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C#CC(C)(C)NC(=O)C1=CCCCC1 238162112 573870341 /nfs/dbraw/zinc/87/03/41/573870341.db2.gz HZPRROKUORNNGS-UHFFFAOYSA-N 0 0 191.274 2.015 20 30 AEEDRN N#CCc1ccc2ccncc2c1 238552728 573881467 /nfs/dbraw/zinc/88/14/67/573881467.db2.gz BQAPYVPYRUIJPY-UHFFFAOYSA-N 0 0 168.199 2.301 20 30 AEEDRN CC1(C)CC(O)=C(C=O)C(C)(C)C1 238182213 573887729 /nfs/dbraw/zinc/88/77/29/573887729.db2.gz TVSGMGXTCJYPSF-MRVPVSSYSA-N 0 0 182.263 2.217 20 30 AEEDRN C=CCc1cnc(Cl)c(F)c1C=O 238561725 573889259 /nfs/dbraw/zinc/88/92/59/573889259.db2.gz YKSNSAPVPOLORS-UHFFFAOYSA-N 0 0 199.612 2.415 20 30 AEEDRN N#Cc1ccnc(NCCC(F)F)c1 306356479 573894008 /nfs/dbraw/zinc/89/40/08/573894008.db2.gz XKKWFTOSNKDXDO-UHFFFAOYSA-N 0 0 197.188 2.020 20 30 AEEDRN C[C@@H](S)C1(C)CC1 87364794 573894596 /nfs/dbraw/zinc/89/45/96/573894596.db2.gz WWAIUGRVVYRBQP-RXMQYKEDSA-N 0 0 116.229 2.105 20 30 AEEDRN CC(C)CN(CCC#N)CCCC#N 44295969 573897266 /nfs/dbraw/zinc/89/72/66/573897266.db2.gz UCFAUAMGEUSNGN-UHFFFAOYSA-N 0 0 193.294 2.162 20 30 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573932746 /nfs/dbraw/zinc/93/27/46/573932746.db2.gz QIWGMDCLRXKVOP-VHSXEESVSA-N 0 0 196.294 2.231 20 30 AEEDRN C[C@H](S)c1nccs1 81129286 573934962 /nfs/dbraw/zinc/93/49/62/573934962.db2.gz KCIMVGLMWXVJRQ-BYPYZUCNSA-N 0 0 145.252 2.134 20 30 AEEDRN CCCCCCN(CC)CC#N 45061429 573949961 /nfs/dbraw/zinc/94/99/61/573949961.db2.gz JHXZEPGNEYMXJJ-UHFFFAOYSA-N 0 0 168.284 2.412 20 30 AEEDRN CCCCCCN(C)CC#N 45059800 573950942 /nfs/dbraw/zinc/95/09/42/573950942.db2.gz XUTKOYJBWUSWPS-UHFFFAOYSA-N 0 0 154.257 2.022 20 30 AEEDRN CCCCCCCc1nc(CN)no1 104335166 573965049 /nfs/dbraw/zinc/96/50/49/573965049.db2.gz WDYGUFWKANQCCK-UHFFFAOYSA-N 0 0 197.282 2.041 20 30 AEEDRN CCc1ccc(CNCCC#N)s1 48334138 574003062 /nfs/dbraw/zinc/00/30/62/574003062.db2.gz BEDWJUKISULVMG-UHFFFAOYSA-N 0 0 194.303 2.314 20 30 AEEDRN CC(C)CN(CCC#N)C(=O)C(C)C 48151134 574003146 /nfs/dbraw/zinc/00/31/46/574003146.db2.gz JWBGXLVRHIREQV-UHFFFAOYSA-N 0 0 196.294 2.041 20 30 AEEDRN CCCCCC[C@@H](C)NC(=O)CC#N 49223383 574026164 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IVXXSCOJEJLGMV-UHFFFAOYSA-N 0 0 193.246 2.100 20 30 AEEDRN C=C[C@@H](C)NC(=O)c1ccoc1CC 684663400 487129871 /nfs/dbraw/zinc/12/98/71/487129871.db2.gz ZUZBUCRVUDEVAD-MRVPVSSYSA-N 0 0 193.246 2.146 20 30 AEEDRN C=C[C@@H](C)NC(=O)N[C@@H]1C[C@H]1CCC 684679717 487131034 /nfs/dbraw/zinc/13/10/34/487131034.db2.gz NDQDAJFCWYXUBM-OPRDCNLKSA-N 0 0 196.294 2.049 20 30 AEEDRN C=CC[C@@H](C)NC(=O)N[C@@H]1C[C@H]1CC 684791647 487132417 /nfs/dbraw/zinc/13/24/17/487132417.db2.gz VRVDAWNJYRZCAH-OPRDCNLKSA-N 0 0 196.294 2.049 20 30 AEEDRN C=CC[C@H](C)NC(=O)N[C@@H]1C[C@H]1CC 684791646 487133008 /nfs/dbraw/zinc/13/30/08/487133008.db2.gz VRVDAWNJYRZCAH-IVZWLZJFSA-N 0 0 196.294 2.049 20 30 AEEDRN CC#CCCCC(=O)N[C@@H]1C[C@H]1CC 684804540 487134155 /nfs/dbraw/zinc/13/41/55/487134155.db2.gz YMMBRNZOQASAIP-GHMZBOCLSA-N 0 0 193.290 2.095 20 30 AEEDRN C=CCCN(C)C(=O)N[C@@H]1C[C@H]1CC 684805457 487134548 /nfs/dbraw/zinc/13/45/48/487134548.db2.gz JQVYZZWXLMTQNH-NXEZZACHSA-N 0 0 196.294 2.002 20 30 AEEDRN C=C(C)CN(C)C(=O)N[C@@H]1C[C@H]1CC 684805957 487135389 /nfs/dbraw/zinc/13/53/89/487135389.db2.gz RNWFGINLXPHPAT-NXEZZACHSA-N 0 0 196.294 2.002 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N[C@H](C)CC 684881795 487136142 /nfs/dbraw/zinc/13/61/42/487136142.db2.gz QNJIHAFVNUECRK-ZJUUUORDSA-N 0 0 198.310 2.439 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)NCC(C)C 684882609 487136026 /nfs/dbraw/zinc/13/60/26/487136026.db2.gz WJFKMFBJVKNJTF-SNVBAGLBSA-N 0 0 198.310 2.296 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N[C@H](C)C=C 684928014 487136039 /nfs/dbraw/zinc/13/60/39/487136039.db2.gz CWXHPOGNDBPFKN-NXEZZACHSA-N 0 0 196.294 2.215 20 30 AEEDRN C=CC[C@H](CC)NC(=O)NCC(C)C 684882608 487136052 /nfs/dbraw/zinc/13/60/52/487136052.db2.gz WJFKMFBJVKNJTF-JTQLQIEISA-N 0 0 198.310 2.296 20 30 AEEDRN C=C[C@H](C)NC(=O)N(C)C(C)(C)CC 684912939 487136054 /nfs/dbraw/zinc/13/60/54/487136054.db2.gz GISAQFWMCKSVMQ-VIFPVBQESA-N 0 0 198.310 2.391 20 30 AEEDRN C=CC[C@H](CC)NC(=O)NCC1CC1 684883567 487136066 /nfs/dbraw/zinc/13/60/66/487136066.db2.gz MNMDGGTZWOHIHO-JTQLQIEISA-N 0 0 196.294 2.050 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N(C)C(C)C 684920705 487136082 /nfs/dbraw/zinc/13/60/82/487136082.db2.gz SNBGVRZEYGSWMR-JTQLQIEISA-N 0 0 198.310 2.391 20 30 AEEDRN C=C(C)CNC(=O)N(C)C(C)(C)CC 684919541 487136163 /nfs/dbraw/zinc/13/61/63/487136163.db2.gz SMZRLKZCYDFZIW-UHFFFAOYSA-N 0 0 198.310 2.393 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)NCC1CC1 684883569 487136177 /nfs/dbraw/zinc/13/61/77/487136177.db2.gz MNMDGGTZWOHIHO-SNVBAGLBSA-N 0 0 196.294 2.050 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N[C@@H](C)CC 684881793 487136184 /nfs/dbraw/zinc/13/61/84/487136184.db2.gz QNJIHAFVNUECRK-UWVGGRQHSA-N 0 0 198.310 2.439 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N(C)C(C)C 684920706 487136212 /nfs/dbraw/zinc/13/62/12/487136212.db2.gz SNBGVRZEYGSWMR-SNVBAGLBSA-N 0 0 198.310 2.391 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N(C)CCC 684919970 487136231 /nfs/dbraw/zinc/13/62/31/487136231.db2.gz GURDURBFFSHFPX-JTQLQIEISA-N 0 0 198.310 2.393 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N(C)CCC 684919971 487136261 /nfs/dbraw/zinc/13/62/61/487136261.db2.gz GURDURBFFSHFPX-SNVBAGLBSA-N 0 0 198.310 2.393 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N[C@H](C)CC 684881792 487136273 /nfs/dbraw/zinc/13/62/73/487136273.db2.gz QNJIHAFVNUECRK-NXEZZACHSA-N 0 0 198.310 2.439 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N[C@@H](C)CC 684881794 487136324 /nfs/dbraw/zinc/13/63/24/487136324.db2.gz QNJIHAFVNUECRK-VHSXEESVSA-N 0 0 198.310 2.439 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N[C@@H](C)C=C 684928016 487136580 /nfs/dbraw/zinc/13/65/80/487136580.db2.gz CWXHPOGNDBPFKN-VHSXEESVSA-N 0 0 196.294 2.215 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N(C)CC=C 684928571 487136592 /nfs/dbraw/zinc/13/65/92/487136592.db2.gz NCYXICUPYJMJCV-JTQLQIEISA-N 0 0 196.294 2.169 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N(C)CC=C 684928572 487136627 /nfs/dbraw/zinc/13/66/27/487136627.db2.gz NCYXICUPYJMJCV-SNVBAGLBSA-N 0 0 196.294 2.169 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N1CC[C@@H]1C 684928627 487136657 /nfs/dbraw/zinc/13/66/57/487136657.db2.gz PUJIYZBIEFHMRF-UWVGGRQHSA-N 0 0 196.294 2.145 20 30 AEEDRN C=CC[C@H](CC)NC(=O)c1ccoc1 684938997 487136685 /nfs/dbraw/zinc/13/66/85/487136685.db2.gz LCKXQILVINRNKE-JTQLQIEISA-N 0 0 193.246 2.364 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)C1CC=CC1 684938476 487136678 /nfs/dbraw/zinc/13/66/78/487136678.db2.gz BGJGZQLULNZZJC-LLVKDONJSA-N 0 0 193.290 2.424 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N(C)C1CC1 684929053 487136730 /nfs/dbraw/zinc/13/67/30/487136730.db2.gz MAKIJRIVZKEFFU-VIFPVBQESA-N 0 0 196.294 2.145 20 30 AEEDRN C=CC[C@H](CC)NC(=O)C1CC=CC1 684938477 487136765 /nfs/dbraw/zinc/13/67/65/487136765.db2.gz BGJGZQLULNZZJC-NSHDSACASA-N 0 0 193.290 2.424 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N(C)C1CC1 684929052 487136771 /nfs/dbraw/zinc/13/67/71/487136771.db2.gz MAKIJRIVZKEFFU-SECBINFHSA-N 0 0 196.294 2.145 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N[C@H](C)C=C 684928017 487136810 /nfs/dbraw/zinc/13/68/10/487136810.db2.gz CWXHPOGNDBPFKN-ZJUUUORDSA-N 0 0 196.294 2.215 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N[C@@H](C)C=C 684928015 487136852 /nfs/dbraw/zinc/13/68/52/487136852.db2.gz CWXHPOGNDBPFKN-UWVGGRQHSA-N 0 0 196.294 2.215 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N1CC[C@H]1C 684928626 487136890 /nfs/dbraw/zinc/13/68/90/487136890.db2.gz PUJIYZBIEFHMRF-NXEZZACHSA-N 0 0 196.294 2.145 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)NCC(=C)C 684929464 487136901 /nfs/dbraw/zinc/13/69/01/487136901.db2.gz KFGDIDDILAOUJW-SNVBAGLBSA-N 0 0 196.294 2.216 20 30 AEEDRN C=CC[C@H](CC)NC(=O)N1CC[C@H]1C 684928629 487136973 /nfs/dbraw/zinc/13/69/73/487136973.db2.gz PUJIYZBIEFHMRF-ZJUUUORDSA-N 0 0 196.294 2.145 20 30 AEEDRN C=CC[C@H](CC)NC(=O)NCC(=C)C 684929463 487137088 /nfs/dbraw/zinc/13/70/88/487137088.db2.gz KFGDIDDILAOUJW-JTQLQIEISA-N 0 0 196.294 2.216 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)N1CC[C@@H]1C 684928628 487137100 /nfs/dbraw/zinc/13/71/00/487137100.db2.gz PUJIYZBIEFHMRF-VHSXEESVSA-N 0 0 196.294 2.145 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)c1ccoc1 684938998 487137144 /nfs/dbraw/zinc/13/71/44/487137144.db2.gz LCKXQILVINRNKE-SNVBAGLBSA-N 0 0 193.246 2.364 20 30 AEEDRN C=CCCC(=O)Nc1cncc(F)c1 684938133 487137172 /nfs/dbraw/zinc/13/71/72/487137172.db2.gz JRCJJHMKMRCKIL-UHFFFAOYSA-N 0 0 194.209 2.125 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)c1cc[nH]c1 684987895 487138551 /nfs/dbraw/zinc/13/85/51/487138551.db2.gz OKKDWOLAPADIFQ-SNVBAGLBSA-N 0 0 192.262 2.099 20 30 AEEDRN C=CC[C@H](CC)NC(=O)c1cc[nH]c1 684987894 487138760 /nfs/dbraw/zinc/13/87/60/487138760.db2.gz OKKDWOLAPADIFQ-JTQLQIEISA-N 0 0 192.262 2.099 20 30 AEEDRN C=CC[C@@H](CC)NC(=O)c1ccc[nH]1 684987184 487138951 /nfs/dbraw/zinc/13/89/51/487138951.db2.gz BGVDYQJOQPKCTF-SECBINFHSA-N 0 0 192.262 2.099 20 30 AEEDRN N#CC1(Cn2cc(Cl)cn2)CCC1 260465627 487139039 /nfs/dbraw/zinc/13/90/39/487139039.db2.gz RVKHAQUWDWVXGH-UHFFFAOYSA-N 0 0 195.653 2.230 20 30 AEEDRN C=CC[C@H](CC)NC(=O)c1ccc[nH]1 684987185 487139162 /nfs/dbraw/zinc/13/91/62/487139162.db2.gz BGVDYQJOQPKCTF-VIFPVBQESA-N 0 0 192.262 2.099 20 30 AEEDRN C=CCCCNc1ccn(CC)n1 300857422 487145291 /nfs/dbraw/zinc/14/52/91/487145291.db2.gz IJGYTXKFDJSJMW-UHFFFAOYSA-N 0 0 179.267 2.281 20 30 AEEDRN C=C(C)CCNc1ccn(CC)n1 300920130 487146335 /nfs/dbraw/zinc/14/63/35/487146335.db2.gz UELRHTLXZWJNMT-UHFFFAOYSA-N 0 0 179.267 2.281 20 30 AEEDRN CC#CCCNC(=O)[C@H](C)CCCC 300975437 487147109 /nfs/dbraw/zinc/14/71/09/487147109.db2.gz SPFXQPMGKZOLKV-LLVKDONJSA-N 0 0 195.306 2.342 20 30 AEEDRN CC#CCCNC(=O)[C@@H](C)CCCC 300975438 487148443 /nfs/dbraw/zinc/14/84/43/487148443.db2.gz SPFXQPMGKZOLKV-NSHDSACASA-N 0 0 195.306 2.342 20 30 AEEDRN C=C(C)CN(CC)Cc1n[nH]cc1C 685832686 487149100 /nfs/dbraw/zinc/14/91/00/487149100.db2.gz IUGJGCWAYYDNAY-UHFFFAOYSA-N 0 0 193.294 2.116 20 30 AEEDRN C=C(CC)CNc1cc(C)nc(C)n1 306340783 487153888 /nfs/dbraw/zinc/15/38/88/487153888.db2.gz ZDVVKKJTYSCEFL-UHFFFAOYSA-N 0 0 191.278 2.472 20 30 AEEDRN Cc1cnccc1NCC(C)(C)C#N 306653523 487163548 /nfs/dbraw/zinc/16/35/48/487163548.db2.gz HALHAFFPYFNLGR-UHFFFAOYSA-N 0 0 189.262 2.352 20 30 AEEDRN C=CC(C)(C)CNc1ccc(C)nn1 306729432 487165913 /nfs/dbraw/zinc/16/59/13/487165913.db2.gz KSBLSADXZZHFPR-UHFFFAOYSA-N 0 0 191.278 2.409 20 30 AEEDRN C=CCN1CCc2cc(F)ccc21 307132891 487174190 /nfs/dbraw/zinc/17/41/90/487174190.db2.gz MASGHPKGVPXSNX-UHFFFAOYSA-N 0 0 177.222 2.374 20 30 AEEDRN C=CCSc1nnc2ccccn12 307436243 487180935 /nfs/dbraw/zinc/18/09/35/487180935.db2.gz SSAQIGCYHQYVFT-UHFFFAOYSA-N 0 0 191.259 2.007 20 30 AEEDRN C=CC(C)(C)CNc1nnc(C)s1 307567764 487184555 /nfs/dbraw/zinc/18/45/55/487184555.db2.gz UORWJXOKWVTLRR-UHFFFAOYSA-N 0 0 197.307 2.471 20 30 AEEDRN C=C(C)CCNc1nnc(C)s1 307584560 487185168 /nfs/dbraw/zinc/18/51/68/487185168.db2.gz IQKUNYRBVMLWPL-UHFFFAOYSA-N 0 0 183.280 2.225 20 30 AEEDRN C=C[C@@H](C)NC(=O)[C@@H]1CC=CCC1 307582970 487185203 /nfs/dbraw/zinc/18/52/03/487185203.db2.gz XBCSRXQOHVDSFF-NXEZZACHSA-N 0 0 179.263 2.033 20 30 AEEDRN C=C[C@@H](C)NC(=O)[C@H]1CC=CCC1 307582973 487185382 /nfs/dbraw/zinc/18/53/82/487185382.db2.gz XBCSRXQOHVDSFF-ZJUUUORDSA-N 0 0 179.263 2.033 20 30 AEEDRN C=C[C@H](C)NC(=O)[C@H]1CC=CCC1 307582971 487185434 /nfs/dbraw/zinc/18/54/34/487185434.db2.gz XBCSRXQOHVDSFF-UWVGGRQHSA-N 0 0 179.263 2.033 20 30 AEEDRN C=CCCCNc1ccc(C)nn1 308147685 487195353 /nfs/dbraw/zinc/19/53/53/487195353.db2.gz OZNVVINPYYRZQK-UHFFFAOYSA-N 0 0 177.251 2.163 20 30 AEEDRN C=C[C@H](C)N[C@H](C)c1cc(C)on1 308263056 487198151 /nfs/dbraw/zinc/19/81/51/487198151.db2.gz OHQKPVXGFBGGPC-IONNQARKSA-N 0 0 180.251 2.208 20 30 AEEDRN C=C[C@@H](C)N[C@@H](C)c1cc(C)on1 308263054 487198166 /nfs/dbraw/zinc/19/81/66/487198166.db2.gz OHQKPVXGFBGGPC-APPZFPTMSA-N 0 0 180.251 2.208 20 30 AEEDRN C=C[C@@H](C)N[C@H](C)c1cc(C)on1 308263057 487198613 /nfs/dbraw/zinc/19/86/13/487198613.db2.gz OHQKPVXGFBGGPC-VXNVDRBHSA-N 0 0 180.251 2.208 20 30 AEEDRN C=C[C@H](C)N[C@@H](C)c1cc(C)on1 308263055 487198622 /nfs/dbraw/zinc/19/86/22/487198622.db2.gz OHQKPVXGFBGGPC-CBAPKCEASA-N 0 0 180.251 2.208 20 30 AEEDRN C=CCN(C)C(=O)[C@@H](C)CCCC 308442191 487200761 /nfs/dbraw/zinc/20/07/61/487200761.db2.gz 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C=C(C)CONC(=O)[C@@H]1CC[C@@H](C)C1 846536129 583155249 /nfs/dbraw/zinc/15/52/49/583155249.db2.gz UOSVPAPEBMKBBJ-NXEZZACHSA-N 0 0 197.278 2.047 20 30 AEEDRN C=C(C)CONC(=O)[C@H]1CC[C@H](C)C1 846536130 583155254 /nfs/dbraw/zinc/15/52/54/583155254.db2.gz UOSVPAPEBMKBBJ-UWVGGRQHSA-N 0 0 197.278 2.047 20 30 AEEDRN C=C(C)CONC(=O)CCC(C)(C)C 846537350 583155258 /nfs/dbraw/zinc/15/52/58/583155258.db2.gz KTAFZSMOBFAVKM-UHFFFAOYSA-N 0 0 199.294 2.437 20 30 AEEDRN C=C(C)CONC(=O)[C@H](C)CCC 846539529 583155265 /nfs/dbraw/zinc/15/52/65/583155265.db2.gz ZEEPIVALHCRGBE-SECBINFHSA-N 0 0 185.267 2.047 20 30 AEEDRN C=C(C)CONC(=O)[C@@H](C)[C@@H](C)CC 846536255 583155274 /nfs/dbraw/zinc/15/52/74/583155274.db2.gz YXFYMRCSAFTRHE-UWVGGRQHSA-N 0 0 199.294 2.293 20 30 AEEDRN C=C(C)CONC(=O)C1(CCC)CC1 846536558 583155275 /nfs/dbraw/zinc/15/52/75/583155275.db2.gz PZBHUYHPJNJHJQ-UHFFFAOYSA-N 0 0 197.278 2.191 20 30 AEEDRN C=C(C)CONC(=O)CC(C)(C)CC 846538544 583155278 /nfs/dbraw/zinc/15/52/78/583155278.db2.gz YEAGJTYYVRQEPC-UHFFFAOYSA-N 0 0 199.294 2.437 20 30 AEEDRN C=C(C)CONC(=O)[C@H](C)[C@@H](C)CC 846536256 583155300 /nfs/dbraw/zinc/15/53/00/583155300.db2.gz YXFYMRCSAFTRHE-VHSXEESVSA-N 0 0 199.294 2.293 20 30 AEEDRN C=C(C)CONC(=O)C1(C)CCCC1 846539878 583155317 /nfs/dbraw/zinc/15/53/17/583155317.db2.gz PCZSAELZCSRTTQ-UHFFFAOYSA-N 0 0 197.278 2.191 20 30 AEEDRN C=C(C)CONC(=O)[C@@H]1CC[C@H](C)C1 846536131 583155326 /nfs/dbraw/zinc/15/53/26/583155326.db2.gz UOSVPAPEBMKBBJ-VHSXEESVSA-N 0 0 197.278 2.047 20 30 AEEDRN C=C(C)CONC(=O)C1(CC)CCC1 846537621 583155328 /nfs/dbraw/zinc/15/53/28/583155328.db2.gz NYXSMLCTEAQHOG-UHFFFAOYSA-N 0 0 197.278 2.191 20 30 AEEDRN C=C(C)CONC(=O)C[C@@H](C)CCC 846539558 583155348 /nfs/dbraw/zinc/15/53/48/583155348.db2.gz JAUAEFCZTIDBBC-JTQLQIEISA-N 0 0 199.294 2.437 20 30 AEEDRN C=C(C)CONC(=O)C[C@@H](C)CC 846535325 583155394 /nfs/dbraw/zinc/15/53/94/583155394.db2.gz YEBKWVBJINEHKK-VIFPVBQESA-N 0 0 185.267 2.047 20 30 AEEDRN C=C(C)CONC(=O)C(CC)CC 846537212 583155403 /nfs/dbraw/zinc/15/54/03/583155403.db2.gz DEAZMGWGQLXSLX-UHFFFAOYSA-N 0 0 185.267 2.047 20 30 AEEDRN C=C(C)CONC(=O)C1=CCCCC1 846535268 583155408 /nfs/dbraw/zinc/15/54/08/583155408.db2.gz VYRPSOVVYNQZHO-UHFFFAOYSA-N 0 0 195.262 2.111 20 30 AEEDRN C=C(C)CONC(=O)[C@H](C)[C@H](C)CC 846536254 583155425 /nfs/dbraw/zinc/15/54/25/583155425.db2.gz YXFYMRCSAFTRHE-NXEZZACHSA-N 0 0 199.294 2.293 20 30 AEEDRN C=C(C)CONC(=O)C[C@H](C)C1CC1 846540205 583155485 /nfs/dbraw/zinc/15/54/85/583155485.db2.gz XAMPFKISLCASNC-VIFPVBQESA-N 0 0 197.278 2.047 20 30 AEEDRN C=C(C)CONC(=O)[C@@H](C)[C@H](C)CC 846536257 583155510 /nfs/dbraw/zinc/15/55/10/583155510.db2.gz YXFYMRCSAFTRHE-ZJUUUORDSA-N 0 0 199.294 2.293 20 30 AEEDRN C=C(C)CONC(=O)[C@@H](C)C(C)(C)C 846538723 583155512 /nfs/dbraw/zinc/15/55/12/583155512.db2.gz LAUCMVCPCZOEPO-SECBINFHSA-N 0 0 199.294 2.293 20 30 AEEDRN C=C(C)CONC(=O)[C@H](C)C(C)(C)C 846538726 583155549 /nfs/dbraw/zinc/15/55/49/583155549.db2.gz LAUCMVCPCZOEPO-VIFPVBQESA-N 0 0 199.294 2.293 20 30 AEEDRN C=C(C)CONC(=O)/C(C)=C(/C)CC 846535750 583155591 /nfs/dbraw/zinc/15/55/91/583155591.db2.gz LUNVTLRFDCXDIR-KTKRTIGZSA-N 0 0 197.278 2.357 20 30 AEEDRN C=C(C)CONC(=O)C1=C(C)CCC1 846536358 583155609 /nfs/dbraw/zinc/15/56/09/583155609.db2.gz IDJPNWUDPDUXQB-UHFFFAOYSA-N 0 0 195.262 2.111 20 30 AEEDRN C=C(C)CONC(=O)C[C@H](C)CCC 846539559 583155621 /nfs/dbraw/zinc/15/56/21/583155621.db2.gz JAUAEFCZTIDBBC-SNVBAGLBSA-N 0 0 199.294 2.437 20 30 AEEDRN C=C(C)CONC(=O)C[C@@H](C)C1CC1 846540204 583155624 /nfs/dbraw/zinc/15/56/24/583155624.db2.gz XAMPFKISLCASNC-SECBINFHSA-N 0 0 197.278 2.047 20 30 AEEDRN C=C(C)CONC(=O)CCC1CCC1 846537439 583155661 /nfs/dbraw/zinc/15/56/61/583155661.db2.gz LZWAHOFCYPRSHW-UHFFFAOYSA-N 0 0 197.278 2.191 20 30 AEEDRN C=C[C@@H](C)ONC(=O)CC1CCCC1 846540887 583155669 /nfs/dbraw/zinc/15/56/69/583155669.db2.gz LXOVLKHFYPWQLQ-SECBINFHSA-N 0 0 197.278 2.189 20 30 AEEDRN C=C(C)CONC(=O)C(C)(CC)CC 846536122 583155725 /nfs/dbraw/zinc/15/57/25/583155725.db2.gz UHENTXYOSHBXBQ-UHFFFAOYSA-N 0 0 199.294 2.437 20 30 AEEDRN C=C[C@H](C)ONC(=O)[C@H]1CC[C@H](C)C1 846547247 583155874 /nfs/dbraw/zinc/15/58/74/583155874.db2.gz CSEQESKAASJAKX-GUBZILKMSA-N 0 0 197.278 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)[C@H](C)CCC 846546657 583155880 /nfs/dbraw/zinc/15/58/80/583155880.db2.gz XGCFRMACVNNGNX-BDAKNGLRSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)[C@@H]1CC[C@H](C)C1 846547251 583155944 /nfs/dbraw/zinc/15/59/44/583155944.db2.gz CSEQESKAASJAKX-LPEHRKFASA-N 0 0 197.278 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)C(CC)CC 846543166 583155954 /nfs/dbraw/zinc/15/59/54/583155954.db2.gz GMFFEERBQMZPJC-QMMMGPOBSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)CC(CC)CC 846544984 583155998 /nfs/dbraw/zinc/15/59/98/583155998.db2.gz DGISPBJCHSZNIK-VIFPVBQESA-N 0 0 199.294 2.435 20 30 AEEDRN C=C(C)CONC(=O)C1CCCCC1 846541354 583156044 /nfs/dbraw/zinc/15/60/44/583156044.db2.gz UIIOGBNTYKKCRE-UHFFFAOYSA-N 0 0 197.278 2.191 20 30 AEEDRN C=C[C@@H](C)ONC(=O)C=C(CC)CC 846546061 583156125 /nfs/dbraw/zinc/15/61/25/583156125.db2.gz KYAKXJAWQYTTJP-SECBINFHSA-N 0 0 197.278 2.355 20 30 AEEDRN C=C[C@H](C)ONC(=O)[C@H]1CC[C@@H](C)C1 846547252 583156151 /nfs/dbraw/zinc/15/61/51/583156151.db2.gz CSEQESKAASJAKX-UTLUCORTSA-N 0 0 197.278 2.045 20 30 AEEDRN C=C[C@@H](C)ONC(=O)CCC1CCC1 846545603 583156176 /nfs/dbraw/zinc/15/61/76/583156176.db2.gz HZVQJBUGYHAIFM-SECBINFHSA-N 0 0 197.278 2.189 20 30 AEEDRN C=C[C@@H](C)ONC(=O)CC(C)(C)C 846544081 583156225 /nfs/dbraw/zinc/15/62/25/583156225.db2.gz OGFMKZFQTOTRPJ-MRVPVSSYSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)CCCCC 846543945 583156279 /nfs/dbraw/zinc/15/62/79/583156279.db2.gz NLSGXZHRSYVFTM-VIFPVBQESA-N 0 0 185.267 2.189 20 30 AEEDRN C=C[C@@H](C)ONC(=O)C1=C(C)CCC1 846546331 583156301 /nfs/dbraw/zinc/15/63/01/583156301.db2.gz BRMOPCQPACUSKY-SECBINFHSA-N 0 0 195.262 2.109 20 30 AEEDRN C=C[C@H](C)ONC(=O)CCC1CCC1 846545605 583156320 /nfs/dbraw/zinc/15/63/20/583156320.db2.gz HZVQJBUGYHAIFM-VIFPVBQESA-N 0 0 197.278 2.189 20 30 AEEDRN C=C[C@@H](C)ONC(=O)CCC(C)C 846541223 583156340 /nfs/dbraw/zinc/15/63/40/583156340.db2.gz FDRPYBGCHWHDNV-SECBINFHSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@@H](C)ONC(=O)CC(CC)CC 846544982 583156402 /nfs/dbraw/zinc/15/64/02/583156402.db2.gz DGISPBJCHSZNIK-SECBINFHSA-N 0 0 199.294 2.435 20 30 AEEDRN C=C[C@@H](C)ONC(=O)[C@H](C)CCC 846546660 583156443 /nfs/dbraw/zinc/15/64/43/583156443.db2.gz XGCFRMACVNNGNX-RKDXNWHRSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)[C@@H]1CC[C@@H](C)C1 846547249 583156464 /nfs/dbraw/zinc/15/64/64/583156464.db2.gz CSEQESKAASJAKX-KXUCPTDWSA-N 0 0 197.278 2.045 20 30 AEEDRN C=C[C@@H](C)ONC(=O)[C@@H](C)CCC 846546658 583156474 /nfs/dbraw/zinc/15/64/74/583156474.db2.gz XGCFRMACVNNGNX-DTWKUNHWSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@@H](C)ONC(=O)C(CC)CC 846543165 583156476 /nfs/dbraw/zinc/15/64/76/583156476.db2.gz GMFFEERBQMZPJC-MRVPVSSYSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)CCC(C)C 846541225 583156481 /nfs/dbraw/zinc/15/64/81/583156481.db2.gz FDRPYBGCHWHDNV-VIFPVBQESA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)C=C(CC)CC 846546062 583156486 /nfs/dbraw/zinc/15/64/86/583156486.db2.gz KYAKXJAWQYTTJP-VIFPVBQESA-N 0 0 197.278 2.355 20 30 AEEDRN C=C[C@H](C)ONC(=O)C1(CC)CCC1 846545227 583156513 /nfs/dbraw/zinc/15/65/13/583156513.db2.gz FNHZLFAHEQZZBB-VIFPVBQESA-N 0 0 197.278 2.189 20 30 AEEDRN C=C[C@H](C)ONC(=O)[C@@H](C)CCC 846546659 583156520 /nfs/dbraw/zinc/15/65/20/583156520.db2.gz XGCFRMACVNNGNX-IUCAKERBSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@@H](C)ONC(=O)CCCCC 846543943 583156522 /nfs/dbraw/zinc/15/65/22/583156522.db2.gz NLSGXZHRSYVFTM-SECBINFHSA-N 0 0 185.267 2.189 20 30 AEEDRN C=C[C@@H](C)ONC(=O)C1(CC)CCC1 846545226 583156527 /nfs/dbraw/zinc/15/65/27/583156527.db2.gz FNHZLFAHEQZZBB-SECBINFHSA-N 0 0 197.278 2.189 20 30 AEEDRN C=C[C@@H](C)ONC(=O)C1(CCC)CC1 846547864 583156533 /nfs/dbraw/zinc/15/65/33/583156533.db2.gz NHAYBQPSNAAXEB-SECBINFHSA-N 0 0 197.278 2.189 20 30 AEEDRN C=C[C@H](C)ONC(=O)C1CCCCC1 846541550 583156539 /nfs/dbraw/zinc/15/65/39/583156539.db2.gz YUOOCEFPQGENAN-VIFPVBQESA-N 0 0 197.278 2.189 20 30 AEEDRN C=C[C@H](C)ONC(=O)CCC(C)(C)C 846544589 583156541 /nfs/dbraw/zinc/15/65/41/583156541.db2.gz HWICTSXYCYKTBE-VIFPVBQESA-N 0 0 199.294 2.435 20 30 AEEDRN C=C[C@H](C)ONC(=O)CC(C)(C)C 846544084 583156552 /nfs/dbraw/zinc/15/65/52/583156552.db2.gz OGFMKZFQTOTRPJ-QMMMGPOBSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@@H](C)ONC(=O)CCC(C)(C)C 846544588 583156566 /nfs/dbraw/zinc/15/65/66/583156566.db2.gz HWICTSXYCYKTBE-SECBINFHSA-N 0 0 199.294 2.435 20 30 AEEDRN C=C[C@H](C)ONC(=O)C1=C(C)CCC1 846546333 583156591 /nfs/dbraw/zinc/15/65/91/583156591.db2.gz BRMOPCQPACUSKY-VIFPVBQESA-N 0 0 195.262 2.109 20 30 AEEDRN C=C(C)CONC(=O)CC1CCCC1 846540973 583156597 /nfs/dbraw/zinc/15/65/97/583156597.db2.gz NRZBTQSMXGVMRR-UHFFFAOYSA-N 0 0 197.278 2.191 20 30 AEEDRN C=C[C@@H](C)ONC(=O)C1CCCCC1 846541549 583156649 /nfs/dbraw/zinc/15/66/49/583156649.db2.gz YUOOCEFPQGENAN-SECBINFHSA-N 0 0 197.278 2.189 20 30 AEEDRN C=C[C@@H](C)ONC(=O)C(C)(C)CC 846550287 583156975 /nfs/dbraw/zinc/15/69/75/583156975.db2.gz MCTGDMKIQRNGII-MRVPVSSYSA-N 0 0 185.267 2.045 20 30 AEEDRN C=C[C@H](C)ONC(=O)[C@H](C)[C@H](C)CC 846548442 583156991 /nfs/dbraw/zinc/15/69/91/583156991.db2.gz JUUUYJKJADCWGF-KXUCPTDWSA-N 0 0 199.294 2.291 20 30 AEEDRN C=C[C@H](C)ONC(=O)C[C@H](C)CCC 846552041 583157003 /nfs/dbraw/zinc/15/70/03/583157003.db2.gz ZHTQFBSLXMAINI-ZJUUUORDSA-N 0 0 199.294 2.435 20 30 AEEDRN C=C[C@H](C)ONC(=O)CC[C@H](C)CC 846552604 583157032 /nfs/dbraw/zinc/15/70/32/583157032.db2.gz LHPKLRRBVREGJH-ZJUUUORDSA-N 0 0 199.294 2.435 20 30 AEEDRN C=C[C@@H](C)ONC(=O)C(C)(C)C(C)C 846553517 583157041 /nfs/dbraw/zinc/15/70/41/583157041.db2.gz CSJPDZFJLFPCSP-SECBINFHSA-N 0 0 199.294 2.291 20 30 AEEDRN C=C[C@H](C)ONC(=O)[C@@H](C)[C@H](C)CC 846548445 583157057 /nfs/dbraw/zinc/15/70/57/583157057.db2.gz JUUUYJKJADCWGF-UTLUCORTSA-N 0 0 199.294 2.291 20 30 AEEDRN 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