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ZINC001188538326 761582642 /nfs/dbraw/zinc/58/26/42/761582642.db2.gz BICFJQWZVUFOJE-VIFPVBQESA-N 0 0 196.290 3.882 20 30 AHEDRN C=CC[C@@H](C)Sc1cccs1 ZINC001188635764 761584956 /nfs/dbraw/zinc/58/49/56/761584956.db2.gz SHZFXYMXCCICAV-MRVPVSSYSA-N 0 0 184.329 3.805 20 30 AHEDRN C=CC[C@H](C)Sc1cccs1 ZINC001188635765 761581188 /nfs/dbraw/zinc/58/11/88/761581188.db2.gz SHZFXYMXCCICAV-QMMMGPOBSA-N 0 0 184.329 3.805 20 30 AHEDRN C=CC[C@@H](C)Sc1ccoc1C ZINC001189119894 761589074 /nfs/dbraw/zinc/58/90/74/761589074.db2.gz GAEAPKJLGLHTNV-MRVPVSSYSA-N 0 0 182.288 3.645 20 30 AHEDRN C=CC[C@H](C)Sc1ccoc1C ZINC001189119895 761590478 /nfs/dbraw/zinc/59/04/78/761590478.db2.gz GAEAPKJLGLHTNV-QMMMGPOBSA-N 0 0 182.288 3.645 20 30 AHEDRN C=CCSCC(C)(C)C(C)C ZINC001190103094 761592897 /nfs/dbraw/zinc/59/28/97/761592897.db2.gz GZKRQGFONPMMRP-UHFFFAOYSA-N 0 0 172.337 3.588 20 30 AHEDRN C=CCCSCC(C)(C)C(C)C ZINC001190103136 761593336 /nfs/dbraw/zinc/59/33/36/761593336.db2.gz IQZLMBGATCGPJI-UHFFFAOYSA-N 0 0 186.364 3.978 20 30 AHEDRN C#C[C@@H](OC(C)C)[C@H](CC)CCCC ZINC001204605283 761854965 /nfs/dbraw/zinc/85/49/65/761854965.db2.gz RODADIVLCARAGE-CHWSQXEVSA-N 0 0 196.334 3.630 20 30 AHEDRN C#C[C@H](OC(C)C)[C@H](CC)CCCC ZINC001204605290 761855037 /nfs/dbraw/zinc/85/50/37/761855037.db2.gz RODADIVLCARAGE-OLZOCXBDSA-N 0 0 196.334 3.630 20 30 AHEDRN C#C[C@@H](OC(C)C)[C@@H](CC)CCCC ZINC001204605291 761855918 /nfs/dbraw/zinc/85/59/18/761855918.db2.gz RODADIVLCARAGE-QWHCGFSZSA-N 0 0 196.334 3.630 20 30 AHEDRN C#C[C@H](OC(C)C)[C@@H](CC)CCCC ZINC001204605294 761855450 /nfs/dbraw/zinc/85/54/50/761855450.db2.gz RODADIVLCARAGE-STQMWFEESA-N 0 0 196.334 3.630 20 30 AHEDRN C=C[C@H](CCCCC)OC(C)C ZINC001204605512 761855223 /nfs/dbraw/zinc/85/52/23/761855223.db2.gz VCVQPIOGGBYDKR-LLVKDONJSA-N 0 0 170.296 3.546 20 30 AHEDRN C=C[C@@H](CCCCC)OC(C)C ZINC001204605513 761856522 /nfs/dbraw/zinc/85/65/22/761856522.db2.gz VCVQPIOGGBYDKR-NSHDSACASA-N 0 0 170.296 3.546 20 30 AHEDRN C=C[C@H](CCCCCC)OC(C)C ZINC001204610905 761856787 /nfs/dbraw/zinc/85/67/87/761856787.db2.gz HEAHABPBHXHPJO-GFCCVEGCSA-N 0 0 184.323 3.936 20 30 AHEDRN C=C[C@@H](CCCCCC)OC(C)C ZINC001204610906 761857207 /nfs/dbraw/zinc/85/72/07/761857207.db2.gz HEAHABPBHXHPJO-LBPRGKRZSA-N 0 0 184.323 3.936 20 30 AHEDRN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(C)C ZINC001204611350 761857293 /nfs/dbraw/zinc/85/72/93/761857293.db2.gz MDTIXSCDKYAGAP-AGIUHOORSA-N 0 0 196.334 3.792 20 30 AHEDRN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(C)C ZINC001204611351 761858240 /nfs/dbraw/zinc/85/82/40/761858240.db2.gz MDTIXSCDKYAGAP-AVGNSLFASA-N 0 0 196.334 3.792 20 30 AHEDRN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)C ZINC001204611352 761857848 /nfs/dbraw/zinc/85/78/48/761857848.db2.gz MDTIXSCDKYAGAP-FRRDWIJNSA-N 0 0 196.334 3.792 20 30 AHEDRN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OC(C)C ZINC001204611353 761856878 /nfs/dbraw/zinc/85/68/78/761856878.db2.gz MDTIXSCDKYAGAP-RWMBFGLXSA-N 0 0 196.334 3.792 20 30 AHEDRN C=CC[C@H](CCCC)OC(C)C ZINC001204611872 761856998 /nfs/dbraw/zinc/85/69/98/761856998.db2.gz QFKMRPJYLIQENN-LLVKDONJSA-N 0 0 170.296 3.546 20 30 AHEDRN C=CC[C@@H](CCCC)OC(C)C ZINC001204611881 761857277 /nfs/dbraw/zinc/85/72/77/761857277.db2.gz QFKMRPJYLIQENN-NSHDSACASA-N 0 0 170.296 3.546 20 30 AHEDRN C=C[C@@H](CCCCC)O[C@H](C)CC ZINC001204623220 761859774 /nfs/dbraw/zinc/85/97/74/761859774.db2.gz SKDADBZXSDATIE-NEPJUHHUSA-N 0 0 184.323 3.936 20 30 AHEDRN C=C[C@H](CCCCC)O[C@@H](C)CC ZINC001204623221 761858844 /nfs/dbraw/zinc/85/88/44/761858844.db2.gz SKDADBZXSDATIE-NWDGAFQWSA-N 0 0 184.323 3.936 20 30 AHEDRN C=C[C@@H](CCCCC)O[C@@H](C)CC ZINC001204623222 761859331 /nfs/dbraw/zinc/85/93/31/761859331.db2.gz SKDADBZXSDATIE-RYUDHWBXSA-N 0 0 184.323 3.936 20 30 AHEDRN C=C[C@H](CCCCC)O[C@H](C)CC ZINC001204623223 761860116 /nfs/dbraw/zinc/86/01/16/761860116.db2.gz SKDADBZXSDATIE-VXGBXAGGSA-N 0 0 184.323 3.936 20 30 AHEDRN C=CC[C@H](CCC)O[C@H](C)CC ZINC001204623435 761859834 /nfs/dbraw/zinc/85/98/34/761859834.db2.gz VNPOECWWPYVDIZ-GHMZBOCLSA-N 0 0 170.296 3.546 20 30 AHEDRN C=CC[C@@H](CCC)O[C@H](C)CC ZINC001204623439 761859090 /nfs/dbraw/zinc/85/90/90/761859090.db2.gz VNPOECWWPYVDIZ-MNOVXSKESA-N 0 0 170.296 3.546 20 30 AHEDRN C=CC[C@@H](CCC)O[C@@H](C)CC ZINC001204623441 761860158 /nfs/dbraw/zinc/86/01/58/761860158.db2.gz VNPOECWWPYVDIZ-QWRGUYRKSA-N 0 0 170.296 3.546 20 30 AHEDRN C=CC[C@H](CCC)O[C@@H](C)CC ZINC001204623442 761859828 /nfs/dbraw/zinc/85/98/28/761859828.db2.gz VNPOECWWPYVDIZ-WDEREUQCSA-N 0 0 170.296 3.546 20 30 AHEDRN C=C[C@H](CCCC)O[C@H](C)CC ZINC001204629054 761860914 /nfs/dbraw/zinc/86/09/14/761860914.db2.gz FSUQJJXMBHOQFP-GHMZBOCLSA-N 0 0 170.296 3.546 20 30 AHEDRN C=C[C@@H](CCCC)O[C@H](C)CC ZINC001204629055 761861878 /nfs/dbraw/zinc/86/18/78/761861878.db2.gz FSUQJJXMBHOQFP-MNOVXSKESA-N 0 0 170.296 3.546 20 30 AHEDRN C=C[C@@H](CCCC)O[C@@H](C)CC ZINC001204629056 761861540 /nfs/dbraw/zinc/86/15/40/761861540.db2.gz FSUQJJXMBHOQFP-QWRGUYRKSA-N 0 0 170.296 3.546 20 30 AHEDRN C=C[C@H](CCCC)O[C@@H](C)CC ZINC001204629057 761860480 /nfs/dbraw/zinc/86/04/80/761860480.db2.gz FSUQJJXMBHOQFP-WDEREUQCSA-N 0 0 170.296 3.546 20 30 AHEDRN C=C(C)C[C@H](O[C@H](C)CC)C(=C)C ZINC001204629352 761861320 /nfs/dbraw/zinc/86/13/20/761861320.db2.gz KCDRPDLPNYDLNX-NEPJUHHUSA-N 0 0 182.307 3.712 20 30 AHEDRN C=C(C)C[C@@H](O[C@@H](C)CC)C(=C)C ZINC001204629353 761860874 /nfs/dbraw/zinc/86/08/74/761860874.db2.gz KCDRPDLPNYDLNX-NWDGAFQWSA-N 0 0 182.307 3.712 20 30 AHEDRN C=C(C)C[C@H](O[C@@H](C)CC)C(=C)C ZINC001204629354 761860416 /nfs/dbraw/zinc/86/04/16/761860416.db2.gz KCDRPDLPNYDLNX-RYUDHWBXSA-N 0 0 182.307 3.712 20 30 AHEDRN C=C(C)C[C@@H](O[C@H](C)CC)C(=C)C ZINC001204629355 761861513 /nfs/dbraw/zinc/86/15/13/761861513.db2.gz KCDRPDLPNYDLNX-VXGBXAGGSA-N 0 0 182.307 3.712 20 30 AHEDRN C=CC[C@@H](CCCC)O[C@H](C)CC ZINC001204629556 761861150 /nfs/dbraw/zinc/86/11/50/761861150.db2.gz MJTCAKHABUNKCY-NEPJUHHUSA-N 0 0 184.323 3.936 20 30 AHEDRN C=CC[C@H](CCCC)O[C@@H](C)CC ZINC001204629557 761861615 /nfs/dbraw/zinc/86/16/15/761861615.db2.gz MJTCAKHABUNKCY-NWDGAFQWSA-N 0 0 184.323 3.936 20 30 AHEDRN C=CC[C@@H](CCCC)O[C@@H](C)CC ZINC001204629740 761861682 /nfs/dbraw/zinc/86/16/82/761861682.db2.gz MJTCAKHABUNKCY-RYUDHWBXSA-N 0 0 184.323 3.936 20 30 AHEDRN C=CC[C@H](CCCC)O[C@H](C)CC ZINC001204629741 761861051 /nfs/dbraw/zinc/86/10/51/761861051.db2.gz MJTCAKHABUNKCY-VXGBXAGGSA-N 0 0 184.323 3.936 20 30 AHEDRN C=CCC[C@@H](CC)O[C@H](C)CC ZINC001204630509 761861262 /nfs/dbraw/zinc/86/12/62/761861262.db2.gz SICAKWGXRICTGG-GHMZBOCLSA-N 0 0 170.296 3.546 20 30 AHEDRN C=CCC[C@H](CC)O[C@H](C)CC ZINC001204630510 761861364 /nfs/dbraw/zinc/86/13/64/761861364.db2.gz SICAKWGXRICTGG-MNOVXSKESA-N 0 0 170.296 3.546 20 30 AHEDRN C=CCC[C@H](CC)O[C@@H](C)CC ZINC001204630511 761860692 /nfs/dbraw/zinc/86/06/92/761860692.db2.gz SICAKWGXRICTGG-QWRGUYRKSA-N 0 0 170.296 3.546 20 30 AHEDRN C=CCC[C@@H](CC)O[C@@H](C)CC ZINC001204630512 761861059 /nfs/dbraw/zinc/86/10/59/761861059.db2.gz SICAKWGXRICTGG-WDEREUQCSA-N 0 0 170.296 3.546 20 30 AHEDRN C=C[C@H](CCC)OCc1ccccc1 ZINC001204638006 761863490 /nfs/dbraw/zinc/86/34/90/761863490.db2.gz BRYUECOXACNRJC-CYBMUJFWSA-N 0 0 190.286 3.558 20 30 AHEDRN C=C[C@@H](CCC)OCc1ccccc1 ZINC001204638007 761862848 /nfs/dbraw/zinc/86/28/48/761862848.db2.gz BRYUECOXACNRJC-ZDUSSCGKSA-N 0 0 190.286 3.558 20 30 AHEDRN C#C[C@H](CCCCC)OCC(C)(C)C ZINC001204877423 761868699 /nfs/dbraw/zinc/86/86/99/761868699.db2.gz HKCSZQRYUOKRLC-GFCCVEGCSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CCCCC)OCC(C)(C)C ZINC001204877424 761868781 /nfs/dbraw/zinc/86/87/81/761868781.db2.gz HKCSZQRYUOKRLC-LBPRGKRZSA-N 0 0 196.334 3.631 20 30 AHEDRN C=CC[C@@H](OCC(C)(C)C)C(C)C ZINC001204886423 761869082 /nfs/dbraw/zinc/86/90/82/761869082.db2.gz HWLPSAVVDJCEGY-LLVKDONJSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CC[C@H](OCC(C)(C)C)C(C)C ZINC001204886424 761869465 /nfs/dbraw/zinc/86/94/65/761869465.db2.gz HWLPSAVVDJCEGY-NSHDSACASA-N 0 0 184.323 3.650 20 30 AHEDRN C=C[C@H](CCCC)OCC(C)(C)C ZINC001204886767 761870464 /nfs/dbraw/zinc/87/04/64/761870464.db2.gz MCQHIZLHIRIYOE-LLVKDONJSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@@H](CCCC)OCC(C)(C)C ZINC001204886768 761869392 /nfs/dbraw/zinc/86/93/92/761869392.db2.gz MCQHIZLHIRIYOE-NSHDSACASA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)C[C@@H](OCC(C)(C)C)C(=C)C ZINC001204887201 761870157 /nfs/dbraw/zinc/87/01/57/761870157.db2.gz QVPQRFPPHDONPJ-GFCCVEGCSA-N 0 0 196.334 3.960 20 30 AHEDRN C=C(C)C[C@H](OCC(C)(C)C)C(=C)C ZINC001204887202 761869899 /nfs/dbraw/zinc/86/98/99/761869899.db2.gz QVPQRFPPHDONPJ-LBPRGKRZSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CCC[C@@H](CC)OCC(C)(C)C ZINC001204887303 761869139 /nfs/dbraw/zinc/86/91/39/761869139.db2.gz RPHICMHAWKPIPN-LLVKDONJSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC[C@H](CC)OCC(C)(C)C ZINC001204887304 761869410 /nfs/dbraw/zinc/86/94/10/761869410.db2.gz RPHICMHAWKPIPN-NSHDSACASA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@H](CCC)OCC(C)(C)C ZINC001204887411 761869229 /nfs/dbraw/zinc/86/92/29/761869229.db2.gz VAMLEKCCOAGEIW-LLVKDONJSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@@H](CCC)OCC(C)(C)C ZINC001204887412 761869560 /nfs/dbraw/zinc/86/95/60/761869560.db2.gz VAMLEKCCOAGEIW-NSHDSACASA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@H](CCCCC)OCC(C)C ZINC001204922904 761871474 /nfs/dbraw/zinc/87/14/74/761871474.db2.gz GDRUHUCFMBPUAM-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@@H](CCCCC)OCC(C)C ZINC001204922906 761871221 /nfs/dbraw/zinc/87/12/21/761871221.db2.gz GDRUHUCFMBPUAM-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC(CC=C)OCC(CC)CC ZINC001204931565 761872509 /nfs/dbraw/zinc/87/25/09/761872509.db2.gz UHDQFGJDNSVROB-UHFFFAOYSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CC[C@H](CCCC)OCC(C)C ZINC001204931660 761873426 /nfs/dbraw/zinc/87/34/26/761873426.db2.gz VLUUQMQPNSYBMY-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@@H](CCCC)OCC(C)C ZINC001204931662 761872739 /nfs/dbraw/zinc/87/27/39/761872739.db2.gz VLUUQMQPNSYBMY-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)C[C@@H](OCC(C)C)C(=C)C ZINC001204931948 761872506 /nfs/dbraw/zinc/87/25/06/761872506.db2.gz XDXLFGOTSNVLRV-GFCCVEGCSA-N 0 0 182.307 3.570 20 30 AHEDRN C=C(C)C[C@H](OCC(C)C)C(=C)C ZINC001204931949 761873123 /nfs/dbraw/zinc/87/31/23/761873123.db2.gz XDXLFGOTSNVLRV-LBPRGKRZSA-N 0 0 182.307 3.570 20 30 AHEDRN C#C[C@H](CCCC)OCC(CC)CC ZINC001204938327 761873025 /nfs/dbraw/zinc/87/30/25/761873025.db2.gz FDWRBLUOVJLKFT-CYBMUJFWSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CCCC)OCC(CC)CC ZINC001204938329 761872312 /nfs/dbraw/zinc/87/23/12/761872312.db2.gz FDWRBLUOVJLKFT-ZDUSSCGKSA-N 0 0 196.334 3.631 20 30 AHEDRN CC#CC[C@@H](CC)OCC(CC)CC ZINC001204938411 761873429 /nfs/dbraw/zinc/87/34/29/761873429.db2.gz HKPSPDGVUYLNBH-CYBMUJFWSA-N 0 0 196.334 3.631 20 30 AHEDRN CC#CC[C@H](CC)OCC(CC)CC ZINC001204938412 761873757 /nfs/dbraw/zinc/87/37/57/761873757.db2.gz HKPSPDGVUYLNBH-ZDUSSCGKSA-N 0 0 196.334 3.631 20 30 AHEDRN C=C[C@H](CCC)OCC(CC)CC ZINC001204939482 761875095 /nfs/dbraw/zinc/87/50/95/761875095.db2.gz QQVHWCCLMVSEOI-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@@H](CCC)OCC(CC)CC ZINC001204939484 761874447 /nfs/dbraw/zinc/87/44/47/761874447.db2.gz QQVHWCCLMVSEOI-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@@H](C=C)OCC(CC)CC ZINC001204945216 761875298 /nfs/dbraw/zinc/87/52/98/761875298.db2.gz SUBJEPNEDKBFMR-GFCCVEGCSA-N 0 0 182.307 3.570 20 30 AHEDRN C=CC[C@H](C=C)OCC(CC)CC ZINC001204945217 761874267 /nfs/dbraw/zinc/87/42/67/761874267.db2.gz SUBJEPNEDKBFMR-LBPRGKRZSA-N 0 0 182.307 3.570 20 30 AHEDRN C=C[C@H](CCCCCCC)OCC ZINC001204950712 761874696 /nfs/dbraw/zinc/87/46/96/761874696.db2.gz AZKOOEZIVWRSLH-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@@H](CCCCCCC)OCC ZINC001204950713 761875090 /nfs/dbraw/zinc/87/50/90/761875090.db2.gz AZKOOEZIVWRSLH-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCCCC[C@@H](C)OCC ZINC001204951011 761874846 /nfs/dbraw/zinc/87/48/46/761874846.db2.gz FZLKUXJHSATTGP-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@H](CCCCCC)OCC ZINC001204951016 761874907 /nfs/dbraw/zinc/87/49/07/761874907.db2.gz GFZHMKJBLBRUHS-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C[C@@H](CCCCCC)OCC ZINC001204951017 761874055 /nfs/dbraw/zinc/87/40/55/761874055.db2.gz GFZHMKJBLBRUHS-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C#CCO[C@H](CCCC)CCCCC ZINC001205011828 761883056 /nfs/dbraw/zinc/88/30/56/761883056.db2.gz BNOAZAUTGCIHMW-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CCO[C@@H](CCCC)CCCCC ZINC001205011830 761884062 /nfs/dbraw/zinc/88/40/62/761884062.db2.gz BNOAZAUTGCIHMW-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CCO[C@H](C)CCCCCCC=C ZINC001205011874 761883257 /nfs/dbraw/zinc/88/32/57/761883257.db2.gz CBTJWLBCHJEMIE-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#CCO[C@H](C=C)CCCCCCC ZINC001205012123 761883560 /nfs/dbraw/zinc/88/35/60/761883560.db2.gz HYLSYXGPWUUCGZ-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#CCO[C@@H](C=C)CCCCCCC ZINC001205012124 761883876 /nfs/dbraw/zinc/88/38/76/761883876.db2.gz HYLSYXGPWUUCGZ-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C#CCO[C@H](CC)CCCCCCC ZINC001205012564 761883581 /nfs/dbraw/zinc/88/35/81/761883581.db2.gz QMRRRLIKJOIPSP-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CCO[C@@H](CC)CCCCCCC ZINC001205012565 761882922 /nfs/dbraw/zinc/88/29/22/761882922.db2.gz QMRRRLIKJOIPSP-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CCO[C@H](CCCC)[C@H](C)CCC ZINC001205012575 761883327 /nfs/dbraw/zinc/88/33/27/761883327.db2.gz QWWKVSCIIHSKRC-CHWSQXEVSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@@H](CCCC)[C@H](C)CCC ZINC001205012576 761882877 /nfs/dbraw/zinc/88/28/77/761882877.db2.gz QWWKVSCIIHSKRC-OLZOCXBDSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@H](CCCC)[C@@H](C)CCC ZINC001205012577 761883657 /nfs/dbraw/zinc/88/36/57/761883657.db2.gz QWWKVSCIIHSKRC-QWHCGFSZSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@@H](CCCC)[C@@H](C)CCC ZINC001205012578 761883278 /nfs/dbraw/zinc/88/32/78/761883278.db2.gz QWWKVSCIIHSKRC-STQMWFEESA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@H](C)C[C@H](CC)CCCC ZINC001205012625 761883783 /nfs/dbraw/zinc/88/37/83/761883783.db2.gz SEUSJCMLZMCIJQ-CHWSQXEVSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@H](C)C[C@@H](CC)CCCC ZINC001205012626 761884165 /nfs/dbraw/zinc/88/41/65/761884165.db2.gz SEUSJCMLZMCIJQ-OLZOCXBDSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@@H](C)C[C@H](CC)CCCC ZINC001205012627 761883070 /nfs/dbraw/zinc/88/30/70/761883070.db2.gz SEUSJCMLZMCIJQ-QWHCGFSZSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@@H](C)C[C@@H](CC)CCCC ZINC001205012628 761883641 /nfs/dbraw/zinc/88/36/41/761883641.db2.gz SEUSJCMLZMCIJQ-STQMWFEESA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@H](CCC)CCCCCC ZINC001205012773 761884681 /nfs/dbraw/zinc/88/46/81/761884681.db2.gz VBQVNYNIVALHCQ-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CCO[C@@H](CCC)CCCCCC ZINC001205012774 761884552 /nfs/dbraw/zinc/88/45/52/761884552.db2.gz VBQVNYNIVALHCQ-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CCO[C@H](CC)[C@H](CC)CCCC ZINC001205012864 761885418 /nfs/dbraw/zinc/88/54/18/761885418.db2.gz XGMFTAQVWOUHQR-CHWSQXEVSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@@H](CC)[C@H](CC)CCCC ZINC001205012865 761884660 /nfs/dbraw/zinc/88/46/60/761884660.db2.gz XGMFTAQVWOUHQR-OLZOCXBDSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@H](CC)[C@@H](CC)CCCC ZINC001205012866 761885099 /nfs/dbraw/zinc/88/50/99/761885099.db2.gz XGMFTAQVWOUHQR-QWHCGFSZSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CCO[C@@H](CC)[C@@H](CC)CCCC ZINC001205012867 761885724 /nfs/dbraw/zinc/88/57/24/761885724.db2.gz XGMFTAQVWOUHQR-STQMWFEESA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](CCCCC)OCC=C(C)C ZINC001205019212 761885943 /nfs/dbraw/zinc/88/59/43/761885943.db2.gz ONVUYWCVYHESBY-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#C[C@@H](CCCCC)OCC=C(C)C ZINC001205019213 761884920 /nfs/dbraw/zinc/88/49/20/761884920.db2.gz ONVUYWCVYHESBY-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CC[C@H](CCC)OCC=C(C)C ZINC001205019613 761885555 /nfs/dbraw/zinc/88/55/55/761885555.db2.gz YKXJLSKGJRPQEP-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CC[C@@H](CCC)OCC=C(C)C ZINC001205019614 761885336 /nfs/dbraw/zinc/88/53/36/761885336.db2.gz YKXJLSKGJRPQEP-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@H](CCCC)OCC=C(C)C ZINC001205025922 761887052 /nfs/dbraw/zinc/88/70/52/761887052.db2.gz PVCVYTLMJWSTGN-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@@H](CCCC)OCC=C(C)C ZINC001205025923 761886585 /nfs/dbraw/zinc/88/65/85/761886585.db2.gz PVCVYTLMJWSTGN-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CC[C@@H](OCC=C(C)C)C(C)C ZINC001205026296 761886365 /nfs/dbraw/zinc/88/63/65/761886365.db2.gz WWESEYVXHXIHGQ-GFCCVEGCSA-N 0 0 182.307 3.570 20 30 AHEDRN C=CC[C@H](OCC=C(C)C)C(C)C ZINC001205026297 761887213 /nfs/dbraw/zinc/88/72/13/761887213.db2.gz WWESEYVXHXIHGQ-LBPRGKRZSA-N 0 0 182.307 3.570 20 30 AHEDRN C=C(C)C[C@@H](OCC=C(C)C)C(=C)C ZINC001205026414 761886941 /nfs/dbraw/zinc/88/69/41/761886941.db2.gz XUJMPTWRYKUNRY-CYBMUJFWSA-N 0 0 194.318 3.880 20 30 AHEDRN C=C(C)C[C@H](OCC=C(C)C)C(=C)C ZINC001205026418 761887821 /nfs/dbraw/zinc/88/78/21/761887821.db2.gz XUJMPTWRYKUNRY-ZDUSSCGKSA-N 0 0 194.318 3.880 20 30 AHEDRN C=CCC[C@@H](CC)OCC=C(C)C ZINC001205026426 761886975 /nfs/dbraw/zinc/88/69/75/761886975.db2.gz XYLOYDMWCIDTGP-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCC[C@H](CC)OCC=C(C)C ZINC001205026427 761887508 /nfs/dbraw/zinc/88/75/08/761887508.db2.gz XYLOYDMWCIDTGP-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCO[C@@H](c1ccccc1)C(C)C ZINC001205031752 761886958 /nfs/dbraw/zinc/88/69/58/761886958.db2.gz ITBNDTWLLWXUGF-CYBMUJFWSA-N 0 0 190.286 3.586 20 30 AHEDRN C=CCO[C@H](c1ccccc1)C(C)C ZINC001205031753 761887443 /nfs/dbraw/zinc/88/74/43/761887443.db2.gz ITBNDTWLLWXUGF-ZDUSSCGKSA-N 0 0 190.286 3.586 20 30 AHEDRN C=CCO[C@H](CC)CCCCC ZINC001205031865 761889370 /nfs/dbraw/zinc/88/93/70/761889370.db2.gz MPQGDIRENDEXQG-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCO[C@@H](CC)CCCCC ZINC001205031866 761888970 /nfs/dbraw/zinc/88/89/70/761888970.db2.gz MPQGDIRENDEXQG-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCO[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001205031906 761889485 /nfs/dbraw/zinc/88/94/85/761889485.db2.gz OGNXLODJDNORPG-FRRDWIJNSA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCO[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001205031907 761888766 /nfs/dbraw/zinc/88/87/66/761888766.db2.gz OGNXLODJDNORPG-JHJVBQTASA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCO[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001205031908 761889216 /nfs/dbraw/zinc/88/92/16/761889216.db2.gz OGNXLODJDNORPG-RWMBFGLXSA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCO[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001205031909 761888218 /nfs/dbraw/zinc/88/82/18/761888218.db2.gz OGNXLODJDNORPG-YNEHKIRRSA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCO[C@H](CCC)C1CCCCC1 ZINC001205031910 761888150 /nfs/dbraw/zinc/88/81/50/761888150.db2.gz OJEQXKGFCSAUMV-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCO[C@@H](CCC)C1CCCCC1 ZINC001205031911 761889292 /nfs/dbraw/zinc/88/92/92/761889292.db2.gz OJEQXKGFCSAUMV-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCO[C@H](C)c1ccccc1Cl ZINC001205031983 761888172 /nfs/dbraw/zinc/88/81/72/761888172.db2.gz SCYGHMDFKYTQJF-SECBINFHSA-N 0 0 196.677 3.604 20 30 AHEDRN C=CCO[C@H](C)c1ccc(C)cc1C ZINC001205031990 761888228 /nfs/dbraw/zinc/88/82/28/761888228.db2.gz SNHQTFRYTFOWGI-GFCCVEGCSA-N 0 0 190.286 3.567 20 30 AHEDRN C=CCO[C@@H](C)c1ccc(C)cc1C ZINC001205031991 761889218 /nfs/dbraw/zinc/88/92/18/761889218.db2.gz SNHQTFRYTFOWGI-LBPRGKRZSA-N 0 0 190.286 3.567 20 30 AHEDRN C=CCOC(CC(C)C)CC(C)C ZINC001205032003 761888818 /nfs/dbraw/zinc/88/88/18/761888818.db2.gz TXQZXMUPPSPODP-UHFFFAOYSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CCO[C@H](C)CCCCCCC ZINC001205032126 761888387 /nfs/dbraw/zinc/88/83/87/761888387.db2.gz YSOABFUHAIJPKM-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCO[C@@H](C)CCCCCCC ZINC001205032127 761888980 /nfs/dbraw/zinc/88/89/80/761888980.db2.gz YSOABFUHAIJPKM-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCO[C@@H](C)c1ccc(Cl)cc1 ZINC001205032150 761888988 /nfs/dbraw/zinc/88/89/88/761888988.db2.gz ZQQXSLNUBBXBIV-VIFPVBQESA-N 0 0 196.677 3.604 20 30 AHEDRN C=CCO[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC001205036664 761889396 /nfs/dbraw/zinc/88/93/96/761889396.db2.gz BTSNTMPYBNYSAI-HAQNSBGRSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCO[C@@H]1C[C@H](C)CC[C@H]1C(=C)C ZINC001205036781 761888564 /nfs/dbraw/zinc/88/85/64/761888564.db2.gz DUQCDNHLUPBFIU-FRRDWIJNSA-N 0 0 194.318 3.570 20 30 AHEDRN C=CCO[C@@H]1C[C@H](C)CC[C@@H]1C(=C)C ZINC001205036784 761889035 /nfs/dbraw/zinc/88/90/35/761889035.db2.gz DUQCDNHLUPBFIU-JHJVBQTASA-N 0 0 194.318 3.570 20 30 AHEDRN C=CCO[C@@H]1C[C@@H](C)CC[C@H]1C(=C)C ZINC001205036787 761889403 /nfs/dbraw/zinc/88/94/03/761889403.db2.gz DUQCDNHLUPBFIU-RWMBFGLXSA-N 0 0 194.318 3.570 20 30 AHEDRN C=CCO[C@@H]1C[C@@H](C)CC[C@@H]1C(=C)C ZINC001205036789 761889227 /nfs/dbraw/zinc/88/92/27/761889227.db2.gz DUQCDNHLUPBFIU-YNEHKIRRSA-N 0 0 194.318 3.570 20 30 AHEDRN C=CCO[C@H](CC)CCCCCC ZINC001205036873 761888565 /nfs/dbraw/zinc/88/85/65/761888565.db2.gz GCOWUPVEDJJNIM-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCO[C@@H](CC)CCCCCC ZINC001205036874 761888892 /nfs/dbraw/zinc/88/88/92/761888892.db2.gz GCOWUPVEDJJNIM-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCO[C@@H](C(C)C)[C@H](C)CCC ZINC001205037048 761888885 /nfs/dbraw/zinc/88/88/85/761888885.db2.gz JBMSSHXRWZWMCG-NEPJUHHUSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CCO[C@H](C(C)C)[C@@H](C)CCC ZINC001205037049 761889354 /nfs/dbraw/zinc/88/93/54/761889354.db2.gz JBMSSHXRWZWMCG-NWDGAFQWSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CCO[C@@H](C(C)C)[C@@H](C)CCC ZINC001205037050 761889449 /nfs/dbraw/zinc/88/94/49/761889449.db2.gz JBMSSHXRWZWMCG-RYUDHWBXSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CCO[C@H](C(C)C)[C@H](C)CCC ZINC001205037051 761888803 /nfs/dbraw/zinc/88/88/03/761888803.db2.gz JBMSSHXRWZWMCG-VXGBXAGGSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CCO[C@H](CCC)CCCC ZINC001205037094 761888932 /nfs/dbraw/zinc/88/89/32/761888932.db2.gz JPKUZFMUDNFCKM-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCO[C@@H](CCC)CCCC ZINC001205037096 761889054 /nfs/dbraw/zinc/88/90/54/761889054.db2.gz JPKUZFMUDNFCKM-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCO[C@H]1CCCC[C@H]1CCC ZINC001205037463 761889100 /nfs/dbraw/zinc/88/91/00/761889100.db2.gz ODTVQDWZACMHAQ-NEPJUHHUSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCO[C@@H]1CCCC[C@@H]1CCC ZINC001205037464 761889206 /nfs/dbraw/zinc/88/92/06/761889206.db2.gz ODTVQDWZACMHAQ-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCO[C@H]1CCCC[C@@H]1CCC ZINC001205037471 761888383 /nfs/dbraw/zinc/88/83/83/761888383.db2.gz ODTVQDWZACMHAQ-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCO[C@@H]1CCCC[C@H]1CCC ZINC001205037474 761889729 /nfs/dbraw/zinc/88/97/29/761889729.db2.gz ODTVQDWZACMHAQ-VXGBXAGGSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCOC1CCC(CCCC)CC1 ZINC001205037618 761890155 /nfs/dbraw/zinc/89/01/55/761890155.db2.gz PZJNRFCENIKJRZ-UHFFFAOYSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCO[C@H](C)c1cccc(Cl)c1 ZINC001205037636 761891234 /nfs/dbraw/zinc/89/12/34/761891234.db2.gz QHOLOHBMWFAQBM-SECBINFHSA-N 0 0 196.677 3.604 20 30 AHEDRN C=CCO[C@@H](C)c1cccc(Cl)c1 ZINC001205037638 761891075 /nfs/dbraw/zinc/89/10/75/761891075.db2.gz QHOLOHBMWFAQBM-VIFPVBQESA-N 0 0 196.677 3.604 20 30 AHEDRN C=CCO[C@H](CCC)c1ccccc1 ZINC001205037648 761890831 /nfs/dbraw/zinc/89/08/31/761890831.db2.gz QTUGINWQVGWKKK-CYBMUJFWSA-N 0 0 190.286 3.730 20 30 AHEDRN C=CCO[C@@H](CCC)c1ccccc1 ZINC001205037649 761890374 /nfs/dbraw/zinc/89/03/74/761890374.db2.gz QTUGINWQVGWKKK-ZDUSSCGKSA-N 0 0 190.286 3.730 20 30 AHEDRN C=CCO[C@H](CC)C1CCCCC1 ZINC001205037775 761890715 /nfs/dbraw/zinc/89/07/15/761890715.db2.gz SWGHSAKHRGPOHM-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCO[C@@H](CC)C1CCCCC1 ZINC001205037777 761890784 /nfs/dbraw/zinc/89/07/84/761890784.db2.gz SWGHSAKHRGPOHM-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCO[C@H](CCC)CCCCC ZINC001205037941 761890121 /nfs/dbraw/zinc/89/01/21/761890121.db2.gz WFOAYTQPDGNBNE-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCO[C@@H](CCC)CCCCC ZINC001205037943 761891451 /nfs/dbraw/zinc/89/14/51/761891451.db2.gz WFOAYTQPDGNBNE-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCO[C@H](CCCCC)C(C)C ZINC001205037987 761890431 /nfs/dbraw/zinc/89/04/31/761890431.db2.gz WYGKWOPLNFUMMQ-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCO[C@@H](CCCCC)C(C)C ZINC001205037994 761890511 /nfs/dbraw/zinc/89/05/11/761890511.db2.gz WYGKWOPLNFUMMQ-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCO[C@@H](/C=C/C)C1CCCCC1 ZINC001205038055 761891328 /nfs/dbraw/zinc/89/13/28/761891328.db2.gz XQALTKNSQPDMKC-UTPRNQHHSA-N 0 0 194.318 3.714 20 30 AHEDRN C=CCO[C@H](/C=C/C)C1CCCCC1 ZINC001205038059 761890478 /nfs/dbraw/zinc/89/04/78/761890478.db2.gz XQALTKNSQPDMKC-ZHAHRWAOSA-N 0 0 194.318 3.714 20 30 AHEDRN C=CCO[C@H](C=C)CCCCCC ZINC001205038135 761890838 /nfs/dbraw/zinc/89/08/38/761890838.db2.gz ZDMINUWUSQKUMI-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCO[C@@H](C=C)CCCCCC ZINC001205038136 761891232 /nfs/dbraw/zinc/89/12/32/761891232.db2.gz ZDMINUWUSQKUMI-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@H](CCCCC)OC/C=C/C ZINC001205044063 761892140 /nfs/dbraw/zinc/89/21/40/761892140.db2.gz ZCRZPBQNQGKPFX-FZKGZDJFSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@@H](CCCCC)OC/C=C/C ZINC001205044064 761892561 /nfs/dbraw/zinc/89/25/61/761892561.db2.gz ZCRZPBQNQGKPFX-ZCRIDZFUSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@H](OC/C=C/C)c1ccccc1 ZINC001205051508 761892438 /nfs/dbraw/zinc/89/24/38/761892438.db2.gz QCMQAEJIVCGLCL-LQPUYASZSA-N 0 0 188.270 3.506 20 30 AHEDRN C=C[C@@H](OC/C=C/C)c1ccccc1 ZINC001205051509 761893097 /nfs/dbraw/zinc/89/30/97/761893097.db2.gz QCMQAEJIVCGLCL-MASHWEEQSA-N 0 0 188.270 3.506 20 30 AHEDRN C=CC[C@H](CCCC)OC/C=C/C ZINC001205051607 761893154 /nfs/dbraw/zinc/89/31/54/761893154.db2.gz RRLGUIXQVRRGKE-FZKGZDJFSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CC[C@@H](CCCC)OC/C=C/C ZINC001205051608 761892006 /nfs/dbraw/zinc/89/20/06/761892006.db2.gz RRLGUIXQVRRGKE-ZCRIDZFUSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCC(CC=C)OCCC(C)C ZINC001205078712 761894406 /nfs/dbraw/zinc/89/44/06/761894406.db2.gz IAMKKZOKIMRASO-UHFFFAOYSA-N 0 0 182.307 3.570 20 30 AHEDRN C#C[C@H](CCCCC)OCCC(C)C ZINC001205079379 761894471 /nfs/dbraw/zinc/89/44/71/761894471.db2.gz UGFKBCMBLIDWTO-CYBMUJFWSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CCCCC)OCCC(C)C ZINC001205079380 761894719 /nfs/dbraw/zinc/89/47/19/761894719.db2.gz UGFKBCMBLIDWTO-ZDUSSCGKSA-N 0 0 196.334 3.631 20 30 AHEDRN C=CC[C@@H](OCCC(C)C)C(C)C ZINC001205084704 761894333 /nfs/dbraw/zinc/89/43/33/761894333.db2.gz AIFGYRDAEWFTAZ-GFCCVEGCSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CC[C@H](OCCC(C)C)C(C)C ZINC001205084705 761893860 /nfs/dbraw/zinc/89/38/60/761893860.db2.gz AIFGYRDAEWFTAZ-LBPRGKRZSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CC[C@H](CCC)OCCC(C)C ZINC001205084777 761894954 /nfs/dbraw/zinc/89/49/54/761894954.db2.gz CMEBODYRSLWJNM-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@@H](CCC)OCCC(C)C ZINC001205084778 761893871 /nfs/dbraw/zinc/89/38/71/761893871.db2.gz CMEBODYRSLWJNM-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@H](CCCC)OCCC(C)C ZINC001205085156 761895981 /nfs/dbraw/zinc/89/59/81/761895981.db2.gz JFSDACJYUFVLFT-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@@H](CCCC)OCCC(C)C ZINC001205085162 761895294 /nfs/dbraw/zinc/89/52/94/761895294.db2.gz JFSDACJYUFVLFT-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)C[C@@H](OCCC(C)C)C(=C)C ZINC001205085594 761895817 /nfs/dbraw/zinc/89/58/17/761895817.db2.gz OCTCLCQONVOGSP-CYBMUJFWSA-N 0 0 196.334 3.960 20 30 AHEDRN C=C(C)C[C@H](OCCC(C)C)C(=C)C ZINC001205085595 761896655 /nfs/dbraw/zinc/89/66/55/761896655.db2.gz OCTCLCQONVOGSP-ZDUSSCGKSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CCC[C@@H](CC)OCCC(C)C ZINC001205086026 761896171 /nfs/dbraw/zinc/89/61/71/761896171.db2.gz VIWIMQKNYYDHSZ-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC[C@H](CC)OCCC(C)C ZINC001205086027 761895407 /nfs/dbraw/zinc/89/54/07/761895407.db2.gz VIWIMQKNYYDHSZ-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C#C[C@@H](OCCC)[C@H](CC)CCCC ZINC001205090587 761895972 /nfs/dbraw/zinc/89/59/72/761895972.db2.gz GIARYSZQJHHLMW-CHWSQXEVSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](OCCC)[C@H](CC)CCCC ZINC001205090588 761896291 /nfs/dbraw/zinc/89/62/91/761896291.db2.gz GIARYSZQJHHLMW-OLZOCXBDSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](OCCC)[C@@H](CC)CCCC ZINC001205090589 761895284 /nfs/dbraw/zinc/89/52/84/761895284.db2.gz GIARYSZQJHHLMW-QWHCGFSZSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](OCCC)[C@@H](CC)CCCC ZINC001205090590 761895396 /nfs/dbraw/zinc/89/53/96/761895396.db2.gz GIARYSZQJHHLMW-STQMWFEESA-N 0 0 196.334 3.631 20 30 AHEDRN C=C(C)[C@@H]1CC=C(C)[C@H](OCCC)C1 ZINC001205091434 761896707 /nfs/dbraw/zinc/89/67/07/761896707.db2.gz VHCVNYHGMVFJPY-CHWSQXEVSA-N 0 0 194.318 3.714 20 30 AHEDRN C=C(C)[C@@H]1CC=C(C)[C@@H](OCCC)C1 ZINC001205091435 761895714 /nfs/dbraw/zinc/89/57/14/761895714.db2.gz VHCVNYHGMVFJPY-OLZOCXBDSA-N 0 0 194.318 3.714 20 30 AHEDRN C=C(C)[C@H]1CC=C(C)[C@H](OCCC)C1 ZINC001205091436 761895261 /nfs/dbraw/zinc/89/52/61/761895261.db2.gz VHCVNYHGMVFJPY-QWHCGFSZSA-N 0 0 194.318 3.714 20 30 AHEDRN C=C(C)[C@H]1CC=C(C)[C@@H](OCCC)C1 ZINC001205091437 761896261 /nfs/dbraw/zinc/89/62/61/761896261.db2.gz VHCVNYHGMVFJPY-STQMWFEESA-N 0 0 194.318 3.714 20 30 AHEDRN C=C[C@H](CCCCC)OCCC ZINC001205091633 761897617 /nfs/dbraw/zinc/89/76/17/761897617.db2.gz ZNHRRMSZPHRCPS-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C[C@@H](CCCCC)OCCC ZINC001205091634 761897666 /nfs/dbraw/zinc/89/76/66/761897666.db2.gz ZNHRRMSZPHRCPS-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCC ZINC001205098209 761898113 /nfs/dbraw/zinc/89/81/13/761898113.db2.gz ANPXNSYMOYDJPT-AGIUHOORSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCC ZINC001205098210 761898200 /nfs/dbraw/zinc/89/82/00/761898200.db2.gz ANPXNSYMOYDJPT-AVGNSLFASA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCC ZINC001205098211 761897061 /nfs/dbraw/zinc/89/70/61/761897061.db2.gz ANPXNSYMOYDJPT-FRRDWIJNSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCC ZINC001205098212 761897548 /nfs/dbraw/zinc/89/75/48/761897548.db2.gz ANPXNSYMOYDJPT-RWMBFGLXSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C[C@H](CCCCCC)OCCC ZINC001205099164 761898041 /nfs/dbraw/zinc/89/80/41/761898041.db2.gz NSHRPVQIBWGMJH-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@@H](CCCCCC)OCCC ZINC001205099165 761897119 /nfs/dbraw/zinc/89/71/19/761897119.db2.gz NSHRPVQIBWGMJH-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CC[C@H](CCCC)OCCC ZINC001205099334 761897532 /nfs/dbraw/zinc/89/75/32/761897532.db2.gz QPTXLMYOUYTSDP-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CC[C@@H](CCCC)OCCC ZINC001205099335 761898572 /nfs/dbraw/zinc/89/85/72/761898572.db2.gz QPTXLMYOUYTSDP-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CC[C@@H](OCCC)c1ccccc1 ZINC001205099404 761897072 /nfs/dbraw/zinc/89/70/72/761897072.db2.gz TYMNICBMKKOBND-CYBMUJFWSA-N 0 0 190.286 3.730 20 30 AHEDRN C=CC[C@H](OCCC)c1ccccc1 ZINC001205099405 761898195 /nfs/dbraw/zinc/89/81/95/761898195.db2.gz TYMNICBMKKOBND-ZDUSSCGKSA-N 0 0 190.286 3.730 20 30 AHEDRN C=C[C@H](CCCCC)OCCCC ZINC001205138524 761898983 /nfs/dbraw/zinc/89/89/83/761898983.db2.gz CEPLAKKTWJAJCO-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@@H](CCCCC)OCCCC ZINC001205138525 761899959 /nfs/dbraw/zinc/89/99/59/761899959.db2.gz CEPLAKKTWJAJCO-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CC[C@H](CCC)OCCCC ZINC001205139099 761898959 /nfs/dbraw/zinc/89/89/59/761898959.db2.gz JXDUKJHAADAPIQ-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CC[C@@H](CCC)OCCCC ZINC001205139101 761899803 /nfs/dbraw/zinc/89/98/03/761899803.db2.gz JXDUKJHAADAPIQ-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CC[C@H](CCCC)OCCCC ZINC001205148010 761903499 /nfs/dbraw/zinc/90/34/99/761903499.db2.gz BRMJJODOYIKSJZ-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CC[C@@H](CCCC)OCCCC ZINC001205148011 761906856 /nfs/dbraw/zinc/90/68/56/761906856.db2.gz BRMJJODOYIKSJZ-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)C[C@@H](OCCCC)C(=C)C ZINC001205148623 761903733 /nfs/dbraw/zinc/90/37/33/761903733.db2.gz MCEYYDBRNIIMDA-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)C[C@H](OCCCC)C(=C)C ZINC001205148624 761903393 /nfs/dbraw/zinc/90/33/93/761903393.db2.gz MCEYYDBRNIIMDA-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@H](CCCCCC)OC1CC1 ZINC001205468471 761930420 /nfs/dbraw/zinc/93/04/20/761930420.db2.gz LCRDVHMOLSRMKV-LLVKDONJSA-N 0 0 182.307 3.690 20 30 AHEDRN C=C[C@@H](CCCCCC)OC1CC1 ZINC001205468473 761936378 /nfs/dbraw/zinc/93/63/78/761936378.db2.gz LCRDVHMOLSRMKV-NSHDSACASA-N 0 0 182.307 3.690 20 30 AHEDRN C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OC1CC1 ZINC001205468558 761934811 /nfs/dbraw/zinc/93/48/11/761934811.db2.gz MQSSRODKVBRHJG-DRZSPHRISA-N 0 0 194.318 3.546 20 30 AHEDRN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC1CC1 ZINC001205468559 761931738 /nfs/dbraw/zinc/93/17/38/761931738.db2.gz MQSSRODKVBRHJG-KGYLQXTDSA-N 0 0 194.318 3.546 20 30 AHEDRN C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OC1CC1 ZINC001205468560 761934508 /nfs/dbraw/zinc/93/45/08/761934508.db2.gz MQSSRODKVBRHJG-WCFLWFBJSA-N 0 0 194.318 3.546 20 30 AHEDRN C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC1CC1 ZINC001205468561 761931706 /nfs/dbraw/zinc/93/17/06/761931706.db2.gz MQSSRODKVBRHJG-WXHSDQCUSA-N 0 0 194.318 3.546 20 30 AHEDRN CCCCCCC[C@@H](C)OC1CC1 ZINC001205468978 761936680 /nfs/dbraw/zinc/93/66/80/761936680.db2.gz UOMJQCKTAAHOJR-LLVKDONJSA-N 0 0 184.323 3.914 20 30 AHEDRN CCCCCCC[C@H](C)OC1CC1 ZINC001205468979 761931280 /nfs/dbraw/zinc/93/12/80/761931280.db2.gz UOMJQCKTAAHOJR-NSHDSACASA-N 0 0 184.323 3.914 20 30 AHEDRN C=C[C@H](CCCCC)OCC1CC1 ZINC001205534829 761943593 /nfs/dbraw/zinc/94/35/93/761943593.db2.gz ZOURUADWSLDKAP-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C[C@@H](CCCCC)OCC1CC1 ZINC001205534830 761942924 /nfs/dbraw/zinc/94/29/24/761942924.db2.gz ZOURUADWSLDKAP-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C[C@H](CCCCCC)OCC1CC1 ZINC001205541108 761952894 /nfs/dbraw/zinc/95/28/94/761952894.db2.gz LUMAYVYQOLMOLA-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@@H](CCCCCC)OCC1CC1 ZINC001205541109 761956535 /nfs/dbraw/zinc/95/65/35/761956535.db2.gz LUMAYVYQOLMOLA-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC[C@H](CCCC)OCC1CC1 ZINC001205547355 761960350 /nfs/dbraw/zinc/96/03/50/761960350.db2.gz XLYHPXQRSBSSCL-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CC[C@@H](CCCC)OCC1CC1 ZINC001205547362 761966533 /nfs/dbraw/zinc/96/65/33/761966533.db2.gz XLYHPXQRSBSSCL-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C#C[C@H](CCCCC)OC1CCCC1 ZINC001205561547 761965892 /nfs/dbraw/zinc/96/58/92/761965892.db2.gz WDSVYEJZMOBXLN-GFCCVEGCSA-N 0 0 194.318 3.528 20 30 AHEDRN C#C[C@@H](CCCCC)OC1CCCC1 ZINC001205561548 761960294 /nfs/dbraw/zinc/96/02/94/761960294.db2.gz WDSVYEJZMOBXLN-LBPRGKRZSA-N 0 0 194.318 3.528 20 30 AHEDRN C=CC[C@H](CCC)OC1CCCC1 ZINC001205566467 761959737 /nfs/dbraw/zinc/95/97/37/761959737.db2.gz DODHEKIQPQKKLT-LLVKDONJSA-N 0 0 182.307 3.690 20 30 AHEDRN C=CC[C@@H](CCC)OC1CCCC1 ZINC001205566468 761966397 /nfs/dbraw/zinc/96/63/97/761966397.db2.gz DODHEKIQPQKKLT-NSHDSACASA-N 0 0 182.307 3.690 20 30 AHEDRN C=C[C@H](CCCC)OC1CCCC1 ZINC001205566921 761965108 /nfs/dbraw/zinc/96/51/08/761965108.db2.gz JRIIHSGSIBIPOE-LLVKDONJSA-N 0 0 182.307 3.690 20 30 AHEDRN C=C[C@@H](CCCC)OC1CCCC1 ZINC001205566922 761963291 /nfs/dbraw/zinc/96/32/91/761963291.db2.gz JRIIHSGSIBIPOE-NSHDSACASA-N 0 0 182.307 3.690 20 30 AHEDRN C=C(C)C[C@@H](OC1CCCC1)C(=C)C ZINC001205567252 761963510 /nfs/dbraw/zinc/96/35/10/761963510.db2.gz LFWKUWZRDQTCKK-CYBMUJFWSA-N 0 0 194.318 3.857 20 30 AHEDRN C=C(C)C[C@H](OC1CCCC1)C(=C)C ZINC001205567253 761960500 /nfs/dbraw/zinc/96/05/00/761960500.db2.gz LFWKUWZRDQTCKK-ZDUSSCGKSA-N 0 0 194.318 3.857 20 30 AHEDRN C=CCC[C@@H](CC)OC1CCCC1 ZINC001205567272 761959815 /nfs/dbraw/zinc/95/98/15/761959815.db2.gz LVYBHSZQFHGNJU-LLVKDONJSA-N 0 0 182.307 3.690 20 30 AHEDRN C=CCC[C@H](CC)OC1CCCC1 ZINC001205567273 761963580 /nfs/dbraw/zinc/96/35/80/761963580.db2.gz LVYBHSZQFHGNJU-NSHDSACASA-N 0 0 182.307 3.690 20 30 AHEDRN C=CC[C@@H](OC1CCCC1)C(C)C ZINC001205567313 761965013 /nfs/dbraw/zinc/96/50/13/761965013.db2.gz NOIOVFAFXYGLJN-GFCCVEGCSA-N 0 0 182.307 3.546 20 30 AHEDRN C=CC[C@H](OC1CCCC1)C(C)C ZINC001205567314 761966793 /nfs/dbraw/zinc/96/67/93/761966793.db2.gz NOIOVFAFXYGLJN-LBPRGKRZSA-N 0 0 182.307 3.546 20 30 AHEDRN C=C[C@H](CC)OCC1CCCCC1 ZINC001205572226 761973855 /nfs/dbraw/zinc/97/38/55/761973855.db2.gz DZFWOKZLYFYYOW-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C[C@@H](CC)OCC1CCCCC1 ZINC001205572227 761970614 /nfs/dbraw/zinc/97/06/14/761970614.db2.gz DZFWOKZLYFYYOW-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C[C@H](CCC)OCC1CCCCC1 ZINC001205573367 761971562 /nfs/dbraw/zinc/97/15/62/761971562.db2.gz QVUHZWNWFUYZLI-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@@H](CCC)OCC1CCCCC1 ZINC001205573369 761975255 /nfs/dbraw/zinc/97/52/55/761975255.db2.gz QVUHZWNWFUYZLI-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC[C@@H](C)OCC1CCCCC1 ZINC001205573455 761969220 /nfs/dbraw/zinc/96/92/20/761969220.db2.gz SYHUBKYBQFTUJM-LLVKDONJSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CC[C@@H](C=C)OCC1CCCCC1 ZINC001205579046 761967822 /nfs/dbraw/zinc/96/78/22/761967822.db2.gz GYLOEIXJGXNENV-CYBMUJFWSA-N 0 0 194.318 3.714 20 30 AHEDRN C=CC[C@H](C=C)OCC1CCCCC1 ZINC001205579047 761973160 /nfs/dbraw/zinc/97/31/60/761973160.db2.gz GYLOEIXJGXNENV-ZDUSSCGKSA-N 0 0 194.318 3.714 20 30 AHEDRN CCCC[C@@H](CCC)OCCCC#N ZINC001205647669 761977056 /nfs/dbraw/zinc/97/70/56/761977056.db2.gz FFRJQIUBWWWCIK-GFCCVEGCSA-N 0 0 197.322 3.666 20 30 AHEDRN CCCC[C@H](CCC)OCCCC#N ZINC001205647670 761976986 /nfs/dbraw/zinc/97/69/86/761976986.db2.gz FFRJQIUBWWWCIK-LBPRGKRZSA-N 0 0 197.322 3.666 20 30 AHEDRN CC[C@@H](C)CC[C@H](C)OCCCC#N ZINC001205648246 761977266 /nfs/dbraw/zinc/97/72/66/761977266.db2.gz JNOKQXHLLDLFIF-NEPJUHHUSA-N 0 0 197.322 3.522 20 30 AHEDRN CC[C@H](C)CC[C@@H](C)OCCCC#N ZINC001205648247 761977862 /nfs/dbraw/zinc/97/78/62/761977862.db2.gz JNOKQXHLLDLFIF-NWDGAFQWSA-N 0 0 197.322 3.522 20 30 AHEDRN CC[C@H](C)CC[C@H](C)OCCCC#N ZINC001205648248 761977367 /nfs/dbraw/zinc/97/73/67/761977367.db2.gz JNOKQXHLLDLFIF-RYUDHWBXSA-N 0 0 197.322 3.522 20 30 AHEDRN CC[C@@H](C)CC[C@@H](C)OCCCC#N ZINC001205648249 761978422 /nfs/dbraw/zinc/97/84/22/761978422.db2.gz JNOKQXHLLDLFIF-VXGBXAGGSA-N 0 0 197.322 3.522 20 30 AHEDRN C=CCC(CC=C)OCCCC(C)C ZINC001205969530 762028253 /nfs/dbraw/zinc/02/82/53/762028253.db2.gz ABJPJWZPMQTOCY-UHFFFAOYSA-N 0 0 196.334 3.960 20 30 AHEDRN C=C[C@H](CCC)OCCCC(C)C ZINC001205969674 762029313 /nfs/dbraw/zinc/02/93/13/762029313.db2.gz DGEWZZDSUAUGNA-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@@H](CCC)OCCCC(C)C ZINC001205969676 762028473 /nfs/dbraw/zinc/02/84/73/762028473.db2.gz DGEWZZDSUAUGNA-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN CC#CC[C@@H](CC)OCCCC(C)C ZINC001205970559 762030682 /nfs/dbraw/zinc/03/06/82/762030682.db2.gz MANAJUCILIUFHO-CYBMUJFWSA-N 0 0 196.334 3.631 20 30 AHEDRN CC#CC[C@H](CC)OCCCC(C)C ZINC001205970560 762028189 /nfs/dbraw/zinc/02/81/89/762028189.db2.gz MANAJUCILIUFHO-ZDUSSCGKSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](CCCC)OCCCC(C)C ZINC001205972141 762028900 /nfs/dbraw/zinc/02/89/00/762028900.db2.gz ZTIFGRRZTMTYSQ-CYBMUJFWSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CCCC)OCCCC(C)C ZINC001205972143 762028585 /nfs/dbraw/zinc/02/85/85/762028585.db2.gz ZTIFGRRZTMTYSQ-ZDUSSCGKSA-N 0 0 196.334 3.631 20 30 AHEDRN C=CC[C@@H](C=C)OCCCC(C)C ZINC001205977184 762031006 /nfs/dbraw/zinc/03/10/06/762031006.db2.gz VLIBENHTSDLSKE-GFCCVEGCSA-N 0 0 182.307 3.570 20 30 AHEDRN C=CC[C@H](C=C)OCCCC(C)C ZINC001205977185 762027717 /nfs/dbraw/zinc/02/77/17/762027717.db2.gz VLIBENHTSDLSKE-LBPRGKRZSA-N 0 0 182.307 3.570 20 30 AHEDRN C=C[C@H](CC)OCCC1CCCCC1 ZINC001206040589 762038431 /nfs/dbraw/zinc/03/84/31/762038431.db2.gz FHPLMSKTRIAKGZ-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@@H](CC)OCCC1CCCCC1 ZINC001206040590 762038791 /nfs/dbraw/zinc/03/87/91/762038791.db2.gz FHPLMSKTRIAKGZ-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC(C=C)OCCC1CCCCC1 ZINC001206040603 762039808 /nfs/dbraw/zinc/03/98/08/762039808.db2.gz FSQBKPCYSRLSJJ-UHFFFAOYSA-N 0 0 194.318 3.714 20 30 AHEDRN C=C[C@@H](C)OCCC1CCCCC1 ZINC001206040865 762039554 /nfs/dbraw/zinc/03/95/54/762039554.db2.gz IJJXQXKJSBWFCE-LLVKDONJSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C[C@H](C)OCCC1CCCCC1 ZINC001206040873 762036161 /nfs/dbraw/zinc/03/61/61/762036161.db2.gz IJJXQXKJSBWFCE-NSHDSACASA-N 0 0 182.307 3.548 20 30 AHEDRN C=CC[C@@H](C)OCCC1CCCCC1 ZINC001206042460 762044997 /nfs/dbraw/zinc/04/49/97/762044997.db2.gz ZNKAFDYEELVIFR-GFCCVEGCSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@H](CCCCC)OCC1CCC1 ZINC001206166977 762060278 /nfs/dbraw/zinc/06/02/78/762060278.db2.gz ZIESHGJVJMEXQL-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@@H](CCCCC)OCC1CCC1 ZINC001206166978 762057384 /nfs/dbraw/zinc/05/73/84/762057384.db2.gz ZIESHGJVJMEXQL-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC[C@H](CCC)OCC1CCC1 ZINC001206176449 762059059 /nfs/dbraw/zinc/05/90/59/762059059.db2.gz JSAMMRDACFVUPI-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CC[C@@H](CCC)OCC1CCC1 ZINC001206176450 762058847 /nfs/dbraw/zinc/05/88/47/762058847.db2.gz JSAMMRDACFVUPI-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CC[C@H](CCCC)OCC1CCC1 ZINC001206186632 762061523 /nfs/dbraw/zinc/06/15/23/762061523.db2.gz CEHWOFPKGXBVON-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC[C@@H](CCCC)OCC1CCC1 ZINC001206186634 762063436 /nfs/dbraw/zinc/06/34/36/762063436.db2.gz CEHWOFPKGXBVON-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@H](CCCC)OCC1CCC1 ZINC001206190380 762064670 /nfs/dbraw/zinc/06/46/70/762064670.db2.gz PSLRBSYOQHPTSA-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C[C@@H](CCCC)OCC1CCC1 ZINC001206190381 762062370 /nfs/dbraw/zinc/06/23/70/762062370.db2.gz PSLRBSYOQHPTSA-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCC[C@@H](CC)OCC1CCC1 ZINC001206190548 762062046 /nfs/dbraw/zinc/06/20/46/762062046.db2.gz UMFVOJBLAXMQSE-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCC[C@H](CC)OCC1CCC1 ZINC001206190549 762064955 /nfs/dbraw/zinc/06/49/55/762064955.db2.gz UMFVOJBLAXMQSE-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)C[C@@H](OCC1CCC1)C(=C)C ZINC001206190672 762064888 /nfs/dbraw/zinc/06/48/88/762064888.db2.gz XHXVHYPMQIWVTI-CYBMUJFWSA-N 0 0 194.318 3.714 20 30 AHEDRN C=C(C)C[C@H](OCC1CCC1)C(=C)C ZINC001206190673 762061984 /nfs/dbraw/zinc/06/19/84/762061984.db2.gz XHXVHYPMQIWVTI-ZDUSSCGKSA-N 0 0 194.318 3.714 20 30 AHEDRN C=C(C)CO[C@H](CC)c1ccccc1 ZINC001206736952 762099621 /nfs/dbraw/zinc/09/96/21/762099621.db2.gz STQBYUOTYQISPZ-CYBMUJFWSA-N 0 0 190.286 3.730 20 30 AHEDRN C=C(C)CO[C@@H](CC)C[C@H](C)CC ZINC001206741969 762099895 /nfs/dbraw/zinc/09/98/95/762099895.db2.gz CTGUHGHNDZUSKB-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](CC)C[C@@H](C)CC ZINC001206742147 762104034 /nfs/dbraw/zinc/10/40/34/762104034.db2.gz CTGUHGHNDZUSKB-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](CC)C[C@@H](C)CC ZINC001206742164 762100539 /nfs/dbraw/zinc/10/05/39/762100539.db2.gz CTGUHGHNDZUSKB-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](CC)C[C@H](C)CC ZINC001206742173 762099646 /nfs/dbraw/zinc/09/96/46/762099646.db2.gz CTGUHGHNDZUSKB-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](CCC)C(C)(C)C ZINC001206742262 762102734 /nfs/dbraw/zinc/10/27/34/762102734.db2.gz FBTGBXNSUBUITQ-LLVKDONJSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](CCC)C(C)(C)C ZINC001206742263 762099877 /nfs/dbraw/zinc/09/98/77/762099877.db2.gz FBTGBXNSUBUITQ-NSHDSACASA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](C)CCCCCC ZINC001206742821 762099328 /nfs/dbraw/zinc/09/93/28/762099328.db2.gz IHRRHYAOULOPBW-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CO[C@H](CC)C(CC)CC ZINC001206742937 762106285 /nfs/dbraw/zinc/10/62/85/762106285.db2.gz JCNRZYFJQGWLEH-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](CC)C(CC)CC ZINC001206742938 762099885 /nfs/dbraw/zinc/09/98/85/762099885.db2.gz JCNRZYFJQGWLEH-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](C)CCCC(C)C ZINC001206743218 762104078 /nfs/dbraw/zinc/10/40/78/762104078.db2.gz LKIZMUMJKVPPPZ-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](C)CCCC(C)C ZINC001206743219 762099316 /nfs/dbraw/zinc/09/93/16/762099316.db2.gz LKIZMUMJKVPPPZ-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](C)c1ccccc1C ZINC001206743230 762106720 /nfs/dbraw/zinc/10/67/20/762106720.db2.gz LPXPUJZYGLKXBH-GFCCVEGCSA-N 0 0 190.286 3.649 20 30 AHEDRN C=C(C)CO[C@@H](C)c1ccccc1C ZINC001206743231 762100523 /nfs/dbraw/zinc/10/05/23/762100523.db2.gz LPXPUJZYGLKXBH-LBPRGKRZSA-N 0 0 190.286 3.649 20 30 AHEDRN C=C(C)CO[C@H](C)CCC=C(C)C ZINC001206743562 762099672 /nfs/dbraw/zinc/09/96/72/762099672.db2.gz MNYDKZKWCUIACM-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)CO[C@@H](C)CCC=C(C)C ZINC001206743570 762102808 /nfs/dbraw/zinc/10/28/08/762102808.db2.gz MNYDKZKWCUIACM-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)COC1CCC(C(C)C)CC1 ZINC001206743693 762106752 /nfs/dbraw/zinc/10/67/52/762106752.db2.gz NBPBJFSRSXWEMG-UHFFFAOYSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)COC1CCC(C)(C)CC1 ZINC001206743827 762102754 /nfs/dbraw/zinc/10/27/54/762102754.db2.gz NYZXESXLCCXZTH-UHFFFAOYSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CO[C@H](CC)CCCC ZINC001206743925 762100627 /nfs/dbraw/zinc/10/06/27/762100627.db2.gz POLDXEMZRDRCNE-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C(C)CO[C@@H](CC)CCCC ZINC001206743928 762102047 /nfs/dbraw/zinc/10/20/47/762102047.db2.gz POLDXEMZRDRCNE-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=C(C)CO[C@@H](CCC)[C@H](C)CC ZINC001206743962 762104386 /nfs/dbraw/zinc/10/43/86/762104386.db2.gz PTVRYQLKDQATEU-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](CCC)[C@@H](C)CC ZINC001206743963 762098976 /nfs/dbraw/zinc/09/89/76/762098976.db2.gz PTVRYQLKDQATEU-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](CCC)[C@@H](C)CC ZINC001206743965 762103208 /nfs/dbraw/zinc/10/32/08/762103208.db2.gz PTVRYQLKDQATEU-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](CCC)[C@H](C)CC ZINC001206743966 762105167 /nfs/dbraw/zinc/10/51/67/762105167.db2.gz PTVRYQLKDQATEU-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001206744201 762106012 /nfs/dbraw/zinc/10/60/12/762106012.db2.gz QNTCTIXDFVMVKE-NEPJUHHUSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001206744210 762098989 /nfs/dbraw/zinc/09/89/89/762098989.db2.gz QNTCTIXDFVMVKE-NWDGAFQWSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001206744213 762100354 /nfs/dbraw/zinc/10/03/54/762100354.db2.gz QNTCTIXDFVMVKE-RYUDHWBXSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001206744217 762100000 /nfs/dbraw/zinc/10/00/00/762100000.db2.gz QNTCTIXDFVMVKE-VXGBXAGGSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)COC(CCC)CCC ZINC001206744383 762116191 /nfs/dbraw/zinc/11/61/91/762116191.db2.gz RPSLXZYNCODVRP-UHFFFAOYSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C[C@H](CCCCC)OCC(=C)C ZINC001206744427 762112234 /nfs/dbraw/zinc/11/22/34/762112234.db2.gz TYYKZQXNUVGNGB-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@@H](CCCCC)OCC(=C)C ZINC001206744428 762110015 /nfs/dbraw/zinc/11/00/15/762110015.db2.gz TYYKZQXNUVGNGB-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)COC1CCC(CCC)CC1 ZINC001206744458 762111300 /nfs/dbraw/zinc/11/13/00/762111300.db2.gz UEWVRJTWRKTASL-UHFFFAOYSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CO[C@H](CC(C)C)C(C)C ZINC001206744672 762113202 /nfs/dbraw/zinc/11/32/02/762113202.db2.gz VHDJWKZMODXJEE-GFCCVEGCSA-N 0 0 184.323 3.650 20 30 AHEDRN C=C(C)CO[C@@H](CC(C)C)C(C)C ZINC001206744673 762107873 /nfs/dbraw/zinc/10/78/73/762107873.db2.gz VHDJWKZMODXJEE-LBPRGKRZSA-N 0 0 184.323 3.650 20 30 AHEDRN C=C(C)CO[C@H](CC)CCCCC ZINC001206744726 762111576 /nfs/dbraw/zinc/11/15/76/762111576.db2.gz VXWLKXYODIGSGO-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CO[C@@H](CC)CCCCC ZINC001206744729 762113720 /nfs/dbraw/zinc/11/37/20/762113720.db2.gz VXWLKXYODIGSGO-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CO[C@H]1CCCC[C@H]1CC ZINC001206744757 762116159 /nfs/dbraw/zinc/11/61/59/762116159.db2.gz WHMAIHAVZFUMOQ-NEPJUHHUSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CO[C@@H]1CCCC[C@@H]1CC ZINC001206744760 762109120 /nfs/dbraw/zinc/10/91/20/762109120.db2.gz WHMAIHAVZFUMOQ-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CO[C@H]1CCCC[C@@H]1CC ZINC001206744765 762116010 /nfs/dbraw/zinc/11/60/10/762116010.db2.gz WHMAIHAVZFUMOQ-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CO[C@@H]1CCCC[C@H]1CC ZINC001206744766 762113578 /nfs/dbraw/zinc/11/35/78/762113578.db2.gz WHMAIHAVZFUMOQ-VXGBXAGGSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CO[C@H](C)c1ccc(C)cc1 ZINC001206745052 762112442 /nfs/dbraw/zinc/11/24/42/762112442.db2.gz ZQBDCQFPIOIKME-GFCCVEGCSA-N 0 0 190.286 3.649 20 30 AHEDRN C=C(C)CO[C@@H](C)c1ccc(C)cc1 ZINC001206745053 762108533 /nfs/dbraw/zinc/10/85/33/762108533.db2.gz ZQBDCQFPIOIKME-LBPRGKRZSA-N 0 0 190.286 3.649 20 30 AHEDRN C=C(C)CO[C@@H](C)/C=C/CCCC ZINC001206749972 762116102 /nfs/dbraw/zinc/11/61/02/762116102.db2.gz BQWZPTFVSLCNJT-BCPZQOPPSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)CO[C@H](C)/C=C/CCCC ZINC001206749973 762109718 /nfs/dbraw/zinc/10/97/18/762109718.db2.gz BQWZPTFVSLCNJT-IDVQTMNDSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CC[C@H](CCCC)OCC(=C)C ZINC001206750136 762112367 /nfs/dbraw/zinc/11/23/67/762112367.db2.gz DSVGYQYYXLUFRP-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CC[C@@H](CCCC)OCC(=C)C ZINC001206750137 762109177 /nfs/dbraw/zinc/10/91/77/762109177.db2.gz DSVGYQYYXLUFRP-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)COC1CCCCCCC1 ZINC001206750200 762113654 /nfs/dbraw/zinc/11/36/54/762113654.db2.gz GGVQFJQNASVSDM-UHFFFAOYSA-N 0 0 182.307 3.692 20 30 AHEDRN C=C(C)CO[C@@H]1CCCC(C)(C)C1 ZINC001206750490 762111963 /nfs/dbraw/zinc/11/19/63/762111963.db2.gz JKRKDUCNZCTRSH-LLVKDONJSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CO[C@H]1CCCC(C)(C)C1 ZINC001206750491 762114763 /nfs/dbraw/zinc/11/47/63/762114763.db2.gz JKRKDUCNZCTRSH-NSHDSACASA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CO[C@H](CCC)CCCC ZINC001206750643 762114233 /nfs/dbraw/zinc/11/42/33/762114233.db2.gz LNVNKLCWMCKUMS-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CO[C@@H](CCC)CCCC ZINC001206750644 762116600 /nfs/dbraw/zinc/11/66/00/762116600.db2.gz LNVNKLCWMCKUMS-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CO[C@H](CC)/C(C)=C/CC ZINC001206750645 762109842 /nfs/dbraw/zinc/10/98/42/762109842.db2.gz LPCOPHQDJNIKMZ-JATZPVMKSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)CO[C@@H](CC)/C(C)=C/CC ZINC001206750646 762107572 /nfs/dbraw/zinc/10/75/72/762107572.db2.gz LPCOPHQDJNIKMZ-OBIHZWKSSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)CO[C@H]1CC[C@H](C(C)C)CC1 ZINC001206750792 762114730 /nfs/dbraw/zinc/11/47/30/762114730.db2.gz NBPBJFSRSXWEMG-JOCQHMNTSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C(C)CO[C@@H](CC)[C@H](C)CCC ZINC001206750857 762107382 /nfs/dbraw/zinc/10/73/82/762107382.db2.gz ONFLAGLFDDHFJA-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](CC)[C@@H](C)CCC ZINC001206750858 762114892 /nfs/dbraw/zinc/11/48/92/762114892.db2.gz ONFLAGLFDDHFJA-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](CC)[C@@H](C)CCC ZINC001206750859 762111795 /nfs/dbraw/zinc/11/17/95/762111795.db2.gz ONFLAGLFDDHFJA-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](CC)[C@H](C)CCC ZINC001206750860 762114337 /nfs/dbraw/zinc/11/43/37/762114337.db2.gz ONFLAGLFDDHFJA-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](C)CC[C@H](C)CC ZINC001206751101 762110115 /nfs/dbraw/zinc/11/01/15/762110115.db2.gz UBMDIINFQXMALJ-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](C)CC[C@@H](C)CC ZINC001206751102 762107854 /nfs/dbraw/zinc/10/78/54/762107854.db2.gz UBMDIINFQXMALJ-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H](C)CC[C@@H](C)CC ZINC001206751103 762113067 /nfs/dbraw/zinc/11/30/67/762113067.db2.gz UBMDIINFQXMALJ-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@H](C)CC[C@H](C)CC ZINC001206751104 762112839 /nfs/dbraw/zinc/11/28/39/762112839.db2.gz UBMDIINFQXMALJ-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CO[C@@H]1CCCC[C@H]1CCC ZINC001206751135 762114946 /nfs/dbraw/zinc/11/49/46/762114946.db2.gz VKKYUPORVSNZCF-CHWSQXEVSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CO[C@H]1CCCC[C@H]1CCC ZINC001206751136 762112494 /nfs/dbraw/zinc/11/24/94/762112494.db2.gz VKKYUPORVSNZCF-OLZOCXBDSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CO[C@@H]1CCCC[C@@H]1CCC ZINC001206751137 762108573 /nfs/dbraw/zinc/10/85/73/762108573.db2.gz VKKYUPORVSNZCF-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CO[C@H]1CCCC[C@@H]1CCC ZINC001206751138 762115960 /nfs/dbraw/zinc/11/59/60/762115960.db2.gz VKKYUPORVSNZCF-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CO[C@H](CC)C1CCCCC1 ZINC001206751386 762107342 /nfs/dbraw/zinc/10/73/42/762107342.db2.gz ZSJVNHHUKRUKAT-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CO[C@@H](CC)C1CCCCC1 ZINC001206751387 762113592 /nfs/dbraw/zinc/11/35/92/762113592.db2.gz ZSJVNHHUKRUKAT-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CO[C@H]1CC[C@H](CC)CC1 ZINC001206751388 762111837 /nfs/dbraw/zinc/11/18/37/762111837.db2.gz ZUPGMOLVVJELJP-HAQNSBGRSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)COC1CCC(CC)CC1 ZINC001206751389 762114916 /nfs/dbraw/zinc/11/49/16/762114916.db2.gz ZUPGMOLVVJELJP-UHFFFAOYSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCCC[C@@H](C)OC ZINC001222701043 764084886 /nfs/dbraw/zinc/08/48/86/764084886.db2.gz IHHJXGZBYXJZHM-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCC(CC=C)OCC1CCCC1 ZINC001222704489 764091714 /nfs/dbraw/zinc/09/17/14/764091714.db2.gz ARABPKAQULZWHL-UHFFFAOYSA-N 0 0 194.318 3.714 20 30 AHEDRN C=CC[C@H](CCC)OCC1CCCC1 ZINC001222706911 764091347 /nfs/dbraw/zinc/09/13/47/764091347.db2.gz BFXIVCWENQGBOH-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC[C@@H](CCC)OCC1CCCC1 ZINC001222706914 764087894 /nfs/dbraw/zinc/08/78/94/764087894.db2.gz BFXIVCWENQGBOH-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@H](CCC)OCC1CCCC1 ZINC001222707748 764091823 /nfs/dbraw/zinc/09/18/23/764091823.db2.gz HWFNZKWCMJEPKI-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C[C@@H](CCC)OCC1CCCC1 ZINC001222707751 764091615 /nfs/dbraw/zinc/09/16/15/764091615.db2.gz HWFNZKWCMJEPKI-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCC[C@@H](CC)OCC1CCCC1 ZINC001222707836 764089587 /nfs/dbraw/zinc/08/95/87/764089587.db2.gz IXMAMCMDUPXLTH-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCC[C@H](CC)OCC1CCCC1 ZINC001222707840 764091393 /nfs/dbraw/zinc/09/13/93/764091393.db2.gz IXMAMCMDUPXLTH-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC[C@@H](OCC1CCCC1)C(C)C ZINC001222707869 764088580 /nfs/dbraw/zinc/08/85/80/764088580.db2.gz JMEISEIBZYTWPP-CYBMUJFWSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CC[C@H](OCC1CCCC1)C(C)C ZINC001222707871 764090282 /nfs/dbraw/zinc/09/02/82/764090282.db2.gz JMEISEIBZYTWPP-ZDUSSCGKSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C[C@H](CCCC)OCC1CCCC1 ZINC001222708703 764088629 /nfs/dbraw/zinc/08/86/29/764088629.db2.gz QACWPLMHVYKFSF-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@@H](CCCC)OCC1CCCC1 ZINC001222708707 764089073 /nfs/dbraw/zinc/08/90/73/764089073.db2.gz QACWPLMHVYKFSF-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCC[C@@H](CC)OCc1ccco1 ZINC001223050715 764144270 /nfs/dbraw/zinc/14/42/70/764144270.db2.gz OVHLNJPVZJOQFM-LLVKDONJSA-N 0 0 194.274 3.541 20 30 AHEDRN C=CCC[C@H](CC)OCc1ccco1 ZINC001223050719 764145486 /nfs/dbraw/zinc/14/54/86/764145486.db2.gz OVHLNJPVZJOQFM-NSHDSACASA-N 0 0 194.274 3.541 20 30 AHEDRN C=C[C@H](CCCC)OCc1ccco1 ZINC001223051139 764145941 /nfs/dbraw/zinc/14/59/41/764145941.db2.gz SASGTXFXMHSTAQ-LLVKDONJSA-N 0 0 194.274 3.541 20 30 AHEDRN C=C[C@@H](CCCC)OCc1ccco1 ZINC001223051140 764144657 /nfs/dbraw/zinc/14/46/57/764144657.db2.gz SASGTXFXMHSTAQ-NSHDSACASA-N 0 0 194.274 3.541 20 30 AHEDRN C=CC[C@H](CCC)OCc1ccco1 ZINC001223054714 764144633 /nfs/dbraw/zinc/14/46/33/764144633.db2.gz UHOAVIWOJCEZSQ-LLVKDONJSA-N 0 0 194.274 3.541 20 30 AHEDRN C=CC[C@@H](CCC)OCc1ccco1 ZINC001223054715 764144055 /nfs/dbraw/zinc/14/40/55/764144055.db2.gz UHOAVIWOJCEZSQ-NSHDSACASA-N 0 0 194.274 3.541 20 30 AHEDRN C=CC[C@@H](C)OCc1ccc(C)s1 ZINC001223187121 764153906 /nfs/dbraw/zinc/15/39/06/764153906.db2.gz VMJKGEIRTHDUSY-SECBINFHSA-N 0 0 196.315 3.538 20 30 AHEDRN C=C[C@@H](CC)OCc1ccc(C)s1 ZINC001223190771 764154086 /nfs/dbraw/zinc/15/40/86/764154086.db2.gz UZJFTRFLPOXALC-JTQLQIEISA-N 0 0 196.315 3.538 20 30 AHEDRN C=C[C@H](CC)OCc1ccc(C)s1 ZINC001223190772 764154244 /nfs/dbraw/zinc/15/42/44/764154244.db2.gz UZJFTRFLPOXALC-SNVBAGLBSA-N 0 0 196.315 3.538 20 30 AHEDRN C=C[C@H](C)O[C@@H](C=C)c1ccccc1 ZINC001223308633 764157810 /nfs/dbraw/zinc/15/78/10/764157810.db2.gz GBFVPMHWPJRQGY-AAEUAGOBSA-N 0 0 188.270 3.505 20 30 AHEDRN C=C[C@@H](C)O[C@H](C=C)c1ccccc1 ZINC001223308634 764158046 /nfs/dbraw/zinc/15/80/46/764158046.db2.gz GBFVPMHWPJRQGY-DGCLKSJQSA-N 0 0 188.270 3.505 20 30 AHEDRN C=C[C@@H](O[C@@H](C)C=C)c1ccccc1 ZINC001223308635 764156427 /nfs/dbraw/zinc/15/64/27/764156427.db2.gz GBFVPMHWPJRQGY-WCQYABFASA-N 0 0 188.270 3.505 20 30 AHEDRN C=C[C@@H](C)O[C@@H](C=C)c1ccccc1 ZINC001223308636 764157066 /nfs/dbraw/zinc/15/70/66/764157066.db2.gz GBFVPMHWPJRQGY-YPMHNXCESA-N 0 0 188.270 3.505 20 30 AHEDRN C=C[C@H](CCC)OCc1ccsc1 ZINC001223334851 764157888 /nfs/dbraw/zinc/15/78/88/764157888.db2.gz AEGPOOJPONTFFN-LLVKDONJSA-N 0 0 196.315 3.619 20 30 AHEDRN C=C[C@@H](CCC)OCc1ccsc1 ZINC001223334859 764157156 /nfs/dbraw/zinc/15/71/56/764157156.db2.gz AEGPOOJPONTFFN-NSHDSACASA-N 0 0 196.315 3.619 20 30 AHEDRN C=CC[C@@H](C)O[C@@H](C)c1ccccc1 ZINC001223445704 764163505 /nfs/dbraw/zinc/16/35/05/764163505.db2.gz NANPJGVLHCYUDT-NEPJUHHUSA-N 0 0 190.286 3.729 20 30 AHEDRN C=CC[C@@H](C)O[C@H](C)c1ccccc1 ZINC001223445711 764164705 /nfs/dbraw/zinc/16/47/05/764164705.db2.gz NANPJGVLHCYUDT-VXGBXAGGSA-N 0 0 190.286 3.729 20 30 AHEDRN C=CC(C=C)O[C@H](C)c1ccccc1 ZINC001223448299 764162694 /nfs/dbraw/zinc/16/26/94/764162694.db2.gz KQPWJWMTWOQASQ-LLVKDONJSA-N 0 0 188.270 3.505 20 30 AHEDRN C=CC(C=C)O[C@@H](C)c1ccccc1 ZINC001223448306 764164896 /nfs/dbraw/zinc/16/48/96/764164896.db2.gz KQPWJWMTWOQASQ-NSHDSACASA-N 0 0 188.270 3.505 20 30 AHEDRN C=C[C@@H](CC)O[C@@H](C)c1ccccc1 ZINC001223448393 764163429 /nfs/dbraw/zinc/16/34/29/764163429.db2.gz LAWVDHYVQDPDJL-AAEUAGOBSA-N 0 0 190.286 3.729 20 30 AHEDRN C=C[C@H](CC)O[C@H](C)c1ccccc1 ZINC001223448394 764162709 /nfs/dbraw/zinc/16/27/09/764162709.db2.gz LAWVDHYVQDPDJL-DGCLKSJQSA-N 0 0 190.286 3.729 20 30 AHEDRN C=C[C@H](CC)O[C@@H](C)c1ccccc1 ZINC001223448395 764164886 /nfs/dbraw/zinc/16/48/86/764164886.db2.gz LAWVDHYVQDPDJL-WCQYABFASA-N 0 0 190.286 3.729 20 30 AHEDRN C=C[C@@H](CC)O[C@H](C)c1ccccc1 ZINC001223448396 764165442 /nfs/dbraw/zinc/16/54/42/764165442.db2.gz LAWVDHYVQDPDJL-YPMHNXCESA-N 0 0 190.286 3.729 20 30 AHEDRN C=CC[C@@H](C)OC(=C)c1ccccc1 ZINC001223636594 764170795 /nfs/dbraw/zinc/17/07/95/764170795.db2.gz AZVSWNZPTVCZKL-LLVKDONJSA-N 0 0 188.270 3.639 20 30 AHEDRN C=C[C@H](CC)OC(=C)c1ccccc1 ZINC001223639242 764170661 /nfs/dbraw/zinc/17/06/61/764170661.db2.gz QLHUTGLZHGXHCR-CYBMUJFWSA-N 0 0 188.270 3.639 20 30 AHEDRN C=C[C@@H](CC)OC(=C)c1ccccc1 ZINC001223639243 764171863 /nfs/dbraw/zinc/17/18/63/764171863.db2.gz QLHUTGLZHGXHCR-ZDUSSCGKSA-N 0 0 188.270 3.639 20 30 AHEDRN C=C[C@H](C)O[C@@H](CC)c1ccccc1 ZINC001223706389 764169958 /nfs/dbraw/zinc/16/99/58/764169958.db2.gz BRNQWAWVKLAUQS-AAEUAGOBSA-N 0 0 190.286 3.729 20 30 AHEDRN C=C[C@@H](C)O[C@H](CC)c1ccccc1 ZINC001223706392 764172441 /nfs/dbraw/zinc/17/24/41/764172441.db2.gz BRNQWAWVKLAUQS-DGCLKSJQSA-N 0 0 190.286 3.729 20 30 AHEDRN C=C[C@H](C)O[C@H](CC)c1ccccc1 ZINC001223706394 764170686 /nfs/dbraw/zinc/17/06/86/764170686.db2.gz BRNQWAWVKLAUQS-WCQYABFASA-N 0 0 190.286 3.729 20 30 AHEDRN C=C[C@@H](C)O[C@@H](CC)c1ccccc1 ZINC001223706396 764171234 /nfs/dbraw/zinc/17/12/34/764171234.db2.gz BRNQWAWVKLAUQS-YPMHNXCESA-N 0 0 190.286 3.729 20 30 AHEDRN C=CCC[C@@H](CC)OCc1ccoc1 ZINC001223783772 764170404 /nfs/dbraw/zinc/17/04/04/764170404.db2.gz CUCDWIAWMMSDEP-GFCCVEGCSA-N 0 0 194.274 3.541 20 30 AHEDRN C=CCC[C@H](CC)OCc1ccoc1 ZINC001223783773 764172553 /nfs/dbraw/zinc/17/25/53/764172553.db2.gz CUCDWIAWMMSDEP-LBPRGKRZSA-N 0 0 194.274 3.541 20 30 AHEDRN C=CC[C@H](CCC)OCc1ccoc1 ZINC001223784888 764172255 /nfs/dbraw/zinc/17/22/55/764172255.db2.gz IDBKCQYIEMGRRD-GFCCVEGCSA-N 0 0 194.274 3.541 20 30 AHEDRN C=CC[C@@H](CCC)OCc1ccoc1 ZINC001223784891 764172448 /nfs/dbraw/zinc/17/24/48/764172448.db2.gz IDBKCQYIEMGRRD-LBPRGKRZSA-N 0 0 194.274 3.541 20 30 AHEDRN C=C[C@H](CCCC)OCc1ccoc1 ZINC001223786528 764175508 /nfs/dbraw/zinc/17/55/08/764175508.db2.gz VAPVEDLHCBJMLE-GFCCVEGCSA-N 0 0 194.274 3.541 20 30 AHEDRN C=C[C@@H](CCCC)OCc1ccoc1 ZINC001223786531 764175637 /nfs/dbraw/zinc/17/56/37/764175637.db2.gz VAPVEDLHCBJMLE-LBPRGKRZSA-N 0 0 194.274 3.541 20 30 AHEDRN C=C[C@@H](CCC)OCc1cccs1 ZINC001223865024 764174321 /nfs/dbraw/zinc/17/43/21/764174321.db2.gz LASPHEXMQZHBNA-JTQLQIEISA-N 0 0 196.315 3.619 20 30 AHEDRN C=C[C@H](CCC)OCc1cccs1 ZINC001223865025 764175833 /nfs/dbraw/zinc/17/58/33/764175833.db2.gz LASPHEXMQZHBNA-SNVBAGLBSA-N 0 0 196.315 3.619 20 30 AHEDRN C=C[C@@H](C)OC(C)(C)c1ccccc1 ZINC001223952276 764178653 /nfs/dbraw/zinc/17/86/53/764178653.db2.gz KAZXEEPQMOLUIP-LLVKDONJSA-N 0 0 190.286 3.513 20 30 AHEDRN C=C[C@H](C)OC(C)(C)c1ccccc1 ZINC001223952277 764176961 /nfs/dbraw/zinc/17/69/61/764176961.db2.gz KAZXEEPQMOLUIP-NSHDSACASA-N 0 0 190.286 3.513 20 30 AHEDRN C=C(C)CCCO[C@H](C)CCCC ZINC001224278792 764181080 /nfs/dbraw/zinc/18/10/80/764181080.db2.gz DGVIHSNODSKKRF-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H](C)CCCC ZINC001224278793 764181514 /nfs/dbraw/zinc/18/15/14/764181514.db2.gz DGVIHSNODSKKRF-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CCCOC(CC)CC ZINC001224278867 764184613 /nfs/dbraw/zinc/18/46/13/764184613.db2.gz FYAHOOLCVYAFRF-UHFFFAOYSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C(C)CCCO[C@H]1CC[C@@H](C)C1 ZINC001224278872 764185923 /nfs/dbraw/zinc/18/59/23/764185923.db2.gz FZDVPPKCEYKTCQ-NEPJUHHUSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CCCO[C@@H]1CC[C@H](C)C1 ZINC001224278873 764184386 /nfs/dbraw/zinc/18/43/86/764184386.db2.gz FZDVPPKCEYKTCQ-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CCCO[C@H]1CC[C@H](C)C1 ZINC001224278874 764184793 /nfs/dbraw/zinc/18/47/93/764184793.db2.gz FZDVPPKCEYKTCQ-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CCCO[C@@H]1CC[C@@H](C)C1 ZINC001224278875 764185651 /nfs/dbraw/zinc/18/56/51/764185651.db2.gz FZDVPPKCEYKTCQ-VXGBXAGGSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CCCOC(C1CC1)C1CC1 ZINC001224278919 764184009 /nfs/dbraw/zinc/18/40/09/764184009.db2.gz HMLZYTOCMUHXGK-UHFFFAOYSA-N 0 0 194.318 3.548 20 30 AHEDRN C=C(C)CCCO[C@@H]1CCC[C@@H](C)C1 ZINC001224278928 764184461 /nfs/dbraw/zinc/18/44/61/764184461.db2.gz HSULCEAGEABEOU-CHWSQXEVSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@H]1CCC[C@@H](C)C1 ZINC001224278929 764185734 /nfs/dbraw/zinc/18/57/34/764185734.db2.gz HSULCEAGEABEOU-OLZOCXBDSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H]1CCC[C@H](C)C1 ZINC001224278930 764185820 /nfs/dbraw/zinc/18/58/20/764185820.db2.gz HSULCEAGEABEOU-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@H]1CCC[C@H](C)C1 ZINC001224278931 764184327 /nfs/dbraw/zinc/18/43/27/764184327.db2.gz HSULCEAGEABEOU-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@H]1CC[C@H](C)CC1 ZINC001224278967 764184533 /nfs/dbraw/zinc/18/45/33/764184533.db2.gz JDPABGMXQFKZQX-JOCQHMNTSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCOC1CCC(C)CC1 ZINC001224278968 764185221 /nfs/dbraw/zinc/18/52/21/764185221.db2.gz JDPABGMXQFKZQX-UHFFFAOYSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H]1CCCC[C@H]1C ZINC001224278989 764184549 /nfs/dbraw/zinc/18/45/49/764184549.db2.gz JXNOBQPRTMWVGV-CHWSQXEVSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@H]1CCCC[C@H]1C ZINC001224278990 764184379 /nfs/dbraw/zinc/18/43/79/764184379.db2.gz JXNOBQPRTMWVGV-OLZOCXBDSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H]1CCCC[C@@H]1C ZINC001224278991 764185932 /nfs/dbraw/zinc/18/59/32/764185932.db2.gz JXNOBQPRTMWVGV-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@H]1CCCC[C@@H]1C ZINC001224278992 764185576 /nfs/dbraw/zinc/18/55/76/764185576.db2.gz JXNOBQPRTMWVGV-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H](C)[C@H](C)CC ZINC001224279008 764185535 /nfs/dbraw/zinc/18/55/35/764185535.db2.gz KSXAJDKIDZSDOI-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CCCO[C@H](C)[C@@H](C)CC ZINC001224279009 764183510 /nfs/dbraw/zinc/18/35/10/764183510.db2.gz KSXAJDKIDZSDOI-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CCCO[C@@H](C)[C@@H](C)CC ZINC001224279010 764183829 /nfs/dbraw/zinc/18/38/29/764183829.db2.gz KSXAJDKIDZSDOI-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CCCO[C@H](C)[C@H](C)CC ZINC001224279011 764185439 /nfs/dbraw/zinc/18/54/39/764185439.db2.gz KSXAJDKIDZSDOI-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC(CC=C)OCCCC(=C)C ZINC001224279023 764185488 /nfs/dbraw/zinc/18/54/88/764185488.db2.gz KYWYDGXUHJTZOR-UHFFFAOYSA-N 0 0 194.318 3.880 20 30 AHEDRN C=C(C)CCCO[C@H](C)CC(C)C ZINC001224279104 764183528 /nfs/dbraw/zinc/18/35/28/764183528.db2.gz OBKLSDDJLQEPRN-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CCCO[C@@H](C)CC(C)C ZINC001224279105 764185539 /nfs/dbraw/zinc/18/55/39/764185539.db2.gz OBKLSDDJLQEPRN-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CCCO[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001224279190 764184305 /nfs/dbraw/zinc/18/43/05/764184305.db2.gz QZZUROBENKCQHG-YNEHKIRRSA-N 0 0 194.318 3.548 20 30 AHEDRN C=C(C)CCCO[C@H](CC)CCC ZINC001224279340 764185618 /nfs/dbraw/zinc/18/56/18/764185618.db2.gz VNSGVTCZPJEDCF-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H](CC)CCC ZINC001224279341 764184807 /nfs/dbraw/zinc/18/48/07/764184807.db2.gz VNSGVTCZPJEDCF-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H]1CCC[C@@H]1C ZINC001224279360 764184671 /nfs/dbraw/zinc/18/46/71/764184671.db2.gz WBQOUTVCNFECGB-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CCCO[C@H]1CCC[C@@H]1C ZINC001224279361 764185732 /nfs/dbraw/zinc/18/57/32/764185732.db2.gz WBQOUTVCNFECGB-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CCCO[C@H](C)C1CCC1 ZINC001224279508 764184757 /nfs/dbraw/zinc/18/47/57/764184757.db2.gz YJRHSBOLBKRKOS-LLVKDONJSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CCCO[C@@H](C)C1CCC1 ZINC001224279509 764185605 /nfs/dbraw/zinc/18/56/05/764185605.db2.gz YJRHSBOLBKRKOS-NSHDSACASA-N 0 0 182.307 3.548 20 30 AHEDRN C=C(C)CCCOC1CCCCC1 ZINC001224279513 764185291 /nfs/dbraw/zinc/18/52/91/764185291.db2.gz YMIUGPGRAGQHBO-UHFFFAOYSA-N 0 0 182.307 3.692 20 30 AHEDRN C=C(C)CCCO[C@H](C)CCC ZINC001224279557 764184238 /nfs/dbraw/zinc/18/42/38/764184238.db2.gz ZPTWNOKBFQPOLA-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C(C)CCCO[C@@H](C)CCC ZINC001224279558 764185744 /nfs/dbraw/zinc/18/57/44/764185744.db2.gz ZPTWNOKBFQPOLA-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CC[C@@H](OCCCC(=C)C)C(C)C ZINC001224280526 764183537 /nfs/dbraw/zinc/18/35/37/764183537.db2.gz AFOAXEGBPQLLJD-CYBMUJFWSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CC[C@H](OCCCC(=C)C)C(C)C ZINC001224280528 764184962 /nfs/dbraw/zinc/18/49/62/764184962.db2.gz AFOAXEGBPQLLJD-ZDUSSCGKSA-N 0 0 196.334 3.960 20 30 AHEDRN C=C[C@H](CCC)OCCCC(=C)C ZINC001224280830 764184715 /nfs/dbraw/zinc/18/47/15/764184715.db2.gz DHZCMFPSILPBQW-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@@H](CCC)OCCCC(=C)C ZINC001224280831 764185609 /nfs/dbraw/zinc/18/56/09/764185609.db2.gz DHZCMFPSILPBQW-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C(C)CCCO[C@H](CC)CC#CC ZINC001224280877 764185158 /nfs/dbraw/zinc/18/51/58/764185158.db2.gz FTTPNHBWJDOIGU-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C=C(C)CCCO[C@@H](CC)CC#CC ZINC001224280878 764184355 /nfs/dbraw/zinc/18/43/55/764184355.db2.gz FTTPNHBWJDOIGU-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=C(C)CCCO[C@H](C)C1CCCC1 ZINC001224281172 764183741 /nfs/dbraw/zinc/18/37/41/764183741.db2.gz IUPJTBTWHCXHDB-GFCCVEGCSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H](C)C1CCCC1 ZINC001224281173 764185599 /nfs/dbraw/zinc/18/55/99/764185599.db2.gz IUPJTBTWHCXHDB-LBPRGKRZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@H]1CC[C@@H](C)CC1 ZINC001224281183 764185240 /nfs/dbraw/zinc/18/52/40/764185240.db2.gz JDPABGMXQFKZQX-BETUJISGSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)CCCO[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001224282184 764185130 /nfs/dbraw/zinc/18/51/30/764185130.db2.gz QZZUROBENKCQHG-FRRDWIJNSA-N 0 0 194.318 3.548 20 30 AHEDRN C=C(C)CCCO[C@H](C)c1ccco1 ZINC001224282196 764184157 /nfs/dbraw/zinc/18/41/57/764184157.db2.gz REIMOIMJDRAQFK-LLVKDONJSA-N 0 0 194.274 3.714 20 30 AHEDRN C=C(C)CCCO[C@H](CC)C(C)C ZINC001224282726 764184360 /nfs/dbraw/zinc/18/43/60/764184360.db2.gz UUSPVEWPLQDYIX-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C(C)CCCO[C@@H](CC)C(C)C ZINC001224282727 764185864 /nfs/dbraw/zinc/18/58/64/764185864.db2.gz UUSPVEWPLQDYIX-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C#C[C@H](CCCC)OCCCC(=C)C ZINC001224283035 764185846 /nfs/dbraw/zinc/18/58/46/764185846.db2.gz XJAVPSADUZJDHG-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#C[C@@H](CCCC)OCCCC(=C)C ZINC001224283037 764183476 /nfs/dbraw/zinc/18/34/76/764183476.db2.gz XJAVPSADUZJDHG-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CC[C@@H](C)OCC1CCC(C)CC1 ZINC001224311833 764184322 /nfs/dbraw/zinc/18/43/22/764184322.db2.gz JFEKSMZSPWYMDS-OTTFEQOBSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CC(C=C)OCC1CCC(C)CC1 ZINC001224313220 764184973 /nfs/dbraw/zinc/18/49/73/764184973.db2.gz BLDFFIZGYZJTCH-UHFFFAOYSA-N 0 0 194.318 3.570 20 30 AHEDRN C=C[C@@H](CC)OCC1CCC(C)CC1 ZINC001224314535 764183725 /nfs/dbraw/zinc/18/37/25/764183725.db2.gz NAQMJSALZRWDKB-BPCQOVAHSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C[C@H](CC)OCC1CCC(C)CC1 ZINC001224314536 764184400 /nfs/dbraw/zinc/18/44/00/764184400.db2.gz NAQMJSALZRWDKB-WXRRBKDZSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC001224333404 764187434 /nfs/dbraw/zinc/18/74/34/764187434.db2.gz AASDCZBQFCKMBQ-CHWSQXEVSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC001224333405 764188474 /nfs/dbraw/zinc/18/84/74/764188474.db2.gz AASDCZBQFCKMBQ-OLZOCXBDSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC001224333406 764188939 /nfs/dbraw/zinc/18/89/39/764188939.db2.gz AASDCZBQFCKMBQ-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@H]1CCC[C@H](C)C1 ZINC001224333407 764188252 /nfs/dbraw/zinc/18/82/52/764188252.db2.gz AASDCZBQFCKMBQ-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@H](C)C1CCCC1 ZINC001224334647 764188653 /nfs/dbraw/zinc/18/86/53/764188653.db2.gz BJTXLIBTBSXOGP-GFCCVEGCSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@@H](C)C1CCCC1 ZINC001224334649 764189344 /nfs/dbraw/zinc/18/93/44/764189344.db2.gz BJTXLIBTBSXOGP-LBPRGKRZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@H]1CC[C@@H](C)CC1 ZINC001224334673 764187300 /nfs/dbraw/zinc/18/73/00/764187300.db2.gz BVOXLGNTCQDKHU-BETUJISGSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@H]1CC[C@H](C)CC1 ZINC001224334676 764189143 /nfs/dbraw/zinc/18/91/43/764189143.db2.gz BVOXLGNTCQDKHU-JOCQHMNTSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@H]1CCCC[C@H]1C ZINC001224334751 764188372 /nfs/dbraw/zinc/18/83/72/764188372.db2.gz CRRQSMZJGYCRBK-OLZOCXBDSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@H]1CCCC[C@@H]1C ZINC001224334776 764189393 /nfs/dbraw/zinc/18/93/93/764189393.db2.gz CRRQSMZJGYCRBK-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@@H](C)[C@H](C)CC ZINC001224334867 764189259 /nfs/dbraw/zinc/18/92/59/764189259.db2.gz GWOPOHOFOAVMGU-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCO[C@H](C)[C@@H](C)CC ZINC001224334868 764187246 /nfs/dbraw/zinc/18/72/46/764187246.db2.gz GWOPOHOFOAVMGU-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCO[C@@H](C)[C@@H](C)CC ZINC001224334869 764188721 /nfs/dbraw/zinc/18/87/21/764188721.db2.gz GWOPOHOFOAVMGU-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCO[C@H](C)[C@H](C)CC ZINC001224334870 764188822 /nfs/dbraw/zinc/18/88/22/764188822.db2.gz GWOPOHOFOAVMGU-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCO[C@@H](C)CCC ZINC001224334942 764188441 /nfs/dbraw/zinc/18/84/41/764188441.db2.gz IRJGCOYRPOKKMV-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C#C[C@H](CCCC)OCCCCC=C ZINC001224335127 764187703 /nfs/dbraw/zinc/18/77/03/764187703.db2.gz LPZOGKYCPYYKBJ-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#C[C@@H](CCCC)OCCCCC=C ZINC001224335128 764188673 /nfs/dbraw/zinc/18/86/73/764188673.db2.gz LPZOGKYCPYYKBJ-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCOC(C1CC1)C1CC1 ZINC001224335188 764187358 /nfs/dbraw/zinc/18/73/58/764187358.db2.gz MZLBZDXZVDUHGA-UHFFFAOYSA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCCCCO[C@H](CC)C(C)C ZINC001224335210 764189160 /nfs/dbraw/zinc/18/91/60/764189160.db2.gz NUOCANHXSWYFSI-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCO[C@@H](CC)C(C)C ZINC001224335211 764187927 /nfs/dbraw/zinc/18/79/27/764187927.db2.gz NUOCANHXSWYFSI-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCO[C@H](CC=C)C(C)C ZINC001224335272 764187551 /nfs/dbraw/zinc/18/75/51/764187551.db2.gz PUZVLEDFENZULT-CYBMUJFWSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CCCCCO[C@@H](CC=C)C(C)C ZINC001224335273 764189520 /nfs/dbraw/zinc/18/95/20/764189520.db2.gz PUZVLEDFENZULT-ZDUSSCGKSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CCCCCO[C@H](C=C)CCC ZINC001224335296 764187566 /nfs/dbraw/zinc/18/75/66/764187566.db2.gz QFQVXBMJJPEUPR-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCCO[C@@H](C=C)CCC ZINC001224335297 764189479 /nfs/dbraw/zinc/18/94/79/764189479.db2.gz QFQVXBMJJPEUPR-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCCO[C@H](C)CC(C)C ZINC001224335536 764187632 /nfs/dbraw/zinc/18/76/32/764187632.db2.gz SXRABUZAQZYJHW-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCO[C@H](CC)CC#CC ZINC001224335617 764187209 /nfs/dbraw/zinc/18/72/09/764187209.db2.gz UTBHEMFLHVLLMX-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCO[C@@H](CC)CC#CC ZINC001224335620 764189172 /nfs/dbraw/zinc/18/91/72/764189172.db2.gz UTBHEMFLHVLLMX-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCO[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001224335743 764188996 /nfs/dbraw/zinc/18/89/96/764188996.db2.gz WIMOLYIRRXPDES-FRRDWIJNSA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCCCCO[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001224335745 764187556 /nfs/dbraw/zinc/18/75/56/764187556.db2.gz WIMOLYIRRXPDES-YNEHKIRRSA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCCCCO[C@H](C)c1ccco1 ZINC001224335826 764188800 /nfs/dbraw/zinc/18/88/00/764188800.db2.gz XKZOBYTYTXZSEM-LLVKDONJSA-N 0 0 194.274 3.714 20 30 AHEDRN C=CCCCCO[C@H]1CC[C@@H](C)C1 ZINC001224336000 764189186 /nfs/dbraw/zinc/18/91/86/764189186.db2.gz ZDZPZEUUNMKYGD-NEPJUHHUSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCO[C@@H]1CC[C@H](C)C1 ZINC001224336001 764188128 /nfs/dbraw/zinc/18/81/28/764188128.db2.gz ZDZPZEUUNMKYGD-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCO[C@H]1CC[C@H](C)C1 ZINC001224336003 764188691 /nfs/dbraw/zinc/18/86/91/764188691.db2.gz ZDZPZEUUNMKYGD-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCO[C@@H]1CC[C@@H](C)C1 ZINC001224336004 764188705 /nfs/dbraw/zinc/18/87/05/764188705.db2.gz ZDZPZEUUNMKYGD-VXGBXAGGSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCO[C@@H](C)CCCC ZINC001224336063 764189471 /nfs/dbraw/zinc/18/94/71/764189471.db2.gz ZOXPAKWPURLHHA-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCCO[C@@H]1CCC[C@@H]1C ZINC001224336123 764187013 /nfs/dbraw/zinc/18/70/13/764187013.db2.gz BFEGFSTXCFKPJZ-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCO[C@H]1CCC[C@@H]1C ZINC001224336125 764188469 /nfs/dbraw/zinc/18/84/69/764188469.db2.gz BFEGFSTXCFKPJZ-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCOC1CCC(C)CC1 ZINC001224336178 764187385 /nfs/dbraw/zinc/18/73/85/764187385.db2.gz BVOXLGNTCQDKHU-UHFFFAOYSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@@H]1CCCC[C@H]1C ZINC001224336249 764187356 /nfs/dbraw/zinc/18/73/56/764187356.db2.gz CRRQSMZJGYCRBK-CHWSQXEVSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@@H]1CCCC[C@@H]1C ZINC001224336252 764189002 /nfs/dbraw/zinc/18/90/02/764189002.db2.gz CRRQSMZJGYCRBK-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCO[C@H](CC)CCC ZINC001224336486 764188921 /nfs/dbraw/zinc/18/89/21/764188921.db2.gz DUEALRQDTLCJSE-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCCO[C@@H](CC)CCC ZINC001224336487 764193086 /nfs/dbraw/zinc/19/30/86/764193086.db2.gz DUEALRQDTLCJSE-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCCO[C@H](C)CCC ZINC001224336903 764190753 /nfs/dbraw/zinc/19/07/53/764190753.db2.gz IRJGCOYRPOKKMV-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCCCO[C@@H](C)CC(C)C ZINC001224338170 764192650 /nfs/dbraw/zinc/19/26/50/764192650.db2.gz SXRABUZAQZYJHW-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCOC1CCCCC1 ZINC001224338540 764192627 /nfs/dbraw/zinc/19/26/27/764192627.db2.gz UGCHIFMUQIRBKS-UHFFFAOYSA-N 0 0 182.307 3.692 20 30 AHEDRN C=CCCCCOC(CC=C)CC=C ZINC001224338603 764191925 /nfs/dbraw/zinc/19/19/25/764191925.db2.gz UZMDQLRRKYKEPK-UHFFFAOYSA-N 0 0 194.318 3.880 20 30 AHEDRN C=CCCCCO[C@H](C)C1CCC1 ZINC001224338940 764191187 /nfs/dbraw/zinc/19/11/87/764191187.db2.gz ZKNHTRRFQAFLHV-LLVKDONJSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCO[C@@H](C)C1CCC1 ZINC001224338941 764192311 /nfs/dbraw/zinc/19/23/11/764192311.db2.gz ZKNHTRRFQAFLHV-NSHDSACASA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCO[C@H](C)CCCC ZINC001224338960 764192358 /nfs/dbraw/zinc/19/23/58/764192358.db2.gz ZOXPAKWPURLHHA-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCOC1CCCCCCC1 ZINC001224339027 764190848 /nfs/dbraw/zinc/19/08/48/764190848.db2.gz BPFFYYPVTGWDEI-UHFFFAOYSA-N 0 0 182.307 3.692 20 30 AHEDRN C=CCCO[C@H](C)c1ccc(C)cc1 ZINC001224339060 764193025 /nfs/dbraw/zinc/19/30/25/764193025.db2.gz CNMNFQBYBPCLAC-GFCCVEGCSA-N 0 0 190.286 3.649 20 30 AHEDRN C=CCCO[C@@H](C)c1ccc(C)cc1 ZINC001224339061 764191949 /nfs/dbraw/zinc/19/19/49/764191949.db2.gz CNMNFQBYBPCLAC-LBPRGKRZSA-N 0 0 190.286 3.649 20 30 AHEDRN C=CCCO[C@H]1CC[C@H](CC)CC1 ZINC001224339111 764191931 /nfs/dbraw/zinc/19/19/31/764191931.db2.gz DKKVLRBOOVBGEH-HAQNSBGRSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCOC1CCC(CC)CC1 ZINC001224339112 764191065 /nfs/dbraw/zinc/19/10/65/764191065.db2.gz DKKVLRBOOVBGEH-UHFFFAOYSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCO[C@H](CC)/C(C)=C/CC ZINC001224339123 764191824 /nfs/dbraw/zinc/19/18/24/764191824.db2.gz DNUYVZXNXDTPDQ-LMMOQWNQSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@@H](CC)/C(C)=C/CC ZINC001224339124 764191741 /nfs/dbraw/zinc/19/17/41/764191741.db2.gz DNUYVZXNXDTPDQ-ZKQHCESOSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@H](CC=C)CCCC ZINC001224339127 764190730 /nfs/dbraw/zinc/19/07/30/764190730.db2.gz DOFDOXJZQQJQCX-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@@H](CC=C)CCCC ZINC001224339128 764192948 /nfs/dbraw/zinc/19/29/48/764192948.db2.gz DOFDOXJZQQJQCX-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@@H](C)c1cccc(C)c1 ZINC001224339225 764192617 /nfs/dbraw/zinc/19/26/17/764192617.db2.gz HCHARUNESSBRBB-LBPRGKRZSA-N 0 0 190.286 3.649 20 30 AHEDRN C=CCCO[C@@H](C)CC[C@H](C)CC ZINC001224339251 764193176 /nfs/dbraw/zinc/19/31/76/764193176.db2.gz HUMPSARFSVGPKF-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](C)CC[C@@H](C)CC ZINC001224339252 764192606 /nfs/dbraw/zinc/19/26/06/764192606.db2.gz HUMPSARFSVGPKF-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H](C)CC[C@@H](C)CC ZINC001224339253 764190746 /nfs/dbraw/zinc/19/07/46/764190746.db2.gz HUMPSARFSVGPKF-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](C)CC[C@H](C)CC ZINC001224339254 764190819 /nfs/dbraw/zinc/19/08/19/764190819.db2.gz HUMPSARFSVGPKF-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](C)/C=C/CCCC ZINC001224339302 764190564 /nfs/dbraw/zinc/19/05/64/764190564.db2.gz JFGBEPPBLZIPGZ-BZYZDCJZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@@H](C)/C=C/CCCC ZINC001224339303 764192711 /nfs/dbraw/zinc/19/27/11/764192711.db2.gz JFGBEPPBLZIPGZ-VMPCVLLUSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@H](C)CCC=C(C)C ZINC001224339390 764192676 /nfs/dbraw/zinc/19/26/76/764192676.db2.gz LOYGYVJBMWKTAP-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@@H](C)CCCCC ZINC001224339407 764192010 /nfs/dbraw/zinc/19/20/10/764192010.db2.gz LZZMFVRFDBKBPL-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCO[C@H](CC)C1CCCCC1 ZINC001224339524 764192486 /nfs/dbraw/zinc/19/24/86/764192486.db2.gz PBJHPFKUEPLMOX-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCO[C@@H](CC)C1CCCCC1 ZINC001224339525 764190683 /nfs/dbraw/zinc/19/06/83/764190683.db2.gz PBJHPFKUEPLMOX-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCO[C@@H]1CCCC[C@H]1CCC ZINC001224339569 764191799 /nfs/dbraw/zinc/19/17/99/764191799.db2.gz PYSHAZJVPYBUIO-CHWSQXEVSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCO[C@H]1CCCC[C@H]1CCC ZINC001224339570 764191636 /nfs/dbraw/zinc/19/16/36/764191636.db2.gz PYSHAZJVPYBUIO-OLZOCXBDSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCO[C@@H]1CCCC[C@@H]1CCC ZINC001224339571 764193337 /nfs/dbraw/zinc/19/33/37/764193337.db2.gz PYSHAZJVPYBUIO-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCO[C@H]1CCCC[C@@H]1CCC ZINC001224339572 764192753 /nfs/dbraw/zinc/19/27/53/764192753.db2.gz PYSHAZJVPYBUIO-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCO[C@H](C=C)c1ccccc1 ZINC001224339601 764192174 /nfs/dbraw/zinc/19/21/74/764192174.db2.gz QUBLRPZZOYPRCT-CYBMUJFWSA-N 0 0 188.270 3.506 20 30 AHEDRN C=CCCO[C@@H](C=C)c1ccccc1 ZINC001224339602 764192879 /nfs/dbraw/zinc/19/28/79/764192879.db2.gz QUBLRPZZOYPRCT-ZDUSSCGKSA-N 0 0 188.270 3.506 20 30 AHEDRN C=CCCO[C@@H](CC)[C@H](C)CCC ZINC001224339638 764191238 /nfs/dbraw/zinc/19/12/38/764191238.db2.gz RSAIPSAFPKDZLB-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](CC)[C@@H](C)CCC ZINC001224339639 764192297 /nfs/dbraw/zinc/19/22/97/764192297.db2.gz RSAIPSAFPKDZLB-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H](CC)[C@@H](C)CCC ZINC001224339640 764193242 /nfs/dbraw/zinc/19/32/42/764193242.db2.gz RSAIPSAFPKDZLB-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](CC)[C@H](C)CCC ZINC001224339641 764191473 /nfs/dbraw/zinc/19/14/73/764191473.db2.gz RSAIPSAFPKDZLB-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H]1CCCC(C)(C)C1 ZINC001224339815 764191557 /nfs/dbraw/zinc/19/15/57/764191557.db2.gz WKTGQZOIHDRPMK-LLVKDONJSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCO[C@H]1CCCC(C)(C)C1 ZINC001224339816 764190547 /nfs/dbraw/zinc/19/05/47/764190547.db2.gz WKTGQZOIHDRPMK-NSHDSACASA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCO[C@H]1CC[C@H](C(C)C)CC1 ZINC001224339831 764192372 /nfs/dbraw/zinc/19/23/72/764192372.db2.gz WWGMZZYBJXPOMD-JOCQHMNTSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCO[C@H](CCC)CCCC ZINC001224339890 764192442 /nfs/dbraw/zinc/19/24/42/764192442.db2.gz YHQVYICCNYVBGP-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCO[C@@H](CCC)CCCC ZINC001224339891 764191031 /nfs/dbraw/zinc/19/10/31/764191031.db2.gz YHQVYICCNYVBGP-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001224339963 764192906 /nfs/dbraw/zinc/19/29/06/764192906.db2.gz ZXGPWDFDROGEBG-NEPJUHHUSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001224339964 764193289 /nfs/dbraw/zinc/19/32/89/764193289.db2.gz ZXGPWDFDROGEBG-RYUDHWBXSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCO[C@@H](CC)C[C@H](C)CC ZINC001224340482 764191758 /nfs/dbraw/zinc/19/17/58/764191758.db2.gz CIXGVCWWPGFENC-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](CC)C[C@@H](C)CC ZINC001224340484 764192958 /nfs/dbraw/zinc/19/29/58/764192958.db2.gz CIXGVCWWPGFENC-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H](CC)C[C@@H](C)CC ZINC001224340486 764190891 /nfs/dbraw/zinc/19/08/91/764190891.db2.gz CIXGVCWWPGFENC-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](CC)C[C@H](C)CC ZINC001224340489 764193224 /nfs/dbraw/zinc/19/32/24/764193224.db2.gz CIXGVCWWPGFENC-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](CC(C)C)C(C)C ZINC001224340810 764195522 /nfs/dbraw/zinc/19/55/22/764195522.db2.gz FEMXXXZBJSFEIR-GFCCVEGCSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CCCO[C@@H](CC(C)C)C(C)C ZINC001224340813 764195914 /nfs/dbraw/zinc/19/59/14/764195914.db2.gz FEMXXXZBJSFEIR-LBPRGKRZSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CCCOC(CCC)CCC ZINC001224340906 764195097 /nfs/dbraw/zinc/19/50/97/764195097.db2.gz GTUGERPDZGKTJY-UHFFFAOYSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCO[C@H](CC)c1ccccc1 ZINC001224340948 764195953 /nfs/dbraw/zinc/19/59/53/764195953.db2.gz HQKJBSJDTIWCHU-CYBMUJFWSA-N 0 0 190.286 3.730 20 30 AHEDRN C=CCCO[C@H](CC)CCCCC ZINC001224340979 764195648 /nfs/dbraw/zinc/19/56/48/764195648.db2.gz HWCGWXOCEMNCLT-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCO[C@@H](CC)CCCCC ZINC001224340980 764196227 /nfs/dbraw/zinc/19/62/27/764196227.db2.gz HWCGWXOCEMNCLT-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCO[C@H](C=C)CCCCC ZINC001224340983 764195820 /nfs/dbraw/zinc/19/58/20/764195820.db2.gz HZXYVLXXIXIZAK-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@@H](C=C)CCCCC ZINC001224340985 764194586 /nfs/dbraw/zinc/19/45/86/764194586.db2.gz HZXYVLXXIXIZAK-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@H]1CCCC[C@H]1CC ZINC001224341352 764195496 /nfs/dbraw/zinc/19/54/96/764195496.db2.gz JGHLRXTVKWWIDO-NEPJUHHUSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCO[C@@H]1CCCC[C@@H]1CC ZINC001224341353 764194603 /nfs/dbraw/zinc/19/46/03/764194603.db2.gz JGHLRXTVKWWIDO-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCO[C@H]1CCCC[C@@H]1CC ZINC001224341354 764194053 /nfs/dbraw/zinc/19/40/53/764194053.db2.gz JGHLRXTVKWWIDO-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCO[C@@H]1CCCC[C@H]1CC ZINC001224341355 764195792 /nfs/dbraw/zinc/19/57/92/764195792.db2.gz JGHLRXTVKWWIDO-VXGBXAGGSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCO[C@H](CC)CCCC ZINC001224341414 764195382 /nfs/dbraw/zinc/19/53/82/764195382.db2.gz KDMPAGQDMKZSII-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCO[C@@H](CC)CCCC ZINC001224341422 764194151 /nfs/dbraw/zinc/19/41/51/764194151.db2.gz KDMPAGQDMKZSII-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCO[C@H](CC)C(CC)CC ZINC001224341469 764195341 /nfs/dbraw/zinc/19/53/41/764195341.db2.gz KGZVDNQJNKGPGZ-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H](CC)C(CC)CC ZINC001224341473 764194434 /nfs/dbraw/zinc/19/44/34/764194434.db2.gz KGZVDNQJNKGPGZ-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H](C)CCC=C(C)C ZINC001224341538 764194971 /nfs/dbraw/zinc/19/49/71/764194971.db2.gz LOYGYVJBMWKTAP-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCO[C@H](C)CCCCC ZINC001224341742 764194372 /nfs/dbraw/zinc/19/43/72/764194372.db2.gz LZZMFVRFDBKBPL-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCO[C@H](C)CCCC(C)C ZINC001224342671 764195437 /nfs/dbraw/zinc/19/54/37/764195437.db2.gz UJSDZHFSTNKWQJ-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H](C)CCCC(C)C ZINC001224342675 764196281 /nfs/dbraw/zinc/19/62/81/764196281.db2.gz UJSDZHFSTNKWQJ-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H](CCC)[C@H](C)CC ZINC001224342946 764195547 /nfs/dbraw/zinc/19/55/47/764195547.db2.gz WNVMEDZFUVCGNB-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](CCC)[C@@H](C)CC ZINC001224342947 764194363 /nfs/dbraw/zinc/19/43/63/764194363.db2.gz WNVMEDZFUVCGNB-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@@H](CCC)[C@@H](C)CC ZINC001224342952 764195884 /nfs/dbraw/zinc/19/58/84/764195884.db2.gz WNVMEDZFUVCGNB-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCO[C@H](CCC)[C@H](C)CC ZINC001224342955 764195412 /nfs/dbraw/zinc/19/54/12/764195412.db2.gz WNVMEDZFUVCGNB-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCOC1CCC(C(C)C)CC1 ZINC001224343010 764195901 /nfs/dbraw/zinc/19/59/01/764195901.db2.gz WWGMZZYBJXPOMD-UHFFFAOYSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCOC1CCC(C)(C)CC1 ZINC001224343072 764194887 /nfs/dbraw/zinc/19/48/87/764194887.db2.gz XGWIDHXEMZPQLT-UHFFFAOYSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCOC1CCC(CCC)CC1 ZINC001224343153 764195302 /nfs/dbraw/zinc/19/53/02/764195302.db2.gz YDSZOMUKYNRLOL-UHFFFAOYSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCO[C@H](C)c1ccccc1C ZINC001224343176 764194325 /nfs/dbraw/zinc/19/43/25/764194325.db2.gz YHWKOLGPSFZRRZ-GFCCVEGCSA-N 0 0 190.286 3.649 20 30 AHEDRN C=CCCO[C@@H](C)c1ccccc1C ZINC001224343182 764194758 /nfs/dbraw/zinc/19/47/58/764194758.db2.gz YHWKOLGPSFZRRZ-LBPRGKRZSA-N 0 0 190.286 3.649 20 30 AHEDRN C=CCCO[C@@H](C)CCCCCC ZINC001224343280 764196267 /nfs/dbraw/zinc/19/62/67/764196267.db2.gz YLZZDEMEDKJHJV-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001224343389 764195402 /nfs/dbraw/zinc/19/54/02/764195402.db2.gz ZXGPWDFDROGEBG-NWDGAFQWSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001224343390 764195557 /nfs/dbraw/zinc/19/55/57/764195557.db2.gz ZXGPWDFDROGEBG-VXGBXAGGSA-N 0 0 196.334 3.794 20 30 AHEDRN CC#CCO[C@H](C)CCCCCCC ZINC001224354804 764195486 /nfs/dbraw/zinc/19/54/86/764195486.db2.gz AAARMIJLRRJLEC-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN CC#CCO[C@@H](C)CCCCCCC ZINC001224354806 764195392 /nfs/dbraw/zinc/19/53/92/764195392.db2.gz AAARMIJLRRJLEC-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN CCCC[C@H](OCC#N)[C@H](C)CCC ZINC001224379709 764200799 /nfs/dbraw/zinc/20/07/99/764200799.db2.gz AFZUIPRFBDKIQQ-NEPJUHHUSA-N 0 0 197.322 3.522 20 30 AHEDRN CCCC[C@@H](OCC#N)[C@@H](C)CCC ZINC001224379714 764200370 /nfs/dbraw/zinc/20/03/70/764200370.db2.gz AFZUIPRFBDKIQQ-NWDGAFQWSA-N 0 0 197.322 3.522 20 30 AHEDRN CCCC[C@H](OCC#N)[C@@H](C)CCC ZINC001224379718 764199244 /nfs/dbraw/zinc/19/92/44/764199244.db2.gz AFZUIPRFBDKIQQ-RYUDHWBXSA-N 0 0 197.322 3.522 20 30 AHEDRN CCCC[C@@H](OCC#N)[C@H](C)CCC ZINC001224379720 764199399 /nfs/dbraw/zinc/19/93/99/764199399.db2.gz AFZUIPRFBDKIQQ-VXGBXAGGSA-N 0 0 197.322 3.522 20 30 AHEDRN CCCC[C@H](CC)C[C@@H](C)OCC#N ZINC001224379776 764199001 /nfs/dbraw/zinc/19/90/01/764199001.db2.gz APKPGWGOPWLHEX-NEPJUHHUSA-N 0 0 197.322 3.522 20 30 AHEDRN CCCC[C@@H](CC)C[C@H](C)OCC#N ZINC001224379783 764200540 /nfs/dbraw/zinc/20/05/40/764200540.db2.gz APKPGWGOPWLHEX-NWDGAFQWSA-N 0 0 197.322 3.522 20 30 AHEDRN CCCC[C@H](CC)C[C@H](C)OCC#N ZINC001224379787 764200377 /nfs/dbraw/zinc/20/03/77/764200377.db2.gz APKPGWGOPWLHEX-RYUDHWBXSA-N 0 0 197.322 3.522 20 30 AHEDRN CCCC[C@@H](CC)C[C@@H](C)OCC#N ZINC001224379791 764199865 /nfs/dbraw/zinc/19/98/65/764199865.db2.gz APKPGWGOPWLHEX-VXGBXAGGSA-N 0 0 197.322 3.522 20 30 AHEDRN CCCCCCC[C@@H](CC)OCC#N ZINC001224381156 764202545 /nfs/dbraw/zinc/20/25/45/764202545.db2.gz KHRPJMYOMFCTID-GFCCVEGCSA-N 0 0 197.322 3.666 20 30 AHEDRN CCCCCCC[C@H](CC)OCC#N ZINC001224381157 764201957 /nfs/dbraw/zinc/20/19/57/764201957.db2.gz KHRPJMYOMFCTID-LBPRGKRZSA-N 0 0 197.322 3.666 20 30 AHEDRN CCCCC[C@@H](CCCC)OCC#N ZINC001224381183 764202800 /nfs/dbraw/zinc/20/28/00/764202800.db2.gz KPZGHDQWSQWKAY-GFCCVEGCSA-N 0 0 197.322 3.666 20 30 AHEDRN CCCCC[C@H](CCCC)OCC#N ZINC001224381187 764202686 /nfs/dbraw/zinc/20/26/86/764202686.db2.gz KPZGHDQWSQWKAY-LBPRGKRZSA-N 0 0 197.322 3.666 20 30 AHEDRN C#C[C@@H](C)OCCCCCCCCC ZINC001224386589 764205598 /nfs/dbraw/zinc/20/55/98/764205598.db2.gz LRUHTRCPGDGQNC-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#C[C@H](C)OCCCCCCCCC ZINC001224386592 764204257 /nfs/dbraw/zinc/20/42/57/764204257.db2.gz LRUHTRCPGDGQNC-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN CCCCCCCCCOC1CC1 ZINC001224392693 764205684 /nfs/dbraw/zinc/20/56/84/764205684.db2.gz MUWNPKZPKNCNIQ-UHFFFAOYSA-N 0 0 184.323 3.916 20 30 AHEDRN C=CCCCCCO[C@@H]1CCC[C@@H]1C ZINC001224424515 764204526 /nfs/dbraw/zinc/20/45/26/764204526.db2.gz FFSKDNHBBKYSDV-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCCO[C@H]1CCC[C@@H]1C ZINC001224424518 764204415 /nfs/dbraw/zinc/20/44/15/764204415.db2.gz FFSKDNHBBKYSDV-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCCO[C@H](C)CC=C ZINC001224425422 764204652 /nfs/dbraw/zinc/20/46/52/764204652.db2.gz LZQCPKBYBCLNHZ-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCCCO[C@H](C)C1CC1 ZINC001224427173 764204383 /nfs/dbraw/zinc/20/43/83/764204383.db2.gz ZNYWECBXUZLNTD-LLVKDONJSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCCO[C@@H](C)C1CC1 ZINC001224427174 764204521 /nfs/dbraw/zinc/20/45/21/764204521.db2.gz ZNYWECBXUZLNTD-NSHDSACASA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCCCO[C@H](C)C(C)C ZINC001224427226 764204425 /nfs/dbraw/zinc/20/44/25/764204425.db2.gz AFTMNABJIDJBJG-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCCO[C@@H](C)C(C)C ZINC001224427382 764204843 /nfs/dbraw/zinc/20/48/43/764204843.db2.gz AFTMNABJIDJBJG-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCCCOC(CC)CC ZINC001224427437 764204142 /nfs/dbraw/zinc/20/41/42/764204142.db2.gz BAEKPGRHUAXDNG-UHFFFAOYSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCCCO[C@H](C)C#CCC ZINC001224427491 764203339 /nfs/dbraw/zinc/20/33/39/764203339.db2.gz BOJUJHWQRGTEEY-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCCO[C@@H](C)C#CCC ZINC001224427493 764205797 /nfs/dbraw/zinc/20/57/97/764205797.db2.gz BOJUJHWQRGTEEY-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCCO[C@@H]1C=CCCC1 ZINC001224427642 764205119 /nfs/dbraw/zinc/20/51/19/764205119.db2.gz GFPPHBPWKTYFJO-CYBMUJFWSA-N 0 0 194.318 3.858 20 30 AHEDRN C=CCCCCCO[C@H]1C=CCCC1 ZINC001224427643 764203557 /nfs/dbraw/zinc/20/35/57/764203557.db2.gz GFPPHBPWKTYFJO-ZDUSSCGKSA-N 0 0 194.318 3.858 20 30 AHEDRN C=CCCCCCOC1CCCC1 ZINC001224427878 764204814 /nfs/dbraw/zinc/20/48/14/764204814.db2.gz KTPQRDZFFCWSBW-UHFFFAOYSA-N 0 0 182.307 3.692 20 30 AHEDRN C=CCCCCCO[C@H](C)CCC ZINC001224427901 764205727 /nfs/dbraw/zinc/20/57/27/764205727.db2.gz MEOKIELRNPDNAZ-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCCCO[C@@H](C)CCC ZINC001224427902 764204833 /nfs/dbraw/zinc/20/48/33/764204833.db2.gz MEOKIELRNPDNAZ-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCCCO[C@H](C)CC ZINC001224427936 764204055 /nfs/dbraw/zinc/20/40/55/764204055.db2.gz NDNAALPAYGZSFJ-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCCCCO[C@@H](C)CC ZINC001224427937 764204707 /nfs/dbraw/zinc/20/47/07/764204707.db2.gz NDNAALPAYGZSFJ-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCCCCO[C@H](C)C1CCC1 ZINC001224427966 764204998 /nfs/dbraw/zinc/20/49/98/764204998.db2.gz NWPMXRSNTQJTHS-GFCCVEGCSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCCO[C@@H](C)C1CCC1 ZINC001224427967 764203469 /nfs/dbraw/zinc/20/34/69/764203469.db2.gz NWPMXRSNTQJTHS-LBPRGKRZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCCO[C@@H]1CC[C@@H](C)C1 ZINC001224428238 764205152 /nfs/dbraw/zinc/20/51/52/764205152.db2.gz SIOJVCSTJQJMQX-CHWSQXEVSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCCO[C@H]1CC[C@@H](C)C1 ZINC001224428239 764204522 /nfs/dbraw/zinc/20/45/22/764204522.db2.gz SIOJVCSTJQJMQX-OLZOCXBDSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCCO[C@@H]1CC[C@H](C)C1 ZINC001224428240 764203480 /nfs/dbraw/zinc/20/34/80/764203480.db2.gz SIOJVCSTJQJMQX-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCCCO[C@H]1CC[C@H](C)C1 ZINC001224428241 764205041 /nfs/dbraw/zinc/20/50/41/764205041.db2.gz SIOJVCSTJQJMQX-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C#C[C@H](CCC)OCCCCCC=C ZINC001224428295 764204340 /nfs/dbraw/zinc/20/43/40/764204340.db2.gz UQRBMFZJDWIZKQ-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#C[C@@H](CCC)OCCCCCC=C ZINC001224428296 764203332 /nfs/dbraw/zinc/20/33/32/764203332.db2.gz UQRBMFZJDWIZKQ-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCCO[C@H](C=C)CC ZINC001224428299 764205355 /nfs/dbraw/zinc/20/53/55/764205355.db2.gz USEVEPMOYQRYHU-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCCCO[C@@H](C=C)CC ZINC001224428300 764205808 /nfs/dbraw/zinc/20/58/08/764205808.db2.gz USEVEPMOYQRYHU-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCCCO[C@@H]1C[C@H]2C[C@H]2C1 ZINC001224428428 764203734 /nfs/dbraw/zinc/20/37/34/764203734.db2.gz XHJMIMMMXXAUDU-CLLJXQQHSA-N 0 0 194.318 3.548 20 30 AHEDRN C#CC[C@@H](CC)OCCCCCC=C ZINC001224428499 764204365 /nfs/dbraw/zinc/20/43/65/764204365.db2.gz ZSBZFYCQHFYJRU-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#CC[C@H](CC)OCCCCCC=C ZINC001224428500 764204540 /nfs/dbraw/zinc/20/45/40/764204540.db2.gz ZSBZFYCQHFYJRU-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCCO[C@@H](C#CC)CC ZINC001224428522 764203948 /nfs/dbraw/zinc/20/39/48/764203948.db2.gz CZJIUXJSOCLTKJ-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCCO[C@H](C#CC)CC ZINC001224428523 764204699 /nfs/dbraw/zinc/20/46/99/764204699.db2.gz CZJIUXJSOCLTKJ-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCCO[C@H](C=C)CC=C ZINC001224428566 764204650 /nfs/dbraw/zinc/20/46/50/764204650.db2.gz RQNRDNSCCNGCGK-CYBMUJFWSA-N 0 0 194.318 3.880 20 30 AHEDRN C=CCCCCCO[C@@H](C=C)CC=C ZINC001224428567 764203857 /nfs/dbraw/zinc/20/38/57/764203857.db2.gz RQNRDNSCCNGCGK-ZDUSSCGKSA-N 0 0 194.318 3.880 20 30 AHEDRN C#C[C@@H](C)OCCCCCCCC=C ZINC001224507102 764217108 /nfs/dbraw/zinc/21/71/08/764217108.db2.gz BNZSUPIWBZPBPM-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#C[C@H](C)OCCCCCCCC=C ZINC001224507103 764215800 /nfs/dbraw/zinc/21/58/00/764215800.db2.gz BNZSUPIWBZPBPM-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCCCCCOC1CC1 ZINC001224507730 764216009 /nfs/dbraw/zinc/21/60/09/764216009.db2.gz LOJNDFIAAVKWMD-UHFFFAOYSA-N 0 0 182.307 3.692 20 30 AHEDRN C=CCCCCCCCOC(C)C ZINC001224508572 764217833 /nfs/dbraw/zinc/21/78/33/764217833.db2.gz ZVOTWASJOGXDCT-UHFFFAOYSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCO[C@H]1CCC[C@@H](C)C1 ZINC001224508755 764216120 /nfs/dbraw/zinc/21/61/20/764216120.db2.gz AJQOVNBKPUYQSA-NEPJUHHUSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@@H](C)CCCCC ZINC001224508836 764217656 /nfs/dbraw/zinc/21/76/56/764217656.db2.gz BRRMYLFAZPEVQX-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCO[C@H](C=C)CCCC ZINC001224508951 764217120 /nfs/dbraw/zinc/21/71/20/764217120.db2.gz CVPSOTMFUFFFLZ-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCO[C@@H](C=C)CCCC ZINC001224508952 764217901 /nfs/dbraw/zinc/21/79/01/764217901.db2.gz CVPSOTMFUFFFLZ-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCO[C@H](CC=C)C(C)C ZINC001224509171 764216647 /nfs/dbraw/zinc/21/66/47/764216647.db2.gz GYOXPNWKYXFRPU-GFCCVEGCSA-N 0 0 182.307 3.570 20 30 AHEDRN C=CCCCO[C@@H](CC=C)C(C)C ZINC001224509172 764216210 /nfs/dbraw/zinc/21/62/10/764216210.db2.gz GYOXPNWKYXFRPU-LBPRGKRZSA-N 0 0 182.307 3.570 20 30 AHEDRN C=CCCCO[C@H](CC)CCC=C ZINC001224509489 764216461 /nfs/dbraw/zinc/21/64/61/764216461.db2.gz MEEXEPKLCZWGRO-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCO[C@@H](CC)CCC=C ZINC001224509490 764216610 /nfs/dbraw/zinc/21/66/10/764216610.db2.gz MEEXEPKLCZWGRO-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCO[C@H](CC(=C)C)C(=C)C ZINC001224510242 764216076 /nfs/dbraw/zinc/21/60/76/764216076.db2.gz WICVAPKZSHHCQT-CYBMUJFWSA-N 0 0 194.318 3.880 20 30 AHEDRN C=CCCCO[C@@H](CC(=C)C)C(=C)C ZINC001224510243 764217049 /nfs/dbraw/zinc/21/70/49/764217049.db2.gz WICVAPKZSHHCQT-ZDUSSCGKSA-N 0 0 194.318 3.880 20 30 AHEDRN C=CCCCO[C@H](C)C1CCCC1 ZINC001224510418 764216201 /nfs/dbraw/zinc/21/62/01/764216201.db2.gz ACBIYNVOCCRWMN-LLVKDONJSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@@H](C)C1CCCC1 ZINC001224510422 764217554 /nfs/dbraw/zinc/21/75/54/764217554.db2.gz ACBIYNVOCCRWMN-NSHDSACASA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@@H]1CCC[C@H](C)C1 ZINC001224510499 764219045 /nfs/dbraw/zinc/21/90/45/764219045.db2.gz AJQOVNBKPUYQSA-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@H]1CCC[C@H](C)C1 ZINC001224510502 764221237 /nfs/dbraw/zinc/22/12/37/764221237.db2.gz AJQOVNBKPUYQSA-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@@H]1CCC[C@@H](C)C1 ZINC001224510511 764221408 /nfs/dbraw/zinc/22/14/08/764221408.db2.gz AJQOVNBKPUYQSA-VXGBXAGGSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@@H]1CCC=CCCC1 ZINC001224510547 764221130 /nfs/dbraw/zinc/22/11/30/764221130.db2.gz AWEITLDHYPSUIJ-CYBMUJFWSA-N 0 0 194.318 3.858 20 30 AHEDRN C=CCCCO[C@H]1CCC=CCCC1 ZINC001224510548 764219230 /nfs/dbraw/zinc/21/92/30/764219230.db2.gz AWEITLDHYPSUIJ-ZDUSSCGKSA-N 0 0 194.318 3.858 20 30 AHEDRN C=CCCCO[C@@H]1CCCC[C@H]1CC ZINC001224510579 764220049 /nfs/dbraw/zinc/22/00/49/764220049.db2.gz BOEQYNHPNFFXFI-CHWSQXEVSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCO[C@H]1CCCC[C@H]1CC ZINC001224510580 764218827 /nfs/dbraw/zinc/21/88/27/764218827.db2.gz BOEQYNHPNFFXFI-OLZOCXBDSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCO[C@@H]1CCCC[C@@H]1CC ZINC001224510584 764220151 /nfs/dbraw/zinc/22/01/51/764220151.db2.gz BOEQYNHPNFFXFI-QWHCGFSZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCO[C@H]1CCCC[C@@H]1CC ZINC001224510587 764219351 /nfs/dbraw/zinc/21/93/51/764219351.db2.gz BOEQYNHPNFFXFI-STQMWFEESA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCO[C@H](C)CCCCC ZINC001224510597 764220068 /nfs/dbraw/zinc/22/00/68/764220068.db2.gz BRRMYLFAZPEVQX-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCO[C@H]1CCCC[C@H]1C ZINC001224510629 764220607 /nfs/dbraw/zinc/22/06/07/764220607.db2.gz BZFPPGAEJJCXIR-NEPJUHHUSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@@H]1CCCC[C@@H]1C ZINC001224510631 764218874 /nfs/dbraw/zinc/21/88/74/764218874.db2.gz BZFPPGAEJJCXIR-NWDGAFQWSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@H]1CCCC[C@@H]1C ZINC001224510633 764221191 /nfs/dbraw/zinc/22/11/91/764221191.db2.gz BZFPPGAEJJCXIR-RYUDHWBXSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@@H]1CCCC[C@H]1C ZINC001224510636 764219297 /nfs/dbraw/zinc/21/92/97/764219297.db2.gz BZFPPGAEJJCXIR-VXGBXAGGSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@H]1CC[C@H](CC)CC1 ZINC001224510869 764220354 /nfs/dbraw/zinc/22/03/54/764220354.db2.gz FSQKYUGORYDMAU-JOCQHMNTSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCOC1CCC(CC)CC1 ZINC001224510870 764220209 /nfs/dbraw/zinc/22/02/09/764220209.db2.gz FSQKYUGORYDMAU-UHFFFAOYSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCO[C@H]1[C@H](C)CCC[C@@H]1C ZINC001224510901 764219471 /nfs/dbraw/zinc/21/94/71/764219471.db2.gz GBVLZYALALDYIV-ITGUQSILSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCOC1[C@@H](C)CCC[C@@H]1C ZINC001224510902 764220179 /nfs/dbraw/zinc/22/01/79/764220179.db2.gz GBVLZYALALDYIV-RYUDHWBXSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCOC1[C@H](C)CCC[C@H]1C ZINC001224510903 764220922 /nfs/dbraw/zinc/22/09/22/764220922.db2.gz GBVLZYALALDYIV-VXGBXAGGSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@H](CC)C(C)(C)C ZINC001224510964 764220336 /nfs/dbraw/zinc/22/03/36/764220336.db2.gz GPKSSGCKDITBIF-LLVKDONJSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCO[C@@H](CC)C(C)(C)C ZINC001224510965 764219194 /nfs/dbraw/zinc/21/91/94/764219194.db2.gz GPKSSGCKDITBIF-NSHDSACASA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCO[C@H]1CC2CCC1CC2 ZINC001224510977 764220250 /nfs/dbraw/zinc/22/02/50/764220250.db2.gz GYUPYZUNBPTNRM-BPCQOVAHSA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCCCO[C@@H]1CC2CCC1CC2 ZINC001224510979 764221315 /nfs/dbraw/zinc/22/13/15/764221315.db2.gz GYUPYZUNBPTNRM-WXRRBKDZSA-N 0 0 194.318 3.548 20 30 AHEDRN C=CCCCO[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001224510996 764219645 /nfs/dbraw/zinc/21/96/45/764219645.db2.gz HPXUVEOZXGIVCQ-FRRDWIJNSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1C[C@H](C)CC[C@H]1C ZINC001224510997 764221323 /nfs/dbraw/zinc/22/13/23/764221323.db2.gz HPXUVEOZXGIVCQ-JHJVBQTASA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001224510998 764219453 /nfs/dbraw/zinc/21/94/53/764219453.db2.gz HPXUVEOZXGIVCQ-RWMBFGLXSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001224510999 764220245 /nfs/dbraw/zinc/22/02/45/764220245.db2.gz HPXUVEOZXGIVCQ-YNEHKIRRSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@H](CC=C)CCC ZINC001224511084 764220528 /nfs/dbraw/zinc/22/05/28/764220528.db2.gz JDFYJNFQAORKBG-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCO[C@@H](CC=C)CCC ZINC001224511085 764218985 /nfs/dbraw/zinc/21/89/85/764218985.db2.gz JDFYJNFQAORKBG-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CCCCO[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001224511095 764219832 /nfs/dbraw/zinc/21/98/32/764219832.db2.gz JLBVDVWFXIAFOJ-FRRDWIJNSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001224511096 764218796 /nfs/dbraw/zinc/21/87/96/764218796.db2.gz JLBVDVWFXIAFOJ-JHJVBQTASA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001224511097 764220738 /nfs/dbraw/zinc/22/07/38/764220738.db2.gz JLBVDVWFXIAFOJ-RWMBFGLXSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1CCC[C@H](C)[C@H]1C ZINC001224511115 764219995 /nfs/dbraw/zinc/21/99/95/764219995.db2.gz JLBVDVWFXIAFOJ-YNEHKIRRSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@H](C)CCCC ZINC001224511142 764220874 /nfs/dbraw/zinc/22/08/74/764220874.db2.gz KKPMMBFOHOGQKE-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCCO[C@@H](C)CCCC ZINC001224511143 764220160 /nfs/dbraw/zinc/22/01/60/764220160.db2.gz KKPMMBFOHOGQKE-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C#C[C@H](CCCCC)OCCCC=C ZINC001224511162 764219990 /nfs/dbraw/zinc/21/99/90/764219990.db2.gz LERVUZXEAGGRQE-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#C[C@@H](CCCCC)OCCCC=C ZINC001224511163 764220939 /nfs/dbraw/zinc/22/09/39/764220939.db2.gz LERVUZXEAGGRQE-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CCCCO[C@H](CC)CCCC ZINC001224511174 764220761 /nfs/dbraw/zinc/22/07/61/764220761.db2.gz LNJBBFOOJREJKT-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCO[C@@H](CC)CCCC ZINC001224511175 764218790 /nfs/dbraw/zinc/21/87/90/764218790.db2.gz LNJBBFOOJREJKT-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCO[C@H](CCC)C(C)C ZINC001224511373 764221396 /nfs/dbraw/zinc/22/13/96/764221396.db2.gz NWQONERJCUZEQT-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCO[C@@H](CCC)C(C)C ZINC001224511379 764221421 /nfs/dbraw/zinc/22/14/21/764221421.db2.gz NWQONERJCUZEQT-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCO[C@H](C)CCC(C)C ZINC001224511658 764219052 /nfs/dbraw/zinc/21/90/52/764219052.db2.gz QMHDYRRYSJEYJI-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCO[C@@H](C)CCC(C)C ZINC001224511659 764220271 /nfs/dbraw/zinc/22/02/71/764220271.db2.gz QMHDYRRYSJEYJI-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCCCO[C@H]1CC[C@H](C)CC1 ZINC001224511789 764219183 /nfs/dbraw/zinc/21/91/83/764219183.db2.gz SKYBKOGJLXSJRM-HAQNSBGRSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@H]1CC[C@@H](C)CC1 ZINC001224511790 764219478 /nfs/dbraw/zinc/21/94/78/764219478.db2.gz SKYBKOGJLXSJRM-TXEJJXNPSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCOC1CCC(C)CC1 ZINC001224511791 764220239 /nfs/dbraw/zinc/22/02/39/764220239.db2.gz SKYBKOGJLXSJRM-UHFFFAOYSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCCCO[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001224511842 764220400 /nfs/dbraw/zinc/22/04/00/764220400.db2.gz USKJPPAAWQWESS-FRRDWIJNSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001224511843 764219333 /nfs/dbraw/zinc/21/93/33/764219333.db2.gz USKJPPAAWQWESS-JHJVBQTASA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001224511844 764218904 /nfs/dbraw/zinc/21/89/04/764218904.db2.gz USKJPPAAWQWESS-RWMBFGLXSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001224511845 764220440 /nfs/dbraw/zinc/22/04/40/764220440.db2.gz USKJPPAAWQWESS-YNEHKIRRSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@@H]1CCCC(C)(C)C1 ZINC001224511848 764220429 /nfs/dbraw/zinc/22/04/29/764220429.db2.gz UXKYHXJBJAEIMN-GFCCVEGCSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCO[C@H]1CCCC(C)(C)C1 ZINC001224511849 764219242 /nfs/dbraw/zinc/21/92/42/764219242.db2.gz UXKYHXJBJAEIMN-LBPRGKRZSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCOC(CCC)CCC ZINC001224511970 764220553 /nfs/dbraw/zinc/22/05/53/764220553.db2.gz YFGZSQBZLRESOR-UHFFFAOYSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCCCOC(C(C)C)C(C)C ZINC001224511987 764220729 /nfs/dbraw/zinc/22/07/29/764220729.db2.gz YVLISBHTSDRWKM-UHFFFAOYSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CCCCO[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001224511991 764220014 /nfs/dbraw/zinc/22/00/14/764220014.db2.gz ZBNOUXJLUHWZAI-ITGUQSILSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCOC1C[C@@H](C)C[C@H](C)C1 ZINC001224511992 764219124 /nfs/dbraw/zinc/21/91/24/764219124.db2.gz ZBNOUXJLUHWZAI-RYUDHWBXSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCOC1C[C@H](C)C[C@@H](C)C1 ZINC001224511993 764220307 /nfs/dbraw/zinc/22/03/07/764220307.db2.gz ZBNOUXJLUHWZAI-VXGBXAGGSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CCCCO[C@H](CC)CCC ZINC001224512018 764219717 /nfs/dbraw/zinc/21/97/17/764219717.db2.gz ZZKFIWLQVWPRBL-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCCO[C@@H](CC)CCC ZINC001224512019 764221346 /nfs/dbraw/zinc/22/13/46/764221346.db2.gz ZZKFIWLQVWPRBL-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CCCCOC1CCC(C)(C)CC1 ZINC001224514333 764219909 /nfs/dbraw/zinc/21/99/09/764219909.db2.gz TUIPIZPUVRRYDY-UHFFFAOYSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CCCCO[C@@H](C)c1cccs1 ZINC001224514946 764220654 /nfs/dbraw/zinc/22/06/54/764220654.db2.gz XQXQOYXVIDYHFM-JTQLQIEISA-N 0 0 196.315 3.792 20 30 AHEDRN C=CCCCO[C@H](C)c1cccs1 ZINC001224514947 764218711 /nfs/dbraw/zinc/21/87/11/764218711.db2.gz XQXQOYXVIDYHFM-SNVBAGLBSA-N 0 0 196.315 3.792 20 30 AHEDRN C=CCCCO[C@@H](C)c1ccccc1 ZINC001224515310 764220458 /nfs/dbraw/zinc/22/04/58/764220458.db2.gz ZCEQZIQFUPAAJA-LBPRGKRZSA-N 0 0 190.286 3.730 20 30 AHEDRN C=C[C@@H](C)OCCCCCCCC ZINC001224569928 764222551 /nfs/dbraw/zinc/22/25/51/764222551.db2.gz BZDLLAQEYRIIRO-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@H](C)OCCCCCCCC ZINC001224569929 764224324 /nfs/dbraw/zinc/22/43/24/764224324.db2.gz BZDLLAQEYRIIRO-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C#C[C@H](CC)OCCCCCCCC ZINC001224570043 764222846 /nfs/dbraw/zinc/22/28/46/764222846.db2.gz FMDGKXIZJKUNRA-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#C[C@@H](CC)OCCCCCCCC ZINC001224570044 764222822 /nfs/dbraw/zinc/22/28/22/764222822.db2.gz FMDGKXIZJKUNRA-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CC[C@@H](C)OCCCCCCCC ZINC001224570620 764224070 /nfs/dbraw/zinc/22/40/70/764224070.db2.gz PVZAFYDMMSCALM-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CC[C@H](C)OCCCCCCCC ZINC001224570622 764222449 /nfs/dbraw/zinc/22/24/49/764222449.db2.gz PVZAFYDMMSCALM-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN CCCCCCCCOC1CCC1 ZINC001224570704 764222111 /nfs/dbraw/zinc/22/21/11/764222111.db2.gz RXUWOKOWTGYPEV-UHFFFAOYSA-N 0 0 184.323 3.916 20 30 AHEDRN CCCCCCCOC1CC=CC1 ZINC001224616991 764227350 /nfs/dbraw/zinc/22/73/50/764227350.db2.gz AIIAFFGJBCXSMG-UHFFFAOYSA-N 0 0 182.307 3.692 20 30 AHEDRN C=CC[C@@H](C)OCCCCCCC ZINC001224617167 764225663 /nfs/dbraw/zinc/22/56/63/764225663.db2.gz FZCJNNZNOLOHSQ-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN CCCCCCCOC1CCC1 ZINC001224617185 764226623 /nfs/dbraw/zinc/22/66/23/764226623.db2.gz GREYUQWULLNNLZ-UHFFFAOYSA-N 0 0 170.296 3.526 20 30 AHEDRN CCCCCCCO[C@H](C)C1CC1 ZINC001224617322 764225780 /nfs/dbraw/zinc/22/57/80/764225780.db2.gz JZWOVUKYLWJECN-LLVKDONJSA-N 0 0 184.323 3.772 20 30 AHEDRN CCCCCCCO[C@@H](C)C1CC1 ZINC001224617323 764227446 /nfs/dbraw/zinc/22/74/46/764227446.db2.gz JZWOVUKYLWJECN-NSHDSACASA-N 0 0 184.323 3.772 20 30 AHEDRN C=C[C@@H](C)OCCCCCCC ZINC001224617419 764226767 /nfs/dbraw/zinc/22/67/67/764226767.db2.gz MGNRMALOILGDFG-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C[C@H](C)OCCCCCCC ZINC001224617420 764225098 /nfs/dbraw/zinc/22/50/98/764225098.db2.gz MGNRMALOILGDFG-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN CC#C[C@@H](CC)OCCCCCCC ZINC001224617990 764225744 /nfs/dbraw/zinc/22/57/44/764225744.db2.gz BGRTYCPVSABALR-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN CC#C[C@H](CC)OCCCCCCC ZINC001224617991 764227411 /nfs/dbraw/zinc/22/74/11/764227411.db2.gz BGRTYCPVSABALR-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C#C[C@@H](OCCCCCCC)C(C)C ZINC001224618431 764225889 /nfs/dbraw/zinc/22/58/89/764225889.db2.gz GZUJQTBUONEVGS-CYBMUJFWSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](OCCCCCCC)C(C)C ZINC001224618432 764225404 /nfs/dbraw/zinc/22/54/04/764225404.db2.gz GZUJQTBUONEVGS-ZDUSSCGKSA-N 0 0 196.334 3.631 20 30 AHEDRN CCC#C[C@@H](C)OCCCCCCC ZINC001224619084 764226519 /nfs/dbraw/zinc/22/65/19/764226519.db2.gz KEVLPBZDWMSDKF-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN CCC#C[C@H](C)OCCCCCCC ZINC001224619085 764225535 /nfs/dbraw/zinc/22/55/35/764225535.db2.gz KEVLPBZDWMSDKF-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CC[C@@H](CC)OCCCCCCC ZINC001224619405 764226916 /nfs/dbraw/zinc/22/69/16/764226916.db2.gz NGHVJCXUTBLGKP-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#CC[C@H](CC)OCCCCCCC ZINC001224619406 764226345 /nfs/dbraw/zinc/22/63/45/764226345.db2.gz NGHVJCXUTBLGKP-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN CCCCCCCO[C@@H]1C[C@H]2C[C@H]2C1 ZINC001224619856 764226334 /nfs/dbraw/zinc/22/63/34/764226334.db2.gz SRSCGFIGHHOFTC-CLLJXQQHSA-N 0 0 196.334 3.772 20 30 AHEDRN CCCCCCCO[C@@H]1C=CCC1 ZINC001224620080 764227398 /nfs/dbraw/zinc/22/73/98/764227398.db2.gz SVNVKUWRDSBHLC-GFCCVEGCSA-N 0 0 182.307 3.692 20 30 AHEDRN CCCCCCCO[C@H]1C=CCC1 ZINC001224620081 764225695 /nfs/dbraw/zinc/22/56/95/764225695.db2.gz SVNVKUWRDSBHLC-LBPRGKRZSA-N 0 0 182.307 3.692 20 30 AHEDRN C#C[C@H](CCC)OCCCCCCC ZINC001224620088 764225123 /nfs/dbraw/zinc/22/51/23/764225123.db2.gz TUTJCIKFOWVBNY-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#C[C@@H](CCC)OCCCCCCC ZINC001224620091 764225337 /nfs/dbraw/zinc/22/53/37/764225337.db2.gz TUTJCIKFOWVBNY-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C=CC[C@@H](OCCCCC)C(C)C ZINC001224659166 764232436 /nfs/dbraw/zinc/23/24/36/764232436.db2.gz BSQBWYYTYQGOGG-GFCCVEGCSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@H](OCCCCC)C(C)C ZINC001224659168 764232023 /nfs/dbraw/zinc/23/20/23/764232023.db2.gz BSQBWYYTYQGOGG-LBPRGKRZSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC[C@@H](CC)OCCCCC ZINC001224660330 764232107 /nfs/dbraw/zinc/23/21/07/764232107.db2.gz HXRPYZCUWKMHIC-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CCC[C@H](CC)OCCCCC ZINC001224660331 764230876 /nfs/dbraw/zinc/23/08/76/764230876.db2.gz HXRPYZCUWKMHIC-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@H](CCC)OCCCCC ZINC001224660654 764231375 /nfs/dbraw/zinc/23/13/75/764231375.db2.gz LLHQFLOPQZQVQS-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C[C@@H](CCC)OCCCCC ZINC001224660656 764231575 /nfs/dbraw/zinc/23/15/75/764231575.db2.gz LLHQFLOPQZQVQS-NSHDSACASA-N 0 0 170.296 3.548 20 30 AHEDRN C=CC[C@H](CCC)OCCCCC ZINC001224660771 764230931 /nfs/dbraw/zinc/23/09/31/764230931.db2.gz OBZDZAYSJHHXML-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=CC[C@@H](CCC)OCCCCC ZINC001224660772 764231203 /nfs/dbraw/zinc/23/12/03/764231203.db2.gz OBZDZAYSJHHXML-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@H](CCCC)OCCCCC ZINC001224662322 764230986 /nfs/dbraw/zinc/23/09/86/764230986.db2.gz YUOOTTGEMAMVAI-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@@H](CCCC)OCCCCC ZINC001224662323 764231434 /nfs/dbraw/zinc/23/14/34/764231434.db2.gz YUOOTTGEMAMVAI-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C#C[C@H](CCCCC)OC[C@H](C)CC ZINC001224662382 764231546 /nfs/dbraw/zinc/23/15/46/764231546.db2.gz FBLLBZPGTYGSHH-CHWSQXEVSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CCCCC)OC[C@H](C)CC ZINC001224662384 764230625 /nfs/dbraw/zinc/23/06/25/764230625.db2.gz FBLLBZPGTYGSHH-OLZOCXBDSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](CCCCC)OC[C@@H](C)CC ZINC001224662385 764232283 /nfs/dbraw/zinc/23/22/83/764232283.db2.gz FBLLBZPGTYGSHH-QWHCGFSZSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CCCCC)OC[C@@H](C)CC ZINC001224662386 764232601 /nfs/dbraw/zinc/23/26/01/764232601.db2.gz FBLLBZPGTYGSHH-STQMWFEESA-N 0 0 196.334 3.631 20 30 AHEDRN C=CCC(CC=C)OC[C@H](C)CC ZINC001224662916 764234945 /nfs/dbraw/zinc/23/49/45/764234945.db2.gz IDUCCEXRCPUHDP-LLVKDONJSA-N 0 0 182.307 3.570 20 30 AHEDRN C=CCC(CC=C)OC[C@@H](C)CC ZINC001224662918 764235209 /nfs/dbraw/zinc/23/52/09/764235209.db2.gz IDUCCEXRCPUHDP-NSHDSACASA-N 0 0 182.307 3.570 20 30 AHEDRN C=CC[C@@H](CCC)OC[C@H](C)CC ZINC001224664568 764233650 /nfs/dbraw/zinc/23/36/50/764233650.db2.gz QYCIQGGRDVIYLE-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@H](CCC)OC[C@@H](C)CC ZINC001224664569 764234609 /nfs/dbraw/zinc/23/46/09/764234609.db2.gz QYCIQGGRDVIYLE-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@@H](CCC)OC[C@@H](C)CC ZINC001224664570 764234769 /nfs/dbraw/zinc/23/47/69/764234769.db2.gz QYCIQGGRDVIYLE-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@H](CCC)OC[C@H](C)CC ZINC001224664571 764233481 /nfs/dbraw/zinc/23/34/81/764233481.db2.gz QYCIQGGRDVIYLE-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC[C@H](CC)OC[C@H](C)CC ZINC001224667060 764237267 /nfs/dbraw/zinc/23/72/67/764237267.db2.gz DOTPFTHNFWIZDE-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC[C@@H](CC)OC[C@@H](C)CC ZINC001224667063 764236614 /nfs/dbraw/zinc/23/66/14/764236614.db2.gz DOTPFTHNFWIZDE-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC[C@H](CC)OC[C@@H](C)CC ZINC001224667065 764237827 /nfs/dbraw/zinc/23/78/27/764237827.db2.gz DOTPFTHNFWIZDE-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC[C@@H](CC)OC[C@H](C)CC ZINC001224667067 764236751 /nfs/dbraw/zinc/23/67/51/764236751.db2.gz DOTPFTHNFWIZDE-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CC[C@H](OC[C@H](C)CC)C(C)C ZINC001224667625 764238427 /nfs/dbraw/zinc/23/84/27/764238427.db2.gz JVJCWWPQAROODE-NEPJUHHUSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CC[C@@H](OC[C@@H](C)CC)C(C)C ZINC001224667626 764237774 /nfs/dbraw/zinc/23/77/74/764237774.db2.gz JVJCWWPQAROODE-NWDGAFQWSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CC[C@H](OC[C@@H](C)CC)C(C)C ZINC001224667627 764236061 /nfs/dbraw/zinc/23/60/61/764236061.db2.gz JVJCWWPQAROODE-RYUDHWBXSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CC[C@@H](OC[C@H](C)CC)C(C)C ZINC001224667628 764238026 /nfs/dbraw/zinc/23/80/26/764238026.db2.gz JVJCWWPQAROODE-VXGBXAGGSA-N 0 0 184.323 3.650 20 30 AHEDRN C=CC[C@@H](C)OCCCCCC ZINC001224668439 764241999 /nfs/dbraw/zinc/24/19/99/764241999.db2.gz SIJRPYAJJBRRJF-LLVKDONJSA-N 0 0 170.296 3.548 20 30 AHEDRN C=C(C)C[C@@H](OC[C@H](C)CC)C(=C)C ZINC001224668599 764240482 /nfs/dbraw/zinc/24/04/82/764240482.db2.gz UOIIUHMGWIMFGP-CHWSQXEVSA-N 0 0 196.334 3.960 20 30 AHEDRN C=C(C)C[C@H](OC[C@H](C)CC)C(=C)C ZINC001224668600 764239849 /nfs/dbraw/zinc/23/98/49/764239849.db2.gz UOIIUHMGWIMFGP-OLZOCXBDSA-N 0 0 196.334 3.960 20 30 AHEDRN C=C(C)C[C@@H](OC[C@@H](C)CC)C(=C)C ZINC001224668601 764240700 /nfs/dbraw/zinc/24/07/00/764240700.db2.gz UOIIUHMGWIMFGP-QWHCGFSZSA-N 0 0 196.334 3.960 20 30 AHEDRN C=C(C)C[C@H](OC[C@@H](C)CC)C(=C)C ZINC001224668602 764241382 /nfs/dbraw/zinc/24/13/82/764241382.db2.gz UOIIUHMGWIMFGP-STQMWFEESA-N 0 0 196.334 3.960 20 30 AHEDRN C=C[C@@H](CCCC)OC[C@H](C)CC ZINC001224668807 764241791 /nfs/dbraw/zinc/24/17/91/764241791.db2.gz XLYVWZMMPAZLSH-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@H](CCCC)OC[C@@H](C)CC ZINC001224668808 764239487 /nfs/dbraw/zinc/23/94/87/764239487.db2.gz XLYVWZMMPAZLSH-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@@H](CCCC)OC[C@@H](C)CC ZINC001224668809 764240721 /nfs/dbraw/zinc/24/07/21/764240721.db2.gz XLYVWZMMPAZLSH-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@H](CCCC)OC[C@H](C)CC ZINC001224668810 764240506 /nfs/dbraw/zinc/24/05/06/764240506.db2.gz XLYVWZMMPAZLSH-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@H](CCC)OCCCCCC ZINC001224669535 764240046 /nfs/dbraw/zinc/24/00/46/764240046.db2.gz HGMSKUOTALALET-GFCCVEGCSA-N 0 0 184.323 3.938 20 30 AHEDRN C=C[C@@H](CCC)OCCCCCC ZINC001224669541 764239321 /nfs/dbraw/zinc/23/93/21/764239321.db2.gz HGMSKUOTALALET-LBPRGKRZSA-N 0 0 184.323 3.938 20 30 AHEDRN C#C[C@H](CCCC)OCCCCCC ZINC001224669712 764241270 /nfs/dbraw/zinc/24/12/70/764241270.db2.gz IOPWBEORRSABQH-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN C#C[C@@H](CCCC)OCCCCCC ZINC001224669713 764239226 /nfs/dbraw/zinc/23/92/26/764239226.db2.gz IOPWBEORRSABQH-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C=CC[C@@H](C=C)OCCCCCC ZINC001224670146 764240447 /nfs/dbraw/zinc/24/04/47/764240447.db2.gz QLCAHGDBFZCXGL-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=CC[C@H](C=C)OCCCCCC ZINC001224670147 764241449 /nfs/dbraw/zinc/24/14/49/764241449.db2.gz QLCAHGDBFZCXGL-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN CC#CC[C@@H](CC)OCCCCCC ZINC001224670302 764241184 /nfs/dbraw/zinc/24/11/84/764241184.db2.gz SQCDCUJREKBNLU-CYBMUJFWSA-N 0 0 196.334 3.775 20 30 AHEDRN CC#CC[C@H](CC)OCCCCCC ZINC001224670305 764240529 /nfs/dbraw/zinc/24/05/29/764240529.db2.gz SQCDCUJREKBNLU-ZDUSSCGKSA-N 0 0 196.334 3.775 20 30 AHEDRN C#C[C@H](CC(C)C)OCCCCCC ZINC001224670873 764239419 /nfs/dbraw/zinc/23/94/19/764239419.db2.gz ZNJDFBPFRSKXFC-CYBMUJFWSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CC(C)C)OCCCCCC ZINC001224670874 764239442 /nfs/dbraw/zinc/23/94/42/764239442.db2.gz ZNJDFBPFRSKXFC-ZDUSSCGKSA-N 0 0 196.334 3.631 20 30 AHEDRN CCCCCCC[C@@H](C)OCCF ZINC001224673956 764242951 /nfs/dbraw/zinc/24/29/51/764242951.db2.gz JUKQFEGILCQHEX-LLVKDONJSA-N 0 0 190.302 3.722 20 30 AHEDRN CCCCCCC[C@H](C)OCCF ZINC001224673957 764243677 /nfs/dbraw/zinc/24/36/77/764243677.db2.gz JUKQFEGILCQHEX-NSHDSACASA-N 0 0 190.302 3.722 20 30 AHEDRN CC[C@@H](OCCCCCC#N)C(C)C ZINC001224689285 764247076 /nfs/dbraw/zinc/24/70/76/764247076.db2.gz AURJNKAHFBGMSC-GFCCVEGCSA-N 0 0 197.322 3.522 20 30 AHEDRN CC[C@H](OCCCCCC#N)C(C)C ZINC001224689286 764246491 /nfs/dbraw/zinc/24/64/91/764246491.db2.gz AURJNKAHFBGMSC-LBPRGKRZSA-N 0 0 197.322 3.522 20 30 AHEDRN C=CC(C=C)OC[C@H](CC)CCCC ZINC001224707568 764251048 /nfs/dbraw/zinc/25/10/48/764251048.db2.gz JRFCWYPZEVGVGP-GFCCVEGCSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CC(C=C)OC[C@@H](CC)CCCC ZINC001224707569 764249176 /nfs/dbraw/zinc/24/91/76/764249176.db2.gz JRFCWYPZEVGVGP-LBPRGKRZSA-N 0 0 196.334 3.960 20 30 AHEDRN C#CC[C@@H](C)OC[C@H](CC)CCCC ZINC001224708113 764248284 /nfs/dbraw/zinc/24/82/84/764248284.db2.gz WSEYTZMUQPTGNU-CHWSQXEVSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CC[C@@H](C)OC[C@@H](CC)CCCC ZINC001224708114 764248500 /nfs/dbraw/zinc/24/85/00/764248500.db2.gz WSEYTZMUQPTGNU-OLZOCXBDSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CC[C@H](C)OC[C@H](CC)CCCC ZINC001224708115 764250042 /nfs/dbraw/zinc/25/00/42/764250042.db2.gz WSEYTZMUQPTGNU-QWHCGFSZSA-N 0 0 196.334 3.631 20 30 AHEDRN C#CC[C@H](C)OC[C@@H](CC)CCCC ZINC001224708116 764250978 /nfs/dbraw/zinc/25/09/78/764250978.db2.gz WSEYTZMUQPTGNU-STQMWFEESA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](CC)OC[C@H](CC)CCCC ZINC001224710455 764248541 /nfs/dbraw/zinc/24/85/41/764248541.db2.gz XNARLSFTEPBVSV-CHWSQXEVSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CC)OC[C@H](CC)CCCC ZINC001224710456 764249126 /nfs/dbraw/zinc/24/91/26/764249126.db2.gz XNARLSFTEPBVSV-OLZOCXBDSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](CC)OC[C@@H](CC)CCCC ZINC001224710457 764251004 /nfs/dbraw/zinc/25/10/04/764251004.db2.gz XNARLSFTEPBVSV-QWHCGFSZSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CC)OC[C@@H](CC)CCCC ZINC001224710458 764248309 /nfs/dbraw/zinc/24/83/09/764248309.db2.gz XNARLSFTEPBVSV-STQMWFEESA-N 0 0 196.334 3.631 20 30 AHEDRN C=C[C@@H](C)OC[C@@H](CC)CCCC ZINC001224710696 764250940 /nfs/dbraw/zinc/25/09/40/764250940.db2.gz ZEUUDKYRQAKXRA-NEPJUHHUSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@H](C)OC[C@H](CC)CCCC ZINC001224710700 764248717 /nfs/dbraw/zinc/24/87/17/764248717.db2.gz ZEUUDKYRQAKXRA-NWDGAFQWSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@H](C)OC[C@@H](CC)CCCC ZINC001224710702 764250957 /nfs/dbraw/zinc/25/09/57/764250957.db2.gz ZEUUDKYRQAKXRA-RYUDHWBXSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@@H](C)OC[C@H](CC)CCCC ZINC001224710703 764249621 /nfs/dbraw/zinc/24/96/21/764249621.db2.gz ZEUUDKYRQAKXRA-VXGBXAGGSA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC(CC=C)OCCC=C(C)C ZINC001224714907 764250062 /nfs/dbraw/zinc/25/00/62/764250062.db2.gz KMIQCYAEBCJCHR-UHFFFAOYSA-N 0 0 194.318 3.880 20 30 AHEDRN C#C[C@H](CCCC)OCCC=C(C)C ZINC001224716430 764254149 /nfs/dbraw/zinc/25/41/49/764254149.db2.gz LNKJDHVHPIEJSV-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN C#C[C@@H](CCCC)OCCC=C(C)C ZINC001224716434 764253767 /nfs/dbraw/zinc/25/37/67/764253767.db2.gz LNKJDHVHPIEJSV-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=C[C@H](CCC)OCCC=C(C)C ZINC001224716489 764252989 /nfs/dbraw/zinc/25/29/89/764252989.db2.gz MASRLMHCTCNKFE-GFCCVEGCSA-N 0 0 182.307 3.714 20 30 AHEDRN C=C[C@@H](CCC)OCCC=C(C)C ZINC001224716491 764254194 /nfs/dbraw/zinc/25/41/94/764254194.db2.gz MASRLMHCTCNKFE-LBPRGKRZSA-N 0 0 182.307 3.714 20 30 AHEDRN CC#CC[C@@H](CC)OCCC=C(C)C ZINC001224716640 764253377 /nfs/dbraw/zinc/25/33/77/764253377.db2.gz OGNKHTSXDMSSIE-CYBMUJFWSA-N 0 0 194.318 3.551 20 30 AHEDRN CC#CC[C@H](CC)OCCC=C(C)C ZINC001224716641 764252484 /nfs/dbraw/zinc/25/24/84/764252484.db2.gz OGNKHTSXDMSSIE-ZDUSSCGKSA-N 0 0 194.318 3.551 20 30 AHEDRN C=CC[C@@H](OCCC=C(C)C)C(C)C ZINC001224717293 764253837 /nfs/dbraw/zinc/25/38/37/764253837.db2.gz VNULXHWGQZLLMG-CYBMUJFWSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CC[C@H](OCCC=C(C)C)C(C)C ZINC001224717294 764253132 /nfs/dbraw/zinc/25/31/32/764253132.db2.gz VNULXHWGQZLLMG-ZDUSSCGKSA-N 0 0 196.334 3.960 20 30 AHEDRN C=CC[C@@H](C=C)OCCC(C)(C)C ZINC001224724310 764252352 /nfs/dbraw/zinc/25/23/52/764252352.db2.gz CSSMPNFVDVEXPY-LLVKDONJSA-N 0 0 182.307 3.570 20 30 AHEDRN C=CC[C@H](C=C)OCCC(C)(C)C ZINC001224724317 764252438 /nfs/dbraw/zinc/25/24/38/764252438.db2.gz CSSMPNFVDVEXPY-NSHDSACASA-N 0 0 182.307 3.570 20 30 AHEDRN CC#CC[C@@H](CC)OCCC(C)(C)C ZINC001224724556 764254144 /nfs/dbraw/zinc/25/41/44/764254144.db2.gz HZDPWOULJSJOFI-GFCCVEGCSA-N 0 0 196.334 3.631 20 30 AHEDRN CC#CC[C@H](CC)OCCC(C)(C)C ZINC001224724557 764252764 /nfs/dbraw/zinc/25/27/64/764252764.db2.gz HZDPWOULJSJOFI-LBPRGKRZSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@H](CCCC)OCCC(C)(C)C ZINC001224724800 764252761 /nfs/dbraw/zinc/25/27/61/764252761.db2.gz JMRWBXZWCYLYTA-GFCCVEGCSA-N 0 0 196.334 3.631 20 30 AHEDRN C#C[C@@H](CCCC)OCCC(C)(C)C ZINC001224724801 764254140 /nfs/dbraw/zinc/25/41/40/764254140.db2.gz JMRWBXZWCYLYTA-LBPRGKRZSA-N 0 0 196.334 3.631 20 30 AHEDRN C=C[C@H](CCC)OCCC(C)(C)C ZINC001224725629 764252915 /nfs/dbraw/zinc/25/29/15/764252915.db2.gz UMZNEVKMEKDVQF-LLVKDONJSA-N 0 0 184.323 3.794 20 30 AHEDRN C=C[C@@H](CCC)OCCC(C)(C)C ZINC001224725631 764254180 /nfs/dbraw/zinc/25/41/80/764254180.db2.gz UMZNEVKMEKDVQF-NSHDSACASA-N 0 0 184.323 3.794 20 30 AHEDRN C=CCC(CC=C)OCCC(C)(C)C ZINC001224726925 764255681 /nfs/dbraw/zinc/25/56/81/764255681.db2.gz JTIMLTAUZRAKHJ-UHFFFAOYSA-N 0 0 196.334 3.960 20 30 AHEDRN C=C(CO[C@H](C)CC)c1ccccc1 ZINC001224733702 764255006 /nfs/dbraw/zinc/25/50/06/764255006.db2.gz DLPOPQSYIDYBRS-GFCCVEGCSA-N 0 0 190.286 3.515 20 30 AHEDRN C=C(CO[C@@H](C)CC)c1ccccc1 ZINC001224733703 764256870 /nfs/dbraw/zinc/25/68/70/764256870.db2.gz DLPOPQSYIDYBRS-LBPRGKRZSA-N 0 0 190.286 3.515 20 30 AHEDRN C=C[C@H](CCCCC)OCCC1CC1 ZINC001224758334 764259052 /nfs/dbraw/zinc/25/90/52/764259052.db2.gz CDYUSVRFIRAUIB-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C[C@@H](CCCCC)OCCC1CC1 ZINC001224758335 764259755 /nfs/dbraw/zinc/25/97/55/764259755.db2.gz CDYUSVRFIRAUIB-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC[C@H](CCC)OCCC1CC1 ZINC001224759036 764263326 /nfs/dbraw/zinc/26/33/26/764263326.db2.gz SAEMXXNBVOZSKA-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CC[C@@H](CCC)OCCC1CC1 ZINC001224759037 764261304 /nfs/dbraw/zinc/26/13/04/764261304.db2.gz SAEMXXNBVOZSKA-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CC[C@H](CCCC)OCCC1CC1 ZINC001224760891 764262353 /nfs/dbraw/zinc/26/23/53/764262353.db2.gz DNCBBQRVRQEUPS-CYBMUJFWSA-N 0 0 196.334 3.938 20 30 AHEDRN C=CC[C@@H](CCCC)OCCC1CC1 ZINC001224760892 764261471 /nfs/dbraw/zinc/26/14/71/764261471.db2.gz DNCBBQRVRQEUPS-ZDUSSCGKSA-N 0 0 196.334 3.938 20 30 AHEDRN C=C(C)C[C@@H](OCCC1CC1)C(=C)C ZINC001224761505 764263438 /nfs/dbraw/zinc/26/34/38/764263438.db2.gz OSROYADVBCNTHZ-CYBMUJFWSA-N 0 0 194.318 3.714 20 30 AHEDRN C=C(C)C[C@H](OCCC1CC1)C(=C)C ZINC001224761506 764262927 /nfs/dbraw/zinc/26/29/27/764262927.db2.gz OSROYADVBCNTHZ-ZDUSSCGKSA-N 0 0 194.318 3.714 20 30 AHEDRN C=C[C@H](CCCC)OCCC1CC1 ZINC001224761519 764261727 /nfs/dbraw/zinc/26/17/27/764261727.db2.gz PCTYGBGPWWSSDL-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=C[C@@H](CCCC)OCCC1CC1 ZINC001224761520 764263097 /nfs/dbraw/zinc/26/30/97/764263097.db2.gz PCTYGBGPWWSSDL-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCC[C@@H](CC)OCCC1CC1 ZINC001224762198 764262599 /nfs/dbraw/zinc/26/25/99/764262599.db2.gz ULRRELGJQSAOPP-GFCCVEGCSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CCC[C@H](CC)OCCC1CC1 ZINC001224762199 764263591 /nfs/dbraw/zinc/26/35/91/764263591.db2.gz ULRRELGJQSAOPP-LBPRGKRZSA-N 0 0 182.307 3.548 20 30 AHEDRN C=CC[C@@H](C=C)OCC1CC(C)(C)C1 ZINC001224768996 764263183 /nfs/dbraw/zinc/26/31/83/764263183.db2.gz IDWMHXAIICQCTP-GFCCVEGCSA-N 0 0 194.318 3.570 20 30 AHEDRN C=CC[C@H](C=C)OCC1CC(C)(C)C1 ZINC001224768997 764261636 /nfs/dbraw/zinc/26/16/36/764261636.db2.gz IDWMHXAIICQCTP-LBPRGKRZSA-N 0 0 194.318 3.570 20 30 AHEDRN C=C[C@H](CCC)OCC1CC(C)(C)C1 ZINC001224769893 764262373 /nfs/dbraw/zinc/26/23/73/764262373.db2.gz RNSVYNAECFIOFE-GFCCVEGCSA-N 0 0 196.334 3.794 20 30 AHEDRN C=C[C@@H](CCC)OCC1CC(C)(C)C1 ZINC001224769897 764262131 /nfs/dbraw/zinc/26/21/31/764262131.db2.gz RNSVYNAECFIOFE-LBPRGKRZSA-N 0 0 196.334 3.794 20 30 AHEDRN C=CC[C@@H](C=C)OCC1=CCCCC1 ZINC001224999246 764280131 /nfs/dbraw/zinc/28/01/31/764280131.db2.gz VYENNNFJSZVVBF-CYBMUJFWSA-N 0 0 192.302 3.634 20 30 AHEDRN C=CC[C@H](C=C)OCC1=CCCCC1 ZINC001224999247 764281004 /nfs/dbraw/zinc/28/10/04/764281004.db2.gz VYENNNFJSZVVBF-ZDUSSCGKSA-N 0 0 192.302 3.634 20 30 AHEDRN C=CC[C@@H](Oc1ccccc1)C(C)C ZINC001225196094 764293635 /nfs/dbraw/zinc/29/36/35/764293635.db2.gz FRUNJUBBWIWPNK-CYBMUJFWSA-N 0 0 190.286 3.666 20 30 AHEDRN C=CC[C@H](Oc1ccccc1)C(C)C ZINC001225196095 764293017 /nfs/dbraw/zinc/29/30/17/764293017.db2.gz FRUNJUBBWIWPNK-ZDUSSCGKSA-N 0 0 190.286 3.666 20 30 AHEDRN C=CCC[C@@H](CC)Oc1ccccc1 ZINC001225196605 764293328 /nfs/dbraw/zinc/29/33/28/764293328.db2.gz RMYSUYSBZPDBCZ-GFCCVEGCSA-N 0 0 190.286 3.810 20 30 AHEDRN C=CCC[C@H](CC)Oc1ccccc1 ZINC001225196606 764293528 /nfs/dbraw/zinc/29/35/28/764293528.db2.gz RMYSUYSBZPDBCZ-LBPRGKRZSA-N 0 0 190.286 3.810 20 30 AHEDRN C=CC[C@H](CCC)Oc1ccccc1 ZINC001225197183 764293492 /nfs/dbraw/zinc/29/34/92/764293492.db2.gz IBAXUXOIVYPFKR-GFCCVEGCSA-N 0 0 190.286 3.810 20 30 AHEDRN C=CC[C@@H](CCC)Oc1ccccc1 ZINC001225197184 764293346 /nfs/dbraw/zinc/29/33/46/764293346.db2.gz IBAXUXOIVYPFKR-LBPRGKRZSA-N 0 0 190.286 3.810 20 30 AHEDRN C=C[C@H](CC)Oc1cccc(C)c1C ZINC001225220641 764294122 /nfs/dbraw/zinc/29/41/22/764294122.db2.gz VUEJMGHFVYDGQT-GFCCVEGCSA-N 0 0 190.286 3.647 20 30 AHEDRN C=C[C@@H](CC)Oc1cccc(C)c1C ZINC001225220642 764294283 /nfs/dbraw/zinc/29/42/83/764294283.db2.gz VUEJMGHFVYDGQT-LBPRGKRZSA-N 0 0 190.286 3.647 20 30 AHEDRN C=C[C@H](CC)Oc1ccc(C)cc1C ZINC001225222670 764294327 /nfs/dbraw/zinc/29/43/27/764294327.db2.gz GLUPWXRNCQSCQR-GFCCVEGCSA-N 0 0 190.286 3.647 20 30 AHEDRN C=C[C@@H](CC)Oc1ccc(C)cc1C ZINC001225222671 764294678 /nfs/dbraw/zinc/29/46/78/764294678.db2.gz GLUPWXRNCQSCQR-LBPRGKRZSA-N 0 0 190.286 3.647 20 30 AHEDRN C=CC[C@@H](C=C)Oc1cccc(C)c1 ZINC001225241017 764295374 /nfs/dbraw/zinc/29/53/74/764295374.db2.gz GWYXXWIANINWFS-GFCCVEGCSA-N 0 0 188.270 3.505 20 30 AHEDRN C=CC[C@H](C=C)Oc1cccc(C)c1 ZINC001225241018 764295464 /nfs/dbraw/zinc/29/54/64/764295464.db2.gz GWYXXWIANINWFS-LBPRGKRZSA-N 0 0 188.270 3.505 20 30 AHEDRN C=C[C@H](CC)Oc1cc(C)cc(C)c1 ZINC001225242833 764295584 /nfs/dbraw/zinc/29/55/84/764295584.db2.gz BQJIQJXCQNTQRF-GFCCVEGCSA-N 0 0 190.286 3.647 20 30 AHEDRN C=C[C@@H](CC)Oc1cc(C)cc(C)c1 ZINC001225242847 764295431 /nfs/dbraw/zinc/29/54/31/764295431.db2.gz BQJIQJXCQNTQRF-LBPRGKRZSA-N 0 0 190.286 3.647 20 30 AHEDRN C=C[C@@H](C)Oc1ccc2ccccc2c1 ZINC001225268438 764298184 /nfs/dbraw/zinc/29/81/84/764298184.db2.gz YQAKONUMTRWHMK-LLVKDONJSA-N 0 0 198.265 3.793 20 30 AHEDRN C=C[C@H](C)Oc1ccc2ccccc2c1 ZINC001225268439 764296825 /nfs/dbraw/zinc/29/68/25/764296825.db2.gz YQAKONUMTRWHMK-NSHDSACASA-N 0 0 198.265 3.793 20 30 AHEDRN C=C[C@@H](C)Oc1ccc(C)cc1Cl ZINC001225340496 764304959 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QFJSPMLBIHKDNK-GFCCVEGCSA-N 0 0 190.286 3.647 20 30 AHEDRN C=C[C@H](CC)Oc1c(C)cccc1C ZINC001225978443 764333988 /nfs/dbraw/zinc/33/39/88/764333988.db2.gz RDRGEYLICDFRSV-GFCCVEGCSA-N 0 0 190.286 3.647 20 30 AHEDRN C=C[C@@H](CC)Oc1c(C)cccc1C ZINC001225978444 764333470 /nfs/dbraw/zinc/33/34/70/764333470.db2.gz RDRGEYLICDFRSV-LBPRGKRZSA-N 0 0 190.286 3.647 20 30 AHEDRN C=C[C@@H](C)Oc1c(C)cccc1Cl ZINC001226389479 764348278 /nfs/dbraw/zinc/34/82/78/764348278.db2.gz BMRSFHDISAEDBQ-SECBINFHSA-N 0 0 196.677 3.602 20 30 AHEDRN C=C[C@H](C)Oc1c(C)cccc1Cl ZINC001226389484 764348420 /nfs/dbraw/zinc/34/84/20/764348420.db2.gz BMRSFHDISAEDBQ-VIFPVBQESA-N 0 0 196.677 3.602 20 30 AHEDRN C=C[C@@H](C)Oc1ccc(CCC)cc1 ZINC001227182888 764418937 /nfs/dbraw/zinc/41/89/37/764418937.db2.gz RUMAVWUWPAIFNJ-LLVKDONJSA-N 0 0 190.286 3.592 20 30 AHEDRN C=C[C@H](C)Oc1ccc(CCC)cc1 ZINC001227182889 764417772 /nfs/dbraw/zinc/41/77/72/764417772.db2.gz RUMAVWUWPAIFNJ-NSHDSACASA-N 0 0 190.286 3.592 20 30 AHEDRN C=C[C@@H](C)Oc1cc(C)cc(C)c1C ZINC001227510350 764433457 /nfs/dbraw/zinc/43/34/57/764433457.db2.gz SUNVERSKXOKAQH-LLVKDONJSA-N 0 0 190.286 3.565 20 30 AHEDRN C=C[C@H](C)Oc1cc(C)cc(C)c1C ZINC001227510351 764432143 /nfs/dbraw/zinc/43/21/43/764432143.db2.gz SUNVERSKXOKAQH-NSHDSACASA-N 0 0 190.286 3.565 20 30 AHEDRN C=C[C@H](CC)Oc1ccccc1CC ZINC001227681600 764436274 /nfs/dbraw/zinc/43/62/74/764436274.db2.gz LUMNBDXGJHHTBY-GFCCVEGCSA-N 0 0 190.286 3.592 20 30 AHEDRN C=C[C@@H](CC)Oc1ccccc1CC ZINC001227681601 764438415 /nfs/dbraw/zinc/43/84/15/764438415.db2.gz LUMNBDXGJHHTBY-LBPRGKRZSA-N 0 0 190.286 3.592 20 30 AHEDRN C=C[C@@H](C)Oc1cc(C)cc(Cl)c1 ZINC001227984366 764445986 /nfs/dbraw/zinc/44/59/86/764445986.db2.gz KJAUCWWXOZYNOS-SECBINFHSA-N 0 0 196.677 3.602 20 30 AHEDRN C=C[C@H](C)Oc1cc(C)cc(Cl)c1 ZINC001227984367 764446976 /nfs/dbraw/zinc/44/69/76/764446976.db2.gz KJAUCWWXOZYNOS-VIFPVBQESA-N 0 0 196.677 3.602 20 30 AHEDRN C=C[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC001228068507 764449355 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