-N 301.199 5.104 30 10 DKEE CCN[C@H](CC#CC(C)(C)C)c1scc(Cl)c1Cl 2035097515 OACPSJHYOBKLCB-LLVKDONJSA-N 304.286 5.145 30 10 DKEE O=C(C=Cc1ccc(-c2ccccc2)o1)c1ccc(Cl)cc1 2053467652 OFSGICQBUNCWRD-UHFFFAOYSA-N 308.764 5.496 30 10 DKEE C=CCCCC[C@H](NCC)c1cc(C)cc(Br)c1 2059114466 JSUGHXLRKRBRAJ-INIZCTEOSA-N 310.279 5.155 30 10 DKEE CCC[C@@H](C(=O)[C@H](C#N)c1ccc(Cl)cc1Cl)C(C)C 2144872970 KRTMKNVLUNYKKM-TZMCWYRMSA-N 312.240 5.242 30 10 DKEE CC1(C)CCC[C@](C=O)(Cc2c(Cl)cncc2Cl)CC1 2157108657 XTCPICASSLBZPH-MRXNPFEDSA-N 314.256 5.107 30 10 DKEE Cc1sc(Cl)cc1[C@H](O)[C@]1(C#N)CCCC(C)(C)CC1 2157110874 BFAXHRSKNWDZRL-GOEBONIOSA-N 311.878 5.244 30 10 DKEE C=C([C@@H](N)c1ccc(-c2ccc(Cl)cc2)o1)[Si](C)(C)C 2163997038 GEUDUIRYVQWQBD-MRXNPFEDSA-N 305.881 5.033 30 10 DKEE C#CCCN(Cc1sc2ccccc2c1Cl)C(C)(C)C 2176161950 XCJWNILTRJIBHQ-UHFFFAOYSA-N 305.874 5.179 30 10 DKEE C[C@H](CCC(F)(F)F)N(C)CCCCCCCCCS 2177890467 RCKIFQCLDNNKNO-CQSZACIVSA-N 313.473 5.310 30 10 DKEE C=C([C@H](NCCC)c1scc2c1CCCC2)[Si](C)(C)C 2187115454 ADNDBDZSBAAXOS-INIZCTEOSA-N 307.579 5.101 30 10 DKEE CCCCCCCCC[C@@H](N)c1c(Cl)ccc(Cl)c1F 2204267889 XXHYDHYACVWTRP-CQSZACIVSA-N 320.279 6.273 30 10 DKEE CCC1CCC(C#N)([C@@H](O)c2cc3sccc3s2)CC1 2205530403 RZUWFSAIVXSTJA-AJQRCPHMSA-N 305.468 5.106 30 10 DKEE N#Cc1ccc(NCCCCCCC2CC2)cc1Br 2225790000 WPURWRJMZFXSFL-UHFFFAOYSA-N 321.262 5.093 30 10 DKEE C=CCCCCCCCSc1cccc(Br)n1 2250017079 UHLHZRNHDFFZPC-UHFFFAOYSA-N 314.292 5.463 30 10 DKEE CC(C)CC[C@@H](C)[C@H](C#N)c1ccc(Br)c(F)c1 2259001214 OBLBCBXFWAOGFA-YPMHNXCESA-N 312.226 5.268 30 10 DKEE C=CCCCSC[C@@H](NCC)c1ccc(Cl)c(Cl)c1 2271492563 BNFOVXWOBGTQGJ-OAHLLOKOSA-N 318.313 5.343 30 10 DKEE C=C(C)CCCC[C@H](Cc1ccc(Cl)c(Cl)c1)NC 2271791708 ODATYWXTPCPUOT-CQSZACIVSA-N 300.273 5.260 30 10 DKEE CCCCCCC[C@@H](NCC)c1ncc(C(C)(F)F)s1 2279199814 XQYFSYDLWCUNKA-GFCCVEGCSA-N 304.450 5.266 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1c(Cl)cccc1Cl 2287467801 QAXYFOBIBYRZKO-MRXNPFEDSA-N 314.300 6.171 30 10 DKEE Cc1cc(N[C@H](CC#N)c2ccccc2)c(Cl)cc1Cl 2294707409 QIWJKATXAKRWOR-OAHLLOKOSA-N 305.208 5.369 30 10 DKEE CN(CCCCCCCS)C[C@H]1CCCCCC1(F)F 2294770925 PRHSUUQELHAKBH-OAHLLOKOSA-N 307.494 5.014 30 10 DKEE C=C([C@H](NCC)c1sc(C(F)(F)F)cc1C)[Si](C)(C)C 2294986936 PGJTWXKNVZLSIG-LBPRGKRZSA-N 321.484 5.160 30 10 DKEE COc1ccc([C@H]2CC(O)=CC(=Nc3ccc(C)cc3)C2)cc1 2297747094 ATYVCTYUVIQIRS-MRXNPFEDSA-N 307.393 5.096 30 10 DKEE C=CCC(CC=C)n1ccc2c(OCc3ccccc3)cccc21 2301035136 UNXIIRXDFUICBC-UHFFFAOYSA-N 317.432 5.914 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1ccc(Br)cc1Cl 2304024609 MGSCNGYALYWCBV-KBPBESRZSA-N 316.670 5.095 30 10 DKEE C=CC[C@H](C)[C@@H](CCCc1cc(Cl)cc(Cl)c1)NC 2344343009 BQDPHQVWNBVDOG-BLLLJJGKSA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1cc(Cl)cc(F)c1Cl 2344379356 XNBBHNIFHRIYHU-LSDHHAIUSA-N 304.236 5.385 30 10 DKEE Cc1c(Cl)ccc([C@@H](C)C2(C=O)CCSCC2)c1Cl 2353214942 XTNAQWVSCIUSMB-LLVKDONJSA-N 317.281 5.118 30 10 DKEE COc1c(Cl)cc(C[C@@]2(C#N)CCCC23CC3)cc1Cl 2365503440 LGRFDXSXKSDLHM-MRXNPFEDSA-N 310.224 5.019 30 10 DKEE O=C[C@@]1(Cc2cc(F)c(Cl)cc2Cl)CCCC12CCC2 2377402815 IBBONTUTMNXSGX-INIZCTEOSA-N 315.215 5.215 30 10 DKEE O=C1/C(=C\c2cccc(F)c2)CCC/C1=C/c1cccc(F)c1 8553391 RANXKIYLTVWOIP-APGQMXJTSA-N 310.343 5.185 30 10 DKEE Cc1cc(Cl)ccc1Oc1ccc(C#N)c(C(F)(F)F)c1 37306477 GVEHTJXQOAIZCZ-UHFFFAOYSA-N 311.690 5.331 30 10 DKEE N#C[C@H](CCOc1ccc2ccccc2c1)c1ccccc1F 57686705 MTCLFNRDRVANIV-KRWDZBQOSA-N 305.352 5.055 30 10 DKEE CCCCCCC[C@@H](NCCC)c1ccc(OC)c(Cl)c1 59292602 CYCPPFQLSOLFIT-QGZVFWFLSA-N 311.897 5.750 30 10 DKEE CCCCCCCCc1ccc(-c2ccc(C(=N)OC)cc2)cc1 103014034 ZZTYGRCNRHRLNA-UHFFFAOYSA-N 323.480 6.228 30 10 DKEE O=C1/C(=C\c2ccccc2Br)CC[C@H]1C1CCCC1 104376382 AUZMOPKQJSJHMR-SZGZABIGSA-N 319.242 5.002 30 10 DKEE N#Cc1ccc(Sc2ccc(Br)cc2)cc1Cl 110354214 YZUGHIMIUMFQKY-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCCCc1nc2c(Cl)cccc2[nH]1 115858744 LFNGVOAABHHCRO-UHFFFAOYSA-N 306.881 6.290 30 10 DKEE CCCCCCCCCC[C@H](N)CSc1ccc(F)cc1 116705654 QBMOOTUPVHFRCE-KRWDZBQOSA-N 311.510 5.776 30 10 DKEE CCCCCCCC(=O)c1c(Cl)cc(Cl)cc1Cl 125717247 LMMKQGHUMQHEBC-UHFFFAOYSA-N 307.648 6.190 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc(F)ccc1Cl 127642257 WAFOENHIMLPRII-GOSISDBHSA-N 313.888 6.270 30 10 DKEE Cc1ccc(Sc2cc(Br)cc(C#N)c2)cc1C 227637973 OSDJGWNDXVZJDK-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1sccc1CC 229287398 GLZITNNAIHTSRY-GOSISDBHSA-N 310.547 6.655 30 10 DKEE C=CCCCCC[C@H](NCC)c1ccc(C)cc1Br 233544358 IHGMXIMYYSFSHS-KRWDZBQOSA-N 324.306 5.545 30 10 DKEE CCC[C@](C#N)(Nc1cccc(Br)c1)C1CCCC1 313482184 SCSZSFASLIOMGK-MRXNPFEDSA-N 321.262 5.114 30 10 DKEE C=C(C)C[C@H](NCCC)c1ccccc1OCc1ccccc1 390807104 LQIBLKBBQBXGFS-FQEVSTJZSA-N 309.453 5.273 30 10 DKEE C=CCCC[C@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl 398154416 FUZJZAPMNHENKZ-WDEREUQCSA-N 304.236 5.528 30 10 DKEE Cc1c(Cl)cc(N[C@@H](C)c2ccc(C#N)cc2)cc1Cl 690297952 DLIKJVVLHPEOJZ-NSHDSACASA-N 305.208 5.347 30 10 DKEE CCCCCCCC[C@H](N)c1ccsc1Br 698640277 QAQWFMSRFQSREU-LBPRGKRZSA-N 304.297 5.261 30 10 DKEE C=CCCCCC[C@H](NCCC)c1cc2cscc2s1 703714193 RCWMVNFXZJSNMQ-HNNXBMFYSA-N 307.528 6.140 30 10 DKEE CCCCCCCN[C@H](c1ccco1)c1ccc(Cl)s1 703738053 BVAXNRVNXRIZDX-MRXNPFEDSA-N 311.878 5.644 30 10 DKEE CSc1cc(CC#N)c2scc(SC(F)(F)F)c2c1 725318636 SVCPNISWEKGRRG-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCCCCCCn1c([C@@H](N)CC)nc2cc(Cl)ccc21 1857801798 WUOIGYRCRRHZMW-AWEZNQCLSA-N 307.869 5.070 30 10 DKEE CCCCCCCSc1nc(-c2ccc(OC)cc2)cs1 1860802622 NICYQYALSSFXKP-UHFFFAOYSA-N 321.511 5.881 30 10 DKEE CCCCCCC[C@@](C)(N)c1cscc1Br 1919508712 DKJSZZAKAIQNAJ-CYBMUJFWSA-N 304.297 5.045 30 10 DKEE CCC[C@H](C#N)[C@H](O)c1ccc(-c2ccccc2Cl)s1 1921046091 QVTKYUYUISJNRR-BZNIZROVSA-N 305.830 5.042 30 10 DKEE CCCC[C@](C)(C#N)Cc1cccc(Cl)c1Br 2000519130 AWAORRWDRGWMHY-AWEZNQCLSA-N 314.654 5.365 30 10 DKEE C=C(c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)cc1 2020528552 OWKAURUUZJFQBC-QFIPXVFZSA-N 316.400 5.012 30 10 DKEE CCCCCCCCC[C@H](O)c1scc(Cl)c1Cl 2035090963 BFBCLMUFSRYPSM-LBPRGKRZSA-N 309.302 6.229 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2cc(Br)ccc2C)CC1 2061195962 OYDZIYDCSXVBKE-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1ccc(Br)c(C)c1 2102112335 RTHJTMIMSIQOHA-CXAGYDPISA-N 324.306 5.401 30 10 DKEE C=CCSc1ccccc1N[C@@H](CC)CCC(F)(F)F 2144272480 LZWOOEAOCVMFJB-LBPRGKRZSA-N 303.393 5.498 30 10 DKEE C=CCC[C@@H](C)[C@H](NC)c1c(Cl)cccc1C(F)(F)F 2158326919 GIDJHXZFXPPWJX-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C=CC[C@H](C)[C@@H](NCC)c1cccc(SC(F)(F)F)c1 2164162987 XVXYVJWGPDLHLK-SMDDNHRTSA-N 303.393 5.161 30 10 DKEE C#CCCC[C@@H](NC)c1ccc(-c2cccc(Cl)c2)s1 2164165420 KJTVESUXNZKQSI-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE CCCCCCCCCCCC[C@H]1C[P@](C)(=O)CC1=O 2172987851 MEFBKDAPNFDEFX-JXFKEZNVSA-N 300.423 5.489 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1cccc(Cl)c1C(F)(F)F 2173290825 RSCUBNMOEOCFPC-ZWNOBZJWSA-N 305.771 5.222 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](C(C)(C)C)C1 2212100451 MEHLFPFXYUVUTG-HNAYVOBHSA-N 322.493 5.131 30 10 DKEE C=CCCCCCCCn1ccc2cccc(Br)c21 2227280335 BFECQFTUTIMBCD-UHFFFAOYSA-N 320.274 5.930 30 10 DKEE N#Cc1ccc(Cl)cc1SCCCCCCCC1CC1 2239340148 PPPHXTZYAASKNR-UHFFFAOYSA-N 307.890 6.054 30 10 DKEE CCCN[C@H](C#Cc1ccc(Cl)cc1)c1csc(Cl)c1 2239460422 AXGFBKRIIXCCLJ-OAHLLOKOSA-N 324.276 5.147 30 10 DKEE C=CCCC[C@@H](O)c1cc(Br)cc(C(C)(C)C)c1 2260285032 ZRJNFJNFXOKOLM-OAHLLOKOSA-N 311.263 5.136 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Br)cc(C(C)C)c1 2265946713 UIEFOCFUCCFBGJ-QGZVFWFLSA-N 324.306 5.579 30 10 DKEE CCCCCCCCCCNCc1cnc(SC)s1 2269203926 SQOQHXGNFISZOA-UHFFFAOYSA-N 300.537 5.095 30 10 DKEE C=CCCCCCCCSCc1cnc(Cl)cc1Cl 2271588593 AVFGGYGOWOIPDU-UHFFFAOYSA-N 318.313 6.148 30 10 DKEE C=C[C@H](C)CCN[C@@H](C)c1cc2cc(Br)ccc2o1 2273029613 AHASFDMCGRJZOY-RYUDHWBXSA-N 322.246 5.058 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1cc(Cl)ccc1Cl 2289855513 SRZJWDFCFKNXHZ-QGZVFWFLSA-N 310.268 5.228 30 10 DKEE CCCCCCCCC[C@H](OCCN)c1cscc1Cl 2293447249 YCKGKLCWAWZHDX-INIZCTEOSA-N 317.926 5.559 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCC)c1cc(Br)cs1 2304027688 KNCKEKKKZGPKBH-KBPBESRZSA-N 316.308 5.154 30 10 DKEE C=CCOc1ccc(C=CC(=O)c2ccc(C(C)(C)C)cc2)cc1 2324055335 VRXDOLYIFFRKRJ-UHFFFAOYSA-N 320.432 5.445 30 10 DKEE CC(=NOCc1cc(Cl)ccc1F)c1ccc(C(C)C)cc1 2330454291 GZEWAEMSNIDUBS-UHFFFAOYSA-N 319.807 5.543 30 10 DKEE C=CCC(CC=C)C(=O)c1cc2cccc(Br)c2o1 2338739751 YROPSTNKMBSDSR-UHFFFAOYSA-N 319.198 5.146 30 10 DKEE CCCC#CC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414673 KYEFTMCJCSERIN-MRXNPFEDSA-N 312.284 5.536 30 10 DKEE C=CCSc1ccccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 69381653 NWDRKEBOMYTKHT-QWHCGFSZSA-N 315.404 5.498 30 10 DKEE CCCOc1ccc(-c2nc(C(C)C)c(CS)s2)cc1 82431196 ORRXEGGIAHQQSX-UHFFFAOYSA-N 307.484 5.152 30 10 DKEE C=C1OC(=O)/C(=C\CCCCCCCCCCCCC)[C@H]1O 85966361 FCLYKYQBTSMTJB-SOBQPUOHSA-N 308.462 5.045 30 10 DKEE endogenous,in-man C=CCSc1ccccc1N[C@@H]1CCC[C@@H](C(C)C)CC1 86943998 ZTIVFGHHBXDAAC-IAGOWNOFSA-N 303.515 5.982 30 10 DKEE CCCCCCCOc1cccc(NCc2ccccc2C)c1 100038726 GUDVRKLSVADUNQ-UHFFFAOYSA-N 311.469 5.956 30 10 DKEE CCCCCCCCCC(=O)Cc1ccc(Cl)cc1Cl 109709173 PTRBLXKVFSWHMK-UHFFFAOYSA-N 315.284 6.246 30 10 DKEE CC[C@@H](C)Oc1cccc(Nc2ccc(C#N)c(Cl)c2)c1 110258109 MSFOOGQWVIYHQD-GFCCVEGCSA-N 300.789 5.133 30 10 DKEE CCCCCCCCCCCCN(Cc1ccccc1)C(C)C 114350873 GCPZBZZEZARZEE-UHFFFAOYSA-N 317.561 6.818 30 10 DKEE Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(C(C)(C)C)cc1)O2 214004889 DFQKJENPTAVSBE-XDHOZWIPSA-N 306.405 5.217 30 10 DKEE CCCc1ccccc1Nc1ccc(Br)cc1C#N 229169699 UIKJBKUHMYHPHW-UHFFFAOYSA-N 315.214 5.017 30 10 DKEE Cc1cc(Br)cc(Nc2ccc(C#N)cc2Cl)c1 232070099 GIQQGZDGYNNDBA-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE Cc1cc(C)c(N=Cc2c3ccccc3cc3ccccc23)c(C)c1 254382735 XVQJQIMQTXPCIG-UHFFFAOYSA-N 323.439 6.669 30 10 DKEE CCc1ccc(N=Cc2c3ccccc3cc3ccccc23)cc1 254697389 TWGYIZROIIASHF-UHFFFAOYSA-N 309.412 6.306 30 10 DKEE CCCC(CS)(CCC)CN1CCC[C@H](SC(C)C)C1 383090824 VTFOGNUPRRVGJS-INIZCTEOSA-N 317.608 5.109 30 10 DKEE C[C@@H](c1ccc(Br)cc1)C1(C#N)CCCCCC1 385560931 UKNQUQMZZUMYMD-ZDUSSCGKSA-N 306.247 5.417 30 10 DKEE CC(=O)/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1082519257 DDBIWQIWYRTYFY-IHWYPQMZSA-N 321.203 5.175 30 10 DKEE C=C1CC(CNc2ccc(Cl)c(Br)c2Cl)C1 1900306144 IUEFZQJEPYFXQE-UHFFFAOYSA-N 321.045 5.134 30 10 DKEE N#Cc1ccc(N(Cc2ccccc2)Cc2ccco2)c(Cl)c1 1915089624 AWRQVYHECBIDRO-UHFFFAOYSA-N 322.795 5.011 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)C1(C#N)CCCCCCCC1 1980333301 BDJGOHSPUJQDCT-UHFFFAOYSA-N 320.477 5.173 30 10 DKEE CCCCCCCCC[C@@H](O)[C@@H]1CCN(Cc2ccccc2)C1 1988153975 AQUMPQFCZFPSSC-NHCUHLMSSA-N 317.517 5.010 30 10 DKEE C=CCCCCCCCCCC(=O)CCOCc1ccccc1 1995325475 KXKQGFNHAUJOMI-UHFFFAOYSA-N 316.485 5.859 30 10 DKEE C=CCCCCCC[C@@H](O)c1cc(C)c(Br)s1 2026023887 KRAGTHQQNBGQGV-GFCCVEGCSA-N 317.292 5.379 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2038529595 CAHWLJYFGXBVHV-GFCCVEGCSA-N 306.302 5.842 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@@H](C)c1cccc(SC)c1 2070123735 PEEJPLMIYRWBKC-HNNXBMFYSA-N 324.493 5.243 30 10 DKEE CC#CCCC[C@H](Cc1ccc(Cl)cc1Cl)NCCC 2194065575 HKLDVDWGIXJJQX-MRXNPFEDSA-N 312.284 5.098 30 10 DKEE C=CCC1(n2c(S)nc3cc(C)c(Cl)cc32)CCCC1 2206597258 WFNAOGAWJUTWIG-UHFFFAOYSA-N 306.862 5.132 30 10 DKEE C=CCCCCCCCC[C@@H](NCC)c1csc(Cl)c1 2207429324 HXSPTWUFGVSESZ-MRXNPFEDSA-N 313.938 6.359 30 10 DKEE CCCCCCCCCOCc1ccsc1Br 2216953297 BWSNGSPZTUFFNS-UHFFFAOYSA-N 319.308 5.778 30 10 DKEE C=CCC[C@H](C)[C@@H](Cc1cccc(Cl)c1Cl)NCC 2227500386 HNXRKJSCVZRXPE-SWLSCSKDSA-N 300.273 5.116 30 10 DKEE Cc1cc(C)c(C)c(Oc2c(Br)cccc2C#N)c1 2269714945 KTAVFQSNHDOEJU-UHFFFAOYSA-N 316.198 5.038 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1cc(Cl)c(OC)cc1Cl 2281535181 BNTIILGEZINAHV-BDJLRTHQSA-N 316.272 5.255 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cnc(C(C)(F)F)s1 2289282970 JEHVIVMSPIILJF-GFCCVEGCSA-N 302.434 5.042 30 10 DKEE N#Cc1cc(F)c(SCC2(C(F)(F)F)CCC2)cc1Cl 2290377588 PERUGGQNCYFHFG-UHFFFAOYSA-N 323.742 5.175 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1cc(Cl)cs1 2295683075 XKDSSRNIGNGPKI-HOTGVXAUSA-N 317.926 5.293 30 10 DKEE Cc1ccc(C(=O)C=C(Nc2ccccc2)c2ccccc2)cc1 2297454558 SQVBMSBLPYNBJM-UHFFFAOYSA-N 313.400 5.331 30 10 DKEE C=CCC(CC=C)OCc1cc(Cl)ccc1Br 2298828448 KZDWXDYUGTUMJJ-UHFFFAOYSA-N 315.638 5.140 30 10 DKEE C=CCCCCCC[C@H](N)c1csc(C)c1Br 2303635582 DDLKDYSNIPGERF-ZDUSSCGKSA-N 316.308 5.345 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1sc(C)c(Br)c1C 2304046313 PDRDLHVKAVGSAL-ZIAGYGMSSA-N 316.308 5.120 30 10 DKEE CCC(=NOCc1ccccc1F)c1ccc2c(c1)CCCC2 2330251559 IPKHFMLGWXPIPN-UHFFFAOYSA-N 311.400 5.035 30 10 DKEE C=CC[C@H]1CCC[C@H]1NCc1c(Cl)ccc(Cl)c1Cl 2337079523 SDHMUNAVHRBROR-IINYFYTJSA-N 318.675 5.481 30 10 DKEE CCCCCCCCC(=O)Cc1ccc(Cl)c(Cl)c1C 2364014075 HTLPYQGZLXFULS-UHFFFAOYSA-N 315.284 6.164 30 10 DKEE COc1c(Cl)cc(C[C@]2(C#N)CCCC[C@H]2C)cc1Cl 2365736713 PEPNHCZYGSVDJC-BZNIZROVSA-N 312.240 5.265 30 10 DKEE O=C1/C(=C/C=C/c2ccccc2)CC/C1=C\C=C\c1ccccc1 1024620 QMOAOGJBIBSQOO-AWKIKHLOSA-N 312.412 5.629 30 10 DKEE C=CCOc1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21 14548838 WLVSSHGKUXNWSB-FRIZHTMISA-N 309.434 5.139 30 10 DKEE N#C[C@H]1CCCCC[C@H]1Sc1ccccc1Br 37156622 NOZMOLWZPSXNMX-DGCLKSJQSA-N 310.260 5.014 30 10 DKEE CCCCCCCCC[C@H](Cc1ccncc1Cl)NCC 123542543 KWTMFQAWXRMUGT-QGZVFWFLSA-N 310.913 5.396 30 10 DKEE C[C@H](Nc1ccc(F)cc1C#N)c1cc(Cl)ccc1Cl 126232100 HUSKENLIULBWHA-VIFPVBQESA-N 309.171 5.177 30 10 DKEE C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1cc2c(s1)CCCC2 129362916 SGNJKSOJEVKMCZ-LLVKDONJSA-N 316.857 5.325 30 10 DKEE CCCCCCCCCCNc1ncnc(Cl)c1C(C)C 129433805 WNJAGFAYVPSUQD-UHFFFAOYSA-N 311.901 5.806 30 10 DKEE CCSc1cccc(N[C@H]2CCCC[C@@H]2C(C)C)c1C#N 136689052 JJFQWYQOUYQXSM-ZBFHGGJFSA-N 302.487 5.297 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1snnc1CC 139539973 HGFQGXAHDKVGHG-MRXNPFEDSA-N 311.539 5.282 30 10 DKEE CCCCCCC[C@H](Cc1cc(Cl)ccc1Cl)NC 167064367 CJHHRHXTOCBGSS-OAHLLOKOSA-N 302.289 5.484 30 10 DKEE CCCCCCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 213415730 BMNSSMHKQGRADB-UHFFFAOYSA-N 318.244 5.388 30 10 DKEE CCCCCCCCC[C@H](N)Cc1nc(C(C)(C)C)cs1 228752049 UNBFNIPNIQNIFD-HNNXBMFYSA-N 310.551 5.451 30 10 DKEE CCCCCCC[C@@H](Cc1cccc(Cl)c1Cl)NCC 228978544 OXRJLXUCORMMSM-HNNXBMFYSA-N 316.316 5.875 30 10 DKEE CCCCCCC[C@]1(C)C[C@H](NC)c2cc(Cl)ccc2O1 229189548 WFKSLBRHCBPZGH-FUHWJXTLSA-N 309.881 5.502 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(Br)cc1Cl 229752950 SUAJKOFFGSEEKT-CQSZACIVSA-N 316.670 5.109 30 10 DKEE CC(=NO)c1cc(C)ccc1OCc1cc(Cl)ccc1Cl 252662728 POWKUCLFLDDLTL-UHFFFAOYSA-N 324.207 5.079 30 10 DKEE Cc1ccccc1N=Cc1ccccc1OCc1ccccc1 254400038 YXMHFVCRZNXCLZ-UHFFFAOYSA-N 301.389 5.325 30 10 DKEE C/C(=C/B1OC(C)(C)C(C)(C)O1)c1ccc(Cl)c(Cl)c1 306577423 LHSKZMSHGKJRKF-KTKRTIGZSA-N 313.033 5.028 30 10 DKEE CC1=CS/C(=C/C(C)=Nc2ccccc2)N1c1ccccc1 334159334 CCWZTOVNKNEEAU-GXSSPRGYSA-N 306.434 5.735 30 10 DKEE C=CCC1(Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCCC1 690714229 RMNRTBYKGMTUPF-UHFFFAOYSA-N 315.200 5.202 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@H](C(C)C)CC1 698968044 XQYKKDNKDHXJKS-QFBILLFUSA-N 322.493 5.132 30 10 DKEE CCCCCCCN[C@@H]1CCc2sc(Br)cc21 703756546 MZYQCMDYBUXKRJ-GFCCVEGCSA-N 316.308 5.058 30 10 DKEE CC[C@@H]1CCC[C@](C#N)(N(C(=O)OC(C)(C)C)C2CCC2)CC1 712343833 HINCAJCUOSUARD-BEFAXECRSA-N 320.477 5.029 30 10 DKEE CCCCCCCCNC(=O)CCc1ccc(C(C)C)cc1 1859575278 RYAKIFIBXXTCOZ-UHFFFAOYSA-N 303.490 5.219 30 10 DKEE CCCCCCCCN(C)Cc1cccc(Cl)c1Cl 1887073952 MMUOPZVSGQWLBN-UHFFFAOYSA-N 302.289 5.786 30 10 DKEE CCCCCCCC[C@@H](O)c1cc(-c2cccs2)cs1 1920048702 NDKYBERIXSLHGM-OAHLLOKOSA-N 308.512 6.261 30 10 DKEE C=CC1(CC(=O)c2c(Cl)cccc2Br)CCC1 2002616146 LKAYZFCOYHMYQE-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE CCCC[C@@](C#N)(CC)CCOc1cccc(Br)c1 2108206745 OCIQILVTCNRTAT-INIZCTEOSA-N 324.262 5.328 30 10 DKEE N#CC1(Nc2ccc(Br)cc2)CCCCCCCC1 2112438566 WWBNADPKQXUMON-UHFFFAOYSA-N 321.262 5.258 30 10 DKEE CCC(CC)(CC)COCc1ccc(Br)cc1C#N 2125837113 QAARLQVOZNNQGV-UHFFFAOYSA-N 324.262 5.054 30 10 DKEE CCCCCCCC[C@H](NCC)[C@H](O)c1ccc(Cl)s1 2148581191 DDCYBOKGPXMRIE-BBRMVZONSA-N 317.926 5.164 30 10 DKEE CCCCCCCCC[C@@H](O)c1cc(C(F)(F)F)ns1 2155011156 QIKBWOSHSFBZGF-LLVKDONJSA-N 309.397 5.336 30 10 DKEE CCC[C@@H](N=C1N[C@H](c2cccs2)CS1)c1cccs1 2175635463 BLNAYVUFJJTLFL-NEPJUHHUSA-N 322.524 5.085 30 10 DKEE C=CCCCC[C@@H](NCCC)c1cc(Cl)cc(F)c1F 2179675906 AZBXNXDYWBQQNT-OAHLLOKOSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCC[C@H](N)C1CC(OCc2ccccc2)C1 2211142712 FDQGZQLQCMOZPO-CBNMVNINSA-N 315.501 5.226 30 10 DKEE N#Cc1ccc(Cl)cc1SC12CC3CC(CC(C3)C1)C2 2238173553 IQOWSHNXMJLXHK-UHFFFAOYSA-N 303.858 5.273 30 10 DKEE C=C(CC)C[C@H](NCC)c1sc(Cl)cc1Br 2244969539 ULZNUTHNVAEIRJ-JTQLQIEISA-N 322.699 5.171 30 10 DKEE CC(C)c1cc(Br)cc(-c2cccc(F)c2C#N)c1 2266066909 SSYWFRMSUCMUDK-UHFFFAOYSA-N 318.189 5.250 30 10 DKEE CC[C@H]1CCC[C@@H](Nc2c(Br)cccc2C#N)CC1 2269699374 HMZRKLBNRGMKMD-GXTWGEPZSA-N 321.262 5.092 30 10 DKEE C=C([C@@H](OCCCN)c1cc(Cl)c(Cl)s1)C(C)(C)C 2277152368 GNGSFNMTDYUDPH-GFCCVEGCSA-N 322.301 5.064 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1c(Cl)cccc1Cl 2289884349 XALHIRYWOMIWDJ-MRXNPFEDSA-N 310.268 5.228 30 10 DKEE CCCCCCC[C@H](OCCN)c1csc(C(F)F)c1 2294308842 OLFPYUQUIMALRW-ZDUSSCGKSA-N 305.434 5.063 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1ccc(Br)cc1Cl 2304078789 NVXOSEFQCZLCFP-AWEZNQCLSA-N 315.638 5.278 30 10 DKEE CC(C)[C@@H](CC#N)C(=O)c1c(Cl)ccc(Cl)c1Cl 2317075060 YTRAEYSZEWFGEU-MRVPVSSYSA-N 304.604 5.015 30 10 DKEE C=CC[C@H](C)[C@@H](NC)c1c(C)c(C)c(Br)c(C)c1C 2347955272 KEKZXFNNXVQZJA-DYZYQPBXSA-N 324.306 5.155 30 10 DKEE CCCCCCCCC[C@@](C)(SCCSC)C(=O)O 2351908154 ABTLXSQJIDEYHC-OAHLLOKOSA-N 306.537 5.067 30 10 DKEE C=CCC(CC=C)Sc1cc(C(F)(F)F)ccc1C=O 2360310782 CRZIFEUTLLECFN-UHFFFAOYSA-N 300.345 5.131 30 10 DKEE C#CCCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1C 2364414189 HICABFCPHQWMTJ-MRXNPFEDSA-N 312.284 5.536 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](O)c1ccc(Cl)c(C(F)(F)F)c1 2370605085 XWOOHNQCRHORGD-UONOGXRCSA-N 306.755 5.385 30 10 DKEE Cc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3Cl)o2)cc1 33921937 TUSDCXHQOFWFGZ-BENRWUELSA-N 322.791 5.805 30 10 DKEE CCC1CCC(C#N)(Cc2ccc(Br)cc2F)CC1 87933683 PCTVSSULSZKYIS-UHFFFAOYSA-N 324.237 5.241 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cccc(Br)c2)C1 87972804 RNEHCXNLDAJKNB-CJNGLKHVSA-N 306.247 5.102 30 10 DKEE O=C(/C=C/c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 98023525 FRZGICYPYKQDNZ-RMKNXTFCSA-N 310.702 5.255 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(OCCC(C)C)cc1 100048385 AIIMAPVHWSEYEG-IBGZPJMESA-N 319.533 6.123 30 10 DKEE C=CCn1c(-c2ccccc2)cs/c1=N/c1cccc(C)c1C 103370354 NTZXLOSIIIFMFO-QZQOTICOSA-N 320.461 5.252 30 10 DKEE CCCCCCCC[C@@H](NC)c1cccc(Br)c1 109723460 ZSJRKQFJIVIHGK-MRXNPFEDSA-N 312.295 5.460 30 10 DKEE CCCCCCCCC[C@H](NCC)c1ccc(Cl)s1 115062824 VOMTXMOGLIJNKT-AWEZNQCLSA-N 301.927 6.193 30 10 DKEE CC(C)c1ccc(Oc2cc(Br)ccc2C#N)cc1 123456836 FAWWYKWNZQNVPV-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Cl)c2ccccc12 127318765 RSZPVTXTSSHFPR-LJQANCHMSA-N 304.861 6.277 30 10 DKEE Cc1cc(Oc2cc(Cl)c(Cl)cc2Cl)ccc1C#N 133489908 DMAHXQBUIGISJC-UHFFFAOYSA-N 312.583 5.619 30 10 DKEE CC[C@@H]1CC[C@H](C#N)[C@H](N(C)[C@H](C)c2ccccc2Cl)C1 251742444 TZIFBTVBYPDXKV-ATNYBXOESA-N 304.865 5.051 30 10 DKEE C=C1[C@@H](/C=C/c2ccoc2)[C@]2(C)CCCC(C)(C)[C@H]2C[C@H]1O 257530880 RHCBUXSXDFNUAG-OAQBYGLYSA-N 300.442 5.062 30 10 DKEE biogenic Cc1ccc(C#N)c(Oc2ccc(OCc3ccccc3)cc2)c1 309868166 MHANQSOCKDDCFD-UHFFFAOYSA-N 315.372 5.238 30 10 DKEE CCC(C)(C)C1CCC(/N=C(/O)C[C@@H]2CCCCN=C2O)CC1 328789221 PVXXRUICSFOCMC-FHERZECASA-N 322.493 5.085 30 10 DKEE N#Cc1cccc(-c2ccc(Cl)c(Cl)c2Cl)c1Cl 514260843 KNWORGHVSWWSOH-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C1CCC(C)(C)CC1 698376694 MDPGCFHNLUUAAH-GDBMZVCRSA-N 322.493 5.131 30 10 DKEE CC[C@H]1CCCCC[C@]1(C#N)N(CC(C)C)C(=O)OC(C)(C)C 698855216 CMYFMNSHZSTEDW-QFBILLFUSA-N 322.493 5.132 30 10 DKEE C=CC[C@@H](C)[C@@H](NCC)c1cccc(OCc2ccccc2)c1 715719794 LGKOTZCWFDEDNE-DYESRHJHSA-N 309.453 5.128 30 10 DKEE CC(C)(C)c1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1 725390045 FUVPPMIGTSNTKX-UHFFFAOYSA-N 303.232 5.691 30 10 DKEE Cc1ccc(/N=C2\S[CH][C@@H](c3ccccc3)N2C(C)(C)C)cc1 1614595871 WKDBGBHBAIPPBL-GRNWLOBZSA-N 323.485 5.733 30 10 DKEE CC1(C)[C@H]2CC[C@]1(C)C(=NC(=O)c1ccc(Cl)cc1Cl)C2 1772718661 ULBSAGUHLPYFKF-DYZYQPBXSA-N 324.251 5.421 30 10 DKEE Fc1cc(C(F)(F)F)ccc1-c1cccc(OC(F)(F)F)c1 1848363634 HTZMMCCXWOVLFY-UHFFFAOYSA-N 324.195 5.410 30 10 DKEE C[C@](O)(c1ccc(Cl)cc1Cl)C1(C#N)CCCCCC1 1921086754 NRBULUQDIDTBDT-HNNXBMFYSA-N 312.240 5.065 30 10 DKEE CCC(=CC(=O)c1c(C)sc(C)c1Br)CC 1935685028 GNRRUCYJDPGHQW-UHFFFAOYSA-N 301.249 5.057 30 10 DKEE C=C(CC)C[C@H](NCC)c1c(Br)sc(C)c1C 1951107064 DUOQXTRWRUVOOH-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=CCN(CCC12CC3CC(CC(C3)C1)C2)Cc1ccccc1 1990851770 VZRZNWMSFSTRIM-UHFFFAOYSA-N 309.497 5.281 30 10 DKEE C=CCC[C@@H](C)Nc1cc(Br)c(Cl)cc1C 1993937298 XSVADSLXTCRNTJ-SNVBAGLBSA-N 302.643 5.178 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1csc(Br)c1 1996468909 FSHAUJVAYRUCQF-SMDDNHRTSA-N 316.308 5.154 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1sc(C)cc1Br 2000448783 SJRBLMBBZCVHPS-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE CCCC[C@](C)(C=O)Cc1ccc(Cl)cc1Br 2000515067 YLSUTMQPCUAGDC-AWEZNQCLSA-N 317.654 5.040 30 10 DKEE C=C(c1ccccc1)[C@H](O)c1cccc(OCc2ccccc2)c1 2020527857 FJCAJVJGLWLNGK-QFIPXVFZSA-N 316.400 5.012 30 10 DKEE CCCCCCCCOCc1cccc(C)c1Br 2027598341 LCKXCPRDYRDFPG-UHFFFAOYSA-N 313.279 5.635 30 10 DKEE C=CCOc1ccc(C=Cc2nc3ccccc3s2)cc1OC 2040457921 RJKPFERSPHPOIZ-UHFFFAOYSA-N 323.417 5.040 30 10 DKEE CCCCCCCCCN(C)Cc1cc(Br)co1 2050727981 KHRWAUUASFQNHQ-UHFFFAOYSA-N 316.283 5.225 30 10 DKEE C=C([C@@H](NCCC)c1cc(Br)ccc1C)C(C)(C)C 2096622482 VYQJBPBFRWSBGY-MRXNPFEDSA-N 324.306 5.401 30 10 DKEE CCC(C)(C)c1c(C#N)oc2c(Cl)cc(Cl)c(Cl)c12 2137729816 ZWUQJEUBGWILMX-UHFFFAOYSA-N 316.615 5.952 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2c(Cl)cccc2Cl)CC1 2157102555 ZTSGRTYDRQXVMV-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1csc(C(F)(F)F)c1 2158324260 OMYIOSHFCDGZHP-FZMZJTMJSA-N 305.409 5.410 30 10 DKEE CC1(C)CCCC[C@@]1(C#N)[C@H](O)c1cc(Cl)ccc1Cl 2173629149 LRUYTMWHDIRAST-GDBMZVCRSA-N 312.240 5.137 30 10 DKEE C=CC1(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)CCCC1 2189519847 ZTFJYBNWRIHRPY-NSHDSACASA-N 316.247 5.530 30 10 DKEE C=CCCCCCC[C@@H](Cc1ccc(Cl)cc1Cl)NC 2206901158 ZUKZGGPNCNYDLB-INIZCTEOSA-N 314.300 5.651 30 10 DKEE C=CCCCCCCCNc1cccc(Br)c1C 2220090140 BFHGHGYCBQHZHF-UHFFFAOYSA-N 310.279 5.696 30 10 DKEE CCCCCCCC[C@@H](C)Nc1cc(F)c(F)cc1Cl 2240658281 QPIMGLKNQQFNMH-GFCCVEGCSA-N 303.824 6.169 30 10 DKEE Cc1sc(C)c(CC=CC#CC(C)(C)C)c1Br 2248460940 OPINUAGFGKYRGM-UHFFFAOYSA-N 311.288 5.276 30 10 DKEE C=CCCCCCCCSc1c(N)ccc(Cl)c1Cl 2271582519 QLAIRBLMEGWWSI-UHFFFAOYSA-N 318.313 6.194 30 10 DKEE CCN[C@H](CC#CC1CCCC1)c1cc(Cl)c(Cl)s1 2274121222 INGWEHUILYSNLA-CYBMUJFWSA-N 316.297 5.289 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)C[C@@H]1CC[C@H](C)C1 2284000358 QKILHOPNBMWHKA-QKLQHJQFSA-N 301.540 5.610 30 10 DKEE C=C(C)CCCC[C@@H](O)c1cc(Cl)ccc1OC(F)F 2287465444 KOCPUIRIQWRJSF-CYBMUJFWSA-N 304.764 5.111 30 10 DKEE CCCCCCCCC[C@H](C)Nc1c(Cl)cccc1Cl 2295672172 ZTTAJZKJNSXDDL-AWEZNQCLSA-N 316.316 6.935 30 10 DKEE Cc1ccc(C=C2CCCC(=Cc3ccc(Cl)cc3)C2=O)cc1 2297219732 QOKNXIAPRMGJDX-UHFFFAOYSA-N 322.835 5.868 30 10 DKEE C=CCCCCCCCCOCC(Br)=C(C)C 2301867774 VBGURDXNJPFUSQ-UHFFFAOYSA-N 303.284 5.609 30 10 DKEE CCCCCCC[C@H](NC)c1c(Cl)sc(Cl)c1C 2314531032 QLPKIJWPPSLHCZ-NSHDSACASA-N 308.318 5.984 30 10 DKEE CCCCCC#CCNc1ccc(C)c(C)c1Br 2315019641 RQPFKCOJMNECFC-UHFFFAOYSA-N 308.263 5.062 30 10 DKEE C=CCC(CC=C)Sc1ccc(Cl)cc1CNCCC 2360373197 WVNMHUBGNNCHLL-UHFFFAOYSA-N 309.906 5.453 30 10 DKEE Cc1c(C[C@]2(C#N)CCCCC23CC3)ccc(Cl)c1Cl 2364218395 HLGTUDWOERONIC-KRWDZBQOSA-N 308.252 5.709 30 10 DKEE C=CCCCCCC[C@H](NN)c1ccc(Cl)c(Cl)c1C 2364548368 OSCABPZYFAFUHF-HNNXBMFYSA-N 315.288 5.333 30 10 DKEE Clc1ccc(/C=N/c2ccc3ncccc3c2)c(Cl)c1 3173832 FNJBEKVORQNVRA-KEBDBYFISA-N 301.176 5.292 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2ccccc2Cl)C1 37154776 KERRRZFZGVVLSS-XJKCOSOUSA-N 307.890 5.787 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 37936037 YPOASZIYSCCKPT-CQSZACIVSA-N 311.599 5.324 30 10 DKEE C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21 96776018 SVEAMDHEOPUFQT-UHFFFAOYSA-N 304.437 5.577 30 10 DKEE CCCCCCCCCCSc1nc2cc(N)ccc2o1 109966882 MPYGTACVDUUBIO-UHFFFAOYSA-N 306.475 5.643 30 10 DKEE CCCCCCCCCCOc1ccc(CC(N)=S)cc1 110271129 DYNGPJUFBRNGSN-UHFFFAOYSA-N 307.503 5.035 30 10 DKEE CCCCCCCCCCNc1ccc(C(F)(F)F)cc1 113009153 ZSLHLHQRAOYVGJ-UHFFFAOYSA-N 301.396 6.258 30 10 DKEE CCCCCCCCC[C@H](O)c1ncccc1Br 140103137 IXNQQTPTKJMICO-AWEZNQCLSA-N 314.267 5.018 30 10 DKEE CCCCCCCC[C@@H](O)c1ccc(Br)c(F)c1 161548061 BQJAPNHQWWHGEY-OAHLLOKOSA-N 317.242 5.372 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1cc(C)c(Cl)s1 226674630 MTEVLGIAHJUZFU-OAHLLOKOSA-N 315.954 6.501 30 10 DKEE CCCCCCCCC(=O)Cc1cc(Cl)cc2c1OCC2 229472861 XRKOZPYTRCDTTF-UHFFFAOYSA-N 308.849 5.137 30 10 DKEE N#C[C@H](Nc1cccc(Cl)c1)c1cc(Cl)sc1Cl 312580468 LIQUNAUGXWEMPU-JTQLQIEISA-N 317.628 5.385 30 10 DKEE CCCCCCC[C@@H](C)Nc1cccc(SC(F)F)c1 690228175 GOBRUHHDLBSTHQ-CYBMUJFWSA-N 301.446 6.162 30 10 DKEE CCCCCCCOc1cc(Cl)cc(Br)c1 698003815 VSHZROSHWMJTMW-UHFFFAOYSA-N 305.643 5.452 30 10 DKEE CC[C@@H]1CCC[C@H]([C@H](C#N)N(C(=O)OC(C)(C)C)[C@H](C)CC)C1 698403851 AMFZBMQZRFJFBY-NCOADZHNSA-N 322.493 5.131 30 10 DKEE Cc1ccc(/C(=N/OCc2ccc(C(C)(C)C)cc2)C2CC2)cc1 821226510 GFAWKOHKRBUGGS-LNVKXUELSA-N 321.464 5.623 30 10 DKEE CCC(C)=NNc1nc2c(Cl)ccc(C(F)(F)F)c2s1 1081369812 DHAAYZNGTMFWEI-UHFFFAOYSA-N 321.755 5.166 30 10 DKEE C=CCCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1860144206 NGZLRLZCDUCXRF-UHFFFAOYSA-N 323.436 5.191 30 10 DKEE CCCCCCCCC(=O)NCc1ccccc1OC(C)(C)C 1866090191 NDNPIGDSFGJARJ-UHFFFAOYSA-N 319.489 5.231 30 10 DKEE CCCCCCCCCCCC[S@@](=N)(=O)C[C@H](C)CC 1917972218 CTMBEYORBAOTAP-YLJYHZDGSA-N 303.556 6.000 30 10 DKEE C#C[C@H](C)c1cc(Cl)c(NC(=O)OC(C)(C)C)c(Cl)c1 1951830546 RMRCUCKCYQOQDF-VIFPVBQESA-N 314.212 5.077 30 10 DKEE C[C@H](COCc1ccccc1)C[C@]1(C#N)CCCCC12CCC2 1981841736 UXELHPMXGOVEKM-RXVVDRJESA-N 311.469 5.484 30 10 DKEE C=C([C@@H](N)c1c(Cl)ccc(Cl)c1Cl)[Si](C)(C)C 2000266122 FVMGEXSBTKQGTR-GFCCVEGCSA-N 308.712 5.080 30 10 DKEE C[C@@H]1CC=C(C(=O)c2cc(Cl)ccc2Br)CC1 2010607477 AJRZVDWUYLDFEB-SECBINFHSA-N 313.622 5.032 30 10 DKEE C=CCCCCCCSc1cc(Br)ccc1N 2026018740 CZSIKKQONCDQCD-UHFFFAOYSA-N 314.292 5.260 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](C)c1cc(C)c(C)cc1C 2070165712 URWWMMDNEGPGKX-KRWDZBQOSA-N 306.453 5.057 30 10 DKEE CCCCCCCCCC(=O)[C@@H](O)c1csc(Cl)c1 2098180893 YHTHXWGHGUGCOV-HNNXBMFYSA-N 302.867 5.145 30 10 DKEE C=CCCC[C@@H](N)c1ccc(-c2ccc(Br)cc2)o1 2107770649 LEDWEPDXRZYODW-CQSZACIVSA-N 320.230 5.065 30 10 DKEE CCCCCCCCCCCC[C@@](C)(O)[C@H]1CCSC1 2146147465 QYSDLZRXVDNXCT-ZWKOTPCHSA-N 300.552 5.802 30 10 DKEE C=C1CCC(COc2ccc(Cl)c([N+](=O)[O-])c2Cl)CC1 2154627915 XHQXGRYRNOSECK-UHFFFAOYSA-N 316.184 5.027 30 10 DKEE CCN[C@H](CC#CC1CCCCC1)c1cc(Cl)sc1C 2164176290 DUYIIJDRRPXWMN-MRXNPFEDSA-N 309.906 5.334 30 10 DKEE O=C[C@]1(Cc2cccc(Cl)c2Cl)CCCCC12CCC2 2173675700 IPETYFCKQVUDLA-QGZVFWFLSA-N 311.252 5.466 30 10 DKEE CCCCCCCCCCC[C@@H](NN)c1cscc1F 2181869851 JGCCTNUTAYWUHV-MRXNPFEDSA-N 300.487 5.313 30 10 DKEE C#CC[C@H](C)CC(=O)c1ccc(-c2ccccc2Cl)s1 2196823756 SFIFALPBRPLYGF-LBPRGKRZSA-N 302.826 5.301 30 10 DKEE C=CCCC[C@H](NCC)c1ccc(Cl)c(C(F)(F)F)c1 2206802990 TYTWVEUUFYNGHD-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)CC1CCCC1 2211146788 SUSVNZZNTVUETL-UHFFFAOYSA-N 313.529 6.205 30 10 DKEE C=C[C@H](C)C[C@H](NCC)c1cc(Cl)cc(Cl)c1Cl 2220121609 PDILNZNERNGUQH-ZANVPECISA-N 306.664 5.510 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccc(Br)nc1 2223867871 LHVVSJGBANGQOV-CYBMUJFWSA-N 313.283 5.395 30 10 DKEE C=CCCC[C@@H](C)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 2225906496 CAOOHAGFGUUAKB-SECBINFHSA-N 303.189 5.058 30 10 DKEE CCCCCCCCCCCCOc1nc(Cl)cs1 2231088331 NPGXBYQRTTVRKL-UHFFFAOYSA-N 303.899 6.096 30 10 DKEE CCCCCCCC[C@@H](C)NCc1c(Cl)cccc1Cl 2240639860 JVSGIDSRYXISPB-CQSZACIVSA-N 316.316 6.222 30 10 DKEE CCCC[C@@H](CC)CSCC1(CS)CCCCCC1 2278373224 NPKVYTJTISGGFH-MRXNPFEDSA-N 302.593 6.206 30 10 DKEE C=C(C)CCCC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2287414362 PQCLNRPHHCECNF-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C=C(C)CCCC[C@@H](OCCCN)c1cc(C)c(Cl)s1 2292779390 OEDPUZRNYIMRFD-CQSZACIVSA-N 315.910 5.253 30 10 DKEE C=C[C@@H](C)C[C@H](NCCC)c1ccc(OCc2ccccc2)cc1 2299507723 MFQJYFACSZRJBX-GCJKJVERSA-N 323.480 5.519 30 10 DKEE C=CCC(CC=C)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl 2335113985 MHECYZRSXXZLGK-SNVBAGLBSA-N 318.675 5.818 30 10 DKEE C=CC[C@H](CNC(C)(C)C)Cc1ccc(Cl)c(Cl)c1C 2364221097 WDBZSFVUCFXGMF-ZDUSSCGKSA-N 314.300 5.425 30 10 DKEE CC12CC3(C)CC(C)(C1)CC(C/N=C/c1ccc(O)cc1)(C2)C3 3897587 VJBZUJMOPICFBP-GZIVZEMBSA-N 311.469 5.198 30 10 DKEE COc1cccc(/C=C/C(=O)c2c(C)ccc3ccccc23)c1 83204364 LCLSSZRFEBQVPH-ACCUITESSA-N 302.373 5.053 30 10 DKEE CCCCCCCCC[C@@H](Cc1cccc(F)c1Cl)NC 122272458 FMCGBIGBFHOPQC-INIZCTEOSA-N 313.888 5.750 30 10 DKEE CCCCCCCC[C@H](NC)c1ccc(Br)o1 124981673 IJAKICDHFZNMKS-LBPRGKRZSA-N 302.256 5.053 30 10 DKEE CCCCCCCCCCCCCCCCc1ccnc(N)c1 137413180 DKBRHKKHIUUZHA-UHFFFAOYSA-N 318.549 6.688 30 10 DKEE CCCCCCCCC[C@@H]1C[C@@H]1C[C@H]1C[C@H]1CCCC(=O)OC 263588976 BEUIOIYFOPNKNN-UAFMIMERSA-N 322.533 6.133 30 10 DKEE CCCCCCCCCCCCSc1n[nH]c(=NC)s1 385159183 ARJBUDYTHQOFJA-UHFFFAOYSA-N 315.552 5.015 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(C(F)(F)F)ccc1Cl 695034387 GKARBKOFPREKMJ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE CCCCCCCCOC[C@H](N)c1cccc(Cl)c1Cl 708910503 QDPJKPGCGMCGSZ-HNNXBMFYSA-N 318.288 5.370 30 10 DKEE CC(C)C(C)(C)CSc1cccc(Br)c1C#N 718791018 PFMNDUVJGRMGFX-UHFFFAOYSA-N 312.276 5.095 30 10 DKEE Cc1ccc(/N=C2\S[CH][C@H](c3ccccc3)N2C(C)(C)C)cc1 1614595874 WKDBGBHBAIPPBL-IDYLYPCZSA-N 323.485 5.733 30 10 DKEE C=C(C)Cn1c(C23CC4CC(CC(C4)C2)C3)nc2ccccc21 1873515078 FNGMUYQHFBVICT-UHFFFAOYSA-N 306.453 5.080 30 10 DKEE CCCCCCCCCCNC(=O)c1ccc2ncsc2c1 1874094773 VQLFUCZBPKAZPC-UHFFFAOYSA-N 318.486 5.167 30 10 DKEE CCCCC[C@@H](CC)N(C)c1ccc(Br)cc1C#N 1879294663 LHADWCBLJCAOHX-OAHLLOKOSA-N 323.278 5.116 30 10 DKEE O=C(C=Cc1cccc(OCc2ccccc2)c1)c1cccs1 1911914485 BVGLVMOUWYXZCW-UHFFFAOYSA-N 320.413 5.223 30 10 DKEE C[C@@H]1CCC[C@]1(C#N)[C@H](O)c1c(Cl)ccc(Cl)c1Cl 1921094415 LUIWGCMDMHDPAK-GFWSLJDESA-N 318.631 5.010 30 10 DKEE CCCCCCCC[C@@]1(O)CC(C)(C)[C@H]1OCc1ccccc1 1939580688 XMJPOROLNUOCCA-TZIWHRDSSA-N 318.501 5.483 30 10 DKEE C=CCCCCN[C@H]1CCC(C)(C)C[C@@H]1OCc1ccccc1 1977490889 PYMRGRKVWVCLSJ-PMACEKPBSA-N 315.501 5.096 30 10 DKEE CCCC[C@](C#N)(CC)[C@H](O)c1cc(Cl)sc1Cl 2046001964 HQCCPEMAKQCMHP-YPMHNXCESA-N 306.258 5.198 30 10 DKEE C=CCc1cccc(C(C)C)c1NC(=O)OCc1ccccc1 2081116492 NDGNZENVGKRGQY-UHFFFAOYSA-N 309.409 5.287 30 10 DKEE CCCCCCCCC[C@@H](NC)c1cc(Cl)sc1C 2098229001 YQAMBLODFNTMOS-OAHLLOKOSA-N 301.927 6.111 30 10 DKEE C=CCC[C@H](C)N[C@H](C)c1cc2cc(Br)ccc2o1 2110808003 OKVOFJLTRPZBIC-NWDGAFQWSA-N 322.246 5.201 30 10 DKEE N#Cc1cc(Br)cc(NC2CCCCCCCC2)c1 2112407191 MUXPKSBZCFHPLK-UHFFFAOYSA-N 321.262 5.236 30 10 DKEE SCCCCCCCCCSCCCOC1CCC1 2128257835 HMGGWCZCJSVSEA-UHFFFAOYSA-N 304.565 5.339 30 10 DKEE CCCCCCCCCCCC[C@H](N)CC(C)(C)SC 2154628093 BCNJWSLFDNRJKE-KRWDZBQOSA-N 301.584 6.156 30 10 DKEE N#C[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CCC2(CCCC2)C1 2155221832 DBNFPIRECAGVFI-CHWSQXEVSA-N 308.252 5.961 30 10 DKEE CCCC[C@@](C)(C#N)[C@](O)(CC)c1ccc(Cl)c(Cl)c1 2164475556 PGVGYPQHWZGWIW-HOTGVXAUSA-N 314.256 5.311 30 10 DKEE C=C(C)C[C@@H](NCCC)c1cc(Cl)cc(C(F)(F)F)c1 2200838114 XDIJGDRIZKEJPI-CQSZACIVSA-N 305.771 5.366 30 10 DKEE CCCCCC#CC[C@H](N)c1cc(-c2cccs2)cs1 2203836492 ZUBUUEVQUDTLCE-HNNXBMFYSA-N 303.496 5.450 30 10 DKEE C=C[C@H](CCCCC)OCc1cc(F)ccc1Br 2223243679 WVCHAYKOBDAZLK-CQSZACIVSA-N 315.226 5.240 30 10 DKEE Cc1cc(Cl)cc(Oc2cc(Br)cc(C#N)c2)c1 2223402830 IVMYOHGPZKDDLQ-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=C(C)CCCCC(=O)c1sc(Cl)cc1Br 2244960138 AXUMDCHLXAUASQ-UHFFFAOYSA-N 321.667 5.483 30 10 DKEE C=CCN(CC[C@@H](C)CCCC(C)C)CC(=C)Br 2259682324 ULXOXXUYOWGGII-HNNXBMFYSA-N 316.327 5.236 30 10 DKEE N[C@@H](C#CC1CCCCC1)c1c(Cl)ccc(Cl)c1Cl 2273898552 UNBBNYMQWDDTEA-ZDUSSCGKSA-N 316.659 5.230 30 10 DKEE C=C(C)CCCC[C@H](OCCC(=O)O)c1ccsc1Cl 2291754229 PVLBHTKMAFUVOK-ZDUSSCGKSA-N 316.850 5.070 30 10 DKEE CCCCCCC[C@](C)(OCCCN)c1cc(Cl)cs1 2292764584 BASRZRSNKKBPTA-INIZCTEOSA-N 317.926 5.343 30 10 DKEE C=CC[C@](C)(CC)[C@H](N)c1cc(Br)cc(C(C)C)c1 2344342516 KMLVQFIXDZKFHE-SJORKVTESA-N 324.306 5.565 30 10 DKEE CCCCCCCC[C@H](O)c1cc(F)c(Cl)cc1Cl 2349909876 RKLXTLRKOFNOSU-HNNXBMFYSA-N 307.236 5.917 30 10 DKEE C=CCC(CC=C)[C@H](N)c1ccc(Cl)c(C(F)(F)F)c1 2364042780 OWMXBYXLWACLJV-AWEZNQCLSA-N 303.755 5.127 30 10 DKEE O=C[C@]1(CCCc2cc(Cl)cc(Cl)c2)CCCC12CC2 2366849137 VDMLYQYXHAEWTM-KRWDZBQOSA-N 311.252 5.466 30 10 DKEE Cc1ccc(/C=C\C(=O)c2ccc(Nc3ccccc3)cc2)cc1 33898632 RBKDISOEEGDDGF-WJDWOHSUSA-N 313.400 5.635 30 10 DKEE COc1ccc(C)cc1C[C@H](C#N)c1cccc2ccccc12 57762102 CZZLDELVDISSDP-GOSISDBHSA-N 301.389 5.007 30 10 DKEE CC(=O)/C=C/c1ccc(-c2ccc(Oc3ccccc3)cc2)o1 90756169 COZDDQZTLXURDK-JXMROGBWSA-N 304.345 5.341 30 10 DKEE O=C(/C=C\Nc1ccc(Nc2ccccc2)cc1)c1cccs1 105082169 DJCMGPPQPQFVRT-SEYXRHQNSA-N 320.417 5.300 30 10 DKEE CCCCCCC[C@](C)(NC(C)C)c1nc2c(s1)CCC2 109690925 RPSOWJBFVVPBJE-SFHVURJKSA-N 308.535 5.206 30 10 DKEE CCCCCCC[C@](C)(Nc1cccc(Cl)c1)C(=O)OC 110319159 VYCMGUPMBGKIQE-KRWDZBQOSA-N 311.853 5.044 30 10 DKEE Cc1ccc(Br)cc1CC1(C#N)CCC(C)CC1 314182799 MPBDQJXRYPCLLL-UHFFFAOYSA-N 306.247 5.020 30 10 DKEE C=CCCC[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1Cl 398183676 PDLCFQOUCGIIDL-MLGOLLRUSA-N 300.273 5.779 30 10 DKEE CC1=CCCC(C)(C)[C@@H]1/C=C\C(C)=NNc1nc2ccccc2[nH]1 606347350 ZHCIRJWDYUBSEP-BTSFWHBRSA-N 322.456 5.289 30 10 DKEE CCCCCCC[C@@H](O)c1ccccc1NC(=O)OC(C)(C)C 697398117 DHWIRWOOEDXZDY-QGZVFWFLSA-N 321.461 5.428 30 10 DKEE CCC(C)(C)[C@@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698471002 XDSDTMXSZQFTAD-MRXNPFEDSA-N 316.445 5.065 30 10 DKEE Fc1cc2ccc(C(F)(F)F)c(SC(F)(F)F)c2s1 725304983 HQIGISIKHTXRBF-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE Fc1cccc2sc(SC(F)(F)F)c(C(F)(F)F)c12 725305014 JQXRONHHVAQHDO-UHFFFAOYSA-N 320.254 5.671 30 10 DKEE Cc1cc(C)cc(C#Cc2cc(Br)ccc2Cl)c1 1614826673 KBMDZPRUVSEGMQ-UHFFFAOYSA-N 319.629 5.119 30 10 DKEE C=CC[C@@H](C)Sc1ncc(Br)c2ccsc12 1899430776 DFAZVYFFEYVWLJ-MRVPVSSYSA-N 314.273 5.116 30 10 DKEE C[C@@H](c1cccs1)N(Cc1ccccc1)CC(C)(C)CS 1915086820 NECCQLIMCIDVLP-HNNXBMFYSA-N 319.539 5.267 30 10 DKEE CCCCCCCC(=O)c1c(Cl)sc(Cl)c1Cl 1925565853 HXNPPAYGLVOHGM-UHFFFAOYSA-N 313.677 6.252 30 10 DKEE C[C@H](N(CCCC(C)(C)C#N)Cc1ccccc1)C(C)(C)C 1931997323 WHDMWFIYPWCKNM-KRWDZBQOSA-N 300.490 5.253 30 10 DKEE CCCCCCCCC(=O)C1CCN(Cc2ccccc2)CC1 1939416401 FKZNMVQHXZYIFK-UHFFFAOYSA-N 315.501 5.218 30 10 DKEE C=CCCCCCCN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 1995171410 OZXHOPOUUNINCE-VQTJNVASSA-N 315.501 5.096 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1cc(C)ccc1Br 2040535418 ZMARTFQGVAGQGJ-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2c(C)cccc2Br)CC1 2061176029 AEMKYSMTDLIZMJ-GFCCVEGCSA-N 307.231 5.077 30 10 DKEE CC#CC[C@@H](NCC)c1ccc(-c2ccccc2Cl)s1 2164105032 ODNOGBKJWFQLOZ-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=C1C[C@H]1C[C@H](NCCC)c1cc(-c2cccs2)cs1 2164190860 UXGHBEUVVGCQRY-ZFWWWQNUSA-N 303.496 5.484 30 10 DKEE C=CC1(CN[C@H]2CCSc3ccc(Cl)cc32)CCCC1 2189515137 QUOWJVXELYCJSL-HNNXBMFYSA-N 307.890 5.213 30 10 DKEE C#CC[C@H](C[C@H](NCC)c1cc2sccc2s1)C1CC1 2196855401 CQWBHHXFKCIGOE-KGLIPLIRSA-N 303.496 5.053 30 10 DKEE O=C(C1=CCCCCCC1)c1ccc(-c2cccs2)s1 2205862505 BVWKPXKICHIUBK-UHFFFAOYSA-N 302.464 5.940 30 10 DKEE C=CCCCCCCC[C@H](NN)c1scc(C)c1Cl 2227287696 QROFBZXFWRZNLS-ZDUSSCGKSA-N 300.899 5.131 30 10 DKEE CCCC#C[C@@H](NC)c1ccc(-c2ccc(Cl)cc2)s1 2233782574 OFHMAYYRBUQRRK-OAHLLOKOSA-N 303.858 5.133 30 10 DKEE C=CCCCCCCCSc1nc(Cl)c(C(C)=O)s1 2271497655 KCXSCZWVFNFNGG-UHFFFAOYSA-N 317.907 5.618 30 10 DKEE C=CCCCCC[C@@H](NCC)c1cc(Cl)c(Cl)cc1C 2286522816 CDJZRNQXORNEFB-QGZVFWFLSA-N 314.300 6.089 30 10 DKEE C=CCC(CC=C)N(C)[C@@H](C)c1cc(Br)cs1 2301055616 PHYMBTXJSKXGAW-NSHDSACASA-N 314.292 5.024 30 10 DKEE CCCN[C@H](C#C[C@H]1CC1(C)C)c1cc(Cl)sc1Cl 2339568242 NZGDUAUJEBYHTL-CMPLNLGQSA-N 316.297 5.145 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC 2344394225 AYCGCEFPUOQMTJ-HZPDHXFCSA-N 300.273 5.116 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCCC)c1cscc1C(F)F 2370481890 IDVKYWLCOPAXBM-GOEBONIOSA-N 301.446 5.719 30 10 DKEE C[C@@H]1CC/C(=N/Nc2nc(-c3ccc(Cl)cc3)cs2)C1 40859879 FDFJAFXMIJWFOL-IQRLKCEISA-N 305.834 5.051 30 10 DKEE Cc1ccc(Cn2c(Cl)c(C#N)c3c(C)cc(C)cc32)cc1 71465840 GIYRMPDGUAOKMC-UHFFFAOYSA-N 308.812 5.140 30 10 DKEE CC[C@@H](Nc1cc(C#N)ccc1C)c1ccc(Cl)c(Cl)c1 109945171 JHBIAEKXYNUVCT-MRXNPFEDSA-N 319.235 5.737 30 10 DKEE CCCCCCCCCCCCN(CCC(N)=S)C(C)C 110270957 RZASCZDUGGJQSC-UHFFFAOYSA-N 314.583 5.294 30 10 DKEE CCCCCCCCCC[C@H](NN)C1CCC(F)(F)CC1 122676238 MVELERUTTWIIDB-INIZCTEOSA-N 304.469 5.175 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@](C)(CC)OCC 161816120 GRBUFOZBZQHNJH-OALUTQOASA-N 300.527 5.864 30 10 DKEE CCOc1ccc(C#Cc2ccc(-c3ccccc3)s2)cc1 197005273 XMTZFOVQTLRPMD-UHFFFAOYSA-N 304.414 5.214 30 10 DKEE CCCCCCCCC[S@](=O)Cc1ccccc1Cl 526851655 QYTXKGZUTGEVOM-IBGZPJMESA-N 300.895 5.339 30 10 DKEE CCC[C@](C#N)([C@@H]1CC1(C)C)N(C(=O)OC(C)(C)C)[C@H](C)CC 698421466 FJZWAZVSWODHHC-CLCXKQKWSA-N 322.493 5.131 30 10 DKEE CC(C)CN(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCCC1(C)C 719221012 MFFDNNQXDBHQDY-IBGZPJMESA-N 322.493 5.132 30 10 DKEE CCCCCCCCCCCC(=O)NC(C)(C)CC(C)(C)C 1865984779 HYYGOLNZVILDBG-UHFFFAOYSA-N 311.554 6.238 30 10 DKEE CC1(C)CC[C@@H]([C@H](C#N)Sc2ccccc2Br)C1 2037683977 WTQAJCDHHYRIKM-RISCZKNCSA-N 324.287 5.260 30 10 DKEE FC(F)c1ccc(SC(F)(F)F)cc1OC(F)(F)F 2081025906 LHVMZGWHPYAJBN-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE C=C([C@H](NCC)c1c(Cl)ccc(Cl)c1Cl)C(C)(C)C 2107874029 XNYIVUFEQUPEER-AWEZNQCLSA-N 320.691 5.900 30 10 DKEE C=CC1(CC[C@@H](NCC)c2ccc(Br)cc2)CCC1 2113418212 QPMYPEVWWCRGFX-MRXNPFEDSA-N 322.290 5.236 30 10 DKEE C=CCCCC[C@@H](CSc1ccccc1Cl)NCCC 2179683483 USBXXXOOYJZNDE-HNNXBMFYSA-N 311.922 5.547 30 10 DKEE CC#CCCCC[C@@H](NCCC)c1ccc(Cl)c(Cl)c1 2196169589 HSFLYGWSAPBENM-QGZVFWFLSA-N 312.284 5.618 30 10 DKEE CCCCC#CC[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2203788285 WXIWRIABFOSTDA-KRWDZBQOSA-N 312.284 5.618 30 10 DKEE N#Cc1cc(Br)ccc1OCCCCCCC1CC1 2225783183 ODZAHTZUMCBOLH-UHFFFAOYSA-N 322.246 5.060 30 10 DKEE CCCCCCCC[C@@](C)(O)c1csc(C(F)(F)F)c1 2240629771 XRHJMBACSZGFQU-CQSZACIVSA-N 308.409 5.725 30 10 DKEE C=C(C)CCCC[C@]1(O)CC[C@H](C)C[C@H]1OCc1ccccc1 2244650623 KQSFNKAWHIIIIC-TYPHKJRUSA-N 316.485 5.259 30 10 DKEE CCC[C@](C=O)(CC)CN(Cc1ccccc1)[C@@H](C)C(C)(C)C 2244799674 CJQPJNPBHAJQIW-GHTZIAJQSA-N 317.517 5.319 30 10 DKEE C=C([C@H](NC)c1sc(Cl)cc1Br)C(C)(C)C 2244968601 FPSKDQRWJOAQQU-JTQLQIEISA-N 322.699 5.027 30 10 DKEE Cc1cc(Cl)c(Cl)cc1C(=O)C1=CC[C@@H](C(C)C)CC1 2286479941 TVBWQXDNKJMSFP-GFCCVEGCSA-N 311.252 5.867 30 10 DKEE CC[C@@H](C)Oc1ccc2c(c1C)OC(=Cc1cccc(C)c1)C2=O 2324714643 ZJTWETZETLERAP-CQSZACIVSA-N 322.404 5.097 30 10 DKEE C=C(C)CCCC[C@](C)(O)c1ccc(Cl)c(C)c1Cl 2353211509 TXTMXQQBRSJODO-INIZCTEOSA-N 301.257 5.646 30 10 DKEE C=CCC(CC=C)Sc1cc(Cl)ccc1C[C@@H](N)CC 2360330939 POQGPDWVUAIVKW-HNNXBMFYSA-N 309.906 5.233 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1Sc1cccc(Br)c1 55307772 IELDFHQZZILYQW-FZMZJTMJSA-N 310.260 5.014 30 10 DKEE Cc1cc2nc(-c3cccc(Cl)c3)n(C[C@@H](C)C#N)c2cc1C 57801982 JNAOIGTXPPTZRZ-LBPRGKRZSA-N 323.827 5.133 30 10 DKEE CCOc1ccc(CC)cc1C(=O)/C=C/c1ccc(Cl)cc1 83193930 PJMBLWOYPSTTRG-YRNVUSSQSA-N 314.812 5.197 30 10 DKEE CCCCCCCc1c(C)nn(C(=O)c2ccc(C)cc2)c1C 100458357 HIHJUHDQNWJBAE-UHFFFAOYSA-N 312.457 5.010 30 10 DKEE C[C@H](Nc1cc(Cl)ccc1C#N)c1cc2ccccc2s1 126443420 RAQANYWOAWTEOK-NSHDSACASA-N 312.825 5.599 30 10 DKEE CCCCCCC[C@H](NC)c1ccc(F)c(Br)c1 126449121 XBZZFBBXMFREPM-HNNXBMFYSA-N 316.258 5.209 30 10 DKEE CCSc1cccc(NCc2ccc(F)c(Cl)c2)c1C#N 136657950 QMLGRUCTWLGVHW-UHFFFAOYSA-N 320.820 5.075 30 10 DKEE CCCCCCCCOCc1cccc(F)c1Br 158121398 POEQTHAQOXSLGG-UHFFFAOYSA-N 317.242 5.465 30 10 DKEE CCCCCCCC[C@H](N)c1ccccc1OC(F)(F)F 163645624 NJLGJZPCMZPFIC-AWEZNQCLSA-N 303.368 5.336 30 10 DKEE C=C(Br)CCC(=C)c1ccc(Cl)c(Cl)c1 384345929 ZBJVJYACOMLEQT-UHFFFAOYSA-N 306.030 5.695 30 10 DKEE C=CCC[C@@H](NCCC)c1ccccc1OCc1ccccc1 390763756 CJZPYTGFKRUZBE-HXUWFJFHSA-N 309.453 5.273 30 10 DKEE CC[C@H](C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698468780 MRGXLBVSKVRVSV-WMLDXEAASA-N 316.445 5.065 30 10 DKEE CC(C)(C)c1ccc(-c2nccc3c2ccn3CCCC#N)cc1 821290788 YBNNFZYVOOVYCB-UHFFFAOYSA-N 317.436 5.305 30 10 DKEE CC(C)(C)OC(=O)N(C1CCC1)[C@@](C)(C#N)C1(C)CCCCC1 1975574347 QEQJBQOFAHZEFI-IBGZPJMESA-N 320.477 5.029 30 10 DKEE CCCCCCCC[C@@]1(O)CCCN(Cc2ccccc2)CC1 1976778234 COIWCVMBPUUGGH-OAQYLSRUSA-N 317.517 5.154 30 10 DKEE C=C(C)CC[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1OCc1ccccc1 1977451053 OUBRBCMOQWOIFB-KOUHRCEDSA-N 315.501 5.095 30 10 DKEE C=CC1(C[C@H](O)c2ccccc2OCc2ccccc2)CCC1 1980021184 AECZXOWZZSZBOW-IBGZPJMESA-N 308.421 5.045 30 10 DKEE C=C(F)C[C@@H](NCCC)c1cccc(OCc2ccccc2)c1 1985704407 DNWLKJOUCYCVHQ-HXUWFJFHSA-N 313.416 5.180 30 10 DKEE C=CC1(CC(=O)c2ccc(Cl)c(Br)c2)CCC1 2002617710 WKRUIGYLXNXHMO-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE C=CC[C@@H](NC)c1ccc(-c2ccccc2Br)s1 2045754600 GNZNYNRUUDQWIU-CYBMUJFWSA-N 322.271 5.014 30 10 DKEE CCCCCCC[C@@](C)(O)c1c(F)cccc1Br 2053179988 SSLTUVFSKXFTKW-OAHLLOKOSA-N 317.242 5.156 30 10 DKEE C=C(C)CC[C@H](C)NC1CC(c2ccccc2Br)C1 2096544486 GZTQLRZAVBBITN-NFOMZHRRSA-N 322.290 5.030 30 10 DKEE CC1(C)CCCC[C@@]1(C)Nc1ccc(C#N)c(Br)c1 2103595992 XGCVLLOKCSDGDJ-MRXNPFEDSA-N 321.262 5.092 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Cl)c(Cl)cc1Cl 2136594716 CTRYUQCRFPVBQR-OAHLLOKOSA-N 323.691 6.215 30 10 DKEE CCCCCCCCCCN(C)C1CCP(C)(=O)CC1 2195669037 DGSAGZGIZPEHTE-UHFFFAOYSA-N 301.455 5.214 30 10 DKEE CCCCCCC[C@@](C)(N)c1c(Cl)ccc(Cl)c1OC 2204253122 LDUADSWPXJBCDI-MRXNPFEDSA-N 318.288 5.536 30 10 DKEE C=CCCCCCC[C@@H](NC)c1cc(C(F)(F)F)cs1 2206886511 RNQKZMPLYYFBIA-CYBMUJFWSA-N 305.409 5.554 30 10 DKEE CCCCCCCC[C@H](C)N[C@H]1CC[C@@H]1OCc1ccccc1 2212664490 OZVQDWYKBRGKTF-JBACZVJFSA-N 317.517 5.463 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc(CN[C@H](C)CC)cc1 2217116569 LEPYOLNDVDJNDC-LJQANCHMSA-N 322.496 5.157 30 10 DKEE CCCCCCCCCOCc1nc(Cl)cc(Cl)n1 2231028158 ZNSYXTRKYJDOTE-UHFFFAOYSA-N 305.249 5.051 30 10 DKEE C=CCCCCCCCCOCc1cnc(Cl)cc1Cl 2234044224 UCQNHQBCZKQUQO-UHFFFAOYSA-N 316.272 5.822 30 10 DKEE CCCN[C@@H](C#Cc1ccc(Cl)cc1)c1sccc1Cl 2239467979 MEORYOMZQGKMBY-HNNXBMFYSA-N 324.276 5.147 30 10 DKEE C=C(C)CCC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1C 2243563224 AFEXQRFTRLNHNN-UHFFFAOYSA-N 317.429 5.189 30 10 DKEE C=CCCCCCCCSc1ccc(Br)cn1 2250033407 SMBILGKISUDJRT-UHFFFAOYSA-N 314.292 5.463 30 10 DKEE C=CCCCCCCOCc1ccc(Br)cc1F 2255266300 LWOBLIQMIHVICK-UHFFFAOYSA-N 315.226 5.241 30 10 DKEE CC1CC(CS)(CSCCCCCCCC2CC2)C1 2265306308 QCRGNMUBBSBCSV-UHFFFAOYSA-N 300.577 5.816 30 10 DKEE C#CCCCC[C@@H](NCCC)c1cc(Cl)c(Cl)cc1C 2286472197 GAZMHVWWEIGGEU-QGZVFWFLSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCCSCCC(CC)(CC)C(=O)O 2287073934 ZSGKGAKMRWUGTB-UHFFFAOYSA-N 300.508 5.527 30 10 DKEE C=CC[C@@](C)(CC)[C@H](N)c1cc(Br)cc(C(C)C)c1 2344342514 KMLVQFIXDZKFHE-IAGOWNOFSA-N 324.306 5.565 30 10 DKEE C=CC[C@H](C)[C@H](Cc1ccc(Cl)c(Cl)c1C)NCC 2344380959 MEHIRBMPEMOEOR-NHYWBVRUSA-N 300.273 5.035 30 10 DKEE CCCCCCCCC[C@@H](O)c1c(F)ccc(C)c1Cl 2360556874 MCHNWOVMLWUAJO-OAHLLOKOSA-N 300.845 5.962 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2 14463751 GHRFCSRKFMQJFB-JXHRLWIKSA-N 322.411 5.538 30 10 DKEE COc1ccccc1S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C#N 41030609 QUSKROJXGAELCL-JKIFEVAISA-N 303.471 5.142 30 10 DKEE N#C[C@H](C(=O)CC1CCCCC1)c1ccc(Cl)c(Cl)c1 50039122 BIYFSWZPHGLBCJ-ZDUSSCGKSA-N 310.224 5.140 30 10 DKEE Cc1ccsc1/C=N/c1ccc(Br)c(Cl)c1 59518424 WOHNYGQKZNTNNT-VIZOYTHASA-N 314.635 5.223 30 10 DKEE CCCCCCCCn1c([C@H](C)O)nc2cc(C)c(C)cc21 102247515 MDFYEUDOGLCPGQ-INIZCTEOSA-N 302.462 5.067 30 10 DKEE CCCCCCCn1cc(C=O)c2cc(Br)ccc21 104090402 UHDWSDOZMXUUMU-UHFFFAOYSA-N 322.246 5.187 30 10 DKEE CCCCCCCOCc1ccc(Br)cc1F 109975530 ACHOGIQSIVEABR-UHFFFAOYSA-N 303.215 5.075 30 10 DKEE CCCCCCCCCC[C@H](O)c1ccc(Cl)cc1F 112888156 DGGFCENODIXJMH-KRWDZBQOSA-N 300.845 6.043 30 10 DKEE CCCCCCCC[C@H](O)c1sc(C)cc1Br 115064781 ZBKJDYTUKXUZNT-ZDUSSCGKSA-N 319.308 5.603 30 10 DKEE CCCCCCCCCCC[C@H](O)c1cc(F)ccc1Cl 127664137 NZEGBAUZEMIGTA-SFHVURJKSA-N 314.872 6.433 30 10 DKEE CCSc1cccc(Nc2cc(Cl)cc(Cl)c2)c1C#N 136608286 KAJALSITRGJKRV-UHFFFAOYSA-N 323.248 5.721 30 10 DKEE CCSc1cccc(Oc2ccc(SC)cc2)c1C#N 136717885 JTMHSMPHMFJULX-UHFFFAOYSA-N 301.436 5.184 30 10 DKEE Cc1ccc(Cl)cc1Nc1cccc(Br)c1C#N 168465116 BMJOOCQKXLQABZ-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE C[C@@H](Nc1ccc(Cl)c(C#N)c1)c1ccc(Cl)c(F)c1 214978097 XJWKVWBRZFNHGE-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCCCCCC[C@@H]1CNc2c(Br)cccc21 232938890 NRHLTBQTUIZGDW-CYBMUJFWSA-N 310.279 5.709 30 10 DKEE C=CCCCCC[C@@H](NCCC)c1cccc(Cl)c1Cl 233164406 SGRQBSMHLCCHNE-MRXNPFEDSA-N 314.300 6.171 30 10 DKEE CCCCCCCCc1ccc(O)c(N=Nc2ccc(C)cc2)c1 254866834 SYNUEWCWDMGPIN-UHFFFAOYSA-N 324.468 7.019 30 10 DKEE C=CC[C@H](CC)Nc1ccc(C(F)(F)F)cc1Br 393794031 ISJADBXXFNNQAV-JTQLQIEISA-N 322.168 5.235 30 10 DKEE C=CCC[C@@H](C)Nc1cc(F)c(Br)c(Cl)c1 393816723 JOBTXPNRSSULTF-MRVPVSSYSA-N 306.606 5.008 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1c(Cl)cccc1Cl 400883707 YLIVVUOHGJSUQF-QGZVFWFLSA-N 317.300 6.342 30 10 DKEE CCCCCCCCC[C@H](C)[C@H](N)COC(=S)CCC 585663971 MGOVLSMIYGCNFQ-JKSUJKDBSA-N 301.540 5.235 30 10 DKEE CCCCCCC[S@](=O)Cc1c(Cl)cccc1Cl 586377774 RCQMOZCGXCGIAC-SFHVURJKSA-N 307.286 5.213 30 10 DKEE Cc1ccccc1N(C(=O)OC(C)(C)C)[C@@](C)(C#N)CC(C)C 698419323 MNBGMBFSDLIVGJ-LJQANCHMSA-N 316.445 5.065 30 10 DKEE CSc1c(SC(F)(F)F)ccc2cc(CC#N)sc12 725318582 QWBNKOYDKPIVGE-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE CCC(CC)N(C(=O)c1cccc(C#N)c1)c1cc(C)cc(C)c1 1859984269 KXGNYEFERAQPJW-UHFFFAOYSA-N 320.436 5.011 30 10 DKEE CCCCCCCCCSc1nc(-c2ccccc2)cs1 1860795723 BQLQSKNBPPXTDT-UHFFFAOYSA-N 319.539 6.653 30 10 DKEE CSc1cc(N(Cc2ccccc2)[C@H](C)C(C)C)ccc1C#N 1905529292 LJQPGJIKYFPENA-MRXNPFEDSA-N 324.493 5.331 30 10 DKEE CCCCCCC[C@@](C)(O)C[C@H](C)COCc1ccccc1 1919906352 WLRUKYMJSPEAGE-AZUAARDMSA-N 306.490 5.341 30 10 DKEE C=CCCCCCC[C@H](O)c1ccc(Br)s1 1995208196 ZKPPDVQIZKRAIL-NSHDSACASA-N 303.265 5.071 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(Br)c(C)s1 2000365414 PPLWVXCTZAJJPH-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CC[C@@H](C)[C@H](NCCC)c1sc(C)cc1Br 2000450576 RZERFKTZMSLBQZ-MFKMUULPSA-N 316.308 5.072 30 10 DKEE C=CCCC(=O)c1ccc(-c2ccc(Br)cc2)s1 2045674363 XKQKQZZFAWHWCZ-UHFFFAOYSA-N 321.239 5.327 30 10 DKEE N#CC1(CSc2cc(Cl)cc(Cl)c2)CCCCC1 2047532198 DJJWCEGWRVSTTE-UHFFFAOYSA-N 300.254 5.560 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(Br)co1 2049666611 FRNVWGOZNUFWQH-AWEZNQCLSA-N 317.267 5.606 30 10 DKEE C=CCCCC[C@](C)(N)c1cc2cc(Br)ccc2o1 2123083559 KCHZHIDTQCWQNV-INIZCTEOSA-N 322.246 5.116 30 10 DKEE C=CCCCCCCN1CCCc2c(Br)cccc21 2141919252 OHCJHWYIRNWGBD-UHFFFAOYSA-N 322.290 5.338 30 10 DKEE CCCCCCCCCCCCN[C@@H](C)CSC(C)C 2144731416 URPZCPUVQPBAKZ-SFHVURJKSA-N 301.584 6.027 30 10 DKEE CN[C@@H](CC#CC1CCCCC1)c1ccc(Cl)cc1Cl 2149857239 GSVQEWKOILGSGT-KRWDZBQOSA-N 310.268 5.228 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(-c2cccs2)cs1 2164189651 HBZFBDVXJUTJQY-GUYCJALGSA-N 305.512 5.730 30 10 DKEE C=CCCCCCCCCC[C@H](NC)c1ncc(Cl)s1 2207410209 QHGBRSZZBIUMRG-AWEZNQCLSA-N 314.926 5.754 30 10 DKEE CCCCCCCC[C@H](C)N[C@@H](C)c1ccc(Cl)s1 2231938843 CKDAJJREFSWOAN-KBPBESRZSA-N 301.927 6.191 30 10 DKEE N#C[C@H](C(=O)CCC1CCCC1)c1cc(Cl)ccc1Cl 2234053636 LKCSJTQGJWDFBQ-AWEZNQCLSA-N 310.224 5.140 30 10 DKEE C=C(C)CCCCNc1cc(Cl)cc(Br)c1 2244650168 DIHHPQLAYIUMDN-UHFFFAOYSA-N 302.643 5.261 30 10 DKEE C=CCC[C@H](NCCC)c1sc(Br)c(C)c1C 2247215993 FJEZIFGPVXKMKS-LBPRGKRZSA-N 316.308 5.134 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Cl)cc(F)c1F 2287412831 GFWQVHSZIUKQAM-OAHLLOKOSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCC(=O)c1sc(C(F)(F)F)cc1C 2295006292 LNMILCDGOJZGMD-UHFFFAOYSA-N 304.377 5.785 30 10 DKEE N#Cc1c(-c2ccccc2)cc(C=Cc2ccccc2)nc1S 2297616933 PCPFQCAKLPBRLB-UHFFFAOYSA-N 314.413 5.079 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2cc(C)ccc2C)cc1 2323943513 LBRCARWPLFFDTN-UHFFFAOYSA-N 306.405 5.154 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(Cl)c(Cl)cc1Cl 2344342701 AXIHESWSVVNOQI-CQSZACIVSA-N 320.691 5.900 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cc(Cl)c(Cl)c(Cl)c1 2344347004 XWOZQHZKTMVTQA-CQSZACIVSA-N 320.691 5.900 30 10 DKEE C=CCC[C@@H](C)[C@@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366410813 CXENZSGNKIIVPA-BDJLRTHQSA-N 318.263 5.776 30 10 DKEE C=CCCC[C@@H](Cc1cc(F)c(Cl)cc1Cl)NCCC 2377412838 CBVUCTKBSHSUCC-ZDUSSCGKSA-N 318.263 5.400 30 10 DKEE Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C#N)cc1F 36886928 SDVKHAZMDFXMPN-UHFFFAOYSA-N 303.764 5.575 30 10 DKEE C=CCOc1ccc2ccccc2c1CN[C@@H]1CCC[C@@H](C)C1 66117352 SRXLZTZSYUOBAW-SJLPKXTDSA-N 309.453 5.073 30 10 DKEE N#Cc1cccc(/N=N\c2c(-c3ccccc3)nc3ccccn23)c1 71580071 YUKMNFLGSZNVMQ-VHXPQNKSSA-N 323.359 5.288 30 10 DKEE CSc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)cc1 83192793 HGQNLABKAYNHKM-KPKJPENVSA-N 312.434 5.092 30 10 DKEE CCCCCCCCCCCC[C@H](N)CS[C@H](C)CC 115645867 VJVBPTFFQKKZQO-MSOLQXFVSA-N 301.584 6.156 30 10 DKEE CC(C)(C)C1CCC([C@H](C#N)Nc2ccccc2Cl)CC1 130050137 TWOBEEIVXCYFGB-KVULBXGLSA-N 304.865 5.497 30 10 DKEE CCCCCCCCC[C@H](O)c1ccc(C(F)(F)F)cn1 135353096 CMMUXFIREHANHK-HNNXBMFYSA-N 303.368 5.275 30 10 DKEE CCCCCCCCCCC(=O)[C@H]1SCCS[C@@H]1CC 162084432 ATGIYOGAVIQHCH-IAGOWNOFSA-N 316.576 5.714 30 10 DKEE CCCC1CCC(C#N)([C@@H](O)c2ccc(Cl)cc2F)CC1 165703732 OSTALRHAMGGHGT-PDOTXMHQSA-N 309.812 5.013 30 10 DKEE C=C(CNc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1 169092425 ZXHUJPCRPVNFKM-UHFFFAOYSA-N 311.734 5.484 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)cc2c1OCC2 228436958 LZNULSWQKNMFBT-KRWDZBQOSA-N 310.865 5.449 30 10 DKEE CCCCCCCCC[C@@H](NCC)c1scc(C)c1Cl 232933075 XHSLWRFEWGNYPF-OAHLLOKOSA-N 315.954 6.501 30 10 DKEE C=CCCCCC[C@H](N)c1cccc(Br)c1Cl 236303200 HWRMBUAZBZYCLT-ZDUSSCGKSA-N 316.670 5.239 30 10 DKEE CCCC1CCC(C=O)(Cc2ccc(Cl)cc2Cl)CC1 316898299 SZHDSHHJJKKGSJ-UHFFFAOYSA-N 313.268 5.712 30 10 DKEE C=CCCCCC[C@H](NCC)c1cscc1Br 404916718 WPFKTWQIFWKQHA-AWEZNQCLSA-N 316.308 5.298 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCC12CCCCC2 694433944 NRGCRFHYCNUTGG-BEFAXECRSA-N 320.477 5.029 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1c(C)cccc1Br 715774031 NTDNYSASOGNTEY-BBRMVZONSA-N 310.279 5.010 30 10 DKEE CSc1c(C#N)sc2ccc(SC(F)(F)F)cc12 725292299 SZEACPVKFPATIL-UHFFFAOYSA-N 305.371 5.107 30 10 DKEE N#CCc1ccc2c(SC(F)(F)F)csc2c1C(F)F 725297064 HDQHEQJQADLGLY-UHFFFAOYSA-N 323.311 5.517 30 10 DKEE FC(F)c1c(C(F)(F)F)sc2cc(C(F)(F)F)ccc12 725324893 YNAHRIDZQUHODI-UHFFFAOYSA-N 320.204 5.877 30 10 DKEE CC/C(=N\OCc1cccc(Cl)c1)c1ccc(SC)cc1 821227773 XPCMGTAEBLDNMT-HTXNQAPBSA-N 319.857 5.393 30 10 DKEE C#CCSc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1860799548 PYPDNIDFMJXPFD-UHFFFAOYSA-N 307.443 5.202 30 10 DKEE CCCCCCCCCCNC(=O)c1sc(C)nc1C(C)C 1868190815 TWCPBYADVSTEHP-UHFFFAOYSA-N 324.534 5.445 30 10 DKEE CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)CC)ccc3C2=O)cc1 1871421742 URCBTYFVKSWKIF-GQFJFNLSSA-N 322.404 5.043 30 10 DKEE CCCC(CS)(CCC)CN(Cc1ccccc1)CC(C)C 1931881305 GAFLKWVMWKJFAA-UHFFFAOYSA-N 321.574 5.661 30 10 DKEE C=CCC[C@H](C)Nc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 1936490102 YNLCPALKOQGIOC-GJZGRUSLSA-N 318.461 5.039 30 10 DKEE CC[C@H]1CC=C(C(=O)c2cccc(Br)c2C)CC1 2061179712 SCYMPBQQRSURDP-LBPRGKRZSA-N 307.231 5.077 30 10 DKEE CCCCCCCCCC[C@H](O)c1cc(Cl)sc1C 2098164618 IFNPLDODAFAJOB-HNNXBMFYSA-N 302.911 6.274 30 10 DKEE CCCC[C@](C#N)(CC)[C@@H](O)c1cc(Cl)cc(Cl)c1 2108213831 PKPQCBJLACGHBD-GJZGRUSLSA-N 300.229 5.137 30 10 DKEE C=C1CCC(C[C@@H](NCCC)c2ccc(SC)s2)CC1 2149703405 ROFAXUVYHZAEOP-OAHLLOKOSA-N 309.544 5.647 30 10 DKEE CCCC[C@](C=O)(CC)Cc1csc(-c2cccs2)n1 2164460672 KPDDCJSMIBCCIW-MRXNPFEDSA-N 307.484 5.200 30 10 DKEE CCC[C@@H](C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1)C(C)C 2203972266 CACUSDWIRJMOLW-CABCVRRESA-N 312.240 5.242 30 10 DKEE CCCCCC#CC[C@@H](N)c1ccc(-c2cccs2)s1 2205871686 YCACVDNSIOCGJN-CQSZACIVSA-N 303.496 5.450 30 10 DKEE Cc1cc(Cl)cc(Cl)c1OCC1(CS)CCCC1 2217711076 ZQGUSGWHOZOFGO-UHFFFAOYSA-N 305.270 5.171 30 10 DKEE C=CCCCCCCC[C@@](C)(N)c1cc(Cl)sc1Cl 2227277460 YQIQOELVVCBNFS-OAHLLOKOSA-N 320.329 6.146 30 10 DKEE C=CCCCCCCNc1cc(Cl)c([N+](=O)[O-])cc1Cl 2234284784 OQXMMJNDADBGEZ-UHFFFAOYSA-N 317.216 5.450 30 10 DKEE CCCCCCC[C@@](C)(O)c1cc(Cl)c(F)cc1OC 2234372191 FDSTVDUAECRAJD-MRXNPFEDSA-N 302.817 5.056 30 10 DKEE Cc1ncsc1[C@@H](C)N(C)CCCCCCCCCS 2237941354 VCWUNYHMSRTWJU-OAHLLOKOSA-N 314.564 5.105 30 10 DKEE CC(C)(C)C#CC=CC[C@@H](O)c1cc(Cl)c(Cl)s1 2256774025 MBLNPGRWHXMAJN-LLVKDONJSA-N 303.254 5.084 30 10 DKEE CCCC[C@H](CC)CSCCCCCCCCCS 2278370729 ADKPPHNKYJAWNH-KRWDZBQOSA-N 304.609 6.597 30 10 DKEE C=CCCCCCCCCC[S@](=N)(=O)CCCCCC 2295794714 KXSLBBCKHCLFSP-HXUWFJFHSA-N 301.540 5.920 30 10 DKEE CCCCCCCCCOc1cc(Cl)c(F)cc1C=O 2362438565 RBVXIIKZPAARRG-UHFFFAOYSA-N 300.801 5.421 30 10 DKEE CC[C@@]1(C)CCSC(=Nc2cc(C3CC3)ccc2Cl)N1 2363383362 AJGQKWDNXXRCCF-INIZCTEOSA-N 308.878 5.100 30 10 DKEE N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 37344553 BMBAAZAEMJVZKV-LBPRGKRZSA-N 324.594 5.137 30 10 DKEE CCCCCCCCCC[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 59908111 RWTBKCNWEHDYIT-KRWDZBQOSA-N 321.417 5.294 30 10 DKEE CCCC1(CCC)CC(C#N)(c2cccc(Br)c2)C1 86541452 UYTJFFZVSBJIAK-UHFFFAOYSA-N 320.274 5.591 30 10 DKEE N#Cc1ccc(Cl)cc1OCc1ccc(Cl)cc1Cl 128996080 GMZUKQBUEMVGRS-UHFFFAOYSA-N 312.583 5.097 30 10 DKEE CCCCCCCCCCCC(=O)N[C@H](C)C1CCCCC1 138466773 AOOKJYBIYQLJIO-GOSISDBHSA-N 309.538 5.992 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc(Cl)ccc1C 158931214 LVZHCIRQUBJTDI-LJQANCHMSA-N 309.925 6.440 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1cc(F)ccc1C(F)(F)F 164186743 PEIMGQKPESNHCM-OAHLLOKOSA-N 303.343 5.242 30 10 DKEE CCCN[C@@](C)(C#N)CCCCSCc1ccc(Cl)cc1 166182205 SFFVYASTMIHYIH-QGZVFWFLSA-N 324.921 5.025 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccccc2Cl)C1 222247808 KERRRZFZGVVLSS-IOASZLSFSA-N 307.890 5.787 30 10 DKEE Cc1ccc(-n2c(C)cc(C=Nc3ccc(F)c(F)c3)c2C)cc1 254525044 XBYGYZDJICDEFD-UHFFFAOYSA-N 324.374 5.431 30 10 DKEE CCCCCCC[C@@H](C)NCC[C@H](C)N(C)Cc1ccccc1 379629754 OZBARFCASZUXQK-UXHICEINSA-N 318.549 5.236 30 10 DKEE CCCCCCCCCC[C@@H](O)c1cc(F)ccc1Cl 383845410 NICLDXXWMCPULC-QGZVFWFLSA-N 300.845 6.043 30 10 DKEE C=C(CC)CC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 405762922 HEIKZJVSGODPAE-UHFFFAOYSA-N 323.820 5.226 30 10 DKEE CCCCCCCCC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 695964606 ZCBXXEAWICNQHS-HNNXBMFYSA-N 318.288 5.750 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)C1(C#N)CCC(C(C)C)CC1 698373992 FXCRUJQMWVZXCF-MDCZIUGASA-N 322.493 5.131 30 10 DKEE C=C(C)COc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1 1874598752 CJBUCDNHQKEMPM-PKNBQFBNSA-N 306.405 5.154 30 10 DKEE CCC(CC)(CS)CN(Cc1ccccc1)Cc1ccco1 1915122304 ACNCIEUXNMGWMQ-UHFFFAOYSA-N 317.498 5.018 30 10 DKEE CCCCCCC[C@@](C)(O)CCc1cc(Cl)cc(Cl)c1 1919904198 OITPZHNKACRFNM-QGZVFWFLSA-N 317.300 6.038 30 10 DKEE CC(C)[C@@H](C)N(Cc1ccccc1)C[C@@H](CS)C(C)(C)C 1931998304 JEJUVLDXZUJDGA-AEFFLSMTSA-N 307.547 5.125 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cccc(OCc2ccccc2)c1 1996468170 BMLQXNLDXWDZQN-GCJKJVERSA-N 323.480 5.519 30 10 DKEE CC1(C)CCC[C@@](C#N)(Cc2ccc(Br)s2)C1 2002994519 UOGPLLMEJMJGSZ-CQSZACIVSA-N 312.276 5.163 30 10 DKEE CCCCCCCN[C@H](C)c1cc(F)ccc1Br 2035584969 AVOGCOCHIJBQQT-GFCCVEGCSA-N 316.258 5.209 30 10 DKEE CCCCCCC[C@@](C)(N)c1ccc(Br)c(F)c1 2077491467 ZUFWIJDBNGFNPP-OAHLLOKOSA-N 316.258 5.123 30 10 DKEE C=CCC[C@H](C)[C@H](NCCC)c1ccc(Cl)c(Cl)c1 2102112240 RBEYXMQCYBDCTD-LRDDRELGSA-N 300.273 5.636 30 10 DKEE C=C(CC)C[C@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146759979 SNUBLKPNTMYPGJ-AWEZNQCLSA-N 305.771 5.366 30 10 DKEE C=CC[C@@H](C)[C@H](NCC)c1ccc(C(F)(F)F)c(Cl)c1 2146763686 PLLRZJBPVBWOMX-YGRLFVJLSA-N 305.771 5.222 30 10 DKEE C=C(C)CC[C@@H](C)N[C@H]1CCOc2c(Cl)cc(Cl)cc21 2152864416 JHAKFRXZIAIWFT-ABAIWWIYSA-N 314.256 5.151 30 10 DKEE C=C([C@@H](NCCC)c1cc2c(s1)CCSC2)C(C)(C)C 2152954851 ZGEPFUOGKIOIJU-MRXNPFEDSA-N 309.544 5.180 30 10 DKEE C=C([C@@H](NCCC)c1ccc(F)c(Cl)c1F)C(C)(C)C 2164217593 KOHCYOQBMGTAQJ-OAHLLOKOSA-N 301.808 5.261 30 10 DKEE CCCCCCCCCCCC[C@H]1C[P@@](C)(=O)CC1=O 2172987852 MEFBKDAPNFDEFX-OXJNMPFZSA-N 300.423 5.489 30 10 DKEE C#Cc1ccc(N[C@H](C)c2c(Cl)ccc(F)c2Cl)cc1 2177232869 YBOMOPBFKBCYFD-SNVBAGLBSA-N 308.183 5.287 30 10 DKEE C=CCCCC[C@H](CSc1ccccc1Cl)NCCC 2179683484 USBXXXOOYJZNDE-OAHLLOKOSA-N 311.922 5.547 30 10 DKEE CCCC#CCC(=O)c1ccc(-c2ccc(Cl)cc2)s1 2203881894 WXJCSLIUBDXERY-UHFFFAOYSA-N 302.826 5.445 30 10 DKEE CCCCCCCCCCCCO[C@H](C(N)=S)C(C)C 2239547308 FMAUVGCOSWEKAE-INIZCTEOSA-N 301.540 5.235 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](SC2CC(C(F)F)C2)C1 2241016430 YSZKRBABMMTIQB-UKVZVYNXSA-N 301.446 5.118 30 10 DKEE C=C(C)CCCC[C@H](N)c1cc(Cl)cc(Br)c1 2250160879 FOQRPTKULHNHPY-AWEZNQCLSA-N 316.670 5.239 30 10 DKEE N#Cc1ccc(SCC2(C(F)(F)F)CCC2)c(Cl)c1 2274597079 LFHPBPDDTOBZQS-UHFFFAOYSA-N 305.752 5.036 30 10 DKEE C[C@@H](Nc1c(F)cccc1C#N)c1ccc(Cl)cc1Cl 2280475614 COOHBZUSIAPTHT-SECBINFHSA-N 309.171 5.177 30 10 DKEE CCCN[C@H](CC#CC1CCCC1)c1cc(Cl)sc1C 2289840378 PMSSLFZYUAPZSK-MRXNPFEDSA-N 309.906 5.334 30 10 DKEE CCCCCCC[C@@](C)(O)C(=O)c1cc2sccc2s1 2295503687 LRDRFQWISYMOQY-MRXNPFEDSA-N 310.484 5.257 30 10 DKEE O=C(C=CNc1cc(Cl)ccc1O)c1cccc2ccccc12 2295887869 RWVYMHINEVGCQL-UHFFFAOYSA-N 323.779 5.007 30 10 DKEE CCC(=NOCc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 2330252648 BDALPANQDISCHV-UHFFFAOYSA-N 313.416 5.454 30 10 DKEE C=CC[C@H](C)Sc1cc(NCCC)c([N+](=O)[O-])cc1Cl 2360207998 LNLCBYMHODGWMR-JTQLQIEISA-N 314.838 5.127 30 10 DKEE CCCCCCCCCC(=O)c1ccc(Cl)c(Cl)c1C 2364440106 GGVGDUOUTUPFDC-UHFFFAOYSA-N 315.284 6.625 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(F)c(Cl)cc1Cl 2377280197 KFBAHMGPCGRBAX-MRXNPFEDSA-N 320.279 6.273 30 10 DKEE CCCC[C@H](CC)C(=O)[C@@H](C#N)c1c(Cl)cccc1Cl 37343999 QGAIECKDLWFYAL-RYUDHWBXSA-N 312.240 5.386 30 10 DKEE CCCCCCCCCCc1ccc(-c2ncc(O)cn2)cc1 60174178 KBIARTZXMGWTHJ-UHFFFAOYSA-N 312.457 5.532 30 10 DKEE C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 85993836 RUXYUBRFOACSMM-SQGPQFPESA-N 302.458 5.049 30 10 DKEE biogenic,in-vitro SCC1(CSc2ccccc2Cl)CCCCCC1 94588819 GMCDPHORZRGKPK-UHFFFAOYSA-N 300.920 5.703 30 10 DKEE CCCCCCC[C@@](C)(NCCC)c1nc(C(C)C)cs1 109690245 LXGCPIVKZUSBMX-GOSISDBHSA-N 310.551 5.842 30 10 DKEE CCCCCCCCCNc1ccc(Br)c(F)c1 115072363 ZZDYFGJTIWXXTJ-UHFFFAOYSA-N 316.258 5.751 30 10 DKEE CCCCCCCCCCCCC/C=C1\O\C1=C/C=C/C(=O)O 115142423 GJUVRJBFSQJSIE-ZOCJSDNLSA-N 320.473 6.126 30 10 DKEE CCCCCCCC[C@H](NN)c1c(Cl)cccc1Cl 122394385 RFHNEXSAZYBUEQ-AWEZNQCLSA-N 303.277 5.248 30 10 DKEE N#C[C@H](C(=O)c1cc2sccc2s1)c1ccccc1Cl 123596841 ZLLCOYIDXMGHLR-JTQLQIEISA-N 317.822 5.106 30 10 DKEE CCCCCCCCCCCC[S@@](=O)c1cccc(F)c1 126004398 MBXQHOCSOUMIGF-NRFANRHFSA-N 312.494 5.854 30 10 DKEE CSc1cccc(N(C)[C@H](C)c2ccc(Cl)cc2)c1C#N 136660942 MTPKOCRVHGCDEV-GFCCVEGCSA-N 316.857 5.131 30 10 DKEE CCSc1cccc(O[C@@H]2C[C@H](C)CC(C)(C)C2)c1C#N 136709073 OGVCVJKVUZFNMN-UONOGXRCSA-N 303.471 5.264 30 10 DKEE C=CCSc1ccccc1N[C@@H]1Cc2ccc(Cl)cc2C1 158896074 PGWPNAXQBPSXCB-MRXNPFEDSA-N 315.869 5.197 30 10 DKEE N#Cc1ccc(Nc2cc(Cl)cc(C(F)(F)F)c2)c(F)c1 169159616 BGCWRNUNEKXZKG-UHFFFAOYSA-N 314.669 5.113 30 10 DKEE C=CCCCCC[C@H](NCCC)c1ccc(Cl)cc1Cl 233124735 ZACZPWQTOXQYEV-KRWDZBQOSA-N 314.300 6.171 30 10 DKEE C=C(CC)C[C@@H](NCC)c1ccc(Cl)cc1Br 233582877 MQFYKXJYPZMQSJ-CQSZACIVSA-N 316.670 5.109 30 10 DKEE Cc1ccc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)s1 252598721 DCQVXWLCCXORRV-UHFFFAOYSA-N 318.401 5.615 30 10 DKEE CCCCCCCCC[C@H](N)[C@@H]1CCCC[C@H]1C(F)(F)F 252988767 ZCRKWZOWQHFJPH-OAGGEKHMSA-N 307.444 5.823 30 10 DKEE C=CCCCCCCN[C@@H](C)c1cccc(Cl)c1Cl 312047179 ZVCBABIVYCKRRC-ZDUSSCGKSA-N 300.273 5.781 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(Br)oc1C 396570797 XZAJDIVCVXLFAQ-CQSZACIVSA-N 316.283 5.362 30 10 DKEE Cc1cc(OCc2ccccc2)ccc1NCC(C)(C)CCC#N 691070951 YWYMMLRVGUSVBC-UHFFFAOYSA-N 322.452 5.316 30 10 DKEE CC[C@@H](C)C[C@H](C#N)N(C(=O)OC(C)(C)C)c1ccccc1C 698422320 BSYXOWLKPKJACF-GDBMZVCRSA-N 316.445 5.065 30 10 DKEE CCCCCCCCCC[C@@H](NC)c1cscc1Cl 711524857 WHUIXEZTVNJTSN-MRXNPFEDSA-N 301.927 6.193 30 10 DKEE CCCCCCC[C@@H](C[C@@H](C)COCc1ccccc1)NC 719190687 IXTFSQJECHSZBZ-QUCCMNQESA-N 305.506 5.178 30 10 DKEE N#Cc1c(Cl)cccc1-c1c(Cl)ccc(Cl)c1Cl 1848374846 QISKTZVGHLFNEW-UHFFFAOYSA-N 317.002 5.839 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCCC1 1938721301 DKLHRKLCLYDWKE-UHFFFAOYSA-N 322.493 5.419 30 10 DKEE C=CCN(Cc1ccccc1)C[C@@H]1CCCC[C@H]1C(F)(F)F 1962674995 KRLKHEVEDGRBPV-DLBZAZTESA-N 311.391 5.043 30 10 DKEE C=CCCCCCC[C@@]1(O)CC(C)(C)[C@H]1OCc1ccccc1 1995169869 VTLPYTIHWGYFCD-TZIWHRDSSA-N 316.485 5.259 30 10 DKEE C=CCCCCCCCC[C@H](COCc1ccccc1)NCC 1995328942 WQOKDQOEBUCAFN-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE CC[C@@](C#N)(Cc1cc(Br)ccc1Cl)C(C)C 2012416971 PFHFJAUFRGMQKD-AWEZNQCLSA-N 314.654 5.221 30 10 DKEE C=CCCCCCC[C@H](O)c1scc(C)c1Br 2026002530 KHIYRLCPYQBWKT-LBPRGKRZSA-N 317.292 5.379 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(C)c(Br)c1 2043843508 JKSBZXJIHPVSRX-INIZCTEOSA-N 313.279 5.326 30 10 DKEE C=C([C@@H](NC)c1c(Cl)ccc(Cl)c1Cl)C(F)(F)F 2045674981 FGKNWGGRSXHXGT-SNVBAGLBSA-N 318.553 5.026 30 10 DKEE C=C1CC[C@H]2[C@@](C)(CC[C@H]3C[C@]32C)[C@H]1CCC(C)=CC(=O)O 2069385986 PCLDEDSUWNZZDJ-VDWQKOAOSA-N 302.458 5.206 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1Cc1ccc(C(C)C)cc1 2070138697 SWMZDBZWSTWIIX-UHFFFAOYSA-N 306.453 5.084 30 10 DKEE CCCCCCC[C@](C)(O)c1ccc(Br)c(C)c1 2071996522 GJSBLVXJRJEZHT-INIZCTEOSA-N 313.279 5.326 30 10 DKEE N#Cc1ccc(NC2CCCCCCCC2)c(Br)c1 2112433878 LEWGCQPFMDBANF-UHFFFAOYSA-N 321.262 5.236 30 10 DKEE C=CCC[C@@H](C)C[C@@H](NCCC)c1cccc(Br)c1 2113417624 KBVWCUQHVZTNKG-RHSMWYFYSA-N 324.306 5.482 30 10 DKEE CCCCCCCCC[C@@H](NCCC)c1ncc(Cl)s1 2164221203 NHLHWKIIMNRLBR-CQSZACIVSA-N 316.942 5.978 30 10 DKEE C[C@H]1CC=C(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 2181261704 KVEIFIGZQVQDCR-JTQLQIEISA-N 300.345 5.228 30 10 DKEE CCCCCCCCCC[C@@H](NCC)c1nc(Cl)cs1 2196948248 CYMDQVFPAUFMOC-CQSZACIVSA-N 316.942 5.978 30 10 DKEE N#Cc1cc(F)c(Cl)cc1NCc1cc2sccc2s1 2205531945 KOQXIMWIFCYJPA-UHFFFAOYSA-N 322.817 5.239 30 10 DKEE CC[C@@H]1CC=C(C(=O)c2scc(Br)c2C)CC1 2213771014 YWPHDYCFFKKYGM-SNVBAGLBSA-N 313.260 5.138 30 10 DKEE CCCCCCCC[C@@H](C)Nc1csnc1Br 2217313527 MBXCRFDEPJMOBY-LLVKDONJSA-N 319.312 5.457 30 10 DKEE C=CCCCCCCCCCN(C)C1CSCCSC1 2237183965 GZDZXJIELLMWPK-UHFFFAOYSA-N 315.592 5.074 30 10 DKEE C[C@@](N)(CC#CC1CCCCC1)c1cc(Cl)cc(Cl)c1 2237896013 NTXZQJLKMDKDTK-QGZVFWFLSA-N 310.268 5.141 30 10 DKEE CC(C)(C)C#CC=CCCc1cc(F)cc(Br)c1 2256713160 BVBGAMFIZOJEGB-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE CC#CCCCC[C@H](NCC)c1cc(Cl)c(Cl)cc1C 2286474844 AJZBQEDCQIKZOL-KRWDZBQOSA-N 312.284 5.536 30 10 DKEE C=CCCCCCCCS[C@H](CN)c1cccc(Cl)c1 2287097465 WEXKEJUIPMNNFK-QGZVFWFLSA-N 311.922 5.600 30 10 DKEE CCCCCCC[C@@](C)(OCCCN)c1cscc1Cl 2293449860 VPMGEOHIFYOGHF-MRXNPFEDSA-N 317.926 5.343 30 10 DKEE Cc1cccc(C=NNc2nc(-c3ccc(C)cc3C)cs2)c1 2318418474 HIWXAZLYZIPVLQ-UHFFFAOYSA-N 321.449 5.181 30 10 DKEE C=C(C)COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 2323784622 VQLSHYRDGXAYHA-UHFFFAOYSA-N 312.796 5.191 30 10 DKEE C=CCC(C)(C)[C@H](Cc1cc(F)c(Cl)cc1Cl)NCC 2377411548 LGTLRXLYLRLUSA-HNNXBMFYSA-N 318.263 5.255 30 10 DKEE C=C(C)COc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 10451703 PFYFDMFMRNLXPC-UHFFFAOYSA-N 309.409 5.017 30 10 DKEE CCCC(CS)(CCC)COc1cc(C)ccc1Cl 94584412 WNTHPEQCWKXYBC-UHFFFAOYSA-N 300.895 5.544 30 10 DKEE CCC(CC)(CS)COc1ccc(Cl)c2ccccc12 94584856 RMQFSAAACYXWLI-UHFFFAOYSA-N 308.874 5.608 30 10 DKEE O=C1/C(=C\c2ccccc2F)CCC/C1=C/c1ccccc1F 103043871 WIDDWATUDMOWCU-MCOFMCJXSA-N 310.343 5.185 30 10 DKEE CCCCCCCCCNc1cc(C(F)(F)F)ccc1F 110169683 URMQCBLFHFPQJO-UHFFFAOYSA-N 305.359 6.007 30 10 DKEE Cc1ccc(C#N)c(N[C@H](C)c2ccc(Cl)cc2Cl)c1 110465375 ALHXJUVHPDCKPU-LLVKDONJSA-N 305.208 5.347 30 10 DKEE CCCCCCC[C@@]1(C)CCNC[C@@H]1c1ccc(Cl)cc1 118849594 WXBGGCWBKQHCSC-MOPGFXCFSA-N 307.909 5.784 30 10 DKEE CCCCCCC[C@H](O)c1cc(C)c(Br)s1 126763587 KXQKWZJGIKITLN-NSHDSACASA-N 305.281 5.213 30 10 DKEE CCSc1cccc(Oc2ccc(Cl)cc2Cl)c1C#N 136705576 LUDKMELXCJBCKR-UHFFFAOYSA-N 324.232 5.769 30 10 DKEE CCCCCCCCCCNCc1occc1Br 232952013 GXDZHESUNCVCIV-UHFFFAOYSA-N 316.283 5.272 30 10 DKEE CCCCCCC[C@](O)(CC)c1cccc(Br)c1 232956986 ZOMZSXHVRGRMSI-MRXNPFEDSA-N 313.279 5.407 30 10 DKEE C=CCCC[C@@H](C)N[C@@H](CC)c1ccc(Br)cc1 398195869 TZGDISPFZWXNBT-CJNGLKHVSA-N 310.279 5.235 30 10 DKEE CCC(CC)(CC)[C@H](C#N)N(C(=O)OC(C)(C)C)C1CCCC1 710716259 LWSBNQJPRNBQCX-INIZCTEOSA-N 322.493 5.275 30 10 DKEE C=CCCCCCCNCc1ccc(C)c(Br)c1C 719537319 OKZMPMPHDXSKCQ-UHFFFAOYSA-N 324.306 5.292 30 10 DKEE CC(C)Cc1ccc(C#Cc2ccc(Br)cc2)cc1 1614827316 URWHZNRKFXLPKD-UHFFFAOYSA-N 313.238 5.047 30 10 DKEE CCCCCCC[C@@H](C)N(CCCC(=O)O)Cc1ccccc1 1915178191 CDWFOVOMBDTNJD-GOSISDBHSA-N 319.489 5.102 30 10 DKEE Cc1c(Br)cccc1C[C@@]1(C#N)CCCC12CCC2 1921635176 DOBIOCKSQNXRBS-QGZVFWFLSA-N 318.258 5.164 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccccc1C(C)C 1982110691 YWYVHJUEERJAHX-KRWDZBQOSA-N 316.445 5.022 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1ccsc1Br 1996479364 WHZWRSBHCUYRGB-WCQYABFASA-N 316.308 5.154 30 10 DKEE SC[C@H](CSc1cc(Cl)cc(Cl)c1)CC1CC1 2003368637 VMZAESUFLIVYNG-SNVBAGLBSA-N 307.311 5.432 30 10 DKEE C=CC1(C[C@H](NCC)c2ccc(C)cc2Br)CCC1 2111717921 HEUPSIGKCQPHTQ-INIZCTEOSA-N 322.290 5.155 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](SCc2ccc(Cl)o2)C1 2145636706 NQZIXWPKZYBHEV-YRGRVCCFSA-N 311.878 5.521 30 10 DKEE CC1(C)CCC[C@@](C#N)([C@@H](O)c2cccc(Cl)c2Cl)C1 2168548993 SOYHRKKZKBTIGZ-GOEBONIOSA-N 312.240 5.137 30 10 DKEE O=C(CC#CC1CCCCC1)Cc1cc(Cl)cc(Cl)c1 2203957674 QPXOAQMLBOUPHV-UHFFFAOYSA-N 309.236 5.079 30 10 DKEE C#C[C@H](N[C@H](CC)c1ccc(Cl)cc1Cl)C1CCCC1 2204043279 GHWFBZFHKUSZEV-DLBZAZTESA-N 310.268 5.226 30 10 DKEE C=CCCCCCCCCCC(=O)[C@H]1SCCS[C@H]1C 2207409237 MBLOVOXMTGKFET-RDJZCZTQSA-N 314.560 5.490 30 10 DKEE CCCCCCCC[C@H](O)[C@H](N)c1ccc(Cl)c(Cl)c1 2207448248 ILQGEUVIGAPEGC-JKSUJKDBSA-N 318.288 5.105 30 10 DKEE CCCC#C[C@H](NCCC)c1ccccc1OCc1ccccc1 2213340425 ULZOEBHDDULJLW-NRFANRHFSA-N 321.464 5.110 30 10 DKEE CCCCCCCCCOCc1ccc(Br)cn1 2223250161 QQEMXPYSTBCMMT-UHFFFAOYSA-N 314.267 5.111 30 10 DKEE C=CCCCCCCC[C@@H](NCC)c1cc(Cl)ns1 2227268516 QJZYDQLRGUZPOS-CYBMUJFWSA-N 300.899 5.364 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(Cl)cc(F)c1Cl 2239711852 RKTXHRWFPRHQFO-OAHLLOKOSA-N 320.279 6.273 30 10 DKEE C=CCCCCC[C@@H](O)c1sc(Cl)cc1Br 2244959571 MBDMIFYBIILCBJ-SNVBAGLBSA-N 323.683 5.334 30 10 DKEE C[C@@H]1CCCC[C@@H]1[C@H](C#N)c1ccc(Br)c(F)c1 2258994425 CUIGLGSSUUSFFR-KGYLQXTDSA-N 310.210 5.022 30 10 DKEE CN[C@H](CC=CC#CC(C)(C)C)c1cc2sccc2s1 2284106492 HVIXKASTTAYWNW-CYBMUJFWSA-N 303.496 5.219 30 10 DKEE C=CCCCCCCCS[C@@H](CN)c1ccc(Cl)cc1 2287095703 CHSFGQUVIUYPRO-KRWDZBQOSA-N 311.922 5.600 30 10 DKEE C=CCCCSc1ccc(F)c(Cl)c1CNCC(C)C 2287190692 BKASDTDNCGKTCX-UHFFFAOYSA-N 315.885 5.283 30 10 DKEE CCCCCCC[C@@](C)(OCC(=O)O)c1csc(Cl)c1 2290885797 SUHBTMYWJZYKKO-OAHLLOKOSA-N 318.866 5.078 30 10 DKEE C#Cc1cccc(NCCCc2cc(Cl)cc(Cl)c2)c1 2366837993 SYQCJUSUEFGWDE-UHFFFAOYSA-N 304.220 5.019 30 10 DKEE N#Cc1cccc(CNc2cc(Cl)c(Cl)cc2Cl)c1 21787820 OUPBIVMRASTFAW-UHFFFAOYSA-N 311.599 5.131 30 10 DKEE Cc1ccc(/C=C/C(=O)c2ccc(Cc3ccccc3)cc2)cc1 83193377 PNAASOSTSJFGLH-DTQAZKPQSA-N 312.412 5.482 30 10 DKEE N#CC1(CCOc2ccc(Br)cc2)CCCCCC1 87945791 PRRCZGYAUUFAFW-UHFFFAOYSA-N 322.246 5.082 30 10 DKEE FC(F)(F)c1ccc(SCC2(CS)CCCCC2)nc1 94589082 VGKFVWJKWYFJJN-UHFFFAOYSA-N 321.433 5.073 30 10 DKEE CCCCCCCCN[C@H](CC)c1ccc(OCCCC)cc1 100048436 MZABJIWQEOSZIJ-OAQYLSRUSA-N 319.533 6.267 30 10 DKEE CCCCCCCCCC[C@H](CSc1ccccc1)NC 115648391 NLQIIXPSSFGOMW-GOSISDBHSA-N 307.547 5.898 30 10 DKEE CCCCCCCC[C@H](NCC)c1ccc(OC)cc1Cl 115856920 XEMYYCPKVWZAML-SFHVURJKSA-N 311.897 5.750 30 10 DKEE CCCCCCCCC[C@H](O)[C@@H]1CCC[C@H](C(F)(F)F)C1 135351969 YAQXQUMIAUJOLL-PMPSAXMXSA-N 308.428 5.857 30 10 DKEE CCCCCCCCCCCC[C@H](O)[C@]1(C)CCCS1 135570728 WIWWQFNBTUFHNQ-ROUUACIJSA-N 300.552 5.944 30 10 DKEE COc1ccc(C#N)c(Sc2cc(Cl)ccc2Cl)c1 155509779 VHJBTWHPYKWKQD-UHFFFAOYSA-N 310.205 5.025 30 10 DKEE CCCCCCCCN[C@@H](C)c1sc(C(C)(C)C)nc1C 159176152 MUZZIZOQYLZMTD-AWEZNQCLSA-N 310.551 5.760 30 10 DKEE CCCCCCCCCC[C@H](NC)c1ccc(C)c(Cl)c1 162357212 FSBYAZUVSBUMPU-IBGZPJMESA-N 309.925 6.440 30 10 DKEE [C-]#[N+][C@@H]1[C@H](c2c[nH]c3ccccc23)[C@H](C(=C)C)CC[C@]1(C)C=C 166307542 KGWATBYKCMCFLC-KQLYMOGASA-N 304.437 5.718 30 10 DKEE CCCCCCC[C@@H](C)Nc1cnc(Br)c(C)c1 232935211 OSUZNXNYTWWROA-CYBMUJFWSA-N 313.283 5.313 30 10 DKEE CSc1ccc2c(SC(F)(F)F)c(CC#N)sc2c1 725318279 CBCMSKWHEJIQME-UHFFFAOYSA-N 319.398 5.301 30 10 DKEE Cc1cc(C)c(C=Nc2ccc(C)c(Br)c2)c(C)c1 1084171390 ZJTWFEVPDWJECL-UHFFFAOYSA-N 316.242 5.433 30 10 DKEE CCCCCCCCNC(=O)c1cccc(Cl)c1Cl 1866123681 LEHCXYSGUINGIB-UHFFFAOYSA-N 302.245 5.084 30 10 DKEE C=CCN(Cc1ccccc1)Cc1c(Cl)cccc1Cl 1883399472 QOLQYCNNKPODDW-UHFFFAOYSA-N 306.236 5.182 30 10 DKEE C[C@@H]1CC[C@@](C#N)([C@H](O)c2c(Cl)ccc(Cl)c2Cl)C1 1921099451 OJWZATXGMVHOTM-GFWSLJDESA-N 318.631 5.010 30 10 DKEE CCN(C(=O)OC(C)(C)C)[C@](C#N)(CC)C1CCC(C)(C)CC1 1975997220 HYIZBCHUMGPDKX-IBGZPJMESA-N 322.493 5.132 30 10 DKEE C=CCCCC[C@@]1(N)CCC(C)(C)C[C@@H]1OCc1ccccc1 1984517226 BEONYDHBUMWNTC-PZJWPPBQSA-N 315.501 5.226 30 10 DKEE C=C(c1ccccc1)[C@H](O)c1ccccc1OCc1ccccc1 2020519142 QPQBOHKJFCNQGO-QFIPXVFZSA-N 316.400 5.012 30 10 DKEE C=CCCCCC[C@@H](N)c1ccc(C)c(Br)c1C 2037100999 OQBWUPJFBQYBTM-OAHLLOKOSA-N 310.279 5.202 30 10 DKEE C=CCCCCCCN1CCCc2cc(Br)ccc21 2141921015 YYADQNPAMFLHPV-UHFFFAOYSA-N 322.290 5.338 30 10 DKEE CCCCCCCCCCCCC(=O)c1ncc(Cl)s1 2163950081 SFYUOVRRFBRSHU-UHFFFAOYSA-N 315.910 6.290 30 10 DKEE CC(C)[C@H]1CC=C(C(=O)c2ccsc2C(F)(F)F)CC1 2181639180 AQYCKDAFKYMEJR-JTQLQIEISA-N 302.361 5.332 30 10 DKEE CC#CCCC[C@@H](O)c1ccc(-c2cccc(Cl)c2)s1 2194059523 PIRBHUVQLFYAGY-OAHLLOKOSA-N 304.842 5.296 30 10 DKEE CCCCCC#CC[C@H](Cc1cc(Cl)cc(Cl)c1)NC 2203972237 BPYJJDZOLFWVNU-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE C=CCCCCCCCCC[C@@H](N)C(F)(F)C(F)(F)F 2207405277 RDBKXYJHVZLZNS-GFCCVEGCSA-N 301.343 5.208 30 10 DKEE C=CCCCCCCC[C@H](O)c1cc(Br)cs1 2214624800 VWVHQKJLNPYKQO-ZDUSSCGKSA-N 317.292 5.461 30 10 DKEE CCCCCCCCCCCCOCCC=CBr 2223233340 HOBWKDADMKWGFN-UHFFFAOYSA-N 319.327 6.223 30 10 DKEE CCCCCCCCCCC[C@@H](O)c1ncc(Cl)s1 2229647783 WIWWTKRDJQDMQB-CYBMUJFWSA-N 303.899 5.751 30 10 DKEE CCCCCCCCCCC[C@H](O)c1ncc(Cl)s1 2229647784 WIWWTKRDJQDMQB-ZDUSSCGKSA-N 303.899 5.751 30 10 DKEE CCCCCCCC[C@@H](C)Nc1ccc(Cl)c(Cl)c1 2231925251 WQLOKMFTOGJNRA-CYBMUJFWSA-N 302.289 6.544 30 10 DKEE CCCCCCCC[C@](C)(N)c1cc(Cl)cc(F)c1Cl 2240619960 NQILWMQRKSAMJP-INIZCTEOSA-N 320.279 6.057 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccccc1NC(=O)OC(C)(C)C 2244640705 GYMNZPBWEUPVOQ-KRWDZBQOSA-N 319.445 5.204 30 10 DKEE CCCCCCCCC[C@H](C)NCCN(C)Cc1ccccc1 2246063261 PDDFHSIWNDJFEK-FQEVSTJZSA-N 318.549 5.237 30 10 DKEE C=C(F)C[C@H](NCCC)c1sc(Br)c(C)c1C 2247230382 HKJILJSXDOXCNG-NSHDSACASA-N 320.271 5.041 30 10 DKEE C=C(C)CCCC[C@@H](NCC)c1cc(Br)oc1C 2259196092 DERHONDGSMRIEF-CQSZACIVSA-N 314.267 5.138 30 10 DKEE C=C1CCC(CNc2cc(F)cc(Br)c2C)CC1 2259596339 PVTSNYWMIPZQBS-UHFFFAOYSA-N 312.226 5.055 30 10 DKEE CC1(C)CCCCC[C@@H]1Nc1c(Br)cccc1C#N 2269685711 YXARRBPYJCFHLG-AWEZNQCLSA-N 321.262 5.092 30 10 DKEE C=CCCCCCCCn1ccc2cc(Cl)c(Cl)cc21 2283575997 ASDGPGPRPLVAJL-UHFFFAOYSA-N 310.268 6.475 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(CC2(CSC)CC(F)(F)C2)C1 2289656076 LGFGQFINSVBBFH-KGLIPLIRSA-N 301.446 5.265 30 10 DKEE N[C@@H](C#CC1CCCCC1)c1ccc(-c2cccs2)s1 2289719458 MMKKOWXCIIKJSK-AWEZNQCLSA-N 301.480 5.060 30 10 DKEE C=CCC(C)(C)[C@H](NCC)c1cccc(OCc2ccccc2)c1 2304039704 YAIQXAKWWAAZAN-OAQYLSRUSA-N 323.480 5.519 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Cl)c(Cl)cc1Cl 2321113352 OAXCAADADSFKOP-KBPBESRZSA-N 306.664 5.639 30 10 DKEE CCC(=O)Oc1cccc(C=CC(=O)c2ccc(C(C)C)cc2)c1 2325750726 ACANBTFBAWOXCZ-UHFFFAOYSA-N 322.404 5.022 30 10 DKEE COc1c(Cl)cc(C[C@]2(C#N)CCCC2(C)C)cc1Cl 2365497520 JRPZZRPYUVIMEK-INIZCTEOSA-N 312.240 5.265 30 10 DKEE C=CCCCCCC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1C 2366023970 QJGCZKQIKZKEKA-INIZCTEOSA-N 315.240 5.041 30 10 DKEE CCCCC#CC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2377333519 YVVZAENHXLZCDV-INIZCTEOSA-N 316.247 5.367 30 10 DKEE C=C(C)COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9813090 OIFMHWAADAEEFX-UHFFFAOYSA-N 323.436 5.191 30 10 DKEE COc1ccc2ccccc2c1/C=N/Nc1ccc(C)c(Cl)c1 59157869 VMNKOYHYZCVQNT-CIAFOILYSA-N 324.811 5.256 30 10 DKEE CC(C)C1=CC[C@H](C)/C(=C\c2ccc(Br)cc2)C1=O 100479751 AHIWRPYADLRREL-SEJMYLSOSA-N 319.242 5.024 30 10 DKEE CCCCCCCCn1c([C@H]2CCCO2)nc2ccccc21 102192939 SXATYIPZINWZLP-GOSISDBHSA-N 300.446 5.248 30 10 DKEE CCCCCCCCCN(CCC(=O)O)c1cccc(C)c1 105480734 QMZXOEDXNSFJPF-UHFFFAOYSA-N 305.462 5.027 30 10 DKEE CCCCCCCCCC[C@@H](NCC)[C@@H]1CSCCS1 122631045 PQMOTOANXDMBNN-SJORKVTESA-N 317.608 5.344 30 10 DKEE CCCCCCCC[C@@H](O)Cc1cc(Br)cs1 229308584 MJMXPCAKMCSNSR-CYBMUJFWSA-N 319.308 5.165 30 10 DKEE CC(C)(CCC#N)CNc1c(Cl)cc(Cl)cc1Cl 229673009 LHQUARXGVJFIEV-UHFFFAOYSA-N 305.636 5.389 30 10 DKEE C[C@H](c1ccccc1Cl)N(C)C[C@H](CS)c1ccccc1 251560238 SDDLGTUFUICZLF-GDBMZVCRSA-N 319.901 5.046 30 10 DKEE C[C@@H](Nc1cccc(CC#N)c1)c1cccc(Cl)c1Cl 313413056 UZRAIIUTJBLZOW-LLVKDONJSA-N 305.208 5.233 30 10 DKEE CC(C)(C)C#CCNc1ccc2ccccc2c1Br 396865521 XNQBZSBAVBQUOF-UHFFFAOYSA-N 316.242 5.064 30 10 DKEE C=CCCC[C@H](C)N[C@@H](C)c1cc(F)c(Cl)cc1Cl 398185465 PQFWGONAEMBQAR-QWRGUYRKSA-N 304.236 5.528 30 10 DKEE N#Cc1ccc(CSc2ccc(Cl)c(Cl)c2)cc1F 404753693 NJXUIPLSNHJARA-UHFFFAOYSA-N 312.196 5.296 30 10 DKEE N#C[C@H](C(=O)c1cc2cscc2s1)c1cccc(Cl)c1 694329298 GXYQLMLOFMOYGN-LBPRGKRZSA-N 317.822 5.106 30 10 DKEE CCC(CC)[C@H](C#N)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698470683 REZJSCIQGWKVFH-KRWDZBQOSA-N 316.445 5.065 30 10 DKEE C=CCC[C@H](C)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 1936491863 YNLCPALKOQGIOC-LSDHHAIUSA-N 318.461 5.039 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(C)sc1Br 1951017201 ZNOZARCQOFXOLN-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCCN(Cc1ccccc1)Cc1cc(C)nc2ccccc12 2019303489 UHNZXSNBSZGVHP-UHFFFAOYSA-N 316.448 5.122 30 10 DKEE CC1(C)CCCC[C@]1(C#N)Cc1csc(Br)c1 2024823192 GGPWZXLBXXFLBQ-CQSZACIVSA-N 312.276 5.163 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(C)cc1Br 2040528269 BNMMGRKQJDEHDC-XJKSGUPXSA-N 310.279 5.010 30 10 DKEE C=CCC[C@@H](NCCC)c1cc(C)c(Br)cc1C 2081073673 JGWKHTCQRMFORS-MRXNPFEDSA-N 310.279 5.073 30 10 DKEE CCCC#CC[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2083415480 OHPJHKHLHHUGNU-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCCCCCC[C@H](NCCC)c1cc(Cl)sc1C 2098228089 PDCSDJKMVOAVQZ-HNNXBMFYSA-N 301.927 6.111 30 10 DKEE C=C(Cl)C[C@H](NCCC)c1cc(-c2cccs2)cs1 2107939821 KZDZEIMVTSOCEY-ZDUSSCGKSA-N 311.903 5.660 30 10 DKEE CCCCCCCCCCCCOCC1CC2(C1)OCCO2 2116827218 ABQMJIZGCAEMMP-UHFFFAOYSA-N 312.494 5.077 30 10 DKEE CC(C)(C)[C@H]1CC=C(C(=O)c2snc(Cl)c2Cl)CC1 2125216934 HMRHOCQISSYNLS-VIFPVBQESA-N 318.269 5.405 30 10 DKEE CCCCCCCCC[C@@H](O)c1ncc(C(F)(F)F)s1 2156063941 ACNNSPHOEODYPH-LLVKDONJSA-N 309.397 5.336 30 10 DKEE O=CC1(Cc2cscc2C(F)(F)F)CCCCCCC1 2157199724 HZDPENYKCYQUTG-UHFFFAOYSA-N 304.377 5.239 30 10 DKEE C=CC[C@H](C)[C@@H](NC)c1ccc(-c2ccccc2Cl)s1 2164169188 SHVPIRBUCMUJGJ-YVEFUNNKSA-N 305.874 5.541 30 10 DKEE C=C1CCC(C[C@H](NCCC)c2cc(C)c(Cl)s2)CC1 2165432984 SYYVYYFIHKOTTL-HNNXBMFYSA-N 311.922 5.887 30 10 DKEE SCC1(CN2CCC[C@@H]2c2cccs2)CCCCCC1 2169971181 WTTXUKYGNAYFFB-OAHLLOKOSA-N 309.544 5.155 30 10 DKEE CCCCCCCCNCCC(C(F)(F)F)C(F)(F)F 2183915615 AGUQBTNEBQJUKP-UHFFFAOYSA-N 307.322 5.067 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2cc(Cl)cc(Cl)c2)CC1 2197966851 OCVYCXLEDHZLHL-KRWDZBQOSA-N 313.268 5.712 30 10 DKEE C=C(C)CC[C@H](NCCC)c1scc(Br)c1C 2213768829 HFWICBBKQMRTDT-ZDUSSCGKSA-N 316.308 5.216 30 10 DKEE C=CCCCCCCCNc1cnc(C)c(Br)c1 2220089536 QXIIJAXSIFVHDH-UHFFFAOYSA-N 311.267 5.091 30 10 DKEE CCC#C[C@H](NCC)c1ccc(-c2ccccc2Cl)s1 2233780561 AJIPEJNTNCEQHE-HNNXBMFYSA-N 303.858 5.133 30 10 DKEE C=CCCCCCCCSc1cc(C(=O)O)cc(Cl)n1 2287093027 ZUMBZZGAIHTETQ-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE N#C[C@@H]1CCCCC[C@@H]1SCc1ccccc1Br 2318741099 DTJPPQKNYULXDO-WFASDCNBSA-N 324.287 5.155 30 10 DKEE CCCCc1ccc(C(=O)C=Cc2ccc(OCC)cc2)cc1 2323536282 GLSCCSXHYFOAEK-UHFFFAOYSA-N 308.421 5.324 30 10 DKEE Cc1ccc(-c2csc(NN=Cc3ccccc3C)n2)cc1C 2324080743 YXZOXCSITJMLHU-UHFFFAOYSA-N 321.449 5.181 30 10 DKEE C=CC1(C[C@@H](NC)c2cc(F)c(Cl)cc2Cl)CCC1 2349867180 AKTLGKCWXZFDCZ-CQSZACIVSA-N 302.220 5.139 30 10 DKEE CCCCCCCCCCCC[C@H](NCC)[C@H](C)SC 2361031746 UNLNENHADKTBJX-ROUUACIJSA-N 301.584 6.027 30 10 DKEE C=CC[C@H]1CCCCN(Cc2cc(F)c(Cl)cc2Cl)C1 2377405712 QAWJILKVNXZOPX-LBPRGKRZSA-N 316.247 5.311 30 10 DKEE COc1ccc2c(c1)CC/C(=C/c1ccc(C(C)(C)C)cc1)C2=O 1046395 HFQGRFBRHPTRLZ-LGMDPLHJSA-N 320.432 5.205 30 10 DKEE N#C[C@@H](CCOc1ccc2ccccc2c1)c1cccc(F)c1 57688977 SPHLFBKEMLRSED-GOSISDBHSA-N 305.352 5.055 30 10 DKEE N#C[C@@H](C(=O)C1CCCCCCC1)c1c(Cl)cccc1Cl 86580054 RJBSDAOEXFPHLY-CYBMUJFWSA-N 324.251 5.530 30 10 DKEE CCCCCCCCCCCCCC[C@H](O)c1ccccc1 105328031 PJPWREUFKLTREV-NRFANRHFSA-N 304.518 6.811 30 10 DKEE CCCCCCCCC[C@H](O)c1ccccc1C(F)(F)F 115652213 OOXSTMWPDPCQJC-INIZCTEOSA-N 302.380 5.880 30 10 DKEE CCCCCCCc1onc(N)c1-c1ccc(F)cc1Cl 116909265 ZMQWFLAXLYAEGZ-UHFFFAOYSA-N 310.800 5.229 30 10 DKEE CCSc1cccc(NCC[C@H]2CCC[C@H](C)C2)c1C#N 136670320 FQAVKPPVCJRURT-LSDHHAIUSA-N 302.487 5.299 30 10 DKEE CCCCCCC[C@H](NCCC)[C@H]1SCCS[C@H]1CC 157951889 NGJBSGUQUVNBCN-YESZJQIVSA-N 317.608 5.342 30 10 DKEE CCCCCCCCc1ccc(-c2ccc(Cl)c(O)c2)cc1 204977333 UKOOGBRGVFJZNJ-UHFFFAOYSA-N 316.872 6.616 30 10 DKEE CCCCCCCC[C@@H](NCC)c1cccc2ccsc12 228973609 JNQVJDXVADQGFJ-GOSISDBHSA-N 303.515 6.303 30 10 DKEE C=C(CC)C[C@@H](NCCC)c1ccc(C)c(Br)c1 229758791 JXXNHPHFAQMFLS-MRXNPFEDSA-N 310.279 5.155 30 10 DKEE CC(=NNc1nc(-c2cccs2)cs1)c1ccc(C)cc1 254819463 RZMXMOCECQBJBV-UHFFFAOYSA-N 313.451 5.016 30 10 DKEE CCCCCCCC[C@@]1(C#N)CCCN(C(=O)OC(C)(C)C)C1 304364232 ILONKWPALJTADJ-IBGZPJMESA-N 322.493 5.278 30 10 DKEE N#C[C@@H](Nc1ccc(Cl)cc1)c1cc(Cl)sc1Cl 312580195 KEXRCHMFQZHYOZ-SNVBAGLBSA-N 317.628 5.385 30 10 DKEE C#CCCCCCOc1ccc2ccccc2c1Br 686678065 JDAZNXVUOGRXGS-UHFFFAOYSA-N 317.226 5.175 30 10 DKEE Cc1c(Cl)cc(N=C2N[C@@H](C(C)(C)C)CS2)cc1Cl 690283259 QSUZNAZNRORIKZ-GFCCVEGCSA-N 317.285 5.040 30 10 DKEE CC[C@](C#N)(C(C)C)N(C(=O)OC(C)(C)C)c1cccc(C)c1 698470655 QLRQQOHIOAUHJO-IBGZPJMESA-N 316.445 5.065 30 10 DKEE CCCCCCCCCCCC(=O)NC1(c2ccccc2)CC1 1865985053 YHSHMYVASRNROV-UHFFFAOYSA-N 315.501 5.713 30 10 DKEE C=CCn1c([C@@H](C)Oc2ccc(C(C)C)cc2)nc2ccccc21 1873513733 MLARRUWHCWGNAE-MRXNPFEDSA-N 320.436 5.486 30 10 DKEE C=C([C@H](O)c1ccc(-c2ccc(Cl)cc2)s1)C(C)(C)C 1919672961 QGVKXUZOTFCIKG-INIZCTEOSA-N 306.858 5.704 30 10 DKEE CCCCCCC[C@@]1(O)CC(C)(C)[C@@H]1OCc1ccccc1 1934904785 STKWSSAJUKLCAH-AZUAARDMSA-N 304.474 5.093 30 10 DKEE CCCN(C(=O)OC(C)(C)C)C1(C#N)CCCCCCCCC1 1938721995 IALOXHFNVCIHKF-UHFFFAOYSA-N 322.493 5.420 30 10 DKEE C=C([C@@H](NCCC)c1ccsc1Br)C(C)(C)C 1947450905 GSVSWKHGSTVZIU-GFCCVEGCSA-N 316.308 5.154 30 10 DKEE CCCCCCCN(Cc1ccccc1)Cc1cccs1 1956947599 VLTPAVZRVJWQGU-UHFFFAOYSA-N 301.499 5.721 30 10 DKEE CCCCCCCC[C@@H](NC)C1CC(OCc2ccccc2)C1 1976716407 XOZLKCRYCARENK-XVAXZDLZSA-N 317.517 5.320 30 10 DKEE C=CCCCC[C@]1(O)CCC(C)(C)C[C@H]1OCc1ccccc1 1984552499 BGXYYRZGBVKHFI-CTNGQTDRSA-N 316.485 5.259 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1sc(Br)cc1C 2000384149 FKHGXTDYIVSJHB-ZWNOBZJWSA-N 316.308 5.072 30 10 DKEE C=CC1(CN[C@H](C)c2cc(Cl)sc2Cl)CCCC1 2069159122 DFLSKVNHIXNXTP-SNVBAGLBSA-N 304.286 5.452 30 10 DKEE C#Cc1cc(C2CCCCC2)nn1[C@H](C)c1ccc(CCC)cc1 2070133269 FALARAVGFVQUJD-QGZVFWFLSA-N 320.480 5.474 30 10 DKEE CCCCC#CC[C@@H](NCC)c1cc(Cl)c(Cl)s1 2083437557 RXOSAURBBHYASH-GFCCVEGCSA-N 304.286 5.289 30 10 DKEE CCCCCCC[C@H](NCCC)c1scc(Cl)c1Cl 2096213315 PQOBLVVOVDMXSG-ZDUSSCGKSA-N 322.345 6.456 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(Cc2ccsc2C(F)(F)F)C1 2157654453 OEKQNJFVFIFXAO-FZMZJTMJSA-N 301.377 5.420 30 10 DKEE CCCC[C@](C#N)(CC)[C@](C)(O)c1cc(Cl)ccc1Cl 2164478881 BWIYBEDLFLAEIU-CVEARBPZSA-N 314.256 5.311 30 10 DKEE CCCCCCCCCCCCN1CC(SC(F)F)C1 2196747423 DHIPJEALQYRGAK-UHFFFAOYSA-N 307.494 5.547 30 10 DKEE CCCCCCCCC[C@@H](N)c1cc(F)c(Cl)c(F)c1 2201598424 OZEYGTTYJSEVAG-OAHLLOKOSA-N 303.824 5.759 30 10 DKEE CCCCCCC[C@H](NCC)c1c(Cl)ccc(Cl)c1F 2204267761 WZTXNXXGMFOQDN-AWEZNQCLSA-N 320.279 6.144 30 10 DKEE C=CCCCCCC[C@@H](NC)c1c(F)ccc(F)c1Cl 2206886736 UJNHJXHZUDIZPW-CQSZACIVSA-N 301.808 5.405 30 10 DKEE C=CCCCCCCCC[C@@H](O)c1csc(C(F)F)n1 2207431397 FEKVAFIJBDVEJW-CYBMUJFWSA-N 303.418 5.421 30 10 DKEE CCCCCCCCCCOCC1(Br)CCC1 2216941655 SIUILTITNCIGPT-UHFFFAOYSA-N 305.300 5.461 30 10 DKEE C=CCN(Cc1ccccc1)c1cc(C)ccc1CN[C@H](C)CC 2217116459 JWTPNPBXTARHTJ-LJQANCHMSA-N 322.496 5.076 30 10 DKEE C=CCCCCCCC[C@@H](N)c1cc(C(F)(F)F)cs1 2235517857 BAUAOKAFALXHNM-CYBMUJFWSA-N 305.409 5.683 30 10 DKEE C=CCCCCCCC[C@@H](N)Cc1ccc(Cl)c(Cl)c1 2235519631 RUCSHUIGDDZREN-OAHLLOKOSA-N 314.300 5.780 30 10 DKEE CCC1(C(=O)[C@@H](C#N)c2cccc(Cl)c2Cl)CCCC1 2235757972 PGWNTPVKNXCYJQ-LBPRGKRZSA-N 310.224 5.140 30 10 DKEE Cc1cc(C#N)cc(N[C@H](C)c2cc(Cl)cc(Cl)c2)c1 2238007670 UMGVUGWTLRMHIS-LLVKDONJSA-N 305.208 5.347 30 10 DKEE C=C([C@H](NCC)c1cc(Cl)c(Cl)cc1C)[Si](C)(C)C 2271009849 MOVXXHUTZSAZHU-HNNXBMFYSA-N 316.348 5.386 30 10 DKEE C=CCCCCCCCSc1ncc(C[C@H](N)CC)s1 2287090173 OTMJYKKNWMZERI-CQSZACIVSA-N 312.548 5.042 30 10 DKEE CC[Si](C#CC=CC#C[Si](CC)(CC)CC)(CC)CC 2294823523 NFAAVLBMWXESLY-UHFFFAOYSA-N 304.626 5.645 30 10 DKEE C=C(C)CCOc1c(Cl)cc(CN[C@@H](C)CC)cc1Cl 2296254261 VLVLOTSMSWFXEU-LBPRGKRZSA-N 316.272 5.227 30 10 DKEE C=CCC(CC=C)Sc1nc(Cl)c([C@H](C)NCC)s1 2335240015 YVMZLMRMXYVJQT-JTQLQIEISA-N 316.923 5.080 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NC)c1ccc(Br)cc1CC 2344347752 DWDMEMVIHORDKP-DLBZAZTESA-N 324.306 5.264 30 10 DKEE Cc1ccc(F)c([C@H](C#N)Nc2ccc(Cl)cc2)c1Cl 2360761630 JCWKSTWDJCZVNX-ZDUSSCGKSA-N 309.171 5.118 30 10 DKEE CCSc1cccc(N(C)c2ccc(Cl)cc2)c1C#N 2364682356 FHXYGKZACXGATD-UHFFFAOYSA-N 302.830 5.092 30 10 DKEE COc1c(Cl)cc(C[C@]2(C#N)CCC23CCC3)cc1Cl 2365503615 MJCDMFZDXKRKPV-INIZCTEOSA-N 310.224 5.019 30 10 DKEE COc1ccc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)cc1 37155051 YNZFRVOSMZLQCH-JJRVBVJISA-N 303.471 5.142 30 10 DKEE CCOc1cc(C)c(Cl)cc1C(=O)/C=C/c1ccc(C)cc1 83193211 AFSJVUNJQNDFJH-MDZDMXLPSA-N 314.812 5.252 30 10 DKEE CCCC1CCC(C#N)(Cc2ccccc2Br)CC1 87959478 YLFROFPXVGXCJB-UHFFFAOYSA-N 320.274 5.492 30 10 DKEE CCCC1CCC(C#N)(Cc2nc(C(C)(C)C)cs2)CC1 94981745 IXESDJBNKNUHLC-UHFFFAOYSA-N 304.503 5.483 30 10 DKEE CCCCCCCCN[C@@H](C)c1ccc(OCCCCC)cc1 100048351 TYJBPBKWIMLNDI-IBGZPJMESA-N 319.533 6.267 30 10 DKEE CCCCCCC[C@@H](NC)c1sc(C)cc1Br 114960232 SKBQIUWVTKYQTF-CYBMUJFWSA-N 318.324 5.440 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1cc(Cl)cs1 118823966 MMOXSNJDMPOYEB-MRXNPFEDSA-N 316.938 6.746 30 10 DKEE CCCCCCCCn1cc(SCC#N)c2ccccc21 196231734 HMFKQTJYDNAEFK-UHFFFAOYSA-N 300.471 5.617 30 10 DKEE CCCCCCCCCCCC[C@@H](O)c1sccc1Cl 229286364 IPQLGUGUHGVMLA-MRXNPFEDSA-N 316.938 6.746 30 10 DKEE CCCCCCCCCC(=O)c1cc(F)c(F)cc1Cl 231293184 PWFQOYOKQNEUKP-UHFFFAOYSA-N 302.792 5.942 30 10 DKEE CC1(C)CCC[C@]2(C)C(=O)C=C(Sc3ccccc3)C[C@H]12 261491367 UGZONSHJMRYEFZ-APWZRJJASA-N 300.467 5.468 30 10 DKEE C=CCCCCN[C@H](c1cccs1)c1ccc(Cl)s1 389067607 VGPOWDLPROMKNM-OAHLLOKOSA-N 311.903 5.498 30 10 DKEE CCCCCCCCCCCC[C@@H](O)CC(C)(C)SC 395325101 CKQCUBWBVCBAIV-QGZVFWFLSA-N 302.568 6.190 30 10 DKEE CCCCCCCC(=O)C[C@@H](C)OC(=O)CCCCCCC 514287116 AWETTZFUYNYXQG-QGZVFWFLSA-N 312.494 5.598 30 10 DKEE C/C(=C\C(=N\C1CCCCC1)C1CCCCC1)C1CCCCC1 585669493 TVZIHHYRGBPAFR-IPXPJWBOSA-N 315.545 6.867 30 10 DKEE CCCN(C(=O)OC(C)(C)C)[C@]1(C#N)CCC[C@@H](CC(C)C)C1 698964147 KUQAGOQNZXFBQJ-QFBILLFUSA-N 322.493 5.132 30 10 DKEE Cc1c(Cl)cccc1Oc1ccc(Br)cc1C#N 702672569 XYPAZPSUZDNMHY-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCNc1cccc(NC(=O)OC(C)(C)C)c1C 705730705 XKFGLIJETDJUFZ-UHFFFAOYSA-N 320.477 5.724 30 10 DKEE CCCCCCCCCC[C@@H](O)c1ncc(SC)s1 712891007 TXXCCDMJQZQNOF-CYBMUJFWSA-N 301.521 5.429 30 10 DKEE CC[C@H]1CCC[C@@](C#N)(CCc2cc(Cl)cc(Cl)c2)C1 722121126 VDVWBSWKPYYPEZ-SUMWQHHRSA-N 310.268 6.036 30 10 DKEE Cc1ccc(CO/N=C(/c2ccc(C(C)C)cc2)C2CC2)cc1 821229023 FKKMMWXVAWSRCQ-DQRAZIAOSA-N 307.437 5.449 30 10 DKEE Cc1ccc2c(c1)SC/C(=C/c1ccc(Cl)cc1)C2=O 1614719140 PCIYRDKZLKLAJQ-LCYFTJDESA-N 300.810 5.020 30 10 DKEE C=C(COCc1ccccc1)C(=O)C1CCC(CCCC)CC1 1922077314 MPGBUIAHPRWZRQ-UHFFFAOYSA-N 314.469 5.325 30 10 DKEE CCCCCCCCC(=O)c1nccc(C)c1Br 1926826807 JEGAVADHGAKBRV-UHFFFAOYSA-N 312.251 5.086 30 10 DKEE CC(C)[C@@H](CS)CN(Cc1ccccc1)CC1CCCCC1 1931883263 DGNKWOXMNVGXTN-HXUWFJFHSA-N 319.558 5.271 30 10 DKEE CCCCCCC=CCC=CCCCCCCCCC(=O)OC 1933238706 KZPHKFAQEJZHNO-UHFFFAOYSA-N 322.533 6.753 30 10 DKEE C=C(C)CC[C@H](NCC)c1cc(Br)c(Cl)s1 1978547552 HQCRKGPOXATERR-JTQLQIEISA-N 322.699 5.171 30 10 DKEE CCCCCCCC[C@H](C#N)N(CC(C)C)C(=O)OC(C)(C)C 1995348871 DYYPRHIUZCBLCJ-QGZVFWFLSA-N 324.509 5.522 30 10 DKEE CCCCCCCC[C@@H](C#N)N(C(=O)OC(C)(C)C)C1CCC1 1995348928 FOWQUMLKVOAGNT-KRWDZBQOSA-N 322.493 5.419 30 10 DKEE C=CC1(CC(=O)c2cc(Cl)cc(Br)c2)CCC1 2002613145 MNNAWQGGXSAXQF-UHFFFAOYSA-N 313.622 5.032 30 10 DKEE N#C[C@@]1(Cc2ccc(Cl)c(Br)c2)CCCC12CC2 2053387921 STUCJWFUJNZQFE-HNNXBMFYSA-N 324.649 5.119 30 10 DKEE CSc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)F 2060205963 LFOKZMOPFARCID-UHFFFAOYSA-N 310.209 5.384 30 10 DKEE CCc1c(C(F)F)ccc(C(F)(F)F)c1OC(F)(F)F 2060347295 AMNNZLRXIXUNTN-UHFFFAOYSA-N 308.168 5.104 30 10 DKEE C#Cc1cc(C2CCCC2)nn1[C@@H](CC)c1ccc(C)c(C)c1 2070169122 OSFITRYVMVBNGZ-NRFANRHFSA-N 306.453 5.138 30 10 DKEE C=C(COCCC)[C@@H](NCCC)c1cc(Cl)c(Cl)s1 2099900325 ZQASKSQZQTXYPK-CYBMUJFWSA-N 322.301 5.078 30 10 DKEE C=CCC(C)(C)OC[C@@H](NCC)c1cc(Cl)ccc1Cl 2187280533 KMRRIOMUCOJWIV-OAHLLOKOSA-N 316.272 5.015 30 10 DKEE C=C[C@@H](N[C@H](c1ccco1)c1ccc(Cl)s1)C1CCC1 2197829264 ISPKWYVOGKUBFF-MLGOLLRUSA-N 307.846 5.028 30 10 DKEE C[C@H](Nc1ccc(Cl)c(Cl)c1F)c1ccc(C#N)cc1 2197899152 ZDTWMWVVUCBBEZ-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CCCCCCCCNc1c(C)cc(F)cc1Br 2223587722 VUQIESNLSASHRW-UHFFFAOYSA-N 316.258 5.669 30 10 DKEE CCCCCCCCCOCC(CS)(CCC)CCC 2239541951 HLBGZDUTXKYHDR-UHFFFAOYSA-N 302.568 6.270 30 10 DKEE CCCCCCCCCCCOc1nc(Cl)c(CO)s1 2239550547 WFQJHDWAWAPWAK-UHFFFAOYSA-N 319.898 5.198 30 10 DKEE CCC(=CC(=O)c1cccc(Cl)c1Br)CC 2244751512 DFMBWFTVGMEEKQ-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE CC(C)c1ccc(Nc2c(Br)cccc2C#N)cc1 2269688426 IQYSWRUBMFAKLS-UHFFFAOYSA-N 315.214 5.188 30 10 DKEE C=CCCCCCCCCOc1cc(Cl)sc1C=O 2272660168 IIULFWXTXXWGKL-UHFFFAOYSA-N 300.851 5.510 30 10 DKEE C=C(C)CCCC[C@@H](NCCC)c1cc(Cl)cc(Cl)c1 2287471452 AZYUXIXQNOBNRY-QGZVFWFLSA-N 314.300 6.171 30 10 DKEE O[C@H](CC#CC1CCCC1)c1cc(-c2cccs2)cs1 2289924483 KNQPCCLQRYMHHI-OAHLLOKOSA-N 302.464 5.094 30 10 DKEE C=C([C@H](OCCCN)c1cccc(Cl)c1Cl)C(C)(C)C 2293347855 IPFRAZZMHNBEDL-HNNXBMFYSA-N 316.272 5.002 30 10 DKEE C=CCCCC[C@@H](OCCCN)c1ccc(Cl)cc1Cl 2294419781 NUSGWGCEDUEORZ-MRXNPFEDSA-N 316.272 5.146 30 10 DKEE CCCCCCCCC[C@](C)(O)[C@@H](N)c1cscc1Cl 2295676272 JGXPVUVXBLQLKO-HOTGVXAUSA-N 317.926 5.293 30 10 DKEE C=CC[C@@H](C)Sc1ccnc2ccc(Br)cc12 2298937123 WIORXBYFVJJTII-SNVBAGLBSA-N 308.244 5.054 30 10 DKEE CC(=NOCc1cccc2ccccc12)c1ccc(Cl)cc1 2330455748 OEUOGYBINKWIFB-UHFFFAOYSA-N 309.796 5.434 30 10 DKEE C=CCC(CC=C)[C@H](NCC)c1cc(C)cc(Br)c1 2338744254 MJTIMBOBMZHZPG-KRWDZBQOSA-N 322.290 5.177 30 10 DKEE C[C@H]1CCC[C@@](C#N)(Cc2cc(F)c(Cl)cc2Cl)C1 2349797237 ORSKIEXRGSHYDW-BONVTDFDSA-N 300.204 5.395 30 10 DKEE OCCCCCCCC#Cc1cc(Cl)c(Cl)cc1Cl 2353044883 QWKOUCFFEFSSRQ-UHFFFAOYSA-N 319.659 5.331 30 10 DKEE CC#CCCCC[C@H](CCc1cc(Cl)cc(Cl)c1)NC 2366804883 ZGHRTWDZUYCVIL-QGZVFWFLSA-N 312.284 5.098 30 10 DKEE C=CC[C@H](C)[C@@H](CCc1cc(Cl)cc(Cl)c1)NCCC 2366806349 SGZAPTSYIXYEBU-SUMWQHHRSA-N 314.300 5.506 30 10 DKEE CC[C@H](CS)CO[C@@H](CC)c1ccc(C(F)(F)F)cc1 2369777979 LHDSPZOXRFQWOZ-FZMZJTMJSA-N 306.393 5.129 30 10 DKEE C=CC[C@](C)(CC)[C@@H](NCCC)c1csc(C(F)F)c1 2370481451 DRBGNJMQBBDZKH-HOCLYGCPSA-N 301.446 5.719 30 10 DKEE CC#CCCCC[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2377333107 WJKRTZMYDWPGFP-INIZCTEOSA-N 316.247 5.367 30 10 DKEE Cc1ccccc1N/N=C/c1ccc2cc3ccccc3cc2c1 59166931 ICXPMOBYVABBBD-HZHRSRAPSA-N 310.400 5.747 30 10 DKEE CC/C=C\C/C=C\C[C@H]1O[C@H]1CCCCCCCCCCC 104899463 HQCGSJRACGWHOF-LXOZGROOSA-N 306.534 6.977 30 10 DKEE biogenic CCCCCCC[C@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 109755551 MSWWAVMODMKLJZ-KBPBESRZSA-N 316.316 6.393 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(Cl)c(Cl)c1 115062766 YTNJFZIWGSTAEU-MRXNPFEDSA-N 302.289 6.005 30 10 DKEE CCCCCCCCCC[C@H](NN)c1cccc(Cl)c1F 126541117 CBCHPRONRHAPSZ-INIZCTEOSA-N 314.876 5.514 30 10 DKEE CCCCCCCCCCn1c(S)nnc1-c1cccs1 129432134 UVYOYQZEUDWJGZ-UHFFFAOYSA-N 323.531 5.436 30 10 DKEE CCSc1cccc(N(C)Cc2ccc(Cl)s2)c1C#N 136636107 KPQRRCXEDXKJKK-UHFFFAOYSA-N 322.886 5.022 30 10 DKEE CCCCCCCC[C@@H](CCCCCC)CS(=O)(=O)O 197040380 QMSYAOBYGPQUQF-MRXNPFEDSA-N 306.512 5.211 30 10 DKEE Cc1cc(Cl)ccc1Oc1ccc(C#N)cc1Br 213365463 IXNLQXNCSZUQOT-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE C=CCSc1ccccc1N[C@@H](C)c1ccc(Cl)c(F)c1 213839902 UHSHHDHAPQOLFQ-LBPRGKRZSA-N 321.848 5.930 30 10 DKEE Cc1cccc(C#N)c1Nc1ccc(Br)cc1Cl 221002137 CHMUNYRAJSYWHN-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CCCC[C@H](CCC)Nc1cc(Br)ccc1C#N 226032757 ATJKBWLKLJDYBZ-AWEZNQCLSA-N 309.251 5.092 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)c(O)c(Cl)c1 232393643 YYRZDJBJHBGWJC-NSHDSACASA-N 304.261 5.860 30 10 DKEE Cc1ccc(Cl)c(Nc2ccc(C#N)c(F)c2F)c1Cl 235857844 DYVWNOMRGDPUTK-UHFFFAOYSA-N 313.134 5.195 30 10 DKEE Clc1ccc(C=Nc2cccc3ccccc23)c(Cl)c1 1084381221 BRXCPSBDFLHKDN-UHFFFAOYSA-N 300.188 5.897 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C#N)C(C)(C)C1CCCC1 1938420553 LEVIZDNNSXHCRM-GOEBONIOSA-N 322.493 5.131 30 10 DKEE C=CCCCC[C@H](O)c1cc(C)ccc1NC(=O)OC(C)(C)C 1984556117 YUSQAIJEXCJATD-KRWDZBQOSA-N 319.445 5.122 30 10 DKEE CCCCCCCCCC(=O)c1cc(Br)sn1 2007627148 BKKQYBYPGWEHFN-UHFFFAOYSA-N 318.280 5.229 30 10 DKEE CC(C)=C(C)C(=O)c1ccc2cc(Br)ccc2c1 2072424181 KLFPOEUJWFYHSB-UHFFFAOYSA-N 303.199 5.141 30 10 DKEE C=CCCCCCCCCC(=O)c1occc1Br 2086278317 GWJTZCXCACDPFU-UHFFFAOYSA-N 313.235 5.532 30 10 DKEE Clc1cc(NCC#CC2CCCCC2)cc(Cl)c1Cl 2093462986 PVDWTOXXQRQUSJ-UHFFFAOYSA-N 316.659 5.642 30 10 DKEE C#CCCCCC[C@H](NC)c1c(Cl)ccc(Cl)c1Cl 2107823301 SGCYKOZISBTUAE-ZDUSSCGKSA-N 318.675 5.491 30 10 DKEE CSc1ccccc1[C@H](C)Nc1ccc(C#N)cc1Cl 2152743837 KPDWKBWPXFLEAE-NSHDSACASA-N 302.830 5.107 30 10 DKEE CC[C@@H]1CCC[C@@](C#N)(Cc2cc(C(F)(F)F)cs2)C1 2161275681 YZAJKNRPCNNEIJ-RISCZKNCSA-N 301.377 5.420 30 10 DKEE CC1(C)C[C@](C#N)(CCc2cc(Cl)cc(Cl)c2)CCO1 2161611815 VSYWGHKDBINQCS-INIZCTEOSA-N 312.240 5.025 30 10 DKEE CCCCCCC[C@@H](NCC)c1cc(C(F)(F)F)cs1 2164252868 SWZINHSJYYWPOO-CYBMUJFWSA-N 307.425 5.778 30 10 DKEE C=CC[C@](C)(NCc1sc2ccccc2c1Cl)C(F)F 2182196464 YIBRGVQVTSGMLV-HNNXBMFYSA-N 315.816 5.244 30 10 DKEE C=CCC(C)(C)OC[C@H](NCC)c1ccc(Cl)cc1Cl 2187282623 CSSJTDLOPSYFTI-HNNXBMFYSA-N 316.272 5.015 30 10 DKEE C=CCC[C@@H](C)[C@@H](NC)c1cc(Cl)cc(C(F)(F)F)c1 2200838766 AFEXOCMWFMBPTR-QMTHXVAHSA-N 305.771 5.222 30 10 DKEE CCCCCCCCC[C@@H](N)c1sc(Cl)cc1OC 2278334007 YQRBIEDPXPICQT-GFCCVEGCSA-N 303.899 5.551 30 10 DKEE Cc1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)cc1C 2293215414 RJFZWOKZJHLKRZ-UHFFFAOYSA-N 320.219 5.419 30 10 DKEE CCCCCCC[C@@H](NC)c1sc(C(F)(F)F)cc1C 2295002527 XVXGMTPTULQUBS-GFCCVEGCSA-N 307.425 5.696 30 10 DKEE CCCCCCCC[C@@H](O)[C@@H](N)c1cc2sccc2s1 2295517200 KNESAWIVKMNOPJ-MLGOLLRUSA-N 311.516 5.074 30 10 DKEE O=[N+]([O-])c1cccc(C=N[C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)c1 2297451854 PLBLXJMHUYUZIW-FFZOFVMBSA-N 324.424 5.073 30 10 DKEE C[C@H]1[C@@H]2C[C@H](C(=C3C[C@@H]4C[C@@H]3[C@H](C)C4(C)C)C2=NO)C1(C)C 2297680982 CCDHTPVHZBYPLL-SFYOKDCNSA-N 301.474 5.127 30 10 DKEE C=CC[C@](C)(CC)C(=O)c1ccc(Br)c(Cl)c1 2304058949 LMAPTBWBXOAUKI-AWEZNQCLSA-N 315.638 5.278 30 10 DKEE C=C1CC(C[C@@H](NCC)c2c(Cl)cc(F)cc2Cl)C1 2340798024 JCPBZRMTRCYQHV-CQSZACIVSA-N 302.220 5.139 30 10 DKEE C=CCC(CC=C)O[C@@H](C)C(=O)c1ccc(Cl)cc1Cl 2360214659 KXHIAYGAFQZHEC-NSHDSACASA-N 313.224 5.102 30 10 DKEE Cc1cc(SCc2ccc(C#N)cc2)nc2c(C)cccc12 4801512 PBBONWMMYLCXQF-UHFFFAOYSA-N 304.418 5.016 30 10 DKEE C=CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 20754597 IDVMBNGZFZMBSR-DBXWQHBBSA-N 321.395 5.217 30 10 DKEE CCOc1cc(C)c(Cl)cc1C(=O)/C=C/c1sccc1C 83193219 BNMMTBURWCKPLV-AATRIKPKSA-N 320.841 5.313 30 10 DKEE COc1ccc(/C=C/C(=O)c2ccc(C)c3ccccc23)cc1 83204427 PCQKFDAVXWSHRQ-GXDHUFHOSA-N 302.373 5.053 30 10 DKEE CCCCCCCCOc1cccc(CNCCCCCC)c1 100048241 JWQOMWYMBBQKTP-UHFFFAOYSA-N 319.533 6.096 30 10 DKEE CCCCCCCNC(=O)/C(=C\c1ccccc1)c1ccccc1 104850654 GJEIVBIQINEMNN-UZYVYHOESA-N 321.464 5.314 30 10 DKEE CCCCCCC[C@H](C)Nc1ccc(-c2nccs2)cc1 109900584 DFKBMAZDAAEWII-HNNXBMFYSA-N 302.487 5.971 30 10 DKEE C=C1CC[C@@H]2C[C@H]1[C@@H](c1ccc(C)cc1)O[C@@]2(C)CC=C(C)C 136546587 WKGNFUTUIDWFSK-YSFYHYPLSA-N 310.481 6.154 30 10 DKEE CCCCCCC[C@H](NC)c1c(F)c(F)c(F)c(F)c1F 157990288 VXQDBXQGGBYVOG-VIFPVBQESA-N 309.322 5.003 30 10 DKEE CCCCCCCCNCc1ccc(OC(F)(F)F)cc1 159171937 BYVLDLTZAMOWOD-UHFFFAOYSA-N 303.368 5.035 30 10 DKEE CCCCCCC[C@H](C)Nc1cc(Cl)cc(C(F)(F)F)c1 169012045 SXOGQHRIDXSYQI-LBPRGKRZSA-N 321.814 6.520 30 10 DKEE Cc1ccc(C)c(Sc2ccc(C#N)cc2Br)c1 213453656 GOLIXMBFDVGUGU-UHFFFAOYSA-N 318.239 5.089 30 10 DKEE Cc1cc(OCCCCC(C)(C)C#N)cc(C)c1Br 235757403 DCRPCQJHMAAJOK-UHFFFAOYSA-N 324.262 5.165 30 10 DKEE CC[C@H](C)N(C(=O)OC(C)(C)C)[C@]1(C#N)CCCCC[C@@H]1CC 710717762 IQODSZUIYJLEOU-BXWFABGCSA-N 322.493 5.275 30 10 DKEE C=C(c1ccccc1)[C@@H](NCC)c1scc(Cl)c1Cl 1888702668 YYHKWTQRTJBWAT-CQSZACIVSA-N 312.265 5.419 30 10 DKEE CC[C@@H](C)N(C(=O)OC(C)(C)C)[C@@]1(C#N)CCCCC12CCC2 1938737590 GEOUDAFJFDNKBZ-DNVCBOLYSA-N 320.477 5.029 30 10 DKEE CCC1CCC([C@@H](C#N)N(C(=O)OC(C)(C)C)[C@@H](C)CC)CC1 1980213478 ZDDALOQUEXLQLO-ZGRYLRDCSA-N 322.493 5.131 30 10 DKEE C=C(C)CN(Cc1ccccc1)[C@H](c1ccccc1)C(F)(F)F 1990810155 QWLGWNQBEUNWRF-GOSISDBHSA-N 319.370 5.368 30 10 DKEE C=CCCCCCCCC[C@H](CCOCc1ccccc1)NC 1995326689 ASEZPWYTICICHY-OAQYLSRUSA-N 317.517 5.488 30 10 DKEE C=C([C@H](NCC)c1cccc(C)c1Br)C(C)(C)C 2035419283 OJTUWANRRCVEQY-HNNXBMFYSA-N 310.279 5.010 30 10 DKEE CCCCCCCCC[C@H](NC)c1cc(Br)co1 2049662941 SZEAKPZEKJROPP-AWEZNQCLSA-N 316.283 5.443 30 10 DKEE C#CCCCCC[C@H](NCCC)c1cc(Cl)c(Cl)s1 2099892915 LGNWAOMIRGMGSQ-ZDUSSCGKSA-N 318.313 5.679 30 10 DKEE C[C@@H](c1ccc(Br)cc1)[C@@]1(C=O)CCCCC1(C)C 2117037698 VBNXWMGLZRBGGC-GUYCJALGSA-N 323.274 5.338 30 10 DKEE C#CCCCCC[C@@H](NCC)c1cc(C(F)(F)F)cs1 2164258619 WOFBILUJXZYADN-CYBMUJFWSA-N 303.393 5.001 30 10 DKEE C=CCCCCCCCC(=O)c1ccc(C)c(Br)c1 2227278887 DUUKCWHPIQYJJC-UHFFFAOYSA-N 323.274 5.857 30 10 DKEE C=CC[C@@H](CN[C@@H](C)CC)Cc1ccc(Cl)cc1Cl 2231483210 JVTMLGICUFUEMU-QWHCGFSZSA-N 300.273 5.116 30 10 DKEE N#Cc1cc(F)c(SC[C@@H]2CCCCC2(F)F)cc1Cl 2283215706 ZPMGXBMSPNFONH-JTQLQIEISA-N 319.779 5.268 30 10 DKEE C=CCCCCCCCSc1c(CNC)sc(C)c1C 2287063053 MIWHSZOTUPHOMR-UHFFFAOYSA-N 311.560 5.703 30 10 DKEE C=CCCCCCCCSc1ccc(F)c(Cl)c1CN 2287074883 KONGLFUDFHFNTN-UHFFFAOYSA-N 315.885 5.557 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NCC)c1ccc(Br)s1 2304060275 VZLWHENGMBYXJY-UONOGXRCSA-N 316.308 5.154 30 10 DKEE C=CC[C@](C)(CC)[C@@H](N)c1cc(Cl)cc(Cl)c1Cl 2321101670 KZCXPVTXGVFBEA-KBPBESRZSA-N 306.664 5.639 30 10 DKEE C=CC[C@](C)(CC)[C@H](NC)c1cc(Br)ccc1C 2321144228 GQLAIRGDLDNATL-CVEARBPZSA-N 310.279 5.010 30 10 DKEE C=CCCCCCCCNc1ccc(C)c(C)c1Br 2336623376 IJRUVJKQUGNKJT-UHFFFAOYSA-N 324.306 6.004 30 10 DKEE C=C(C)CC[C@@H](NCCC)c1cc(F)c(Cl)cc1Cl 2349841751 UQUKAHCDKURHPI-OAHLLOKOSA-N 304.236 5.530 30 10 DKEE N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2 14463755 GHRFCSRKFMQJFB-GREBRCKQSA-N 322.411 5.538 30 10 DKEE C=CCOc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 14549885 IKBBIMDKUDFHDE-ABSDTBQOSA-N 321.395 5.217 30 10 DKEE COc1cccc(S[C@@H]2C[C@H](C(C)(C)C)CC[C@H]2C#N)c1 37154676 UQGMWYPVHRHKJK-JJRVBVJISA-N 303.471 5.142 30 10 DKEE CCCCCCCCOCC(=O)c1ccc(Cl)cc1Cl 59526374 RIHWYJHWVOXLNO-UHFFFAOYSA-N 317.256 5.553 30 10 DKEE C=CCOc1ccc2ccccc2c1CNCCC1=CCCCC1 66115797 JWHWSQLOIGFVBQ-UHFFFAOYSA-N 321.464 5.385 30 10 DKEE CC[C@H]1CCC[C@](C#N)(Nc2ccc(Br)cc2)CC1 86914096 WOSACSOZZYHSHV-BBRMVZONSA-N 321.262 5.114 30 10 DKEE Cc1cc(C(C)(C)C)ccc1OCC1(CS)CCCCC1 94584347 AAJHBPZIHXAVDB-UHFFFAOYSA-N 306.515 5.552 30 10 DKEE CCCCCCC[C@@H](C)NCc1ccccc1Br 103976549 LLICKQMMLFKYGN-CQSZACIVSA-N 312.295 5.288 30 10 DKEE N#Cc1ccc(Sc2ccccc2Br)cc1Cl 110354199 FELJBXQWABYONJ-UHFFFAOYSA-N 324.630 5.125 30 10 DKEE CCCCCCCCCC(=O)c1ccc(Cl)cc1Cl 115062278 ZAIWBCSDUJIAJY-UHFFFAOYSA-N 301.257 6.317 30 10 DKEE CCCCCCCC[C@H](Cc1cccc(F)c1Cl)NCC 122348475 LBGRYSUJQFNWCR-MRXNPFEDSA-N 313.888 5.750 30 10 DKEE CCCCCCCCCC(=O)c1cscc1Br 168367327 UDJSVTDVFMOBOI-UHFFFAOYSA-N 317.292 5.834 30 10 DKEE Cc1cc(Cl)ccc1Oc1cccc(Br)c1C#N 168621017 ZYCWCIIZQVCFNU-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCCOc1ccccc1/C=N/Nc1ccc(C)cc1 169877652 DSROALOMTVCJKR-OQKWZONESA-N 324.468 5.790 30 10 DKEE N#CC[C@@H](Nc1cc(Cl)c(F)c(Cl)c1)c1ccccc1 232036014 JELDAAGGQGHOQV-CQSZACIVSA-N 309.171 5.199 30 10 DKEE C[C@H]1CCc2c(sc(N=C/C=C\c3ccccc3)c2C#N)C1 254395915 FGQLBGBXYBWIOX-RBGMGWHDSA-N 306.434 5.160 30 10 DKEE N#Cc1ccccc1[C@H]1CCN(Cc2ccccc2)c2ccccc21 616589344 MDBAMMUFLNLNDJ-OAQYLSRUSA-N 324.427 5.100 30 10 DKEE CC(C)(C)C[C@@](C)(C#N)N(C(=O)OC(C)(C)C)c1ccccc1 698489523 POQQZIGLNXPFDA-IBGZPJMESA-N 316.445 5.147 30 10 DKEE C=CC[C@H](C)[C@H](NCCC)c1cc(C)c(Br)s1 715720666 PFPKHBSCTUUMCF-GWCFXTLKSA-N 316.308 5.072 30 10 DKEE Clc1ccc(C#Cc2c(Cl)cccc2Cl)c(Cl)c1 725416027 UDGGSJHUCPIGOK-UHFFFAOYSA-N 316.014 5.700 30 10 DKEE C=C(C)CCC[C@@H](C)CCN(N=C(C)CC)c1ccccc1 1081817137 VEWYJIFZRRHJQD-GOSISDBHSA-N 300.490 6.052 30 10 DKEE N#C[C@H](CN(Cc1ccccc1)Cc1ccco1)C1CCCCC1 1915088152 GUDLVNQMRXPSGI-HXUWFJFHSA-N 322.452 5.002 30 10 DKEE CCCCCCCNCc1sc(CC)cc1Br 1942131314 YCNQGAWPQPWYAZ-UHFFFAOYSA-N 318.324 5.133 30 10 DKEE C=C(C(C)(C)C)[C@@]1(N)CCC(C)(C)C[C@H]1OCc1ccccc1 1977508264 VEPHDXOPKNIGFP-NQIIRXRSSA-N 315.501 5.082 30 10 DKEE CC(C)N(C(=O)OC(C)(C)C)[C@](C)(C#N)[C@H]1CCCC(C)(C)C1 1980285588 IERQFOZFLGHYQN-HNAYVOBHSA-N 322.493 5.131 30 10 DKEE CCCCCCCCCN(Cc1ccccc1)C(C)(C)COC 1990778785 MIYQCKMBGPVRNF-UHFFFAOYSA-N 319.533 5.664 30 10 DKEE C=CCCCCCC[C@@H](N)c1cc(C)c(Br)s1 2026013412 YAPWDMAEQWOJNU-GFCCVEGCSA-N 316.308 5.345 30 10 DKEE C[C@H](c1ccc(Br)cc1)[C@@]1(C#N)CCC12CCC2 2047957365 ZKIPKWHOYOIJAN-WBMJQRKESA-N 304.231 5.027 30 10 DKEE CC1(C)CCC[C@](C#N)(Cc2cccc(Br)c2)C1 2049514598 JUBFBMORVBEBNC-INIZCTEOSA-N 306.247 5.102 30 10 DKEE Cc1ccc(C(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 2053612864 ROSQYDOUWXXFIW-UHFFFAOYSA-N 323.392 5.097 30 10 DKEE CCOc1cc(C(F)(F)F)cc(C(F)F)c1C(F)(F)F 2060222480 RFWBLETXCMELEF-UHFFFAOYSA-N 308.168 5.061 30 10 DKEE C[C@@H]1CC=C(C(=O)c2ccc(C(F)(F)F)c(Cl)c2)CC1 2181255294 VLTOPLOFTYQSID-SECBINFHSA-N 302.723 5.288 30 10 DKEE CCCCCCCN(C)Cc1csc(-c2cccs2)n1 2196691128 ALGSBIIDCBSZRO-UHFFFAOYSA-N 308.516 5.274 30 10 DKEE CCc1cscc1C(=O)[C@@H](C#N)c1cc(Cl)cc(Cl)c1 2203951614 MTKODSUIOWPHSG-ZDUSSCGKSA-N 324.232 5.107 30 10 DKEE C=CCCCCCC[C@@H](NCCC)C(F)(F)C(F)(F)F 2206897264 ARHBSUQUUCBNGB-GFCCVEGCSA-N 301.343 5.079 30 10 DKEE C=CCCCCCCCO[C@@](C)(CC)CNCc1ccccc1 2211145248 JTONBRQCVDCGEF-NRFANRHFSA-N 317.517 5.488 30 10 DKEE C=C(CC)C[C@@H](Cc1cc(Cl)ccc1Cl)NCCC 2225665696 HJRIXEDOBXUXSU-HNNXBMFYSA-N 300.273 5.260 30 10 DKEE C#C[C@H](CC(C)C)N[C@H](c1cccs1)c1ccc(Cl)s1 2234702982 OGEGJHKFUDTSMW-MLGOLLRUSA-N 323.914 5.190 30 10 DKEE C=CCCCCCCCC(=O)Cc1c(Cl)cccc1Cl 2235527243 SXOLXUUKKGXVIB-UHFFFAOYSA-N 313.268 6.022 30 10 DKEE CCCCCCCC[C@@](C)(O)c1nc(C(C)(F)F)cs1 2240617289 CNZSQCFZGITRHV-CQSZACIVSA-N 305.434 5.213 30 10 DKEE C=C(C)CN(Cc1ccccc1)c1ccc([C@@H](C)NCC)c(C)c1 2248951619 XLQDSSHHVBJNSV-LJQANCHMSA-N 322.496 5.248 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1csc(C)c1Br 2303639807 SPZRAHSNROEQRG-YGRLFVJLSA-N 316.308 5.072 30 10 DKEE O=C(C1=CCCCCCC1)c1c(Cl)cc(F)cc1Cl 2340801156 JGORUGHAWDFBLW-UHFFFAOYSA-N 301.188 5.596 30 10 DKEE C=CC[C@H]1CCCC[C@H]1NCc1ccc(Cl)c(Cl)c1C 2364011174 QTXYIRZMHIYJOE-XJKSGUPXSA-N 312.284 5.526 30 10 DKEE C=CCC(CC=C)[C@H](O)c1ccc(SC(F)(F)F)cc1 2364091542 FVDNQTSQEHEGPJ-AWEZNQCLSA-N 302.361 5.100 30 10 DKEE CCCCCCCCCNCCc1cc(Cl)cc(Cl)c1 2366931822 JCFCCPULPPAVRW-UHFFFAOYSA-N 316.316 5.876 30 10 DKEE C=CC[C@@](C)(CC)[C@H](Cc1cc(F)c(Cl)cc1Cl)NC 2377410722 APPIMBPEBOJGKP-JKSUJKDBSA-N 318.263 5.255 30 10 DKEE C[C@H](Nc1ccc(C#N)cc1F)c1ccc(Cl)cc1Cl 37412544 JRFWHNHYSGEHTE-VIFPVBQESA-N 309.171 5.177 30 10 DKEE CC(C)Oc1ccc(Cl)cc1C(=O)/C=C/c1ccccc1 83205141 UKLWNZOKCCWQIB-CSKARUKUSA-N 300.785 5.023 30 10 DKEE CC(C)(CS)COc1ccc(-c2ccccc2)cc1Cl 94582640 YSIXTMXNMJHCOK-UHFFFAOYSA-N 306.858 5.342 30 10 DKEE CCCCCCCCC[C@H](O)Cc1nc2ccccc2s1 117691578 KBHMGAHMQXLSOU-HNNXBMFYSA-N 305.487 5.340 30 10 DKEE CCCCCCCC[C@@H](CNCCC)c1ccccc1Cl 118863708 JMIQARREFAWKKB-KRWDZBQOSA-N 309.925 6.174 30 10 DKEE CCCCCCCCCC[C@@H](NN)c1ccc(Cl)c(C)c1 122653144 RFAWDQQJFUEDOS-GOSISDBHSA-N 310.913 5.684 30 10 DKEE CCCCCCCCCCCC(=O)Cc1ccncc1Cl 123474784 SSVJBLQKMVZHGD-UHFFFAOYSA-N 309.881 5.768 30 10 DKEE CCCCCCCCCC[C@H](Cc1ccccc1Cl)NN 125878286 VVBRQHRVNSVQKY-QGZVFWFLSA-N 310.913 5.245 30 10 DKEE CCC[C@@H](N[C@H](C)c1ccc(C#N)s1)c1ccc(F)cc1F 135084376 CFVQNQXDTRJLQE-BDJLRTHQSA-N 320.408 5.090 30 10 DKEE CCCCCCC[C@@H](Cc1cc(Br)cs1)NC 162917757 JPSKFWIHJUSDQV-ZDUSSCGKSA-N 318.324 5.002 30 10 DKEE C=CCCCCCC/C=C/C=C/[C@H](C)NC(=O)OC(C)(C)C 212383571 UXKALWRJRKKTTH-XNCUZWEMSA-N 307.478 5.539 30 10 DKEE C=CCC(=C)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 214409863 LTZWGGKLOAXUOR-WBVHZDCISA-N 301.430 5.021 30 10 DKEE CCCCCCCNc1cc(Br)c(F)cc1C 232098877 CKIUTVNVCJCEDO-UHFFFAOYSA-N 302.231 5.279 30 10 DKEE CCCCCCC[C@H](C)Nc1cnc(Br)c(C)c1 232951746 OSUZNXNYTWWROA-ZDUSSCGKSA-N 313.283 5.313 30 10 DKEE C=CCCCCC[C@H](NCCC)c1ncc(Cl)cc1Cl 233124929 VIXQYHGGDKNHCJ-HNNXBMFYSA-N 315.288 5.566 30 10 DKEE C=CCCCCC[C@@H](NC)c1ccc(OCc2ccccc2)cc1 310440216 PLVDCHJVQNHAIO-JOCHJYFZSA-N 323.480 5.663 30 10 DKEE CC1(C)CCC[C@@H](Nc2cc(Br)cc(C#N)c2)CC1 697638504 OHRNJNYYCHLAOV-CQSZACIVSA-N 321.262 5.092 30 10 DKEE CCC[C@H]1CCC[C@@](C#N)(N(C(=O)OC(C)(C)C)C2CC2)CC1 698879428 QQZABZAHIRETQH-HNAYVOBHSA-N 320.477 5.029 30 10 DKEE CCCCCCCN[C@H](C)c1sccc1Br 703735356 RWKCMGZODBAJET-LLVKDONJSA-N 304.297 5.132 30 10 DKEE C[C@H]1C[C@@H](C)C[C@H]([C@@H](C#N)c2ccc(Br)cc2)C1 719362930 XZVODJXPEZFLOE-DMEJVMROSA-N 306.247 5.129 30 10 DKEE CCCCCCCCNCCc1cc(Cl)cc(Cl)c1 722113005 XESQTMPRNHXTQP-UHFFFAOYSA-N 302.289 5.486 30 10 DKEE CC/C(=N\OCc1cccc2ccccc12)c1ccc(CC)cc1 821217659 GLDPSDMMHXIJQT-GHVJWSGMSA-N 317.432 5.733 30 10 DKEE CCCOc1cccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)c1 1874597030 QFDYKHQCUVBHLR-NTEUORMPSA-N 322.448 5.669 30 10 DKEE C=C(C)COc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1 1874604267 CWFLSEZRTSGYAL-NTEUORMPSA-N 306.405 5.100 30 10 DKEE CCCCCCCCCC[S@](=N)(=O)c1ccc(Cl)cc1 1917865386 CLDWJGQLTCMINY-FQEVSTJZSA-N 315.910 5.886 30 10 DKEE C=C([C@@H](NCCC)c1cc2sccc2s1)[Si](C)(C)C 1922866861 BLGUDTCITDFZFS-OAHLLOKOSA-N 309.576 5.437 30 10 DKEE C[C@@H](N(Cc1ccccc1)C[C@H](CS)C1CCC1)C(C)(C)C 1931998750 PGPIUDXBBHKMGV-VQIMIIECSA-N 319.558 5.269 30 10 DKEE Cc1sc(C)c(C(=O)C2=CC[C@H](C)CC2)c1Br 1940495748 UOZSTHOJZMUBKZ-QMMMGPOBSA-N 313.260 5.057 30 10 DKEE C=CCCC[C@@H](NCCC)c1cc(Br)c(C)s1 2000364290 GIFPETDWUKHLBY-CYBMUJFWSA-N 316.308 5.216 30 10 DKEE C=CCCCCC(=O)c1cc(Cl)c(C)cc1Br 2009491958 OMTLHZGGRQWBAT-UHFFFAOYSA-N 315.638 5.340 30 10 DKEE C=C(C[C@@H](NCC)c1ccc(Br)cc1)C(C)(C)C 2050519778 UACGBZMJHRNFNI-OAHLLOKOSA-N 310.279 5.092 30 10 DKEE C=C(C)C[C@@H](O)c1ccc(-c2cccc(Br)c2)s1 2051372023 MZZUDXZTVYDSFW-CYBMUJFWSA-N 323.255 5.177 30 10 DKEE C=CC[C@@](C)(NCc1cc(Cl)sc1Cl)C(F)(F)F 2061759960 INNGQQZZPDKKRT-SNVBAGLBSA-N 318.191 5.042 30 10 DKEE C#CC[C@@H](C)C[C@@H](NCCC)c1cc(Cl)sc1Cl 2076089692 WSPYGPHHFCJKLK-ZYHUDNBSSA-N 304.286 5.145 30 10 DKEE FC(F)c1ccc(OC(F)(F)F)c(SC(F)(F)F)c1 2081022099 RMXBZYWAVVPBOX-UHFFFAOYSA-N 312.181 5.135 30 10 DKEE C[C@@H](CC1=CCCCC1)Nc1ccc(Br)cc1C#N 2105125424 MWXWMCCFVJRXIH-LBPRGKRZSA-N 319.246 5.012 30 10 DKEE CC1(C)CCC[C@@](C=O)(Cc2snc(Cl)c2Cl)CC1 2110934290 HJAJUPKJEHWLNQ-AWEZNQCLSA-N 320.285 5.168 30 10 DKEE C=CC1(C[C@H](NCC)c2cc(C)ccc2Br)CCC1 2111710363 FCLOSGVFCDODJK-INIZCTEOSA-N 322.290 5.155 30 10 DKEE C=CC1(COc2ccc3cc(Br)ccc3c2)CCC1 2111710487 GGJMSAQAKYGNLZ-UHFFFAOYSA-N 317.226 5.337 30 10 DKEE C=CCC[C@H](C)[C@@H](NCCC)c1csc(C(F)(F)F)c1 2158324262 OMYIOSHFCDGZHP-SMDDNHRTSA-N 305.409 5.410 30 10 DKEE CCCCCCCCCN(C)Cc1csc(C(F)F)n1 2195537179 MFPXKEDLGKFBSW-UHFFFAOYSA-N 304.450 5.263 30 10 DKEE C=CCC[C@H](C)[C@@H](NCC)c1ccc(-c2cccs2)s1 2205873050 DXCSAKJPGWYSAS-SUMWQHHRSA-N 305.512 5.730 30 10 DKEE CCCCCCCC[C@H](C)Nc1ccc(Cl)nc1Cl 2231935087 OKOVJMQSDZLMMT-LBPRGKRZSA-N 303.277 5.939 30 10 DKEE C=C[C@@H](C)C[C@@H](NCC)c1cc(Br)cc(C(C)C)c1 2265989211 FNBYLIKTEZBCJT-CXAGYDPISA-N 324.306 5.435 30 10 DKEE CC(C)c1ccccc1Oc1c(Br)cccc1C#N 2269721973 BILKPBDFDZLPGX-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE C=CCCCCCCNCc1cc(Cl)c(OC)cc1Cl 2281588592 YFUTYSDPHPLHTR-UHFFFAOYSA-N 316.272 5.228 30 10 DKEE C=C(C)CCCC[C@H](O)c1ccc(C(F)(F)F)cc1Cl 2287415299 UNGWEYNADQRHCR-AWEZNQCLSA-N 306.755 5.529 30 10 DKEE C=CC[C@@H](C)[C@@H](NCCC)c1sc(C(F)(F)F)cc1C 2295006840 QZFVHQZQEZMNMH-ZWNOBZJWSA-N 305.409 5.328 30 10 DKEE Cc1ccc(F)c([C@@H](C#N)Nc2cccc(Cl)c2)c1Cl 2360760818 DFUALRQITLBAQE-CYBMUJFWSA-N 309.171 5.118 30 10 DKEE C[C@H]1C[C@](C#N)(CCCCC(F)(F)C(F)(F)F)CCS1 2368164331 HTKWBUXCCWZPHG-QWRGUYRKSA-N 315.351 5.170 30 10 DKEE C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 14551484 SFZZHWBEQQVHKU-WFXMLNOXSA-N 303.405 5.078 30 10 DKEE CC/C(=N\O)c1ccccc1OCc1c(Cl)cccc1Cl 20595590 PZLUYAOQVKRKGO-XDJHFCHBSA-N 324.207 5.161 30 10 DKEE Cc1cc(OC(C)C)c(C(C)C)cc1-c1csc(CC#N)n1 76541298 DFLRNEIEDGKRSN-UHFFFAOYSA-N 314.454 5.095 30 10 DKEE CCc1nc2ccccc2n1CCCCCCCCCS 97799981 MLXOWKBXHDEAJE-UHFFFAOYSA-N 304.503 5.259 30 10 DKEE CCCCCCCC[C@](C)(N)c1ccccc1Br 103949609 AMVTWRFUEBFQCD-INIZCTEOSA-N 312.295 5.374 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@H](Sc2cccc(Cl)c2)C1 110354793 LFHDOFGQOIHNJI-XJKCOSOUSA-N 307.890 5.787 30 10 DKEE Cc1cc(Br)ccc1Oc1ccc(C#N)c(Cl)c1 110449913 AYNAYHKSQSHYFD-UHFFFAOYSA-N 322.589 5.075 30 10 DKEE CCCCCCC[C@@H](O)c1cc(Cl)ccc1Br 117544410 GVAMHBDVCOIMJI-CQSZACIVSA-N 319.670 5.496 30 10 DKEE CCCCCCCCC[C@@](C)(O)c1cc2ccccc2s1 127064291 FUFJSXRYPZFZDV-LJQANCHMSA-N 304.499 6.250 30 10 DKEE N#Cc1ccc(Cl)c(Nc2nc3cccc(Cl)c3s2)c1 127980310 GETBCKMCLPGTDR-UHFFFAOYSA-N 320.204 5.218 30 10 DKEE CCCCCCC[C@H](NCC)c1occc1Br 166532892 ABVJVMRSLVDALA-ZDUSSCGKSA-N 302.256 5.053 30 10 DKEE CC(C)(C)[C@@H]1CC[C@H](C#N)[C@@H](Sc2ccc(Cl)cn2)C1 227473062 PVCLUVJIHYRAPI-BZPMIXESSA-N 308.878 5.182 30 10 DKEE CCCCCCCCC[S@@](=O)Cc1c(F)cccc1Cl 586373357 CBXHQWVCMAMIDU-HXUWFJFHSA-N 318.885 5.478 30 10 DKEE CCCCCCCC[C@@](C)(N)c1ccc(Cl)c(Cl)c1 704422103 FXRCUVNLFGBHMI-MRXNPFEDSA-N 302.289 5.918 30 10 DKEE C[C@@H](Nc1cc(F)cc(C#N)c1)c1cc(Cl)ccc1Cl 718511338 SPHMSSNGQRNDCN-SECBINFHSA-N 309.171 5.177 30 10 DKEE CC[C@@](C#N)(CC1CCCCC1)N(C(=O)OC(C)(C)C)C1CC1 720367765 MNXFLYJJKDMGNL-IBGZPJMESA-N 320.477 5.029 30 10 DKEE Cc1ccc(C)c(NN=Cc2ccc(-n3c(C)ccc3C)cc2)c1 1088739691 LZAQMNPWTRPZEL-UHFFFAOYSA-N 317.436 5.157 30 10 DKEE C#CC[C@@H](C[C@H](NCC)c1scc(Cl)c1Cl)C1CC1 1887488302 GZNMESARFDCRBF-AAEUAGOBSA-N 316.297 5.145 30 10 DKEE CCC[C@H](CS)CN(Cc1ccccc1)CC1CCCC1 1931881048 CBDOFFLIRQOMFI-IBGZPJMESA-N 305.531 5.025 30 10 DKEE CC(C)(C)[C@@H](CS)CN(Cc1ccccc1)C1CCCC1 1932028427 DITFZRXHEQHHLZ-QGZVFWFLSA-N 305.531 5.023 30 10 DKEE C=CCCCCNc1ccc(Br)c(Cl)c1Cl 1984509744 DMWYLNNQEPPRLY-UHFFFAOYSA-N 323.061 5.524 30 10 DKEE C=CCCCCC(=O)c1cc(Cl)cc(Br)c1 1984521274 HABMTJRTRFPQBZ-UHFFFAOYSA-N 301.611 5.032 30 10 DKEE C=CC1(C[C@H](O)c2c(Cl)ccc(Cl)c2Cl)CCC1 2049039320 DRMINGZGYNLLTO-NSHDSACASA-N 305.632 5.427 30 10 DKEE C=CCCCCCC[C@@H](NCC)c1coc(Br)c1 2085844058 JBQCOQVNNGAEMO-CQSZACIVSA-N 314.267 5.219 30 10 DKEE C=C1CC(C[C@H](NCCC)c2cccc(C)c2Br)C1 2125736038 QKZDHMXRPUIDRF-INIZCTEOSA-N 322.290 5.155 30 10 DKEE N#C[C@@H](Sc1ccc(Cl)cc1)[C@@H]1CCC2(CCCC2)C1 2155224880 QSQYKQLASWHVTF-CZUORRHYSA-N 305.874 5.685 30 10 DKEE C=C([C@H](NCCC)[C@@H]1CCCCCC1(F)F)[Si](C)(C)C 2164908320 CIPYVGZYLXHTPF-GJZGRUSLSA-N 303.513 5.004 30 10 DKEE CCCCCCCCCC[C@@H]1C[P@](C)(=O)C[C@@H]1NCC 2172978914 JCVITHMACWKQIF-UWVAXJGDSA-N 301.455 5.118 30 10 DKEE CCC(CC)(CS)CSc1nc(-c2ccccc2)cs1 2234273104 XOHPOTPEGWTPID-UHFFFAOYSA-N 323.552 5.638 30 10 DKEE CC(C)(C)C#CC=CCCc1ccc(Br)c(F)c1 2256699382 HEHBATZBDQOJDU-UHFFFAOYSA-N 309.222 5.127 30 10 DKEE C=C([C@@H](NC)c1cc(Br)cc(C(C)C)c1)C(C)(C)C 2265966187 YSSVFWTUYBOTGC-MRXNPFEDSA-N 324.306 5.435 30 10 DKEE C=CCC[C@@H](C)[C@H](NCCC)c1csc(Cl)c1OC 2268916291 ZQOGXMJFRXIJRG-YPMHNXCESA-N 301.883 5.053 30 10 DKEE C=CCCCCCCCC[S@@](=N)(=O)CCC(F)(F)CC 2283707604 VSTOIMVHUGMLRP-HXUWFJFHSA-N 309.466 5.385 30 10 DKEE C=CCCCCCCCSc1cc(Cl)ccc1[C@@H](C)N 2287077730 FIBZCFAGQNLKSK-CQSZACIVSA-N 311.922 5.978 30 10 DKEE CCOc1ccc(C=CC(=O)c2ccc(Cl)cc2Cl)cc1 2293057981 UNGQFKPEWMHYRF-UHFFFAOYSA-N 321.203 5.288 30 10 DKEE CC(=O)C=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2294769501 NFUKXVYMEINBAK-UHFFFAOYSA-N 321.203 5.175 30 10 DKEE C=C(Cl)C[C@@](C)(CCCCCCCCC)OCC(=O)O 2295674193 OQKGFJCNGZDILS-MRXNPFEDSA-N 304.858 5.130 30 10 DKEE C=CCCC(C)(C)NCCCc1cc(Cl)cc(Cl)c1 2341126525 JATXKDHDORARMQ-UHFFFAOYSA-N 300.273 5.260 30 10 DKEE C=CCC[C@@H](C)[C@H](NCC)c1cc(F)c(Cl)cc1Cl 2349849053 ZMCWAFIDGYOMKA-BMIGLBTASA-N 304.236 5.385 30 10 DKEE CC#CCCC[C@H](NCCC)c1c(Cl)cc(F)cc1Cl 2366414001 IKPWQNVVMQPVPK-HNNXBMFYSA-N 316.247 5.367 30 10 DKEE CC1=CCCC(C)(C)[C@@H]1/C=C(\C)C(=O)/C=C\c1cccs1 33384457 JBPFDMURTIPODJ-RDLBDKRCSA-N 300.467 5.659 30 10 DKEE CCCC(CS)(CCC)COc1cccc(C(C)(C)C)c1 94584364 GASXNSCFHNWVGB-UHFFFAOYSA-N 308.531 5.879 30 10 DKEE Cc1ccc(O)c(/N=C/c2c3ccccc3cc3ccccc23)c1 100041602 SSAZJQLLKBUADP-OEAKJJBVSA-N 311.384 5.758 30 10 DKEE CCCCCCCCCCNCc1nc2ccccc2s1 105839135 PYEHEQDYUYQZED-UHFFFAOYSA-N 304.503 5.527 30 10 DKEE CCCCCCCCCCOc1ccc(CCN)cc1Cl 109765255 PONPVUSXYFOJLV-UHFFFAOYSA-N 311.897 5.361 30 10 DKEE CCCCCCCO[C@H](CNC1CC1)c1cccc(Cl)c1 110067859 KSWQPSRKVIFBQV-GOSISDBHSA-N 309.881 5.120 30 10 DKEE CCCCCCCC[C@@H](NC)c1ccc(Br)s1 114419664 HUOLDXIKNHKDDM-GFCCVEGCSA-N 318.324 5.522 30 10 DKEE CCCCCCCC[C@H](NN)c1cc2cc(F)ccc2s1 122400102 HZJPUYKJAMZAMR-HNNXBMFYSA-N 308.466 5.295 30 10 DKEE CCCCCCCCn1c(S)nc2c(OCC)cccc21 134960907 OZXSSLHRSRMKRL-UHFFFAOYSA-N 306.475 5.084 30 10 DKEE c1ccc(/N=C2\SCCN(c3ccccc3)C3=C2CCC3)cc1 137756564 RFQHQYSXCRCMRA-MRCUWXFGSA-N 320.461 5.408 30 10 DKEE CCCCCCCC[C@@H](NCCC)c1cc(C)cc(Cl)c1 158960973 PZVFSJXZPYXFJZ-LJQANCHMSA-N 309.925 6.440 30 10 DKEE Cc1cccc(C#N)c1N[C@H](C)c1ccc(Cl)cc1Cl 220998627 WQQFBXVPFUSARH-LLVKDONJSA-N 305.208 5.347 30 10 DKEE Cc1cccc(Cl)c1Nc1ccc(C#N)c(Br)c1 228190886 PZOJGKIRNLYARD-UHFFFAOYSA-N 321.605 5.026 30 10 DKEE CC(C)c1cccc(Oc2ccc(Br)cc2C#N)c1 229179211 INOWSHSLGMZMBK-UHFFFAOYSA-N 316.198 5.236 30 10 DKEE Clc1ccc(N=Cc2ccccc2OCc2ccccc2)cc1 250653317 SCZRAMFTTQDHDL-UHFFFAOYSA-N 321.807 5.670 30 10 DKEE N#Cc1c(Cl)cccc1NCc1cc(Cl)sc1Cl 312767069 NMEDFOIUGUGFDI-UHFFFAOYSA-N 317.628 5.192 30 10 DKEE CCCCCCCCCCCC(=O)Nc1cc(OC)ccc1N 322232252 ZYCZZRNBMYWDPP-UHFFFAOYSA-N 320.477 5.137 30 10 DKEE CC(C)(C#N)CCCNc1cccc(OCc2ccccc2)c1 390750992 SKFFLGASOYXZKW-UHFFFAOYSA-N 308.425 5.007 30 10 DKEE CCCC[C@H](CC)COC(=O)[C@@H](S)[C@H](CCC)CCCC 585670207 KBNKGAPTANRYDF-BBWFWOEESA-N 316.551 5.651 30 10 DKEE C=C[C@H]1CC[C@H](COc2ccc(-c3ccc(C)cc3)cc2F)CC1 642772793 JJBFVROMTOXKDS-IYARVYRRSA-N 324.439 6.172 30 10 DKEE C[C@@H](Nc1ccc(Cl)cc1C#N)c1c(F)cccc1Cl 695767149 CHJWVHIOBHYIFM-SECBINFHSA-N 309.171 5.177 30 10 DKEE N#Cc1sc2ccc(SC(F)(F)F)cc2c1C(F)F 725291628 XKIXHCSMRDJMMA-UHFFFAOYSA-N 309.284 5.322 30 10 DKEE Fc1ccc(C(F)F)c(-c2c(F)c(F)c(F)c(F)c2F)c1 1848358762 AFQRIKYXCRXYQG-UHFFFAOYSA-N 312.159 5.126 30 10 DKEE CCCCCCCCNC(=O)c1cnc(C2CCCCC2)s1 1859664918 SHQXWSBWECENOZ-UHFFFAOYSA-N 322.518 5.281 30 10 DKEE C=C([C@@H](NCCC)c1ccc(Cl)cc1Cl)[Si](C)(C)C 1922875469 QKTCBBUJCQWGFY-OAHLLOKOSA-N 316.348 5.468 30 10 DKEE N#C[C@H]1CCCCC[C@H]1N(Cc1ccccc1)CC1CCCCC1 1946754594 UETWVQLHPHMDHB-FGZHOGPDSA-N 324.512 5.541 30 10 DKEE O=C(C1=CCCCCC1)c1cc(Br)c(Cl)s1 1978423148 YGTBPWPMQAVAQW-UHFFFAOYSA-N 319.651 5.237 30 10 DKEE CCCCCCCCCOC(C)(C)[C@H](C)NCc1ccccc1 1980735191 YROYJACCDPJAGS-IBGZPJMESA-N 319.533 5.711 30 10 DKEE CCCCCCCCCNCc1snc(Cl)c1Cl 2048350650 BZEJEYPFXFEIAZ-UHFFFAOYSA-N 309.306 5.290 30 10 DKEE Cc1ccc(C=C2C(=O)c3ccccc3[C@H]2c2ccccc2)cc1 2053464712 DEDMDBCEBICOKW-JOCHJYFZSA-N 310.396 5.407 30 10 DKEE C=CCCCCCC[C@H](O)Cc1ccc(Cl)cc1Cl 2141910584 ZMOFYBRIDHMAAY-HNNXBMFYSA-N 301.257 5.423 30 10 DKEE C=CCCCCCCCCC(=O)[C@H]1SCCS[C@@H]1C 2142433190 DXEDJZWRVLRZNT-ZBFHGGJFSA-N 300.533 5.099 30 10 DKEE C=CC1(Nc2ncc(C(F)(F)F)cc2Cl)CCCCC1 2178140825 UXMOZJDSUYCERI-UHFFFAOYSA-N 304.743 5.055 30 10 DKEE C=CCCCCCCCN(Cc1ccccc1)C[C@H]1CCCO1 2211144811 CKWVQRCGANGVSD-OAQYLSRUSA-N 315.501 5.194 30 10 DKEE CCSc1cccc(Oc2cc(C)cc(Cl)c2)c1C#N 2239797504 ZBLPKHPASRZROH-UHFFFAOYSA-N 303.814 5.424 30 10 DKEE C=CCC[C@H](NCC)c1cc(Br)cc(C(C)(C)C)c1 2273126397 XHTKBLIZXFEAKC-INIZCTEOSA-N 324.306 5.363 30 10 DKEE C=CCCCCCCCSc1nc(CNCCC)cs1 2287062951 LKVODQDJHWDXFM-UHFFFAOYSA-N 312.548 5.261 30 10 DKEE C=CCCCCCCCSc1cc(C(=O)O)c(Cl)cn1 2287083385 JNYMSWARLSNJBC-UHFFFAOYSA-N 313.850 5.052 30 10 DKEE CCCCCCCC[C@](C)(O)c1csc(C(C)(F)F)n1 2289400656 OCLVWLHBAZXLRI-AWEZNQCLSA-N 305.434 5.213 30 10 DKEE Cc1scc(C(=O)C2=CCC(C)(C)CC2)c1Br 2303608316 NPBSUVHIHWOKAE-UHFFFAOYSA-N 313.260 5.138 30 10 DKEE CCn1c(C)c(C=NNc2ccc(C)c(C)c2)c2ccccc21 2322922845 NIVZGBPFIFWBDF-UHFFFAOYSA-N 305.425 5.032 30 10 DKEE C=CC[C@@](C)(CC)[C@@H](NN)c1cc(Cl)c(Cl)cc1Cl 2344460444 QXVAURZBHYZESB-UONOGXRCSA-N 321.679 5.144 30 10 DKEE CSc1cc(Nc2cc(Cl)ccc2Cl)ccc1C#N 2353839407 IRGGDQDWKMPQAR-UHFFFAOYSA-N 309.221 5.331 30 10 DKEE C=CCC(CC=C)[C@@H](CSc1cccc(Cl)c1)NCC 2364070740 MJGUPUBRXAFUMD-QGZVFWFLSA-N 309.906 5.179 30 10 DKEE CC1=C(CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@H]2CC1=O 15168072 DGCSFZBBNZMTAQ-QUCCMNQESA-N 300.442 5.334 30 10 DKEE biogenic Clc1cccc(/N=C2\NC[C@@H](c3ccccc3)S2)c1Cl 35295132 SHGVJQBZWQCPNE-ZDUSSCGKSA-N 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