smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC2 ZINC000001734329 560184665 /nfs/dbraw/zinc/18/46/65/560184665.db2.gz MLBYBBUZURKHAW-DFQSSKMNSA-N -1 0 302.458 5.350 1 0 in-vitro DKAFRM CC(/C=C/C=C(C)/C=C1\CCCC(C)=C1C(C)C)=C\C(=O)[O-] ZINC000003809578 181046237 /nfs/dbraw/zinc/04/62/37/181046237.db2.gz BYHSFJNWVLBCIM-YTYRTVNFSA-N -1 0 300.442 5.603 1 0 DKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C(=O)[O-])CCC[C@@]21C ZINC000003974545 181059850 /nfs/dbraw/zinc/05/98/50/181059850.db2.gz FVZJAPUDDDBSCR-VGRPZWAUSA-N -1 0 306.490 5.676 1 0 DKAFRM O=C([O-])[C@H]1[C@H]2CCCCC2=C2CCCC[C@H]2[C@@H]1c1ccccc1 ZINC000004005859 181061560 /nfs/dbraw/zinc/06/15/60/181061560.db2.gz XYVBIIPPBRNKCC-FYQPLNBISA-N -1 0 310.437 5.162 1 0 DKAFRM O=C([O-])[C@H]1[C@H]2CCCCC2=C2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000004005860 181061217 /nfs/dbraw/zinc/06/12/17/181061217.db2.gz XYVBIIPPBRNKCC-MUGJNUQGSA-N -1 0 310.437 5.162 1 0 DKAFRM O=C([O-])[C@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000004005862 181061257 /nfs/dbraw/zinc/06/12/57/181061257.db2.gz XYVBIIPPBRNKCC-YRPNKDGESA-N -1 0 310.437 5.162 1 0 DKAFRM CCCCC[C@H]1O[C@H]1C/C=C/C/C=C/C/C=C/CCCC(=O)[O-] ZINC000004544326 256517307 /nfs/dbraw/zinc/51/73/07/256517307.db2.gz JBSCUHKPLGKXKH-FQOFBZQNSA-N -1 0 320.473 5.428 1 0 DKAFRM CCCCC[C@@H]1O[C@H]1C/C=C/C/C=C/C/C=C/CCCC(=O)[O-] ZINC000004544328 256517294 /nfs/dbraw/zinc/51/72/94/256517294.db2.gz JBSCUHKPLGKXKH-JXGIOMRLSA-N -1 0 320.473 5.428 1 0 DKAFRM CC[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004654965 571688056 /nfs/dbraw/zinc/68/80/56/571688056.db2.gz GPQVVJQEBXAKBJ-BUPWRZTKSA-N -1 0 318.457 5.204 1 0 endogenous,in-man DKAFRM CC[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000004654966 571687692 /nfs/dbraw/zinc/68/76/92/571687692.db2.gz GPQVVJQEBXAKBJ-VXNZHGHESA-N -1 0 318.457 5.204 1 0 endogenous,in-man DKAFRM C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)[O-] ZINC000004847219 181162677 /nfs/dbraw/zinc/16/26/77/181162677.db2.gz QKEGEQNDBABUIT-SKTNYSRSSA-N -1 0 315.251 5.069 1 0 DKAFRM CC(C)[C@H]1CCC2=C(CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000005104561 181203936 /nfs/dbraw/zinc/20/39/36/181203936.db2.gz OEILFLGOGZTONZ-XFHUWUJUSA-N -1 0 304.474 5.430 1 0 DKAFRM CC(C)[C@@H]1CCC2=C(CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1 ZINC000005104562 181203715 /nfs/dbraw/zinc/20/37/15/181203715.db2.gz OEILFLGOGZTONZ-IXMYUCAJSA-N -1 0 304.474 5.430 1 0 DKAFRM C/C(=C/C(=O)[O-])CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000005758646 181281582 /nfs/dbraw/zinc/28/15/82/181281582.db2.gz WDWBNNBRPVEEOD-UMSXXIAASA-N -1 0 310.522 6.456 1 0 DKAFRM CC1=C(/C=C/c2ccc3cc(C(=O)[O-])ccc3c2)C(C)(C)CCC1 ZINC000005766319 181282095 /nfs/dbraw/zinc/28/20/95/181282095.db2.gz RCHMLZNVEBARAC-YRNVUSSQSA-N -1 0 320.432 6.078 1 0 DKAFRM CC[C@@H](O)CCCCCCCCCCCCCCC(=O)[O-] ZINC000005813313 181285890 /nfs/dbraw/zinc/28/58/90/181285890.db2.gz IZAIPALZJVSRHT-QGZVFWFLSA-N -1 0 300.483 5.303 1 0 DKAFRM CCCCC/C=C/C/C=C/CCCC/C=C\CCCC(=O)[O-] ZINC000005819976 571690290 /nfs/dbraw/zinc/69/02/90/571690290.db2.gz PRHHYVQTPBEDFE-VOXUQRCTSA-N -1 0 306.490 6.441 1 0 endogenous,in-man DKAFRM C/C1=C\C=C(\C(C)C)CC/C(C(=O)[O-])=C\CC/C(C)=C\CC1 ZINC000005831570 181287637 /nfs/dbraw/zinc/28/76/37/181287637.db2.gz PJVZQWKLUCVIQA-ALIMPMCOSA-N -1 0 302.458 5.827 1 0 DKAFRM C[C@@H]1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)[O-] ZINC000005839405 181288421 /nfs/dbraw/zinc/28/84/21/181288421.db2.gz GAAVYSXXNLFKBR-NUFBDVPRSA-N -1 0 316.441 5.242 1 0 DKAFRM CC[C@H](O)CCCCCCCCCCCCCCC(=O)[O-] ZINC000006001875 181304753 /nfs/dbraw/zinc/30/47/53/181304753.db2.gz IZAIPALZJVSRHT-KRWDZBQOSA-N -1 0 300.483 5.303 1 0 DKAFRM C[C@H]1CC[C@]2(C)C(C(=O)[O-])=CCC[C@H]2[C@]1(C)CCc1ccoc1 ZINC000006037777 181307449 /nfs/dbraw/zinc/30/74/49/181307449.db2.gz HHWOKJDCJVESIF-GIPAHHNCSA-N -1 0 316.441 5.076 1 0 biogenic,in-vitro DKAFRM CC(/C=C/c1ccc(C2=C(C)CCCC2(C)C)cc1C)=C\C(=O)[O-] ZINC000006070036 181310610 /nfs/dbraw/zinc/31/06/10/181310610.db2.gz AQWSEIKMQSDKCG-XWMBBDDHSA-N -1 0 324.464 6.023 1 0 DKAFRM C[C@@H]1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C/C=C\1C(=O)[O-] ZINC000006487690 181345100 /nfs/dbraw/zinc/34/51/00/181345100.db2.gz GAAVYSXXNLFKBR-CPKZDWLXSA-N -1 0 316.441 5.242 1 0 DKAFRM S=C1C[C@@H](c2ccccc2)Sc2ccc(Cl)cc2[N-]1 ZINC000006575620 181356283 /nfs/dbraw/zinc/35/62/83/181356283.db2.gz WYMZGMUKKHWDQH-AWEZNQCLSA-N -1 0 305.855 5.316 1 0 DKAFRM S=C1C[C@@H](c2ccccc2)Sc2cc(Cl)ccc2[N-]1 ZINC000006575621 181356330 /nfs/dbraw/zinc/35/63/30/181356330.db2.gz XQEPBFCWLOZDIO-ZDUSSCGKSA-N -1 0 305.855 5.316 1 0 DKAFRM S=C1C[C@H](c2ccccc2)Sc2ccc(Cl)cc2[N-]1 ZINC000006575745 181355976 /nfs/dbraw/zinc/35/59/76/181355976.db2.gz WYMZGMUKKHWDQH-CQSZACIVSA-N -1 0 305.855 5.316 1 0 DKAFRM S=C1C[C@H](c2ccccc2)Sc2cc(Cl)ccc2[N-]1 ZINC000006575746 181356572 /nfs/dbraw/zinc/35/65/72/181356572.db2.gz XQEPBFCWLOZDIO-CYBMUJFWSA-N -1 0 305.855 5.316 1 0 DKAFRM S=C1C[C@H](c2ccc(Cl)cc2)Sc2ccccc2[N-]1 ZINC000006576144 181356472 /nfs/dbraw/zinc/35/64/72/181356472.db2.gz MLOAYIRCJLFUPW-CQSZACIVSA-N -1 0 305.855 5.316 1 0 DKAFRM S=C1C[C@@H](c2ccc(Cl)cc2)Sc2ccccc2[N-]1 ZINC000006576146 181356564 /nfs/dbraw/zinc/35/65/64/181356564.db2.gz MLOAYIRCJLFUPW-AWEZNQCLSA-N -1 0 305.855 5.316 1 0 DKAFRM CC/C=C/C/C=C/C/C=C/C/C=C/CCCCCCC(=O)[O-] ZINC000012495576 257133536 /nfs/dbraw/zinc/13/35/36/257133536.db2.gz HQPCSDADVLFHHO-GFRMADBLSA-N -1 0 304.474 6.217 1 0 in-vivo DKAFRM CCCCC/C=C\C=C/[C@H](O)C/C=C\C/C=C/CCCC(=O)[O-] ZINC000012496381 571695342 /nfs/dbraw/zinc/69/53/42/571695342.db2.gz GCZRCCHPLVMMJE-RSPKXIRXSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM CCCCC/C=C\C[C@@H](O)/C=C\C=C/C/C=C/CCCC(=O)[O-] ZINC000012496734 571695409 /nfs/dbraw/zinc/69/54/09/571695409.db2.gz ZNHVWPKMFKADKW-XCQNROMHSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM CCCCC/C=C\C[C@H](O)/C=C\C=C/C/C=C/CCCC(=O)[O-] ZINC000012496745 571695438 /nfs/dbraw/zinc/69/54/38/571695438.db2.gz ZNHVWPKMFKADKW-JKNRQTOGSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM C/C(=C\C(=O)[O-])CC[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)CC[C@@H]1C ZINC000013401794 290941498 /nfs/dbraw/zinc/94/14/98/290941498.db2.gz NLVMTSRTOGOFQD-SMNKCIGXSA-N -1 0 304.474 5.596 1 0 biogenic,in-vitro DKAFRM CC(C)=CCC/C(C)=C/Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000013405862 560216400 /nfs/dbraw/zinc/21/64/00/560216400.db2.gz UEUMAXMCCDEOIJ-XYOKQWHBSA-N -1 0 322.832 5.107 1 0 in-vitro DKAFRM CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000013507096 181856764 /nfs/dbraw/zinc/85/67/64/181856764.db2.gz YZXBAPSDXZZRGB-QGDKPUJISA-N -1 0 304.474 6.217 1 0 DKAFRM CCCCC/C=C\C/C=C/C/C=C\CCCCCCC(=O)[O-] ZINC000013507101 181856913 /nfs/dbraw/zinc/85/69/13/181856913.db2.gz HOBAELRKJCKHQD-XQYVMNDBSA-N -1 0 306.490 6.441 1 0 DKAFRM CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000013507113 181856576 /nfs/dbraw/zinc/85/65/76/181856576.db2.gz JAZBEHYOTPTENJ-BJOJJUPNSA-N -1 0 302.458 5.993 1 0 DKAFRM CCCCC/C=C\C[C@H]1O[C@H]1C/C=C\CCCCCCC(=O)[O-] ZINC000013587447 181865853 /nfs/dbraw/zinc/86/58/53/181865853.db2.gz GAFYYPFDPNGWII-AAEXCJFBSA-N -1 0 322.489 5.652 1 0 DKAFRM CCCCC/C=C\C[C@@H]1O[C@@H]1CCCC/C=C\CCCC(=O)[O-] ZINC000013587448 181865595 /nfs/dbraw/zinc/86/55/95/181865595.db2.gz XMDHNBDDIRPZNI-ZUGGFNEUSA-N -1 0 322.489 5.652 1 0 DKAFRM CCCCC/C=C\C[C@H]1O[C@@H]1CCCC/C=C\CCCC(=O)[O-] ZINC000013587449 181865741 /nfs/dbraw/zinc/86/57/41/181865741.db2.gz XMDHNBDDIRPZNI-BSWGLQNLSA-N -1 0 322.489 5.652 1 0 DKAFRM CCCCC/C=C\C[C@H]1O[C@@H]1CCCCCCCCCC(=O)[O-] ZINC000013587453 181865565 /nfs/dbraw/zinc/86/55/65/181865565.db2.gz DTMJFRNHKXMKBD-HHPZPRIESA-N -1 0 324.505 5.876 1 0 DKAFRM O=C([O-])CCCCCCCC1c2ccccc2-c2ccccc21 ZINC000013741270 181887309 /nfs/dbraw/zinc/88/73/09/181887309.db2.gz ISQLGHMAQYZDSM-UHFFFAOYSA-N -1 0 308.421 5.614 1 0 DKAFRM CCC1=C(C(C)C)/C(=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])CCC1 ZINC000013741828 181887357 /nfs/dbraw/zinc/88/73/57/181887357.db2.gz OZUIXDDSOLQKNK-WXVUQSRRSA-N -1 0 314.469 5.993 1 0 DKAFRM CCCCCC1(C(=O)Nc2ccccc2[S-])CCCCC1 ZINC000013813321 181900391 /nfs/dbraw/zinc/90/03/91/181900391.db2.gz JUPWIWFSEBMYBY-UHFFFAOYSA-N -1 0 305.487 5.445 1 0 DKAFRM C/C(=C\c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)[C@H]1CC[C@@H]2C1 ZINC000013832721 181905337 /nfs/dbraw/zinc/90/53/37/181905337.db2.gz DROVYJMNJGWKQD-ZQICTRMJSA-N -1 0 304.389 5.310 1 0 DKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C/c1ccc(C(=O)[O-])cc1 ZINC000013832725 181905350 /nfs/dbraw/zinc/90/53/50/181905350.db2.gz NNTWECUMTLRLCK-RQHVUCQOSA-N -1 0 310.437 5.871 1 0 DKAFRM C/C(=C/c1ccc(C(=O)[O-])cc1)CCC1=C(C)CCCC1(C)C ZINC000013832726 181905377 /nfs/dbraw/zinc/90/53/77/181905377.db2.gz BTFYSNDGWSYEGA-PFONDFGASA-N -1 0 312.453 6.095 1 0 DKAFRM CC(/C=C/C=C(C)\C=C1/CC[C@@H](C)c2ccccc21)=C\C(=O)[O-] ZINC000013985510 190639250 /nfs/dbraw/zinc/63/92/50/190639250.db2.gz IUAWGSHMQSZQSY-ARGJGUSHSA-N -1 0 308.421 5.501 1 0 DKAFRM CC(C)C1=CC[C@H]2C(=C1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C ZINC000014410298 181950953 /nfs/dbraw/zinc/95/09/53/181950953.db2.gz RWWVEQKPFPXLGL-KVPLUYHFSA-N -1 0 302.458 5.206 1 0 DKAFRM CC(C)c1cc(O)c2c(c1)C(=O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000014442337 560221473 /nfs/dbraw/zinc/22/14/73/560221473.db2.gz LKYPROMZJWLFHC-PXNSSMCTSA-N -1 0 300.442 5.186 1 0 biogenic,in-vitro DKAFRM CCCCC/C=C\[C@@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000014449823 571708011 /nfs/dbraw/zinc/70/80/11/571708011.db2.gz SAKQICHVWOJSNI-PRVIWIHFSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM CCCCC/C=C\[C@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000014449825 571708132 /nfs/dbraw/zinc/70/81/32/571708132.db2.gz SAKQICHVWOJSNI-ABTNKUQXSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM C[C@@H](O)CCCCCCCCCCCCCCCC(=O)[O-] ZINC000014494621 560221927 /nfs/dbraw/zinc/22/19/27/560221927.db2.gz CKGPXFKOAGKQDN-QGZVFWFLSA-N -1 0 300.483 5.303 1 0 in-vitro DKAFRM CCCCCC(=O)CC/C=C/CCCCCCCCCC(=O)[O-] ZINC000014619284 571716776 /nfs/dbraw/zinc/71/67/76/571716776.db2.gz BMSUKKKAAVHUEW-PKNBQFBNSA-N -1 0 324.505 6.068 1 0 endogenous,in-man DKAFRM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)(C)C(=O)[O-] ZINC000014649212 571717319 /nfs/dbraw/zinc/71/73/19/571717319.db2.gz FDHVMORBQIKTOA-QZTJIDSGSA-N -1 0 312.538 6.536 1 0 endogenous,in-man DKAFRM CC(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)C(=O)[O-] ZINC000014649214 571717442 /nfs/dbraw/zinc/71/74/42/571717442.db2.gz FDHVMORBQIKTOA-ZWKOTPCHSA-N -1 0 312.538 6.536 1 0 endogenous,in-man DKAFRM CC(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)(C)C(=O)[O-] ZINC000014649216 571717427 /nfs/dbraw/zinc/71/74/27/571717427.db2.gz FDHVMORBQIKTOA-MSOLQXFVSA-N -1 0 312.538 6.536 1 0 endogenous,in-man DKAFRM CC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)(C)C(=O)[O-] ZINC000014649218 571717312 /nfs/dbraw/zinc/71/73/12/571717312.db2.gz FDHVMORBQIKTOA-ROUUACIJSA-N -1 0 312.538 6.536 1 0 endogenous,in-man DKAFRM C/C1=C\C[C@]2(C)CC=C(C(C)C)[C@H]2CC/C(C(=O)[O-])=C/CC1 ZINC000015146890 560228754 /nfs/dbraw/zinc/22/87/54/560228754.db2.gz YQRHFPSCUBKRIZ-RJHYLEMXSA-N -1 0 302.458 5.516 1 0 biogenic,in-vitro DKAFRM CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000015159794 181990924 /nfs/dbraw/zinc/99/09/24/181990924.db2.gz DXOYQVHGIODESM-IPSNPUGCSA-N -1 0 320.473 5.428 1 0 DKAFRM CCCCC/C=C/C[C@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000015159795 181990694 /nfs/dbraw/zinc/99/06/94/181990694.db2.gz DXOYQVHGIODESM-ILJLCKJHSA-N -1 0 320.473 5.428 1 0 DKAFRM CCCCC/C=C/C[C@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)[O-] ZINC000015159797 181991068 /nfs/dbraw/zinc/99/10/68/181991068.db2.gz DXOYQVHGIODESM-DSCGWZKLSA-N -1 0 320.473 5.428 1 0 DKAFRM C[C@@H]1CCC2=C(CCC[C@@]2(C)C(=O)[O-])[C@@]1(C)CCc1ccoc1 ZINC000015161034 560229020 /nfs/dbraw/zinc/22/90/20/560229020.db2.gz QSCGVVYGWUHJIU-VOBQZIQPSA-N -1 0 316.441 5.220 1 0 biogenic,in-vitro DKAFRM C[C@@H]1CCC2=C(CCC[C@]2(C)C(=O)[O-])[C@@]1(C)CCc1ccoc1 ZINC000015161036 181991059 /nfs/dbraw/zinc/99/10/59/181991059.db2.gz QSCGVVYGWUHJIU-UAOJZALGSA-N -1 0 316.441 5.220 1 0 DKAFRM CC/C=C/[C@@H](CC)C[C@@H](C)Cc1cc(CC)c(CC(=O)[O-])o1 ZINC000015257485 181993944 /nfs/dbraw/zinc/99/39/44/181993944.db2.gz ZJJCMPYAGFHWKG-VMFRVMOISA-N -1 0 306.446 5.030 1 0 DKAFRM CC/C=C/[C@H](CC)C[C@@H](C)Cc1cc(CC)c(CC(=O)[O-])o1 ZINC000015257488 181993939 /nfs/dbraw/zinc/99/39/39/181993939.db2.gz ZJJCMPYAGFHWKG-PQAPVRDISA-N -1 0 306.446 5.030 1 0 DKAFRM CC/C=C/[C@@H](CC)C[C@H](C)Cc1cc(CC)c(CC(=O)[O-])o1 ZINC000015257491 181993993 /nfs/dbraw/zinc/99/39/93/181993993.db2.gz ZJJCMPYAGFHWKG-MATWNZDUSA-N -1 0 306.446 5.030 1 0 DKAFRM C/C(=C\c1ccc(C(=O)[O-])cc1)c1ccc2ccc(C)c(C)c2c1 ZINC000026386555 182439309 /nfs/dbraw/zinc/43/93/09/182439309.db2.gz WUGPNGRNUZZYGY-NTCAYCPXSA-N -1 0 316.400 5.715 1 0 DKAFRM CC(/C=C/[C@@H]1C[C@@H]1/C=C/C1=CC(C)(C)CCC1(C)C)=C\C(=O)[O-] ZINC000026389792 182439557 /nfs/dbraw/zinc/43/95/57/182439557.db2.gz GEYVGEVTMFGWIC-VAIQWFLVSA-N -1 0 314.469 5.538 1 0 DKAFRM CC(/C=C/[C@H]1C[C@@H]1/C=C/C1=CC(C)(C)CCC1(C)C)=C/C(=O)[O-] ZINC000026390258 182440124 /nfs/dbraw/zinc/44/01/24/182440124.db2.gz GEYVGEVTMFGWIC-YGRLZLFJSA-N -1 0 314.469 5.538 1 0 DKAFRM CC(/C=C/[C@H]1C[C@H]1/C=C/C1=CC(C)(C)CCC1(C)C)=C/C(=O)[O-] ZINC000026390266 182439989 /nfs/dbraw/zinc/43/99/89/182439989.db2.gz GEYVGEVTMFGWIC-AEKKGKSCSA-N -1 0 314.469 5.538 1 0 DKAFRM C/C(=C/c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)[C@@H]1CC[C@H]2C1 ZINC000026576599 182446674 /nfs/dbraw/zinc/44/66/74/182446674.db2.gz DROVYJMNJGWKQD-DDABTOOBSA-N -1 0 304.389 5.310 1 0 DKAFRM CCCCC[C@H](O)/C=C/C=C/CCCCCCCCC(=O)[O-] ZINC000026578689 182447306 /nfs/dbraw/zinc/44/73/06/182447306.db2.gz JHFOVTLNYHMZSE-LLZNNCCBSA-N -1 0 310.478 5.245 1 0 DKAFRM CCCCC/C=C\C[C@H](O)CC/C=C\C/C=C\CCCC(=O)[O-] ZINC000026649230 182448223 /nfs/dbraw/zinc/44/82/23/182448223.db2.gz RFAKHEWADWLSJX-ZIQRGBBDSA-N -1 0 322.489 5.412 1 0 DKAFRM CC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000027638889 571740819 /nfs/dbraw/zinc/74/08/19/571740819.db2.gz RGZIXZYRGZWDMI-UAGGVQAVSA-N -1 0 318.457 5.204 1 0 endogenous,in-man DKAFRM CC/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000027638896 571740728 /nfs/dbraw/zinc/74/07/28/571740728.db2.gz RGZIXZYRGZWDMI-YYXNPAPNSA-N -1 0 318.457 5.204 1 0 endogenous,in-man DKAFRM CC/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ZINC000027638901 182483965 /nfs/dbraw/zinc/48/39/65/182483965.db2.gz RGZIXZYRGZWDMI-ZTHYFZTDSA-N -1 0 318.457 5.204 1 0 endogenous,in-man DKAFRM CC[C@@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@@]23C)C1 ZINC000027640922 182483705 /nfs/dbraw/zinc/48/37/05/182483705.db2.gz IFKGALZTVMPCIH-YANNOABASA-N -1 0 304.474 5.430 1 0 DKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H](CC(=O)[O-])CCC[C@]12C ZINC000027705341 182488343 /nfs/dbraw/zinc/48/83/43/182488343.db2.gz KMRBELHGNXVDRO-KWXDATOUSA-N -1 0 308.506 5.756 1 0 DKAFRM CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)[O-] ZINC000028539516 182527831 /nfs/dbraw/zinc/52/78/31/182527831.db2.gz FEENGIUGOPKQTF-JWWIWJDOSA-N -1 0 306.490 5.676 1 0 DKAFRM CCCCC[C@@H]1S[C@H]1C/C=C/CCCCCCCC(=O)[O-] ZINC000028770356 182538481 /nfs/dbraw/zinc/53/84/81/182538481.db2.gz ISTUPYGVVTUHMK-BAMWUGHESA-N -1 0 312.519 5.812 1 0 DKAFRM CCCCC/C=C/C[C@@H]1S[C@H]1CCCCCCCC(=O)[O-] ZINC000028770973 182538603 /nfs/dbraw/zinc/53/86/03/182538603.db2.gz PRVGLLXLXIWUKA-RRUDCUFVSA-N -1 0 312.519 5.812 1 0 DKAFRM O=C([O-])c1c(O)cccc1CC1CCCCCCCCCCC1 ZINC000028861925 182541277 /nfs/dbraw/zinc/54/12/77/182541277.db2.gz PKMPLOZPZQGKHJ-UHFFFAOYSA-N -1 0 318.457 5.554 1 0 DKAFRM C/C(=C\C(=O)[O-])c1ccc(/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000029312945 182559940 /nfs/dbraw/zinc/55/99/40/182559940.db2.gz VACAOQNELPFJTE-KDKDSYKCSA-N -1 0 310.437 5.714 1 0 DKAFRM C/C(=C\c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)[C@@H]1CC[C@H]2C1 ZINC000029324708 182560333 /nfs/dbraw/zinc/56/03/33/182560333.db2.gz DROVYJMNJGWKQD-WOKGBUJHSA-N -1 0 304.389 5.310 1 0 DKAFRM O=C([O-])c1ccc(-c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000029392501 182563664 /nfs/dbraw/zinc/56/36/64/182563664.db2.gz HCEXRUCTHRGZBP-UHFFFAOYSA-N -1 0 313.356 5.200 1 0 DKAFRM O=C([O-])[C@H]1CC=C(c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000029400686 182564535 /nfs/dbraw/zinc/56/45/35/182564535.db2.gz QBMYPCNRKJVKMF-INIZCTEOSA-N -1 0 317.388 5.103 1 0 DKAFRM C/C1=C\CC/C(C)=C\C=C(\C(C)C)CC/C(C(=O)[O-])=C/CC1 ZINC000031905201 182629073 /nfs/dbraw/zinc/62/90/73/182629073.db2.gz PJVZQWKLUCVIQA-LKDFXMIWSA-N -1 0 302.458 5.827 1 0 DKAFRM CC/C=C\CCCCCCCCCCCCCCCC(=O)[O-] ZINC000033820285 182722826 /nfs/dbraw/zinc/72/28/26/182722826.db2.gz ZOKDQRULUYMUFA-ARJAWSKDSA-N -1 0 310.522 6.889 1 0 DKAFRM CCCCC/C=C\C/C=C\C[C@H](O)/C=C\C=C\CCCC(=O)[O-] ZINC000033822371 574414115 /nfs/dbraw/zinc/41/41/15/574414115.db2.gz KATOYYZUTNAWSA-VTGCQKGGSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM CCCCC/C=C\C/C=C\C[C@@H](O)/C=C\C=C\CCCC(=O)[O-] ZINC000033822372 574414105 /nfs/dbraw/zinc/41/41/05/574414105.db2.gz KATOYYZUTNAWSA-JNIQGBGXSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM C=C/C(C)=C/C[C@H]1C(C(=O)[O-])=CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000033832216 560088396 /nfs/dbraw/zinc/08/83/96/560088396.db2.gz OYARUPGUBJDJCZ-LAQCAZNSSA-N -1 0 302.458 5.372 1 0 biogenic,in-vitro DKAFRM CCCCC/C=C/C/C=C/C/C=C/C[C@H]1O[C@H]1CCCC(=O)[O-] ZINC000033838795 257129801 /nfs/dbraw/zinc/12/98/01/257129801.db2.gz VBQNSZQZRAGRIX-XWJXUNAMSA-N -1 0 320.473 5.428 1 0 in-vitro DKAFRM CCCCC/C=C/C/C=C/C/C=C/C[C@@H]1O[C@H]1CCCC(=O)[O-] ZINC000033838796 257130013 /nfs/dbraw/zinc/13/00/13/257130013.db2.gz VBQNSZQZRAGRIX-ZEUFVYBQSA-N -1 0 320.473 5.428 1 0 in-vitro DKAFRM CCCCC/C=C/C/C=C/C/C=C/C[C@H]1O[C@@H]1CCCC(=O)[O-] ZINC000033838797 257129387 /nfs/dbraw/zinc/12/93/87/257129387.db2.gz VBQNSZQZRAGRIX-ZFUDPFKYSA-N -1 0 320.473 5.428 1 0 in-vitro DKAFRM CCCCC/C=C/C/C=C/C/C=C/C[C@@H]1O[C@@H]1CCCC(=O)[O-] ZINC000033838798 257129523 /nfs/dbraw/zinc/12/95/23/257129523.db2.gz VBQNSZQZRAGRIX-BUSOZCJTSA-N -1 0 320.473 5.428 1 0 in-vitro DKAFRM CCCCC/C=C/CCCCCCCCCCCCC(=O)[O-] ZINC000034307660 257129809 /nfs/dbraw/zinc/12/98/09/257129809.db2.gz RMUJWENALAQPCS-VOTSOKGWSA-N -1 0 310.522 6.889 1 0 DKAFRM CCCCC/C=C\C/C=C\[C@@H](O)/C=C\C/C=C\CCCC(=O)[O-] ZINC000034403408 571751886 /nfs/dbraw/zinc/75/18/86/571751886.db2.gz ZUOCVLADVGGUGH-FMWLLSINSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM Cc1c2cc(C(=O)[O-])ccc2n(C2CCCCC2)c1-c1ccoc1 ZINC000035013265 182747518 /nfs/dbraw/zinc/74/75/18/182747518.db2.gz XJFQNIWFGNODNT-UHFFFAOYSA-N -1 0 323.392 5.413 1 0 DKAFRM CCC1=C(C(C)C)/C(=C/C(C)=C/C=C\C(C)=C/C(=O)[O-])CCC1 ZINC000037865769 182933764 /nfs/dbraw/zinc/93/37/64/182933764.db2.gz OZUIXDDSOLQKNK-VSZHMVACSA-N -1 0 314.469 5.993 1 0 DKAFRM C[C@@]12C=C[C@]3(C1)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3CC2 ZINC000038538431 183001765 /nfs/dbraw/zinc/00/17/65/183001765.db2.gz MVCPPAWXGSLXQJ-VQSWZGCSSA-N -1 0 302.458 5.040 1 0 biogenic DKAFRM CC1=CC[C@]2(C)CC[C@]3(C(=O)[O-])[C@@H](C(C)C)CC[C@H]3[C@@H]2C=C1 ZINC000039085913 183014264 /nfs/dbraw/zinc/01/42/64/183014264.db2.gz VLUGUFKIJBWGCW-QQBOBMDFSA-N -1 0 302.458 5.062 1 0 biogenic,in-vitro DKAFRM CCCCC/C=C/C[C@H]1O[C@H]1C/C=C\C/C=C/CCCC(=O)[O-] ZINC000040165300 571759786 /nfs/dbraw/zinc/75/97/86/571759786.db2.gz DXOYQVHGIODESM-XQSSESMMSA-N -1 0 320.473 5.428 1 0 endogenous,in-man DKAFRM CCCCC/C=C/C[C@@H]1O[C@H]1C/C=C\C/C=C/CCCC(=O)[O-] ZINC000040165301 571759768 /nfs/dbraw/zinc/75/97/68/571759768.db2.gz DXOYQVHGIODESM-WMFYPDBASA-N -1 0 320.473 5.428 1 0 endogenous,in-man DKAFRM CCCCC/C=C/C[C@H]1O[C@@H]1C/C=C\C/C=C/CCCC(=O)[O-] ZINC000040165302 571759858 /nfs/dbraw/zinc/75/98/58/571759858.db2.gz DXOYQVHGIODESM-REPBVNJUSA-N -1 0 320.473 5.428 1 0 endogenous,in-man DKAFRM CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C\C/C=C/CCCC(=O)[O-] ZINC000040165303 183042662 /nfs/dbraw/zinc/04/26/62/183042662.db2.gz DXOYQVHGIODESM-ZUOSOCEDSA-N -1 0 320.473 5.428 1 0 endogenous,in-man DKAFRM CC/C=C/C/C=C/C/C=C/C/C=C/CCSCCCC(=O)[O-] ZINC000040380749 183058609 /nfs/dbraw/zinc/05/86/09/183058609.db2.gz JUGSAWFPXQSLMJ-GFRMADBLSA-N -1 0 322.514 5.780 1 0 DKAFRM CC/C=C\C/C=C\C/C=C\CC/C=C/CSCCCC(=O)[O-] ZINC000040392562 183059954 /nfs/dbraw/zinc/05/99/54/183059954.db2.gz PFXIXAVMUKVROB-TWMAVKMASA-N -1 0 322.514 5.780 1 0 DKAFRM CC/C=C/C/C=C/C/C=C/C/C=C/CC/C=C/COCC(=O)[O-] ZINC000040392830 183059903 /nfs/dbraw/zinc/05/99/03/183059903.db2.gz HYRVVXJWCJCBMU-MAJXKCEQSA-N -1 0 318.457 5.229 1 0 DKAFRM CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@@]2(CCc1ccco1)C(=O)[O-] ZINC000040872281 183145310 /nfs/dbraw/zinc/14/53/10/183145310.db2.gz PAVRXEDJHZDOJE-DJABAAGCSA-N -1 0 316.441 5.076 1 0 DKAFRM O=C([O-])/C=C(\CCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000042920222 183318577 /nfs/dbraw/zinc/31/85/77/183318577.db2.gz VPKALQUQOVRSNM-GXDHUFHOSA-N -1 0 321.203 5.094 1 0 DKAFRM O=C([O-])/C=C(/CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000042965812 183324166 /nfs/dbraw/zinc/32/41/66/183324166.db2.gz XGBWBJDXCQENJD-KAMYIIQDSA-N -1 0 321.203 5.094 1 0 DKAFRM O=C([O-])/C=C(\CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000043012011 183327759 /nfs/dbraw/zinc/32/77/59/183327759.db2.gz XGBWBJDXCQENJD-SDNWHVSQSA-N -1 0 321.203 5.094 1 0 DKAFRM O=C([O-])/C=C(/CCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000043012014 183328035 /nfs/dbraw/zinc/32/80/35/183328035.db2.gz VPKALQUQOVRSNM-UVTDQMKNSA-N -1 0 321.203 5.094 1 0 DKAFRM O=C([O-])/C=C(\c1cc2cc(Cl)ccc2s1)c1ccccc1 ZINC000043022317 183329690 /nfs/dbraw/zinc/32/96/90/183329690.db2.gz RVVBNCURLQSVHF-UVTDQMKNSA-N -1 0 314.793 5.071 1 0 DKAFRM O=C([O-])/C=C(/c1cc2cc(Cl)ccc2s1)c1ccccc1 ZINC000043025424 183331117 /nfs/dbraw/zinc/33/11/17/183331117.db2.gz RVVBNCURLQSVHF-GXDHUFHOSA-N -1 0 314.793 5.071 1 0 DKAFRM Cc1ccc(-c2ccc3occ(-c4ccc(C(=O)[O-])cc4)c3c2)o1 ZINC000045283423 183493872 /nfs/dbraw/zinc/49/38/72/183493872.db2.gz HTETYXGBZGVYRM-UHFFFAOYSA-N -1 0 318.328 5.366 1 0 DKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(=O)CCCC(=O)[O-] ZINC000045334615 183498568 /nfs/dbraw/zinc/49/85/68/183498568.db2.gz SXZPTIBMJPZCLS-WGUKNHOESA-N -1 0 320.473 5.620 1 0 DKAFRM CCCCC/C=C\C/C=C\C/C=C\CCCC/C=C/C(=O)[O-] ZINC000064219877 184292815 /nfs/dbraw/zinc/29/28/15/184292815.db2.gz RGPJKRHJQKFQAT-MKRVYSMQSA-N -1 0 304.474 6.217 1 0 DKAFRM CC(C)C1=CC[C@@H]2C(=C1)CC[C@H]1[C@@](C)(C(=O)[O-])CCC[C@]12C ZINC000064373025 184296185 /nfs/dbraw/zinc/29/61/85/184296185.db2.gz RWWVEQKPFPXLGL-JYBIWHBTSA-N -1 0 302.458 5.206 1 0 DKAFRM CC(C)C1=CC[C@H]2C(=C1)CC[C@H]1[C@@](C)(C(=O)[O-])CCC[C@@]21C ZINC000064373030 184295939 /nfs/dbraw/zinc/29/59/39/184295939.db2.gz RWWVEQKPFPXLGL-HNJRGHQBSA-N -1 0 302.458 5.206 1 0 DKAFRM CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]1[C@@](C)(C(=O)[O-])CCC[C@@]21C ZINC000064373031 184296077 /nfs/dbraw/zinc/29/60/77/184296077.db2.gz RWWVEQKPFPXLGL-ZULIPRJHSA-N -1 0 302.458 5.206 1 0 DKAFRM CC(/C=C/c1ccc2ccccc2c1)=C\C=C\C(C)=C\C(=O)[O-] ZINC000066066500 184386403 /nfs/dbraw/zinc/38/64/03/184386403.db2.gz WGWIGDJXMKOONW-KDSGRPAESA-N -1 0 304.389 5.386 1 0 DKAFRM CCOc1c(-c2occ(C)c2C(=O)[O-])ccc2c(CC)cccc21 ZINC000066100062 184388882 /nfs/dbraw/zinc/38/88/82/184388882.db2.gz OBSKWPZSNWHCQC-UHFFFAOYSA-N -1 0 324.376 5.068 1 0 DKAFRM C/C(=C\C(=O)[O-])CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@]21C ZINC000069481841 290941494 /nfs/dbraw/zinc/94/14/94/290941494.db2.gz PTTZIVOUVLKMQU-LFJJKZNKSA-N -1 0 318.501 5.986 1 0 biogenic,in-vitro DKAFRM CC(/C=C/C=C(C)\C=C\C1=C[C@]2(C(C)C)C[C@@H]2[C@H]1C)=C\C(=O)[O-] ZINC000071317954 190957264 /nfs/dbraw/zinc/95/72/64/190957264.db2.gz DKRKJWTYVYDMRU-GQADQPKISA-N -1 0 312.453 5.314 1 0 DKAFRM CC(C)(CCCOc1ccc(/C=C/c2ccccc2)cc1)C(=O)[O-] ZINC000072118207 191038859 /nfs/dbraw/zinc/03/88/59/191038859.db2.gz VGNDLTSULCNHGL-MDZDMXLPSA-N -1 0 324.420 5.127 1 0 DKAFRM O=C([O-])c1sccc1SCc1cccc(Cl)c1Cl ZINC000073140446 191282649 /nfs/dbraw/zinc/28/26/49/191282649.db2.gz IMNZYJADHDSLID-UHFFFAOYSA-N -1 0 319.234 5.045 1 0 DKAFRM Cc1ccc2nc([N-]c3nc4ccc(F)cc4s3)sc2c1 ZINC000073223398 191295977 /nfs/dbraw/zinc/29/59/77/191295977.db2.gz ICGLFOUONOZMEC-UHFFFAOYSA-N -1 0 315.398 5.097 1 0 DKAFRM CC[C@@H](C/C=C/CCC(=O)[O-])CCCCCC[C@@H]1C=CCC1 ZINC000085489321 560075490 /nfs/dbraw/zinc/07/54/90/560075490.db2.gz UZPUTBCUXASSJO-HRNLXLLQSA-N -1 0 306.490 6.131 1 0 biogenic,in-vitro DKAFRM CCCCC[C@H](O)/C=C/C=C/C1CCC(CCCC(=O)[O-])CC1 ZINC000085490988 290942546 /nfs/dbraw/zinc/94/25/46/290942546.db2.gz FHVGNOGWCPWWCB-CAXTXHQYSA-N -1 0 322.489 5.101 1 0 biogenic,in-vitro DKAFRM C[C@@H]1C[C@H](Cc2ccccc2)[C@@H]2CC3=C(C(=O)[O-])CC[C@@]31C2(C)C ZINC000085549164 290942692 /nfs/dbraw/zinc/94/26/92/290942692.db2.gz DFSWBPWIZCIFNI-MTZLEEOVSA-N -1 0 324.464 5.093 1 0 biogenic,in-vitro DKAFRM C[C@@H]1CC[C@@H]2CC3=C(C(=O)[O-])CC[C@@]31[C@]2(C)C1CCCCC1 ZINC000085549178 560072010 /nfs/dbraw/zinc/07/20/10/560072010.db2.gz GXIPQVXMPWJHIU-JNZMBRMSSA-N -1 0 302.458 5.184 1 0 biogenic,in-vitro DKAFRM CCCCC/C=C\C/C=C\[C@H](O)/C=C\C/C=C\CCCC(=O)[O-] ZINC000085588773 571783834 /nfs/dbraw/zinc/78/38/34/571783834.db2.gz ZUOCVLADVGGUGH-LWZFADKSSA-N -1 0 320.473 5.188 1 0 endogenous,in-man DKAFRM C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)[O-])O2 ZINC000085697576 560066803 /nfs/dbraw/zinc/06/68/03/560066803.db2.gz NVLJYZLKNZPYEN-SBCNTATESA-N -1 0 322.489 5.032 1 0 biogenic,in-vitro DKAFRM C/C(=C/C(=O)[O-])CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C ZINC000085993650 560063040 /nfs/dbraw/zinc/06/30/40/560063040.db2.gz YUYHINCTHBQFIT-JUMNCZHZSA-N -1 0 304.474 5.596 1 0 endogenous,in-man DKAFRM CC/C=C\CCCCCCCCCCCCCCCCC(=O)[O-] ZINC000095556907 185379832 /nfs/dbraw/zinc/37/98/32/185379832.db2.gz CREXZDFCTBUYQY-ARJAWSKDSA-N -1 0 324.549 7.279 1 0 DKAFRM O=C([O-])CCCCSCCCCCCCCCCCCF ZINC000095565520 185380207 /nfs/dbraw/zinc/38/02/07/185380207.db2.gz BTBMNDLOZUDBEI-UHFFFAOYSA-N -1 0 320.514 5.845 1 0 DKAFRM O=C([O-])CCSCCCCCCCCCCCCCCF ZINC000095565626 185380331 /nfs/dbraw/zinc/38/03/31/185380331.db2.gz NYESMBZSWNALAE-UHFFFAOYSA-N -1 0 320.514 5.845 1 0 DKAFRM O=C([O-])CCSCCCC/C=C\CCCCCCCCF ZINC000095565627 185380327 /nfs/dbraw/zinc/38/03/27/185380327.db2.gz YFSQQMGSLWYHBL-XQRVVYSFSA-N -1 0 318.498 5.621 1 0 DKAFRM COc1cc(C)cc(/C=C/c2ccc3ccccc3c2)c1C(=O)[O-] ZINC000095589479 185381858 /nfs/dbraw/zinc/38/18/58/185381858.db2.gz CXLHZXVUOKUFRF-CSKARUKUSA-N -1 0 318.372 5.025 1 0 DKAFRM CC1=C(CC(=O)[O-])c2ccccc2/C1=C\c1ccc(C(C)C)cc1 ZINC000095590098 185382171 /nfs/dbraw/zinc/38/21/71/185382171.db2.gz ZCKJEQOGCREIGX-NDENLUEZSA-N -1 0 318.416 5.612 1 0 DKAFRM O=C([O-])c1oc2ccccc2c1CCc1cccc2ccccc21 ZINC000095596659 193447393 /nfs/dbraw/zinc/44/73/93/193447393.db2.gz IRIRYEAKZCFSIR-UHFFFAOYSA-N -1 0 316.356 5.069 1 0 DKAFRM C=CC1=C(C)[C@@H]2CC[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)[O-])[C@H]2CC1 ZINC000095910032 290940435 /nfs/dbraw/zinc/94/04/35/290940435.db2.gz AKARDCJUGQYTMY-OIGVQNGMSA-N -1 0 302.458 5.206 1 0 biogenic,in-vitro DKAFRM CC(C)=CC[C@H](O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)[O-] ZINC000095912067 290940939 /nfs/dbraw/zinc/94/09/39/290940939.db2.gz WUTNFDVILUENNQ-HBSSDYDPSA-N -1 0 320.473 5.188 1 0 biogenic,in-vitro DKAFRM C/C(=C\C(=O)[O-])CC[C@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@@H]12 ZINC000095912644 290941497 /nfs/dbraw/zinc/94/14/97/290941497.db2.gz NLVMTSRTOGOFQD-OBEVQLELSA-N -1 0 304.474 5.596 1 0 biogenic,in-vitro DKAFRM O=C([O-])c1c(O)cc(Cl)cc1/C=C\c1ccc2ccccc2c1 ZINC000096903473 185390485 /nfs/dbraw/zinc/39/04/85/185390485.db2.gz QKILBGZKFYFMHM-VURMDHGXSA-N -1 0 324.763 5.067 1 0 DKAFRM COc1cc(C)cc(/C=C\c2ccc3ccccc3c2)c1C(=O)[O-] ZINC000096903476 185390513 /nfs/dbraw/zinc/39/05/13/185390513.db2.gz CXLHZXVUOKUFRF-NTMALXAHSA-N -1 0 318.372 5.025 1 0 DKAFRM CC(/C=C/C=C(C)\C=C1/CCCc2ccc(C)cc21)=C\C(=O)[O-] ZINC000098208321 193792044 /nfs/dbraw/zinc/79/20/44/193792044.db2.gz TZMKYYXLMOFFMM-NDMWHMLYSA-N -1 0 308.421 5.248 1 0 in-vitro DKAFRM C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@H]3CC[C@](C)(CC=O)CC3=CC[C@@H]12 ZINC000101917855 193848123 /nfs/dbraw/zinc/84/81/23/193848123.db2.gz VYJXVGZSKPBRSB-BYPFJHSVSA-N -1 0 318.457 5.092 1 0 DKAFRM O=C([O-])CCCCSCCCCCCCCCCCC[18F] ZINC000103064400 185431045 /nfs/dbraw/zinc/43/10/45/185431045.db2.gz BTBMNDLOZUDBEI-SQZVAGKESA-N -1 0 319.517 5.845 1 0 DKAFRM O=C([O-])CCSCCCCCCCCCCCCCC[18F] ZINC000103072165 185431226 /nfs/dbraw/zinc/43/12/26/185431226.db2.gz NYESMBZSWNALAE-SQZVAGKESA-N -1 0 319.517 5.845 1 0 DKAFRM C/C1=C/C=C(/C(C)C)CC/C(C(=O)[O-])=C\CC/C(C)=C\CC1 ZINC000139170209 186020385 /nfs/dbraw/zinc/02/03/85/186020385.db2.gz PJVZQWKLUCVIQA-STOOBPTRSA-N -1 0 302.458 5.827 1 0 DKAFRM CCCCC[C@H](O)/C=C/C=C\C/C=C/C/C=C\CCCC(=O)[O-] ZINC000143245464 186033416 /nfs/dbraw/zinc/03/34/16/186033416.db2.gz JSFATNQSLKRBCI-VIHQAMSXSA-N -1 0 320.473 5.188 1 0 in-man DKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC(C)(C)C(=O)[O-] ZINC000147016986 186038308 /nfs/dbraw/zinc/03/83/08/186038308.db2.gz VYVMTMRSNNFHJT-IUBLYSDUSA-N -1 0 324.530 6.002 1 0 DKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCCC(=O)[O-] ZINC000166941596 197701701 /nfs/dbraw/zinc/70/17/01/197701701.db2.gz HSOBUDCLIVJMDO-BTMZFSHUSA-N -1 0 310.503 5.614 1 0 DKAFRM C[C@H]1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000523042091 560029137 /nfs/dbraw/zinc/02/91/37/560029137.db2.gz GMXGAPWNZFBSDY-NQOFJFAASA-N -1 0 304.474 5.120 1 0 biogenic DKAFRM CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)[O-])[C@H]2CC1 ZINC000003978742 181059917 /nfs/dbraw/zinc/05/99/17/181059917.db2.gz RSWGJHLUYNHPMX-CUDHKJQZSA-N -1 0 302.458 5.206 3 0 biogenic,in-vitro DKAFRM C/C(=C\C(=O)[O-])CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 ZINC000006031052 181306843 /nfs/dbraw/zinc/30/68/43/181306843.db2.gz NLVMTSRTOGOFQD-MWRQYBNOSA-N -1 0 304.474 5.596 3 0 DKAFRM