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199.294 2.604 20 30 AFEDRN CC[C@@H](C)CON=C1CCOC1(C)C 814939662 582981110 /nfs/dbraw/zinc/98/11/10/582981110.db2.gz YDSQBVGJVOZSLV-SECBINFHSA-N 0 0 199.294 2.604 20 30 AFEDRN C#CCON=C[C@H](C)C1CCCCC1 814936479 582981113 /nfs/dbraw/zinc/98/11/13/582981113.db2.gz USTGHTNYCGREPV-NSHDSACASA-N 0 0 193.290 2.838 20 30 AFEDRN C(CC1CC1)ON=C1CC[C@@H]1C1CC1 814941481 582981691 /nfs/dbraw/zinc/98/16/91/582981691.db2.gz ZQWULWGJDYMQRU-LLVKDONJSA-N 0 0 193.290 2.979 20 30 AFEDRN C(CC1CC1)ON=C1CC[C@H]1C1CC1 814941482 582981734 /nfs/dbraw/zinc/98/17/34/582981734.db2.gz ZQWULWGJDYMQRU-NSHDSACASA-N 0 0 193.290 2.979 20 30 AFEDRN C#CC[N@@H+](CC)[C@@H]1C=CCCCCC1 815058816 582982509 /nfs/dbraw/zinc/98/25/09/582982509.db2.gz VALJCYGFEJGKPG-CYBMUJFWSA-N 0 0 191.318 2.830 20 30 AFEDRN C#CC[N@@H+](CC)[C@H]1C=CCCCCC1 815058817 582983261 /nfs/dbraw/zinc/98/32/61/582983261.db2.gz VALJCYGFEJGKPG-ZDUSSCGKSA-N 0 0 191.318 2.830 20 30 AFEDRN C=CCCC(=O)OCc1occc1C 816103896 582984544 /nfs/dbraw/zinc/98/45/44/582984544.db2.gz SCNASGDBYBXYHT-UHFFFAOYSA-N 0 0 194.230 2.597 20 30 AFEDRN C#CC[N@@H+](CC)Cc1ccsc1C 816496703 582985978 /nfs/dbraw/zinc/98/59/78/582985978.db2.gz SYXXTVXSTWNBHN-UHFFFAOYSA-N 0 0 193.315 2.512 20 30 AFEDRN FC(F)(F)CC=NOCCC1CC1 817329510 582995323 /nfs/dbraw/zinc/99/53/23/582995323.db2.gz NGQGPZRZICPOQL-UHFFFAOYSA-N 0 0 195.184 2.741 20 30 AFEDRN C=CCC(C)(C)CNC(=O)/C(C)=C\C 817457619 582996962 /nfs/dbraw/zinc/99/69/62/582996962.db2.gz VNKAJCKWNSMNPH-YFHOEESVSA-N 0 0 195.306 2.671 20 30 AFEDRN C=CCC(C)(C)CNC(=O)/C(C)=C/C 817457618 582997508 /nfs/dbraw/zinc/99/75/08/582997508.db2.gz VNKAJCKWNSMNPH-JXMROGBWSA-N 0 0 195.306 2.671 20 30 AFEDRN C#CCCOc1cccc(C2CC2)c1 818088758 583003956 /nfs/dbraw/zinc/00/39/56/583003956.db2.gz LKOBQFBGEFLGGT-UHFFFAOYSA-N 0 0 186.254 2.966 20 30 AFEDRN C=CCCCC(=O)NC1(C(C)C)CC1 818360249 583007276 /nfs/dbraw/zinc/00/72/76/583007276.db2.gz VEKFMROIYJCLMJ-UHFFFAOYSA-N 0 0 195.306 2.648 20 30 AFEDRN C=C(C)C(C)(C)C(=O)N1CCC1(C)C 819304026 583012005 /nfs/dbraw/zinc/01/20/05/583012005.db2.gz QEMUOHAPTRUNFO-UHFFFAOYSA-N 0 0 195.306 2.600 20 30 AFEDRN CCON=Cc1c(F)cc(C)cc1F 819803523 583014992 /nfs/dbraw/zinc/01/49/92/583014992.db2.gz QPOVJMYTNFKZAK-UHFFFAOYSA-N 0 0 199.200 2.644 20 30 AFEDRN C#CCCCOC(=O)C(C)(C)C(=C)C 819953345 583015745 /nfs/dbraw/zinc/01/57/45/583015745.db2.gz UGDMSXRKROBKRA-UHFFFAOYSA-N 0 0 194.274 2.545 20 30 AFEDRN C=CCCOC(=O)[C@H]1CCCC[C@H]1C 819954336 583015821 /nfs/dbraw/zinc/01/58/21/583015821.db2.gz QSBHZCDBKZNCJE-MNOVXSKESA-N 0 0 196.290 2.932 20 30 AFEDRN CCC(C)=NN[C@@H](C)c1ccncc1 819814980 583016077 /nfs/dbraw/zinc/01/60/77/583016077.db2.gz KLQNLKJJRUHVSS-JTQLQIEISA-N 0 0 191.278 2.518 20 30 AFEDRN CCC(C)=NN[C@H](C)c1ccncc1 819814981 583016163 /nfs/dbraw/zinc/01/61/63/583016163.db2.gz KLQNLKJJRUHVSS-SNVBAGLBSA-N 0 0 191.278 2.518 20 30 AFEDRN C=C(C)C(C)(C)C(=O)OCC1CC1 819953329 583016276 /nfs/dbraw/zinc/01/62/76/583016276.db2.gz TYNVUKUVEKTFCA-UHFFFAOYSA-N 0 0 182.263 2.542 20 30 AFEDRN C=CCCOC(=O)[C@H]1CCCC[C@@H]1C 819954337 583016480 /nfs/dbraw/zinc/01/64/80/583016480.db2.gz QSBHZCDBKZNCJE-QWRGUYRKSA-N 0 0 196.290 2.932 20 30 AFEDRN C=CCCOC(=O)[C@@H]1CCCC[C@@H]1C 819954338 583016503 /nfs/dbraw/zinc/01/65/03/583016503.db2.gz QSBHZCDBKZNCJE-WDEREUQCSA-N 0 0 196.290 2.932 20 30 AFEDRN C=C(C)C(C)(C)C(=O)OCCC 819949476 583016536 /nfs/dbraw/zinc/01/65/36/583016536.db2.gz WIGMRGKADZGIOE-UHFFFAOYSA-N 0 0 170.252 2.542 20 30 AFEDRN C=C(C)C(C)(C)C(=O)OCC(C)C 819953033 583016539 /nfs/dbraw/zinc/01/65/39/583016539.db2.gz IKCMHNCGRJRGHK-UHFFFAOYSA-N 0 0 184.279 2.788 20 30 AFEDRN C=C(C)C(C)(C)C(=O)O[C@H](C)C1CC1 819960943 583016544 /nfs/dbraw/zinc/01/65/44/583016544.db2.gz KOVDKKVFURHILI-SECBINFHSA-N 0 0 196.290 2.930 20 30 AFEDRN C=CC[C@H](C)NC(=O)[C@@H](CC)CCC 820066733 583016878 /nfs/dbraw/zinc/01/68/78/583016878.db2.gz ZDAFDZASRKPNEB-QWRGUYRKSA-N 0 0 197.322 2.894 20 30 AFEDRN C=C(C)COC(=O)C(C)(C)C(=C)C 819953959 583016881 /nfs/dbraw/zinc/01/68/81/583016881.db2.gz YDYHOXSXNGQAHY-UHFFFAOYSA-N 0 0 182.263 2.708 20 30 AFEDRN C=CC[C@@H](C)NC(=O)[C@H](CC)CCC 820066731 583016976 /nfs/dbraw/zinc/01/69/76/583016976.db2.gz ZDAFDZASRKPNEB-GHMZBOCLSA-N 0 0 197.322 2.894 20 30 AFEDRN C=CCCOC(=O)C(C)(C)C(=C)C 819954493 583016985 /nfs/dbraw/zinc/01/69/85/583016985.db2.gz WXUOMGSEKNJQOQ-UHFFFAOYSA-N 0 0 182.263 2.708 20 30 AFEDRN C=CC[C@@H](C)NC(=O)[C@@H](CC)CCC 820066732 583016997 /nfs/dbraw/zinc/01/69/97/583016997.db2.gz ZDAFDZASRKPNEB-MNOVXSKESA-N 0 0 197.322 2.894 20 30 AFEDRN C=C(C)C(C)(C)C(=O)O[C@H](C)CC 819959822 583017103 /nfs/dbraw/zinc/01/71/03/583017103.db2.gz NFIWBGZASWKNEN-SECBINFHSA-N 0 0 184.279 2.930 20 30 AFEDRN C=C(C)C(C)(C)C(=O)O[C@@H](C)CC 819959823 583017212 /nfs/dbraw/zinc/01/72/12/583017212.db2.gz NFIWBGZASWKNEN-VIFPVBQESA-N 0 0 184.279 2.930 20 30 AFEDRN C=CCCOC(=O)[C@@H]1CCCC[C@H]1C 819954335 583017225 /nfs/dbraw/zinc/01/72/25/583017225.db2.gz QSBHZCDBKZNCJE-GHMZBOCLSA-N 0 0 196.290 2.932 20 30 AFEDRN C=CC[C@H](C)NC(=O)[C@H](CC)CCC 820066734 583017226 /nfs/dbraw/zinc/01/72/26/583017226.db2.gz ZDAFDZASRKPNEB-WDEREUQCSA-N 0 0 197.322 2.894 20 30 AFEDRN C=C(C)C(C)(C)C(=O)OCC1CCC1 820111529 583017593 /nfs/dbraw/zinc/01/75/93/583017593.db2.gz TXSQMJIYFZACNT-UHFFFAOYSA-N 0 0 196.290 2.932 20 30 AFEDRN C=C(C)C(C)(C)C(=O)OC1CCC1 820162353 583017929 /nfs/dbraw/zinc/01/79/29/583017929.db2.gz RCKXZZQBCBDWEO-UHFFFAOYSA-N 0 0 182.263 2.684 20 30 AFEDRN C=C(C)C(C)(C)C(=O)OCCC1CC1 820146035 583018328 /nfs/dbraw/zinc/01/83/28/583018328.db2.gz ZDGFSLZNRKKESV-UHFFFAOYSA-N 0 0 196.290 2.932 20 30 AFEDRN C=C(C)C(C)(C)C(=O)O[C@H]1C=CCC1 820551368 583022441 /nfs/dbraw/zinc/02/24/41/583022441.db2.gz VTDZREBXZIRKKW-JTQLQIEISA-N 0 0 194.274 2.851 20 30 AFEDRN C=C(C)C(C)(C)C(=O)O[C@@H]1C=CCC1 820551369 583022564 /nfs/dbraw/zinc/02/25/64/583022564.db2.gz VTDZREBXZIRKKW-SNVBAGLBSA-N 0 0 194.274 2.851 20 30 AFEDRN C#C[C@H](CC)OC(=O)C(C)(C)C(=C)C 820638682 583023146 /nfs/dbraw/zinc/02/31/46/583023146.db2.gz LQVPPNHTVIMQSC-SNVBAGLBSA-N 0 0 194.274 2.544 20 30 AFEDRN C#C[C@@H](CC)OC(=O)C(C)(C)C(=C)C 820638681 583023371 /nfs/dbraw/zinc/02/33/71/583023371.db2.gz LQVPPNHTVIMQSC-JTQLQIEISA-N 0 0 194.274 2.544 20 30 AFEDRN C=C[C@H](C)OC(=O)[C@H]1CCCC[C@@H]1C 820704804 583023924 /nfs/dbraw/zinc/02/39/24/583023924.db2.gz JZGDTZLWQSYYSY-DCAQKATOSA-N 0 0 196.290 2.930 20 30 AFEDRN C=C[C@H](C)OC(=O)[C@H]1CCCC[C@H]1C 820704811 583024254 /nfs/dbraw/zinc/02/42/54/583024254.db2.gz JZGDTZLWQSYYSY-VWYCJHECSA-N 0 0 196.290 2.930 20 30 AFEDRN C=C[C@H](C)OC(=O)C(C)(C)C(=C)C 820706808 583024290 /nfs/dbraw/zinc/02/42/90/583024290.db2.gz ZUCGIYUHVPEQTH-VIFPVBQESA-N 0 0 182.263 2.706 20 30 AFEDRN C=C[C@H](C)OC(=O)[C@@H]1CCCC[C@@H]1C 820704806 583024422 /nfs/dbraw/zinc/02/44/22/583024422.db2.gz JZGDTZLWQSYYSY-GARJFASQSA-N 0 0 196.290 2.930 20 30 AFEDRN C=C[C@H](C)OC(=O)[C@@H]1CCCC[C@H]1C 820704808 583024454 /nfs/dbraw/zinc/02/44/54/583024454.db2.gz JZGDTZLWQSYYSY-OUAUKWLOSA-N 0 0 196.290 2.930 20 30 AFEDRN C=C[C@@H](C)OC(=O)C(C)(C)C(=C)C 820706806 583024511 /nfs/dbraw/zinc/02/45/11/583024511.db2.gz ZUCGIYUHVPEQTH-SECBINFHSA-N 0 0 182.263 2.706 20 30 AFEDRN C=C[C@@H](C)NC(=O)[C@H](CC)CCC 820769873 583024864 /nfs/dbraw/zinc/02/48/64/583024864.db2.gz MHFUVWDUYGSSLL-NXEZZACHSA-N 0 0 183.295 2.503 20 30 AFEDRN C=C[C@H](C)NC(=O)[C@H](CC)CCC 820769875 583025041 /nfs/dbraw/zinc/02/50/41/583025041.db2.gz MHFUVWDUYGSSLL-VHSXEESVSA-N 0 0 183.295 2.503 20 30 AFEDRN C=C[C@H](C)NC(=O)[C@@H](CC)CCC 820769874 583025178 /nfs/dbraw/zinc/02/51/78/583025178.db2.gz MHFUVWDUYGSSLL-UWVGGRQHSA-N 0 0 183.295 2.503 20 30 AFEDRN C=C[C@@H](C)NC(=O)[C@@H](CC)CCC 820769876 583025224 /nfs/dbraw/zinc/02/52/24/583025224.db2.gz MHFUVWDUYGSSLL-ZJUUUORDSA-N 0 0 183.295 2.503 20 30 AFEDRN C=C[C@@H](CC)CC(=O)NC1(CC)CC1 821105341 583026806 /nfs/dbraw/zinc/02/68/06/583026806.db2.gz KBEMZSIJKKKAHY-JTQLQIEISA-N 0 0 195.306 2.648 20 30 AFEDRN C=C[C@H](CC)CC(=O)N[C@H](C)C1CC1 821179700 583026830 /nfs/dbraw/zinc/02/68/30/583026830.db2.gz RKTZYKXZPUGCMW-NXEZZACHSA-N 0 0 195.306 2.503 20 30 AFEDRN C=C[C@@H](CC)CC(=O)N[C@H](C)C1CC1 821179701 583026934 /nfs/dbraw/zinc/02/69/34/583026934.db2.gz RKTZYKXZPUGCMW-ZJUUUORDSA-N 0 0 195.306 2.503 20 30 AFEDRN C=C[C@H](CC)CC(=O)NC1(CC)CC1 821105342 583027005 /nfs/dbraw/zinc/02/70/05/583027005.db2.gz KBEMZSIJKKKAHY-SNVBAGLBSA-N 0 0 195.306 2.648 20 30 AFEDRN C=C[C@H](CC)CC(=O)NC/C=C\CC 821309493 583027873 /nfs/dbraw/zinc/02/78/73/583027873.db2.gz SIMOSANYSWNREW-SKVAFPRGSA-N 0 0 195.306 2.671 20 30 AFEDRN C=C[C@@H](CC)CC(=O)NC/C=C\CC 821309495 583027882 /nfs/dbraw/zinc/02/78/82/583027882.db2.gz SIMOSANYSWNREW-TVRMLOFPSA-N 0 0 195.306 2.671 20 30 AFEDRN C=C[C@H](CC)CC(=O)NC/C=C/CC 821309497 583028073 /nfs/dbraw/zinc/02/80/73/583028073.db2.gz SIMOSANYSWNREW-WSKFYRRCSA-N 0 0 195.306 2.671 20 30 AFEDRN C=C[C@@H](CC)CC(=O)NC/C=C/CC 821309490 583028211 /nfs/dbraw/zinc/02/82/11/583028211.db2.gz SIMOSANYSWNREW-AEZGRPFRSA-N 0 0 195.306 2.671 20 30 AFEDRN C=C[C@@H](CC)CC(=O)NCCC(=C)C 821413384 583029838 /nfs/dbraw/zinc/02/98/38/583029838.db2.gz WSLLCTGYLXENCH-NSHDSACASA-N 0 0 195.306 2.671 20 30 AFEDRN C=C(C)CCNC(=O)CCC1(C)CC1 821407492 583030007 /nfs/dbraw/zinc/03/00/07/583030007.db2.gz OSNOOWNLLNGXBG-UHFFFAOYSA-N 0 0 195.306 2.649 20 30 AFEDRN C=C[C@H](CC)CC(=O)NCCC(=C)C 821413382 583030166 /nfs/dbraw/zinc/03/01/66/583030166.db2.gz WSLLCTGYLXENCH-LLVKDONJSA-N 0 0 195.306 2.671 20 30 AFEDRN C=C(C)CN(C)C(=O)[C@@H](CC)CCC 821761145 583031835 /nfs/dbraw/zinc/03/18/35/583031835.db2.gz OBVRTHAXCOOZIP-NSHDSACASA-N 0 0 197.322 2.847 20 30 AFEDRN C=C(C)CN(C)C(=O)[C@H](CC)CCC 821761144 583032354 /nfs/dbraw/zinc/03/23/54/583032354.db2.gz OBVRTHAXCOOZIP-LLVKDONJSA-N 0 0 197.322 2.847 20 30 AFEDRN C=C(CC)CNC(=O)CCC1(C)CC1 822012953 583033033 /nfs/dbraw/zinc/03/30/33/583033033.db2.gz SUSZHHGUUMAHDJ-UHFFFAOYSA-N 0 0 195.306 2.649 20 30 AFEDRN C=C[C@@H](CC)CC(=O)NCC(=C)CC 822013124 583033152 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