smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1 ZINC000000579895 560178340 /nfs/dbraw/zinc/17/83/40/560178340.db2.gz XPNTUFZVLSDQBO-UHFFFAOYSA-N 0 0 422.477 5.500 1 0 in-vitro HKAFRN Cc1ccccc1-c1c(CC(=O)N(Cc2ccncc2)C(C)C)c2ccccc2n1C ZINC000000603694 581092614 /nfs/dbraw/zinc/09/26/14/581092614.db2.gz QBIOEIXFXALQMC-UHFFFAOYSA-N 0 0 411.549 5.528 1 0 HKAFRN Cc1c(C(=O)NCCC2=CCCCC2)sc2nc(C)nc(N3CCC(C)CC3)c12 ZINC000000753904 132232292 /nfs/dbraw/zinc/23/22/92/132232292.db2.gz GWZCQJYXCOGQFJ-UHFFFAOYSA-N 0 0 412.603 5.165 1 0 HKAFRN CCN1c2ncc(CSc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000000841494 581095754 /nfs/dbraw/zinc/09/57/54/581095754.db2.gz TYPYIAOCHCKFIA-UHFFFAOYSA-N 0 0 410.930 5.170 1 0 HKAFRN C[C@H]1C[C@]2(C)Oc3ccccc3[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@@H]32 ZINC000001057584 557162205 /nfs/dbraw/zinc/16/22/05/557162205.db2.gz UONFBIWUOHBYQS-QTLDXMDBSA-N 0 0 407.510 5.436 1 0 HKAFRN COc1cc2c(cc1OCc1ccsc1)ncnc2Nc1ccc(Cl)cc1F ZINC000001486986 581095550 /nfs/dbraw/zinc/09/55/50/581095550.db2.gz ORADRWKXLYIOGS-UHFFFAOYSA-N 0 0 415.877 5.815 1 0 HKAFRN Nc1cc(OCc2ccccc2)c2c(n1)[nH]c(-c1ccc(F)cc1)c2-c1ccncc1 ZINC000001489189 581098412 /nfs/dbraw/zinc/09/84/12/581098412.db2.gz JGSOKYHCMXFSQG-UHFFFAOYSA-N 0 0 410.452 5.592 1 0 HKAFRN CCC[C@H](C1CC1)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000001491975 132246952 /nfs/dbraw/zinc/24/69/52/132246952.db2.gz HPYQQBOLIOXGBO-MRXNPFEDSA-N 0 0 421.372 5.685 1 0 HKAFRN CS(=O)(=O)c1ccc(-c2sc(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000001544146 581100146 /nfs/dbraw/zinc/10/01/46/581100146.db2.gz JYEIFLFWIPVEJV-UHFFFAOYSA-N 0 0 423.534 5.611 1 0 HKAFRN O=c1cc(-c2ccc(-c3csc4ccccc43)cc2)sc(N2CCOCC2)c1 ZINC000001553585 132247151 /nfs/dbraw/zinc/24/71/51/132247151.db2.gz ABOSKNBFTLZPNO-UHFFFAOYSA-N 0 0 405.544 5.494 1 0 HKAFRN Cc1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)c2ccccc12 ZINC000001553586 132247127 /nfs/dbraw/zinc/24/71/27/132247127.db2.gz WJKXTEXQFFTJQR-UHFFFAOYSA-N 0 0 413.542 5.741 1 0 HKAFRN CCCC(CCC)N1C[C@H]2CCN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32 ZINC000001553729 132247197 /nfs/dbraw/zinc/24/71/97/132247197.db2.gz VJJBGPHBOZISOV-OAHLLOKOSA-N 0 0 419.400 6.506 1 0 HKAFRN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000001647192 132247387 /nfs/dbraw/zinc/24/73/87/132247387.db2.gz FSOOSFAWPYBMSB-UHFFFAOYSA-N 0 0 404.124 5.263 1 0 HKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(Cl)c1)Oc1ccc(F)cc1-3 ZINC000002003449 581093141 /nfs/dbraw/zinc/09/31/41/581093141.db2.gz OHLMRBMVXRKABN-XMMPIXPASA-N 0 0 405.900 7.235 1 0 HKAFRN Cc1ccc(N2CCN(C3=Nc4cc(Cl)ccc4Oc4ccccc43)CC2)cc1 ZINC000002184635 132249105 /nfs/dbraw/zinc/24/91/05/132249105.db2.gz YUIMBZJOUNWMDL-UHFFFAOYSA-N 0 0 403.913 5.655 1 0 HKAFRN Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2 ZINC000002539618 291297127 /nfs/dbraw/zinc/29/71/27/291297127.db2.gz QUEDXNHFTDJVIY-XJGOYTCSSA-N 0 0 416.690 8.532 1 0 endogenous,world HKAFRN CC(C)c1cc(-c2ccc(F)cc2)c(OC[C@@H]2C[C@@H](O)CC(=O)O2)c(C(C)C)c1 ZINC000003801035 560189546 /nfs/dbraw/zinc/18/95/46/560189546.db2.gz JMEOINPEUMGNEF-UXHICEINSA-N 0 0 400.490 5.185 1 0 in-vitro HKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000003801184 560189507 /nfs/dbraw/zinc/18/95/07/560189507.db2.gz BZRPOJGQEWLGMP-UHFFFAOYSA-N 0 0 409.791 6.003 1 0 in-vitro HKAFRN CS(=O)(=O)c1ccc(-c2sc(-c3cccs3)nc2-c2ccc(F)cc2)cc1 ZINC000003814559 581100134 /nfs/dbraw/zinc/10/01/34/581100134.db2.gz ISMZMNIRFHOTII-UHFFFAOYSA-N 0 0 415.536 5.748 1 0 HKAFRN CS(=O)(=O)c1ccc(-c2sc(-c3cccnc3)nc2-c2ccc(F)cc2)cc1 ZINC000003814560 581100141 /nfs/dbraw/zinc/10/01/41/581100141.db2.gz HLDHGCXLULNDEX-UHFFFAOYSA-N 0 0 410.495 5.082 1 0 HKAFRN CS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000003814619 581100142 /nfs/dbraw/zinc/10/01/42/581100142.db2.gz ZZBKFGAUXXMYNA-UHFFFAOYSA-N 0 0 408.910 5.263 1 0 HKAFRN CCc1nc2c(n1C(C1CC1)C1CC1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000003821128 536154578 /nfs/dbraw/zinc/15/45/78/536154578.db2.gz AUECLXXBKDPVTQ-UHFFFAOYSA-N 0 0 419.356 5.295 1 0 HKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000003821130 535359984 /nfs/dbraw/zinc/35/99/84/535359984.db2.gz DTMWOWMZYRXNDY-UHFFFAOYSA-N 0 0 423.388 6.075 1 0 HKAFRN CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000003824125 560189786 /nfs/dbraw/zinc/18/97/86/560189786.db2.gz OGQJUYXFIOFTMA-PBJLWWPKSA-N 0 0 412.702 8.089 1 0 in-vitro HKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(Cl)c1)Oc1ccc(F)cc1-3 ZINC000003828608 581092976 /nfs/dbraw/zinc/09/29/76/581092976.db2.gz OHLMRBMVXRKABN-DEOSSOPVSA-N 0 0 405.900 7.235 1 0 HKAFRN C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3 ZINC000003831991 581097817 /nfs/dbraw/zinc/09/78/17/581097817.db2.gz FOPLNUAISVOILB-PSLXWICFSA-N 0 0 403.909 6.366 1 0 HKAFRN COc1cc(C[C@@H]2C3(C=C(C)CC2(C)C)CC3)c(OC(C)=O)cc1Br ZINC000003833834 581099360 /nfs/dbraw/zinc/09/93/60/581099360.db2.gz PMLKFXMDGNDNEI-IBGZPJMESA-N 0 0 407.348 5.698 1 0 HKAFRN C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2C(=O)[C@H]1C)OC(C)(C)C=C3 ZINC000003874988 291295871 /nfs/dbraw/zinc/29/58/71/291295871.db2.gz YRHQANFINIANSK-UONOGXRCSA-N 0 0 402.446 5.244 1 0 biogenic,in-vitro HKAFRN CCCCCc1n[nH]c2ccc(Oc3c(C)cc(NC(=O)C(=O)OCC)cc3C)cc12 ZINC000003943380 581093930 /nfs/dbraw/zinc/09/39/30/581093930.db2.gz RHAGPMZPHJCDHK-UHFFFAOYSA-N 0 0 423.513 5.206 1 0 HKAFRN CC(C)CCC[C@@H](C)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003943847 560191513 /nfs/dbraw/zinc/19/15/13/560191513.db2.gz BHOGPBCKBGSAIM-HBOTYGMJSA-N 0 0 402.663 6.648 1 0 in-vitro HKAFRN O=C(c1ccncc1)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000003955822 132269205 /nfs/dbraw/zinc/26/92/05/132269205.db2.gz XENFBLDKZVBLLC-UHFFFAOYSA-N 0 0 411.549 5.271 1 0 HKAFRN Cn1cccc1C(=O)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000003955830 132269276 /nfs/dbraw/zinc/26/92/76/132269276.db2.gz OLOOEPLRHJSUOE-UHFFFAOYSA-N 0 0 413.565 5.215 1 0 HKAFRN O=C(c1ccco1)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2 ZINC000003955880 132269273 /nfs/dbraw/zinc/26/92/73/132269273.db2.gz VKMKECLLYOSGCX-UHFFFAOYSA-N 0 0 400.522 5.469 1 0 HKAFRN Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2 ZINC000003955888 132269214 /nfs/dbraw/zinc/26/92/14/132269214.db2.gz DBPRMNQIOMOTRG-UHFFFAOYSA-N 0 0 413.565 5.215 1 0 HKAFRN O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2 ZINC000003955896 132269244 /nfs/dbraw/zinc/26/92/44/132269244.db2.gz DTCRRUVONQUHNA-UHFFFAOYSA-N 0 0 411.549 5.271 1 0 HKAFRN O=C(c1ccncc1)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 ZINC000003956088 132269285 /nfs/dbraw/zinc/26/92/85/132269285.db2.gz RVNIUCRTBTYTAO-UHFFFAOYSA-N 0 0 411.549 5.271 1 0 HKAFRN Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 ZINC000003956104 132269300 /nfs/dbraw/zinc/26/93/00/132269300.db2.gz KNDKDQRQDKHBKV-UHFFFAOYSA-N 0 0 413.565 5.215 1 0 HKAFRN O=C(c1ccco1)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 ZINC000003956112 132269298 /nfs/dbraw/zinc/26/92/98/132269298.db2.gz LKQAGUNHNAMQAK-UHFFFAOYSA-N 0 0 400.522 5.469 1 0 HKAFRN Cn1cccc1C(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956132 132269263 /nfs/dbraw/zinc/26/92/63/132269263.db2.gz CPOAOJXWAHEXOL-UHFFFAOYSA-N 0 0 413.565 5.215 1 0 HKAFRN O=C(c1ccco1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956148 132269208 /nfs/dbraw/zinc/26/92/08/132269208.db2.gz NKTLLAFDKOAHDB-UHFFFAOYSA-N 0 0 400.522 5.469 1 0 HKAFRN O=C(c1ccncc1)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956203 132269253 /nfs/dbraw/zinc/26/92/53/132269253.db2.gz RJFGJDDGDHWATH-UHFFFAOYSA-N 0 0 411.549 5.271 1 0 HKAFRN CCCC(CCC)N1C[C@@H]2CCN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32 ZINC000003988331 132269578 /nfs/dbraw/zinc/26/95/78/132269578.db2.gz VJJBGPHBOZISOV-HNNXBMFYSA-N 0 0 419.400 6.506 1 0 HKAFRN Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2 ZINC000004095860 291297132 /nfs/dbraw/zinc/29/71/32/291297132.db2.gz QUEDXNHFTDJVIY-VPYPWEPUSA-N 0 0 416.690 8.532 1 0 endogenous,world HKAFRN Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2 ZINC000004095862 291297133 /nfs/dbraw/zinc/29/71/33/291297133.db2.gz QUEDXNHFTDJVIY-TYPXCFOJSA-N 0 0 416.690 8.532 1 0 endogenous,world HKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004521575 574412319 /nfs/dbraw/zinc/41/23/19/574412319.db2.gz INBGSXNNRGWLJU-COOVLLJXSA-N 0 0 402.663 6.504 1 0 endogenous,in-man HKAFRN Cc1c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)sc2nc(C)nc(N3CCC(C)CC3)c12 ZINC000004716594 132285777 /nfs/dbraw/zinc/28/57/77/132285777.db2.gz DTFGLOUEXMCGCY-RLFYNMQTSA-N 0 0 414.619 5.099 1 0 HKAFRN Cc1c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)sc2nc(C)nc(N3CCC(C)CC3)c12 ZINC000004716596 132285778 /nfs/dbraw/zinc/28/57/78/132285778.db2.gz DTFGLOUEXMCGCY-RVKKMQEKSA-N 0 0 414.619 5.099 1 0 HKAFRN C[C@]12C[C@H](c3ccccc3O1)N(C(=O)c1cccc(F)c1)C(=S)N2c1ccccc1 ZINC000004821904 132289788 /nfs/dbraw/zinc/28/97/88/132289788.db2.gz RNBGNJKSQFSSMX-HYBUGGRVSA-N 0 0 418.493 5.313 1 0 HKAFRN Cc1ccc(CN2CCSc3ccc(C(=O)Nc4ccc(F)cc4F)cc32)cc1 ZINC000004908161 132293004 /nfs/dbraw/zinc/29/30/04/132293004.db2.gz KKTKTEUAXYEVJS-UHFFFAOYSA-N 0 0 410.489 5.638 1 0 aggregator HKAFRN CC(C)=CCC[C@]1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c(O)cc2O1 ZINC000005158748 571688747 /nfs/dbraw/zinc/68/87/47/571688747.db2.gz FZAZNGMSARSUNC-WIOPSUGQSA-N 0 0 422.477 5.421 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@]1(C)C=Cc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c(O)cc2O1 ZINC000005158749 571688554 /nfs/dbraw/zinc/68/85/54/571688554.db2.gz FZAZNGMSARSUNC-RCZVLFRGSA-N 0 0 422.477 5.421 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@@]1(C)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c(O)cc2O1 ZINC000005158782 571688574 /nfs/dbraw/zinc/68/85/74/571688574.db2.gz FZAZNGMSARSUNC-DHLKQENFSA-N 0 0 422.477 5.421 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@@]1(C)C=Cc2cc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c(O)cc2O1 ZINC000005158783 571688695 /nfs/dbraw/zinc/68/86/95/571688695.db2.gz FZAZNGMSARSUNC-RDGATRHJSA-N 0 0 422.477 5.421 1 0 endogenous,in-man HKAFRN CC(C)=CCOc1ccc(-c2coc3cc4c(c(=O)c-3c2O)C=CC(C)(C)O4)cc1 ZINC000005601502 560202531 /nfs/dbraw/zinc/20/25/31/560202531.db2.gz OHVOXMFXCZKNPR-UHFFFAOYSA-N 0 0 404.462 5.695 1 0 biogenic,in-vitro HKAFRN CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005759192 560202966 /nfs/dbraw/zinc/20/29/66/560202966.db2.gz ULLWYOKOOHAYDJ-SDLILUQASA-N 0 0 418.662 5.330 1 0 in-vitro HKAFRN CN1C=CN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C=C1 ZINC000005850567 560203536 /nfs/dbraw/zinc/20/35/36/560203536.db2.gz DTHNGLBXMLDUNS-UHFFFAOYSA-N 0 0 403.473 5.888 1 0 in-vitro HKAFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O ZINC000005854068 560203563 /nfs/dbraw/zinc/20/35/63/560203563.db2.gz GOAUTULGLLBZSR-YLLUOSTHSA-N 0 0 408.494 5.745 1 0 in-vitro HKAFRN COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3cc(O)c(CC=C(C)C)cc3[C@@H]1CO2 ZINC000005854719 560203518 /nfs/dbraw/zinc/20/35/18/560203518.db2.gz WIEKYGJSRGBBTQ-AFMDSPMNSA-N 0 0 422.521 5.734 1 0 in-vitro HKAFRN CC1(C)c2ccc3c(c2CC[C@H]1O)CC[C@@]1(C)[C@@H]2C[C@](C)(CO)CC[C@]2(C)CC[C@]31C ZINC000005963995 291289733 /nfs/dbraw/zinc/28/97/33/291289733.db2.gz RLAPPWNRKMRMFF-FHRWRSIDSA-N 0 0 424.669 6.080 1 0 biogenic,in-vitro HKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006036328 560204663 /nfs/dbraw/zinc/20/46/63/560204663.db2.gz BQMSKLCEWBSPPY-CGSQRZAOSA-N 0 0 418.662 5.474 1 0 in-vitro HKAFRN Cc1c(O)cc2c(c1C)O[C@@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2 ZINC000011616760 291297130 /nfs/dbraw/zinc/29/71/30/291297130.db2.gz QUEDXNHFTDJVIY-WENCSYSZSA-N 0 0 416.690 8.532 1 0 endogenous,world HKAFRN CC(C)(C)c1cnc(CSc2cnc(NC(=O)OCc3ccccc3)s2)o1 ZINC000012355026 581091713 /nfs/dbraw/zinc/09/17/13/581091713.db2.gz AVZTYQBOJJCITC-UHFFFAOYSA-N 0 0 403.529 5.470 1 0 HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494041 571693946 /nfs/dbraw/zinc/69/39/46/571693946.db2.gz ARYTXMNEANMLMU-NNXBZSHVSA-N 0 0 402.707 7.715 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494047 571693967 /nfs/dbraw/zinc/69/39/67/571693967.db2.gz ARYTXMNEANMLMU-BNAVWIJRSA-N 0 0 402.707 7.715 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494051 571693908 /nfs/dbraw/zinc/69/39/08/571693908.db2.gz ARYTXMNEANMLMU-UOYMAXTLSA-N 0 0 402.707 7.715 1 0 endogenous,in-man HKAFRN C[C@@H]1C[C@@]2(C)Oc3ccccc3[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@@H]32 ZINC000012656349 558444746 /nfs/dbraw/zinc/44/47/46/558444746.db2.gz UONFBIWUOHBYQS-KSLRLJCDSA-N 0 0 407.510 5.436 1 0 HKAFRN C[C@H]1C[C@@]2(C)Oc3ccccc3[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@@H]32 ZINC000012656352 558444699 /nfs/dbraw/zinc/44/46/99/558444699.db2.gz UONFBIWUOHBYQS-NXXWELQTSA-N 0 0 407.510 5.436 1 0 HKAFRN C[C@@H]1C[C@]2(C)Oc3ccccc3[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@@H]32 ZINC000012656355 558444740 /nfs/dbraw/zinc/44/47/40/558444740.db2.gz UONFBIWUOHBYQS-UYLQAXTISA-N 0 0 407.510 5.436 1 0 HKAFRN CC[C@@H](C)C(=O)c1c(O)c(C)c(OC/C=C(\C)CCC=C(C)C)c(C(C)=O)c1O ZINC000013307226 291292465 /nfs/dbraw/zinc/29/24/65/291292465.db2.gz SLMXSSJVARUOAM-ASNKMWSDSA-N 0 0 402.531 5.909 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1c2c(cc3c1O[C@H](c1ccc(O)cc1O)CC3=O)C=CC(C)(C)O2 ZINC000013339838 291286743 /nfs/dbraw/zinc/28/67/43/291286743.db2.gz LXNLNOQFXKTBRA-QFIPXVFZSA-N 0 0 406.478 5.497 1 0 biogenic,in-vitro HKAFRN CC(C)=CCC[C@]1(C)C=Cc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 ZINC000013340816 574413162 /nfs/dbraw/zinc/41/31/62/574413162.db2.gz NZEMOONSVTXJCP-RUZDIDTESA-N 0 0 408.494 5.530 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@@]1(C)C=Cc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 ZINC000013340818 574413152 /nfs/dbraw/zinc/41/31/52/574413152.db2.gz NZEMOONSVTXJCP-VWLOTQADSA-N 0 0 408.494 5.530 1 0 endogenous,in-man HKAFRN COc1ccc(-c2c(OC)cc(OC)c3c2C[C@H](C)N=C3C)c2cc(C)cc(OC)c12 ZINC000013359134 291294368 /nfs/dbraw/zinc/29/43/68/291294368.db2.gz MIMNIDIHOQDTFD-HNNXBMFYSA-N 0 0 419.521 5.603 1 0 biogenic,in-vitro HKAFRN COc1ccc(-c2c(OC)cc(OC)c3c2C[C@@H](C)N=C3C)c2cc(C)cc(OC)c12 ZINC000013359138 291294385 /nfs/dbraw/zinc/29/43/85/291294385.db2.gz MIMNIDIHOQDTFD-OAHLLOKOSA-N 0 0 419.521 5.603 1 0 biogenic,in-vitro HKAFRN COc1cccc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)N=C2C ZINC000013359242 291294375 /nfs/dbraw/zinc/29/43/75/291294375.db2.gz XSHYHGPIMCKDFK-HNNXBMFYSA-N 0 0 419.521 5.603 1 0 biogenic,in-vitro HKAFRN COc1cccc2c1c(OC)cc(C)c2-c1c(O)cc2c(c1OC)C(C)=N[C@@H](C)C2 ZINC000013359285 291293830 /nfs/dbraw/zinc/29/38/30/291293830.db2.gz XMOJFRYAKHSQFO-AWEZNQCLSA-N 0 0 405.494 5.300 1 0 biogenic,in-vitro HKAFRN COc1cccc2cc(C)c(-c3c(OC)cc(OC)c4c3C[C@H](C)N=C4C)c(O)c21 ZINC000013359329 560214954 /nfs/dbraw/zinc/21/49/54/560214954.db2.gz QGIHYQPVZRSTNP-AWEZNQCLSA-N 0 0 405.494 5.300 1 0 in-vitro HKAFRN COc1cccc2cc(C)c(-c3c(OC)cc(OC)c4c3C[C@@H](C)N=C4C)c(O)c21 ZINC000013359332 291294361 /nfs/dbraw/zinc/29/43/61/291294361.db2.gz QGIHYQPVZRSTNP-CQSZACIVSA-N 0 0 405.494 5.300 1 0 biogenic,in-vitro HKAFRN COc1cccc2cc(C)c(-c3c(OC)cc4c(c3OC)C(C)=N[C@@H](C)C4)c(O)c21 ZINC000013359350 291294798 /nfs/dbraw/zinc/29/47/98/291294798.db2.gz CESMSNGGFQBVOV-AWEZNQCLSA-N 0 0 405.494 5.300 1 0 biogenic,in-vitro HKAFRN CC(C)CNC(=O)/C=C/C=C/CCCCCCC/C=C/Cc1ccc2c(c1)OCO2 ZINC000013378981 291288477 /nfs/dbraw/zinc/28/84/77/291288477.db2.gz UJRIYGLYYIVULW-AVWSMISZSA-N 0 0 411.586 6.129 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccc(O)cc1)CC2=O ZINC000013382489 560104457 /nfs/dbraw/zinc/10/44/57/560104457.db2.gz TXWYWZHIUMRYOS-FQEVSTJZSA-N 0 0 406.478 5.497 1 0 endogenous,in-man HKAFRN CC[C@@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)OC(C)(C)C=C2 ZINC000013382693 291292515 /nfs/dbraw/zinc/29/25/15/291292515.db2.gz MIXHWJJKSJFGCZ-CQSZACIVSA-N 0 0 404.462 5.579 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1cc(-c2coc3cc4c(c(=O)c-3c2O)C=CC(C)(C)O4)ccc1O ZINC000013385406 291287129 /nfs/dbraw/zinc/28/71/29/291287129.db2.gz MSKODIWLGXEVTN-UHFFFAOYSA-N 0 0 404.462 5.564 1 0 biogenic,in-vitro HKAFRN Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl ZINC000013438017 581093031 /nfs/dbraw/zinc/09/30/31/581093031.db2.gz CBUNQTSLJBKXPU-UHFFFAOYSA-N 0 0 415.320 5.854 1 0 HKAFRN COc1ccc2c3c(c(=O)oc2c1)[C@@H](C)[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)O3 ZINC000013460815 291295578 /nfs/dbraw/zinc/29/55/78/291295578.db2.gz GKKFSJKWTPVFGM-JRLFELCZSA-N 0 0 408.494 5.927 1 0 biogenic,in-vitro HKAFRN COc1ccc2c3c(c(=O)oc2c1)[C@H](C)[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)O3 ZINC000013460819 560217076 /nfs/dbraw/zinc/21/70/76/560217076.db2.gz GKKFSJKWTPVFGM-CYWISYQWSA-N 0 0 408.494 5.927 1 0 in-vitro HKAFRN COc1ccc2c3c(c(=O)oc2c1)[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@@H](C)O3 ZINC000013460831 560217021 /nfs/dbraw/zinc/21/70/21/560217021.db2.gz VQRPFWMTIIMDKU-PCHPTOQVSA-N 0 0 408.494 5.711 1 0 in-vitro HKAFRN COc1ccc2c3c(c(=O)oc2c1)[C@@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@H](C)O3 ZINC000013460835 291295547 /nfs/dbraw/zinc/29/55/47/291295547.db2.gz VQRPFWMTIIMDKU-KFRXIPAMSA-N 0 0 408.494 5.711 1 0 biogenic,in-vitro HKAFRN COc1ccc2c3c(c(=O)oc2c1)[C@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@H](C)O3 ZINC000013460837 291295562 /nfs/dbraw/zinc/29/55/62/291295562.db2.gz VQRPFWMTIIMDKU-CYWISYQWSA-N 0 0 408.494 5.711 1 0 biogenic,in-vitro HKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C ZINC000013473931 581091912 /nfs/dbraw/zinc/09/19/12/581091912.db2.gz NSUUUQRFPXZFLI-ZPCMSWJYSA-N 0 0 414.589 5.724 1 0 in-vivo HKAFRN Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cc(Cl)cc4Cl)[nH]c3ccc2c1C ZINC000013475201 581094096 /nfs/dbraw/zinc/09/40/96/581094096.db2.gz BIDYUGDQYZIBLV-UHFFFAOYSA-N 0 0 407.688 5.725 1 0 HKAFRN C[N@H+](CCCOc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)CCC(=O)[O-] ZINC000013475300 581097409 /nfs/dbraw/zinc/09/74/09/581097409.db2.gz WXPJULBDMSVCLI-UHFFFAOYSA-N 0 0 405.494 5.321 1 0 HKAFRN Fc1ccc(-c2[nH]c3ccc4[nH]c(Cc5ccccc5)nc4c3c2-c2ccncc2)cc1 ZINC000013487224 581098422 /nfs/dbraw/zinc/09/84/22/581098422.db2.gz ZGXVMEYUYQMAQX-UHFFFAOYSA-N 0 0 418.475 6.503 1 0 HKAFRN COc1ccc(C(=O)N2c3ccc(F)cc3[C@@H](Nc3ccc(F)cc3)C[C@H]2C)cc1 ZINC000013490215 132455919 /nfs/dbraw/zinc/45/59/19/132455919.db2.gz MIEGTLCGWZYDRN-QRQCRPRQSA-N 0 0 408.448 5.566 1 0 HKAFRN CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1 ZINC000013490951 581091834 /nfs/dbraw/zinc/09/18/34/581091834.db2.gz VAOAJUWPEYBTAB-UHFFFAOYSA-N 0 0 424.498 5.643 1 0 HKAFRN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)n1C ZINC000013524489 581098356 /nfs/dbraw/zinc/09/83/56/581098356.db2.gz MQFHPDFEZJZDIR-INIZCTEOSA-N 0 0 418.541 6.183 1 0 HKAFRN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)c3ccccc3)c2)n1C ZINC000013524492 581098470 /nfs/dbraw/zinc/09/84/70/581098470.db2.gz MQFHPDFEZJZDIR-MRXNPFEDSA-N 0 0 418.541 6.183 1 0 HKAFRN CCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1 ZINC000013531310 581095869 /nfs/dbraw/zinc/09/58/69/581095869.db2.gz SALBEPPKTYADGM-UHFFFAOYSA-N 0 0 407.901 5.764 1 0 HKAFRN CCCCCCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCCCC1 ZINC000013533134 581093469 /nfs/dbraw/zinc/09/34/69/581093469.db2.gz CHOFSZFLPKTBRW-UHFFFAOYSA-N 0 0 406.983 5.725 1 0 HKAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000013545745 569004634 /nfs/dbraw/zinc/00/46/34/569004634.db2.gz KZJWDPNRJALLNS-IRYJUSTPSA-N 0 0 414.718 8.025 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1 ZINC000013560778 581092532 /nfs/dbraw/zinc/09/25/32/581092532.db2.gz LMWKGVHGBOZNCF-VJTSUQJLSA-N 0 0 406.476 5.630 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1 ZINC000013560786 581092504 /nfs/dbraw/zinc/09/25/04/581092504.db2.gz LMWKGVHGBOZNCF-GPXOXTDOSA-N 0 0 406.476 5.630 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1 ZINC000013560796 581092572 /nfs/dbraw/zinc/09/25/72/581092572.db2.gz SJFOBBRNTWNCES-AFESJLNVSA-N 0 0 420.503 5.500 1 0 HKAFRN CCc1nc2c(n1[C@H](CC)C(C)C)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582800 536154281 /nfs/dbraw/zinc/15/42/81/536154281.db2.gz HDCVSQRGVFDJIL-OAHLLOKOSA-N 0 0 409.361 5.541 1 0 HKAFRN CCc1nc2c(n1[C@@H](C)C1CCC1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582814 536154377 /nfs/dbraw/zinc/15/43/77/536154377.db2.gz VLFFGRQPWHSKJV-LBPRGKRZSA-N 0 0 407.345 5.295 1 0 HKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(OC)cc1Cl ZINC000013582834 535359615 /nfs/dbraw/zinc/35/96/15/535359615.db2.gz GEYTYQVIVZOMQN-UHFFFAOYSA-N 0 0 418.969 5.430 1 0 HKAFRN O=C(CCCCCCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1ncco1 ZINC000013587171 581101931 /nfs/dbraw/zinc/10/19/31/581101931.db2.gz SECSEUFONIRXKH-UHFFFAOYSA-N 0 0 401.466 5.768 1 0 HKAFRN Cc1ccccc1Sc1ccc2c(n1)CNC(=O)N2c1c(Cl)cccc1Cl ZINC000013587241 132457858 /nfs/dbraw/zinc/45/78/58/132457858.db2.gz UZEBTLKJBIERRJ-UHFFFAOYSA-N 0 0 416.333 6.209 1 0 HKAFRN Nc1ccccc1Sc1ccc2c(n1)CNC(=O)N2c1c(Cl)cccc1Cl ZINC000013587249 132457972 /nfs/dbraw/zinc/45/79/72/132457972.db2.gz ZNFIGEGQPUKMLM-UHFFFAOYSA-N 0 0 417.321 5.483 1 0 HKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC ZINC000013610079 581095589 /nfs/dbraw/zinc/09/55/89/581095589.db2.gz DRBIGHXBYOJZLO-UHFFFAOYSA-N 0 0 415.449 5.688 1 0 HKAFRN CC(=O)N1c2ccc(NC(=O)COC(C)(C)C)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611351 132458354 /nfs/dbraw/zinc/45/83/54/132458354.db2.gz FXRVLZMVHRWGFU-SANMLTNESA-N 0 0 422.569 5.281 1 0 HKAFRN CC(=O)N1c2ccc(OCCc3ccccc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611402 132458352 /nfs/dbraw/zinc/45/83/52/132458352.db2.gz BDOHZKGDZKJGLM-NDEPHWFRSA-N 0 0 413.561 6.149 1 0 HKAFRN Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccncc2)c1 ZINC000013673418 581091978 /nfs/dbraw/zinc/09/19/78/581091978.db2.gz WOZKSDHVBUBBLG-UHFFFAOYSA-N 0 0 406.532 5.251 1 0 HKAFRN O=c1cc(N2CCOCC2)oc2ccc(-c3cccc4c5ccccc5sc43)cc12 ZINC000013677126 132458743 /nfs/dbraw/zinc/45/87/43/132458743.db2.gz JHRPCTDVYLDOPD-UHFFFAOYSA-N 0 0 413.498 5.665 1 0 HKAFRN COc1cc(C[C@H]2C3(C=C(C)CC2(C)C)CC3)c(OC(C)=O)cc1Br ZINC000013755712 581099468 /nfs/dbraw/zinc/09/94/68/581099468.db2.gz PMLKFXMDGNDNEI-LJQANCHMSA-N 0 0 407.348 5.698 1 0 HKAFRN CCCCc1oc2ccccc2c1Cc1ccc2c(ccc(O)c2Br)c1 ZINC000013806813 581095083 /nfs/dbraw/zinc/09/50/83/581095083.db2.gz BMJMHOUSOXSXOP-UHFFFAOYSA-N 0 0 409.323 6.988 1 0 HKAFRN Cc1cccc(Cl)c1Nc1nc2cccc(OCc3ccccc3)c2n2cncc12 ZINC000013860303 581092016 /nfs/dbraw/zinc/09/20/16/581092016.db2.gz IRTXXNQFMQSXOH-UHFFFAOYSA-N 0 0 414.896 6.167 1 0 HKAFRN CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1 ZINC000013914617 560220940 /nfs/dbraw/zinc/22/09/40/560220940.db2.gz CFMRIVODIXTERW-FDFHNCONSA-N 0 0 414.630 6.630 1 0 in-vitro HKAFRN CC(C)[C@](C)(O)CCCCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 ZINC000014447961 560221598 /nfs/dbraw/zinc/22/15/98/560221598.db2.gz YWFRYNMHYMAQLJ-HHHXNRCGSA-N 0 0 413.646 7.159 1 0 biogenic,in-vitro HKAFRN CCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCO ZINC000014494445 571710471 /nfs/dbraw/zinc/71/04/71/571710471.db2.gz PTZHJVIKISISFU-UHFFFAOYSA-N 0 0 424.754 9.320 1 0 endogenous,in-man HKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc2c1OC(=O)C2 ZINC000014510492 560222136 /nfs/dbraw/zinc/22/21/36/560222136.db2.gz KNRFZVZIHDOQLP-FPFQZNTGSA-N 0 0 422.609 7.542 1 0 biogenic,in-vitro HKAFRN COc1c(C(=O)C(C)C)c2c(c3oc(=O)cc(-c4ccccc4)c13)C=CC(C)(C)O2 ZINC000014589303 291293389 /nfs/dbraw/zinc/29/33/89/291293389.db2.gz YZTNMIZRHXSBOA-UHFFFAOYSA-N 0 0 404.462 5.492 1 0 biogenic,in-vitro HKAFRN C/C(=C\Cc1cc(O)cc(C)c1O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000014592910 571714665 /nfs/dbraw/zinc/71/46/65/571714665.db2.gz GTWCNYRFOZKWTL-PGJCHXKPSA-N 0 0 402.663 8.334 1 0 endogenous,in-man HKAFRN C/C(=C\Cc1cc(O)cc(C)c1O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000014592911 571714745 /nfs/dbraw/zinc/71/47/45/571714745.db2.gz GTWCNYRFOZKWTL-ZBWFQAOJSA-N 0 0 402.663 8.334 1 0 endogenous,in-man HKAFRN C/C(=C\Cc1cc(O)cc(C)c1O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000014592912 571714752 /nfs/dbraw/zinc/71/47/52/571714752.db2.gz GTWCNYRFOZKWTL-BIDSZKBNSA-N 0 0 402.663 8.334 1 0 endogenous,in-man HKAFRN COc1cc(OC)c(CC=C(C)C)c(-c2cc3ccc(O)cc3o2)c1CC=C(C)C ZINC000014610506 291294365 /nfs/dbraw/zinc/29/43/65/291294365.db2.gz CHDJBHWCUVZCGP-UHFFFAOYSA-N 0 0 406.522 6.840 1 0 biogenic,in-vitro HKAFRN COc1c(O)cc2oc(-c3cc(O)cc(O)c3)cc2c1C/C=C(\C)CCC=C(C)C ZINC000014610512 291293620 /nfs/dbraw/zinc/29/36/20/291293620.db2.gz WLJKBVCQTOXSPP-LZYBPNLTSA-N 0 0 408.494 6.460 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1c(O)cccc1O)CC3=O)C=CC(C)(C)O2 ZINC000014618619 291286745 /nfs/dbraw/zinc/28/67/45/291286745.db2.gz WHHZACYYTYNGSW-IBGZPJMESA-N 0 0 422.477 5.203 1 0 biogenic,in-vitro HKAFRN COc1c(CC=C(C)C)c2c(c3occ(-c4ccc(O)cc4)c(=O)c13)C=CC(C)(C)O2 ZINC000014618654 291293631 /nfs/dbraw/zinc/29/36/31/291293631.db2.gz OUZCFMSJGDEXRT-UHFFFAOYSA-N 0 0 418.489 5.867 1 0 biogenic,in-vitro HKAFRN COc1cc(O)c(C(=O)[C@@H]2[C@@H](CC=C(C)C)C(C)=CC[C@@H]2c2ccccc2)c(O)c1 ZINC000014636832 291294154 /nfs/dbraw/zinc/29/41/54/291294154.db2.gz LYDZCXVWCFJAKQ-YZUZCNPQSA-N 0 0 406.522 6.012 1 0 biogenic,in-vitro HKAFRN CC1(C)CCc2cc([C@H]3CC(=O)c4c(O)c5c(cc4O3)OC(C)(C)CC5)ccc2O1 ZINC000014637370 291289459 /nfs/dbraw/zinc/28/94/59/291289459.db2.gz QSAGUVMYNHRPAW-LJQANCHMSA-N 0 0 408.494 5.306 1 0 biogenic,in-vitro HKAFRN CC(C)=CCC[C@]1(C)C=Cc2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O1 ZINC000014690564 291285247 /nfs/dbraw/zinc/28/52/47/291285247.db2.gz BVVVHQJFODXUQX-SQJMNOBHSA-N 0 0 422.477 5.421 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1cc(-c2coc3c4c(cc(=O)c-3c2O)OC(C)(C)C=C4)ccc1O ZINC000014692098 291287081 /nfs/dbraw/zinc/28/70/81/291287081.db2.gz ICIKOMSKEPJTII-UHFFFAOYSA-N 0 0 404.462 5.564 1 0 biogenic,in-vitro HKAFRN CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000014720211 571721372 /nfs/dbraw/zinc/72/13/72/571721372.db2.gz CJRZLPSJKBMUPM-PWXYNOGFSA-N 0 0 424.713 8.233 1 0 endogenous,in-man HKAFRN CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000014720213 571721514 /nfs/dbraw/zinc/72/15/14/571721514.db2.gz CJRZLPSJKBMUPM-IJROPTHZSA-N 0 0 424.713 8.233 1 0 endogenous,in-man HKAFRN CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000014720215 571721480 /nfs/dbraw/zinc/72/14/80/571721480.db2.gz CJRZLPSJKBMUPM-PUTJVUFMSA-N 0 0 424.713 8.233 1 0 endogenous,in-man HKAFRN CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000014720217 571721354 /nfs/dbraw/zinc/72/13/54/571721354.db2.gz CJRZLPSJKBMUPM-XOQZZAHOSA-N 0 0 424.713 8.233 1 0 endogenous,in-man HKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(O)cc1O ZINC000014727511 291287375 /nfs/dbraw/zinc/28/73/75/291287375.db2.gz IPNPAENNCXAVSJ-QHCPKHFHSA-N 0 0 424.493 5.233 1 0 HKAFRN CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@H](c1c(O)cccc1O)O2 ZINC000014727518 291285813 /nfs/dbraw/zinc/28/58/13/291285813.db2.gz ILTTZDSANMIMOU-HXUWFJFHSA-N 0 0 424.493 5.233 1 0 biogenic,in-vitro HKAFRN CC(C)=CCOc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1O)CC2=O ZINC000014762620 560225791 /nfs/dbraw/zinc/22/57/91/560225791.db2.gz SXRPAWKWQUYIOI-QHCPKHFHSA-N 0 0 424.493 5.364 1 0 in-vitro HKAFRN CC(C)=CCOc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)cc1O)CC2=O ZINC000014762622 560225786 /nfs/dbraw/zinc/22/57/86/560225786.db2.gz SXRPAWKWQUYIOI-HSZRJFAPSA-N 0 0 424.493 5.364 1 0 in-vitro HKAFRN Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C=C2 ZINC000014767643 291297436 /nfs/dbraw/zinc/29/74/36/291297436.db2.gz UGGWLEJOHZBWFT-DQCZWYHMSA-N 0 0 414.674 8.612 1 0 biogenic,in-vitro HKAFRN Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C=C2 ZINC000014767670 291297480 /nfs/dbraw/zinc/29/74/80/291297480.db2.gz BIXWVSLNTIFDQN-DQCZWYHMSA-N 0 0 414.674 8.612 1 0 biogenic,in-vitro HKAFRN Cc1cc2c(cc1O)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000014767681 571722503 /nfs/dbraw/zinc/72/25/03/571722503.db2.gz PZZKGQBMBVYPGR-LOYIFYEOSA-N 0 0 402.663 8.223 1 0 endogenous,in-man HKAFRN Cc1cc2c(cc1O)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000014767684 571722694 /nfs/dbraw/zinc/72/26/94/571722694.db2.gz PZZKGQBMBVYPGR-XXAUWVGASA-N 0 0 402.663 8.223 1 0 endogenous,in-man HKAFRN Cc1cc2c(cc1O)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000014767686 571722766 /nfs/dbraw/zinc/72/27/66/571722766.db2.gz PZZKGQBMBVYPGR-VHSZZVNMSA-N 0 0 402.663 8.223 1 0 endogenous,in-man HKAFRN Cc1cc2c(cc1O)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000014767689 571722568 /nfs/dbraw/zinc/72/25/68/571722568.db2.gz PZZKGQBMBVYPGR-BERHBOFZSA-N 0 0 402.663 8.223 1 0 endogenous,in-man HKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(C=O)c(O)cc(C)c2O1 ZINC000014767734 291283604 /nfs/dbraw/zinc/28/36/04/291283604.db2.gz VVUPQSRSJMZZQI-AFWXWVIGSA-N 0 0 424.625 7.796 1 0 biogenic,in-vitro HKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C=O)c(C)c2O1 ZINC000014767758 291283554 /nfs/dbraw/zinc/28/35/54/291283554.db2.gz YZVVWGKWMXQUIQ-AFWXWVIGSA-N 0 0 424.625 7.796 1 0 biogenic,in-vitro HKAFRN C[C@H]1C(=O)c2c3c(c4oc(=O)cc(-c5ccccc5)c4c2O[C@H]1C)C=CC(C)(C)O3 ZINC000014768068 291295859 /nfs/dbraw/zinc/29/58/59/291295859.db2.gz JCKXVEVCXNXGQW-KGLIPLIRSA-N 0 0 402.446 5.244 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@@H](c1ccc(O)cc1O)CC2=O ZINC000014780759 291287632 /nfs/dbraw/zinc/28/76/32/291287632.db2.gz KKTGOPZGAOCPHN-HSZRJFAPSA-N 0 0 408.494 5.527 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1c(O)ccc([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)c1O ZINC000014780891 291286371 /nfs/dbraw/zinc/28/63/71/291286371.db2.gz XQNULGVMJUJZML-HXUWFJFHSA-N 0 0 408.494 5.180 1 0 biogenic,in-vitro HKAFRN COc1cc(O)ccc1[C@@H]1COc2c(cc(CC=C(C)C)c(O)c2CC=C(C)C)C1=O ZINC000014780906 291294357 /nfs/dbraw/zinc/29/43/57/291294357.db2.gz YECSENDGXURKQA-QFIPXVFZSA-N 0 0 422.521 5.483 1 0 biogenic,in-vitro HKAFRN COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@]21O ZINC000014780994 291295416 /nfs/dbraw/zinc/29/54/16/291295416.db2.gz OOAXWUFECWLVEQ-IZZNHLLZSA-N 0 0 422.521 5.132 1 0 biogenic,in-vivo HKAFRN COc1ccc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)c(CC=C(C)C)c3OC[C@@]21O ZINC000014781030 291295586 /nfs/dbraw/zinc/29/55/86/291295586.db2.gz XOWMUIMFYAHWQD-IZZNHLLZSA-N 0 0 422.521 5.132 1 0 biogenic,in-vitro HKAFRN COc1c(CC=C(C)C)c(O)cc2c1-c1oc3cc(O)c(CC=C(C)C)cc3c1CO2 ZINC000014781059 291293589 /nfs/dbraw/zinc/29/35/89/291293589.db2.gz CBPFOSMNDISZLV-UHFFFAOYSA-N 0 0 420.505 6.429 1 0 biogenic,in-vitro HKAFRN CC1(C)C=Cc2cc(-c3coc4cc5c(c(=O)c-4c3O)C=CC(C)(C)O5)ccc2O1 ZINC000014825188 291288693 /nfs/dbraw/zinc/28/86/93/291288693.db2.gz IDCBSMFPUHMLOY-UHFFFAOYSA-N 0 0 402.446 5.534 1 0 biogenic,in-vitro HKAFRN CC1(C)C=Cc2cc(-c3coc4cc5c(c(=O)c-4c3O)C=CC(C)(C)O5)c(O)cc2O1 ZINC000014825190 291288703 /nfs/dbraw/zinc/28/87/03/291288703.db2.gz KFPMUQSSOONJHJ-UHFFFAOYSA-N 0 0 418.445 5.240 1 0 biogenic,in-vitro HKAFRN CC(/C=C/C=C(/C)[C@H]1C=C2[C@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C/C=C(\C)CCCO ZINC000014827105 571725586 /nfs/dbraw/zinc/72/55/86/571725586.db2.gz SMTGOURXPBLNQN-XRTACTOISA-N 0 0 412.614 5.975 1 0 endogenous,in-man HKAFRN CC(/C=C/C=C(/C)[C@@H]1C=C2[C@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C/C=C(\C)CCCO ZINC000014827107 571725413 /nfs/dbraw/zinc/72/54/13/571725413.db2.gz SMTGOURXPBLNQN-AMWAQFJUSA-N 0 0 412.614 5.975 1 0 endogenous,in-man HKAFRN CC(/C=C/C=C(/C)[C@H]1C=C2[C@@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C/C=C(\C)CCCO ZINC000014827109 571725414 /nfs/dbraw/zinc/72/54/14/571725414.db2.gz SMTGOURXPBLNQN-UDFCXBHXSA-N 0 0 412.614 5.975 1 0 endogenous,in-man HKAFRN CC(/C=C/C=C(/C)[C@@H]1C=C2[C@@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C/C=C(\C)CCCO ZINC000014827111 571725458 /nfs/dbraw/zinc/72/54/58/571725458.db2.gz SMTGOURXPBLNQN-FQRRRVFFSA-N 0 0 412.614 5.975 1 0 endogenous,in-man HKAFRN CC(C)=CC[C@H]1Cc2c(O)c3c(cc2OC1(C)C)O[C@H](c1c(O)cccc1O)CC3=O ZINC000014829219 291285389 /nfs/dbraw/zinc/28/53/89/291285389.db2.gz MSWKDNVOKYRGEP-XOBRGWDASA-N 0 0 424.493 5.196 1 0 biogenic,in-vitro HKAFRN O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000014945196 581098139 /nfs/dbraw/zinc/09/81/39/581098139.db2.gz HVLQSTLIXZZWIR-UHFFFAOYSA-N 0 0 411.383 5.260 1 0 HKAFRN CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)C[C@@H]3CC[C@@H](CO)C[C@H]23)c(O)c1 ZINC000014953198 560227701 /nfs/dbraw/zinc/22/77/01/560227701.db2.gz ZAELPWSCABXXAB-PBNKWJHMSA-N 0 0 402.619 5.903 1 0 in-vitro HKAFRN CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1CC ZINC000014954036 581095173 /nfs/dbraw/zinc/09/51/73/581095173.db2.gz SXUTWMUWKOLBDA-UHFFFAOYSA-N 0 0 402.454 5.004 1 0 HKAFRN CCn1c2ccc(-c3nc(-c4cccnc4)[nH]c3-c3cccc(C)c3)cc2n(CC)c1=O ZINC000014958517 581095836 /nfs/dbraw/zinc/09/58/36/581095836.db2.gz SZIMRDXGLARAFL-UHFFFAOYSA-N 0 0 423.520 5.270 1 0 HKAFRN Nc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962900 132460635 /nfs/dbraw/zinc/46/06/35/132460635.db2.gz WIQAOFODRZQKAO-UHFFFAOYSA-N 0 0 418.711 6.257 1 0 HKAFRN COc1ccccc1-c1ccc2c(c1)C(CSCc1ccccc1)=CC(C)(C)N2 ZINC000014968670 581099372 /nfs/dbraw/zinc/09/93/72/581099372.db2.gz MMEYJCDBDLRVJV-UHFFFAOYSA-N 0 0 401.575 6.883 1 0 HKAFRN COc1ccccc1-c1ccc2c(c1)C(CSc1ccc(Cl)cc1)=CC(C)(C)N2 ZINC000014968678 581100311 /nfs/dbraw/zinc/10/03/11/581100311.db2.gz DKLYGWOPRPJURQ-UHFFFAOYSA-N 0 0 421.993 7.395 1 0 HKAFRN COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCC1CCCCC1)=CC(C)(C)N2 ZINC000014968862 581100304 /nfs/dbraw/zinc/10/03/04/581100304.db2.gz ZWZZCNSUUOQZFI-HXUWFJFHSA-N 0 0 419.609 7.325 1 0 HKAFRN COc1ccccc1-c1ccc2c(c1)C([C@H](C)OCCC1CCCCC1)=CC(C)(C)N2 ZINC000014968864 581100319 /nfs/dbraw/zinc/10/03/19/581100319.db2.gz ZWZZCNSUUOQZFI-FQEVSTJZSA-N 0 0 419.609 7.325 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1cccc2ccccc21 ZINC000014970211 581092580 /nfs/dbraw/zinc/09/25/80/581092580.db2.gz FWLWRHKXDGEBTC-KZQOYIJHSA-N 0 0 424.519 6.254 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1coc2ccccc21 ZINC000014970215 581092503 /nfs/dbraw/zinc/09/25/03/581092503.db2.gz YJEUJRJKVSDUPL-RZFJZAQRSA-N 0 0 414.480 5.847 1 0 HKAFRN CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c1ncnc2N ZINC000014974490 581095382 /nfs/dbraw/zinc/09/53/82/581095382.db2.gz WZKXGCLWCGWQNQ-UHFFFAOYSA-N 0 0 404.952 5.013 1 0 HKAFRN O=C(CCCCCCCCCCc1c(O)cccc1O)c1c(O)cc(O)cc1O ZINC000015113879 291298376 /nfs/dbraw/zinc/29/83/76/291298376.db2.gz FYQJQTJFCKNRBH-UHFFFAOYSA-N 0 0 402.487 5.151 1 0 biogenic,in-vitro HKAFRN COc1cc(O)c(C(=O)CCCCCCCCCCc2c(O)cccc2O)c(O)c1 ZINC000015113883 291294147 /nfs/dbraw/zinc/29/41/47/291294147.db2.gz JLRAGNLAEWIHBK-UHFFFAOYSA-N 0 0 416.514 5.454 1 0 biogenic,in-vitro HKAFRN CC[C@H](C)C(=O)OCCCc1cc2cc(-c3ccc4c(c3)OCO4)oc2c(OC)c1 ZINC000015149516 560228949 /nfs/dbraw/zinc/22/89/49/560228949.db2.gz MGCSMWCSVJYFBV-HNNXBMFYSA-N 0 0 410.466 5.359 1 0 in-vitro HKAFRN CC(/C=C/C=C(/C)[C@H]1C=C2[C@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C\C=C(C)\C=C\CO ZINC000015156993 574413824 /nfs/dbraw/zinc/41/38/24/574413824.db2.gz OOJOUQLXWXASLN-OCGXTIKHSA-N 0 0 410.598 5.751 1 0 endogenous,in-man HKAFRN CC(/C=C/C=C(/C)[C@@H]1C=C2[C@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C\C=C(C)\C=C\CO ZINC000015156994 574413825 /nfs/dbraw/zinc/41/38/25/574413825.db2.gz OOJOUQLXWXASLN-JZVMQKPUSA-N 0 0 410.598 5.751 1 0 endogenous,in-man HKAFRN CC(/C=C/C=C(/C)[C@H]1C=C2[C@@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C\C=C(C)\C=C\CO ZINC000015156995 574413828 /nfs/dbraw/zinc/41/38/28/574413828.db2.gz OOJOUQLXWXASLN-NSPUYVLJSA-N 0 0 410.598 5.751 1 0 endogenous,in-man HKAFRN CC(/C=C/C=C(/C)[C@@H]1C=C2[C@@](C)(C[C@@H](O)CC2(C)C)O1)=C\C=C\C=C(C)\C=C\CO ZINC000015156996 574413816 /nfs/dbraw/zinc/41/38/16/574413816.db2.gz OOJOUQLXWXASLN-OEAITVNYSA-N 0 0 410.598 5.751 1 0 endogenous,in-man HKAFRN COc1ccc2c(c1CC=C(C)C)O[C@H]1c3cc4c(cc3OC[C@@]21O)OC(C)(C)C=C4 ZINC000015203525 291295400 /nfs/dbraw/zinc/29/54/00/291295400.db2.gz KSXMILLEKYOTIP-AZGAKELHSA-N 0 0 420.505 5.102 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1c2c(cc3c(=O)c(Oc4ccc(O)cc4O)coc31)C=CC(C)(C)O2 ZINC000015204419 291286720 /nfs/dbraw/zinc/28/67/20/291286720.db2.gz JRLYIMPHEWEJIU-UHFFFAOYSA-N 0 0 420.461 5.689 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc3c(c1)CCC(C)(C)O3)CC2=O ZINC000015205964 291285974 /nfs/dbraw/zinc/28/59/74/291285974.db2.gz UUJGHXKKHDPLPR-QFIPXVFZSA-N 0 0 408.494 5.417 1 0 biogenic,in-vitro HKAFRN C/C=C(\C)c1cc(O)c(C)c(OC(=O)c2c(O)c(C)c(O)c(Cl)c2/C(C)=C/C)c1 ZINC000015265761 291281099 /nfs/dbraw/zinc/28/10/99/291281099.db2.gz AEQBAXLIEJZXPN-MKICQXMISA-N 0 0 416.901 6.139 1 0 biogenic,in-vitro HKAFRN O=C(/C=C\C=C/CCCCCCCCCCCCCCCCCO)N1CCCCC1 ZINC000015266872 291298388 /nfs/dbraw/zinc/29/83/88/291298388.db2.gz PRNFXRJMEAUSFT-QBTJJOFXSA-N 0 0 419.694 7.345 1 0 biogenic,in-vitro HKAFRN COC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1 ZINC000016052742 581097630 /nfs/dbraw/zinc/09/76/30/581097630.db2.gz ACGBFWCBVIXTPZ-UHFFFAOYSA-N 0 0 420.488 5.170 1 0 in-vitro HKAFRN CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000025970800 132488236 /nfs/dbraw/zinc/48/82/36/132488236.db2.gz ZSEKXVQZKGHIJX-UHFFFAOYSA-N 0 0 409.555 5.304 1 0 HKAFRN C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@](C)(CO)CCC[C@@]13C ZINC000025992476 291297135 /nfs/dbraw/zinc/29/71/35/291297135.db2.gz CFPMRJFTBKYCRR-MRGZRTBESA-N 0 0 424.581 5.186 1 0 biogenic,in-vitro HKAFRN COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC1CCCC1 ZINC000026153727 132488430 /nfs/dbraw/zinc/48/84/30/132488430.db2.gz CMEUONJHZIAWNP-VXKWHMMOSA-N 0 0 416.521 5.350 1 0 HKAFRN Cc1cc(F)ccc1-c1cc(N(C(N)=O)c2c(Cl)cccc2Cl)ccc1CO ZINC000026169834 581092843 /nfs/dbraw/zinc/09/28/43/581092843.db2.gz QUARCUJRRQAKKF-UHFFFAOYSA-N 0 0 419.283 5.817 1 0 HKAFRN COc1cccc2c1-c1ccc(NC(=O)c3ccccc3)cc1[C@H](c1ccccc1)O2 ZINC000026172460 581100303 /nfs/dbraw/zinc/10/03/03/581100303.db2.gz PXHYGRHGHRJFOI-SANMLTNESA-N 0 0 407.469 6.096 1 0 HKAFRN COc1cccc2c1-c1ccc(NC(=O)c3ccccc3)cc1[C@@H](c1ccccc1)O2 ZINC000026172464 581100260 /nfs/dbraw/zinc/10/02/60/581100260.db2.gz PXHYGRHGHRJFOI-AREMUKBSSA-N 0 0 407.469 6.096 1 0 HKAFRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000026259145 291292528 /nfs/dbraw/zinc/29/25/28/291292528.db2.gz HCXVJBMSMIARIN-DHTNLUHNSA-N 0 0 412.702 7.801 1 0 biogenic,in-vitro HKAFRN CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C ZINC000026485077 581091943 /nfs/dbraw/zinc/09/19/43/581091943.db2.gz NSUUUQRFPXZFLI-YRSNSFNISA-N 0 0 414.589 5.724 1 0 in-vivo HKAFRN CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C ZINC000026485084 581091910 /nfs/dbraw/zinc/09/19/10/581091910.db2.gz NSUUUQRFPXZFLI-SNISVVCQSA-N 0 0 414.589 5.724 1 0 in-vivo HKAFRN CC#C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C ZINC000026485090 581091946 /nfs/dbraw/zinc/09/19/46/581091946.db2.gz NSUUUQRFPXZFLI-ZEWLDFFUSA-N 0 0 414.589 5.724 1 0 in-vivo HKAFRN CCCCC/C(=C\C=C\C(=O)N[C@@H](C)CCCc1cccnc1)c1ccc(OC)cc1 ZINC000026728755 571304309 /nfs/dbraw/zinc/30/43/09/571304309.db2.gz HLCHRSFXEXAMLU-JFIFMDGXSA-N 0 0 420.597 6.138 1 0 HKAFRN CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000027099273 132490620 /nfs/dbraw/zinc/49/06/20/132490620.db2.gz XBTFKEVZITXNIQ-OSPHWJPCSA-N 0 0 418.924 5.873 1 0 HKAFRN CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000027099278 132490653 /nfs/dbraw/zinc/49/06/53/132490653.db2.gz XBTFKEVZITXNIQ-XDHUDOTRSA-N 0 0 418.924 5.873 1 0 HKAFRN CC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@H](Cc1ccccc1)CCCCCC2 ZINC000027520581 581095293 /nfs/dbraw/zinc/09/52/93/581095293.db2.gz QEYQUQCTTUQQLK-GOTSBHOMSA-N 0 0 416.561 6.720 1 0 HKAFRN CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@H](Cc1ccccc1)CCCCCC2 ZINC000027520583 581095383 /nfs/dbraw/zinc/09/53/83/581095383.db2.gz QEYQUQCTTUQQLK-XZOQPEGZSA-N 0 0 416.561 6.720 1 0 HKAFRN CC[C@@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@@H](Cc1ccccc1)CCCCCC2 ZINC000027520585 581095302 /nfs/dbraw/zinc/09/53/02/581095302.db2.gz QEYQUQCTTUQQLK-PKTZIBPZSA-N 0 0 416.561 6.720 1 0 HKAFRN CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)[C@@H](Cc1ccccc1)CCCCCC2 ZINC000027520587 581095377 /nfs/dbraw/zinc/09/53/77/581095377.db2.gz QEYQUQCTTUQQLK-DHIUTWEWSA-N 0 0 416.561 6.720 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)CCc1ccccc1 ZINC000028392598 581092571 /nfs/dbraw/zinc/09/25/71/581092571.db2.gz HEWIVYFAXYIWTQ-STXQHDJLSA-N 0 0 416.540 5.751 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)CCc1ccccc1 ZINC000028392604 581092598 /nfs/dbraw/zinc/09/25/98/581092598.db2.gz HEWIVYFAXYIWTQ-IEUSDUHPSA-N 0 0 416.540 5.751 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)nc1 ZINC000028522216 581092480 /nfs/dbraw/zinc/09/24/80/581092480.db2.gz DHWWHGHZBWODEZ-HUVFLSCGSA-N 0 0 407.464 5.025 1 0 HKAFRN CC(C)N(Cc1cccc2c1OC(C)(C)C=C2)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000028523756 581097551 /nfs/dbraw/zinc/09/75/51/581097551.db2.gz CFKNGULBDDHDNU-UHFFFAOYSA-N 0 0 411.545 6.589 1 0 HKAFRN Cn1cncc1[C@@](O)(c1ccccc1)c1ccc2ccn(-c3cccc(Cl)c3)c2c1 ZINC000028524227 581099886 /nfs/dbraw/zinc/09/98/86/581099886.db2.gz YDTKMDKWRXTVCZ-RUZDIDTESA-N 0 0 413.908 5.302 1 0 HKAFRN Cn1cncc1[C@](O)(c1ccccc1)c1ccc2ccn(-c3cccc(Cl)c3)c2c1 ZINC000028524228 581100042 /nfs/dbraw/zinc/10/00/42/581100042.db2.gz YDTKMDKWRXTVCZ-VWLOTQADSA-N 0 0 413.908 5.302 1 0 HKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]21OC[C@@H](c2ccccc2)O1 ZINC000028524358 581092547 /nfs/dbraw/zinc/09/25/47/581092547.db2.gz XNIUAXSBXHRMHT-CCDWMCETSA-N 0 0 402.469 5.235 1 0 HKAFRN C/C=C/[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1/C=C/C ZINC000028524470 581097938 /nfs/dbraw/zinc/09/79/38/581097938.db2.gz GBMRMFBARKDYCH-NWRURMIOSA-N 0 0 406.501 5.384 1 0 HKAFRN Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2ccccn2)n1 ZINC000028526265 581093069 /nfs/dbraw/zinc/09/30/69/581093069.db2.gz PIAZOALCQHNNTA-UHFFFAOYSA-N 0 0 414.843 5.374 1 0 HKAFRN CCCCCOc1cc2ccccc2cc1[C@@H](O)CCCCCCCC(=O)OC ZINC000028527641 581097182 /nfs/dbraw/zinc/09/71/82/581097182.db2.gz SDYGVCKEVRKYCO-QHCPKHFHSA-N 0 0 400.559 6.346 1 0 HKAFRN CCCCCOc1cc2ccccc2cc1[C@H](O)CCCCCCCC(=O)OC ZINC000028527642 581097024 /nfs/dbraw/zinc/09/70/24/581097024.db2.gz SDYGVCKEVRKYCO-HSZRJFAPSA-N 0 0 400.559 6.346 1 0 HKAFRN CCCCCC12CCC(c3nnc(-c4ccccc4C(F)(F)F)n3C)(CC1)CC2 ZINC000028530985 581091744 /nfs/dbraw/zinc/09/17/44/581091744.db2.gz VPHWCVUMWQOWOK-UHFFFAOYSA-N 0 0 405.508 6.673 1 0 HKAFRN Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c21 ZINC000028703855 581096590 /nfs/dbraw/zinc/09/65/90/581096590.db2.gz ZLXJAJNITGVWDS-UHFFFAOYSA-N 0 0 410.502 6.343 1 0 HKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc2ccccc2c1)C(F)(F)F ZINC000028862450 581100277 /nfs/dbraw/zinc/10/02/77/581100277.db2.gz MHSIIOXPCQMXQE-QHCPKHFHSA-N 0 0 420.446 6.191 1 0 HKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc2ccccc2c1)C(F)(F)F ZINC000028862452 581100224 /nfs/dbraw/zinc/10/02/24/581100224.db2.gz MHSIIOXPCQMXQE-HSZRJFAPSA-N 0 0 420.446 6.191 1 0 HKAFRN CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ccc(Cl)cn4)c3c2)cc1 ZINC000028957611 581098478 /nfs/dbraw/zinc/09/84/78/581098478.db2.gz RBEBLPVBJDMKCE-UHFFFAOYSA-N 0 0 424.913 5.065 1 0 HKAFRN CC(C)CNC(=S)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12 ZINC000029037462 535168577 /nfs/dbraw/zinc/16/85/77/535168577.db2.gz CCHXLIAEZCTVBK-LAUBAEHRSA-N 0 0 415.990 5.276 1 0 HKAFRN CC(C)(c1cc2cccnc2c(-c2cccc(-c3cccnc3)c2)c1)S(C)(=O)=O ZINC000029037749 581091789 /nfs/dbraw/zinc/09/17/89/581091789.db2.gz FLOHHFDEWSPOAZ-UHFFFAOYSA-N 0 0 402.519 5.244 1 0 HKAFRN CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccncc3)c2)c1)S(C)(=O)=O ZINC000029037752 581091759 /nfs/dbraw/zinc/09/17/59/581091759.db2.gz MZEUFXJDMMSPCB-UHFFFAOYSA-N 0 0 402.519 5.244 1 0 HKAFRN COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3c(ccc(O)c3CC=C(C)C)[C@@H]1CO2 ZINC000029042092 291293586 /nfs/dbraw/zinc/29/35/86/291293586.db2.gz SHSISVOIQZYVQR-AFMDSPMNSA-N 0 0 422.521 5.734 1 0 biogenic,in-vitro HKAFRN O=C1[C@H](O)Cc2c(-c3ccccc3Cl)cccc2N1c1c(Cl)cccc1Cl ZINC000029125813 132495013 /nfs/dbraw/zinc/49/50/13/132495013.db2.gz UMCJNDGRCSMBAA-LJQANCHMSA-N 0 0 418.707 5.896 1 0 HKAFRN CC(C)(C)Cn1cnc2ccc(-c3nc(C(C)(C)C)[nH]c3-c3ccc(F)cc3F)nc21 ZINC000029131519 581095362 /nfs/dbraw/zinc/09/53/62/581095362.db2.gz JGJVCJKVGPBNRU-UHFFFAOYSA-N 0 0 423.511 6.110 1 0 HKAFRN O=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ncnc4[nH]ccc43)ccc21 ZINC000029134929 581098073 /nfs/dbraw/zinc/09/80/73/581098073.db2.gz DKFRNJGEESDBNS-UHFFFAOYSA-N 0 0 414.852 5.809 1 0 HKAFRN COc1cccc2c1-c1ccc3c(c1[C@H](CC1=CCCCC1)O2)C(C)=CC(C)(C)N3 ZINC000029417489 581100187 /nfs/dbraw/zinc/10/01/87/581100187.db2.gz 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endogenous,in-man HKAFRN CC(C)CCC[C@@](C)(O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040164534 574414556 /nfs/dbraw/zinc/41/45/56/574414556.db2.gz PRZXKPDANWDCNC-FWJDAGNYSA-N 0 0 418.662 5.619 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000040164551 574414569 /nfs/dbraw/zinc/41/45/69/574414569.db2.gz HHVQPBXBALLUDF-RSYLUPHDSA-N 0 0 418.662 5.618 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000040164555 574414558 /nfs/dbraw/zinc/41/45/58/574414558.db2.gz HHVQPBXBALLUDF-MUHZUVOISA-N 0 0 418.662 5.618 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040165381 574414612 /nfs/dbraw/zinc/41/46/12/574414612.db2.gz LMYZQUNLYGJIHI-FVJILWHASA-N 0 0 400.691 7.635 1 0 endogenous,in-man HKAFRN CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040165394 574414610 /nfs/dbraw/zinc/41/46/10/574414610.db2.gz IOWMKBFJCNLRTC-SJIUKTLUSA-N 0 0 402.663 6.360 1 0 endogenous,in-man HKAFRN CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040165395 574414625 /nfs/dbraw/zinc/41/46/25/574414625.db2.gz ZNCHPOYZMVVJCK-XSMVKVBQSA-N 0 0 418.662 5.330 1 0 endogenous,in-man HKAFRN CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040165396 571760724 /nfs/dbraw/zinc/76/07/24/571760724.db2.gz ZNCHPOYZMVVJCK-DIPBILQQSA-N 0 0 418.662 5.330 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000040165451 574414613 /nfs/dbraw/zinc/41/46/13/574414613.db2.gz XGIZPVUTLMXXTK-PBIAUGEVSA-N 0 0 416.690 6.894 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000040165455 574414631 /nfs/dbraw/zinc/41/46/31/574414631.db2.gz FMFAICDKESPFNH-NGUKQJDXSA-N 0 0 414.674 6.814 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000040165458 574414633 /nfs/dbraw/zinc/41/46/33/574414633.db2.gz DDJMOMHMVFXEQF-PPPSAVNNSA-N 0 0 400.691 7.923 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 ZINC000040165501 574414658 /nfs/dbraw/zinc/41/46/58/574414658.db2.gz ORZKEIGPXNMCHC-HFSHLDMRSA-N 0 0 414.674 6.671 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@H](CO)[C@@H]1CC3 ZINC000040165506 574414650 /nfs/dbraw/zinc/41/46/50/574414650.db2.gz UPEGTKGKNWDIAN-HFSHLDMRSA-N 0 0 416.690 6.751 1 0 endogenous,in-man HKAFRN Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Nc3ccc4ccccc4c3)c2c1 ZINC000040391998 581091355 /nfs/dbraw/zinc/09/13/55/581091355.db2.gz YZXHBUHLBUXXLU-UHFFFAOYSA-N 0 0 403.485 6.319 1 0 HKAFRN Oc1ccc2cc1Oc1ccc(cc1)CCc1cccc(c1)Oc1c(O)cccc1CC2 ZINC000040393727 291299289 /nfs/dbraw/zinc/29/92/89/291299289.db2.gz NTXTVDLVUWOMKO-UHFFFAOYSA-N 0 0 424.496 6.566 1 0 biogenic,in-vitro HKAFRN Cc1c2ccoc2cc2c1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000040421861 291297455 /nfs/dbraw/zinc/29/74/55/291297455.db2.gz IEHCQOHUOBIHHN-XSBVVTFOSA-N 0 0 418.533 5.722 1 0 biogenic,in-vitro HKAFRN Cc1ccccc1-c1nncc2cc(-c3c4onc(NC5CC5)c4ccc3C)ccc21 ZINC000040431185 581092047 /nfs/dbraw/zinc/09/20/47/581092047.db2.gz PQVHRPXGPBDRRS-UHFFFAOYSA-N 0 0 406.489 6.296 1 0 HKAFRN Cc1cc2c(cc1Cl)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000040898973 581092456 /nfs/dbraw/zinc/09/24/56/581092456.db2.gz WNODPKRHMJHRHJ-UHFFFAOYSA-N 0 0 402.910 6.612 1 0 HKAFRN Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)cc(-c3cccs3)oc2c1 ZINC000040974804 581092807 /nfs/dbraw/zinc/09/28/07/581092807.db2.gz FXJGLLMTMNAACI-UHFFFAOYSA-N 0 0 401.487 5.389 1 0 HKAFRN CS(=O)(=O)c1ccc(-c2cnc(CC3CCCCC3)nc2-c2ccc(F)cc2)cc1 ZINC000043010595 581099687 /nfs/dbraw/zinc/09/96/87/581099687.db2.gz KSCDBBDAERUVEP-UHFFFAOYSA-N 0 0 424.541 5.476 1 0 HKAFRN CS(=O)(=O)c1ccc(-c2cnc(Nc3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000043014055 581099649 /nfs/dbraw/zinc/09/96/49/581099649.db2.gz VOUVVXFHPYNZOA-UHFFFAOYSA-N 0 0 419.481 5.097 1 0 HKAFRN CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1cccc(F)c1 ZINC000043073567 581096531 /nfs/dbraw/zinc/09/65/31/581096531.db2.gz JNWABOCNQRJLAV-JOCHJYFZSA-N 0 0 416.456 5.240 1 0 HKAFRN CC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1cccc(F)c1 ZINC000043073570 581096540 /nfs/dbraw/zinc/09/65/40/581096540.db2.gz JNWABOCNQRJLAV-QFIPXVFZSA-N 0 0 416.456 5.240 1 0 HKAFRN Cc1cccc(C)c1/C=C/n1cnc2c1ncnc2Nc1ccc(P(C)(C)=O)cc1 ZINC000043199744 581091283 /nfs/dbraw/zinc/09/12/83/581091283.db2.gz RFSFIDGEFVXSQM-OUKQBFOZSA-N 0 0 417.453 5.063 1 0 HKAFRN C[C@@](O)(C1CCCCC1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C ZINC000043208663 581092474 /nfs/dbraw/zinc/09/24/74/581092474.db2.gz VKMOUZMRRMPZAB-AYRHNUGRSA-N 0 0 408.561 6.224 1 0 HKAFRN Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C ZINC000045253125 581093714 /nfs/dbraw/zinc/09/37/14/581093714.db2.gz UUGJKSUOOIUEHL-TUSQITKMSA-N 0 0 422.569 6.170 1 0 HKAFRN Cc1ccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)s1 ZINC000045285452 581092612 /nfs/dbraw/zinc/09/26/12/581092612.db2.gz ZDVQXHDMHSUXJJ-TUSQITKMSA-N 0 0 422.569 6.170 1 0 HKAFRN C[C@@](O)(C1CCOCC1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C ZINC000045287750 581092496 /nfs/dbraw/zinc/09/24/96/581092496.db2.gz XIEBKQNZRFBICJ-ZKMPZPQNSA-N 0 0 410.533 5.070 1 0 HKAFRN C[C@@H](Oc1ccc2ncc(/C=C/C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000045364172 581095821 /nfs/dbraw/zinc/09/58/21/581095821.db2.gz OIOZTIQUNWLFQV-HVUAZKLTSA-N 0 0 405.256 5.319 1 0 HKAFRN C[C@@H](Oc1ccc2ncc([C@@H]3C[C@@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000045373204 581095852 /nfs/dbraw/zinc/09/58/52/581095852.db2.gz QACCVOJRKKIYFM-ONERCXAPSA-N 0 0 419.283 5.410 1 0 HKAFRN C[C@@H](Oc1ccc2ncc([C@H]3C[C@@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000045373208 581095802 /nfs/dbraw/zinc/09/58/02/581095802.db2.gz QACCVOJRKKIYFM-KMUNFCNLSA-N 0 0 419.283 5.410 1 0 HKAFRN C[C@@H](Oc1ccc2ncc([C@@H]3C[C@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000045373211 581095848 /nfs/dbraw/zinc/09/58/48/581095848.db2.gz QACCVOJRKKIYFM-WKPIXPDZSA-N 0 0 419.283 5.410 1 0 HKAFRN C[C@@H](Oc1ccc2ncc([C@H]3C[C@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000045373215 581095813 /nfs/dbraw/zinc/09/58/13/581095813.db2.gz QACCVOJRKKIYFM-VCTAVGKDSA-N 0 0 419.283 5.410 1 0 HKAFRN CCn1cc(-c2ccnc3[nH]ccc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049067237 581096314 /nfs/dbraw/zinc/09/63/14/581096314.db2.gz CZVVMRNEBRFYTL-UHFFFAOYSA-N 0 0 422.492 5.757 1 0 HKAFRN O[C@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccnc(Cl)c1)C(F)(F)F ZINC000049071271 581101796 /nfs/dbraw/zinc/10/17/96/581101796.db2.gz HOMRLSWXGFQYGM-LJQANCHMSA-N 0 0 421.781 5.011 1 0 HKAFRN O[C@@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccnc(Cl)c1)C(F)(F)F ZINC000049071273 581101832 /nfs/dbraw/zinc/10/18/32/581101832.db2.gz HOMRLSWXGFQYGM-IBGZPJMESA-N 0 0 421.781 5.011 1 0 HKAFRN FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](Cn3cncn3)CC[C@H]1[C@H](c1ccccc1)N2 ZINC000049112518 581098403 /nfs/dbraw/zinc/09/84/03/581098403.db2.gz INUKTASUMGDABV-SEONNTABSA-N 0 0 414.431 5.000 1 0 HKAFRN CSc1nc2ccc(NC/C=C/c3ccccc3)cc2c(=O)n1Cc1ccccc1 ZINC000049125937 581096213 /nfs/dbraw/zinc/09/62/13/581096213.db2.gz VMIJGQFUANOIAC-MDWZMJQESA-N 0 0 413.546 5.292 1 0 HKAFRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H]1C ZINC000059586286 291295881 /nfs/dbraw/zinc/29/58/81/291295881.db2.gz JUMCLWDAFILWKD-KAQIMRSASA-N 0 0 424.713 8.233 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1c(O)c(C=CC(C)C)c(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O ZINC000059587549 291285757 /nfs/dbraw/zinc/28/57/57/291285757.db2.gz XCIRMVJXNNMDAI-FERLCFGISA-N 0 0 424.493 5.393 1 0 biogenic,in-vitro HKAFRN CCC[C@@H]1C[C@@H](CCc2ccc(O)c(OC)c2)O[C@H](/C=C(/C)CCC=C(C)C)O1 ZINC000059588614 291292407 /nfs/dbraw/zinc/29/24/07/291292407.db2.gz WJMAMCWCNHAOTC-GHLZWAJWSA-N 0 0 402.575 6.326 1 0 biogenic,in-vitro HKAFRN CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(cc2O1)OC[C@@H](c1ccc(O)cc1O)C3=O ZINC000059729244 291285236 /nfs/dbraw/zinc/28/52/36/291285236.db2.gz CSZKAJDXUNNJKV-AVRWGWEMSA-N 0 0 422.477 5.073 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c2c1OC(C)(C)C=C2 ZINC000059777472 291287352 /nfs/dbraw/zinc/28/73/52/291287352.db2.gz MKFGDBFFGQCOGU-FQEVSTJZSA-N 0 0 422.477 5.203 1 0 biogenic,in-vitro HKAFRN CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@H]12 ZINC000059779670 291288720 /nfs/dbraw/zinc/28/87/20/291288720.db2.gz NIALLGCBSYYMNQ-GFZHKUMGSA-N 0 0 410.730 9.198 1 0 biogenic,in-vitro HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000064220350 574415363 /nfs/dbraw/zinc/41/53/63/574415363.db2.gz DDJMOMHMVFXEQF-VONQUIIOSA-N 0 0 400.691 7.923 1 0 endogenous,in-man HKAFRN CC(C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@](C)([C@@H]4CC[C@@H](O)C(C)(C)[C@H]4C)[C@H](C)[C@@]3(C)CC[C@]12C ZINC000069481987 291288482 /nfs/dbraw/zinc/28/84/82/291288482.db2.gz BICHKMMUIQBJJU-KTIPYDGZSA-N 0 0 416.734 7.961 1 0 biogenic,in-vitro HKAFRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C ZINC000069482076 291296552 /nfs/dbraw/zinc/29/65/52/291296552.db2.gz JUMCLWDAFILWKD-GGVOOLGXSA-N 0 0 424.713 8.233 1 0 biogenic,in-vitro HKAFRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000069482292 290695233 /nfs/dbraw/zinc/69/52/33/290695233.db2.gz SGNBVLSWZMBQTH-KWNYUGHLSA-N 0 0 400.691 7.635 1 0 biogenic,in-vitro HKAFRN CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C ZINC000069482497 560078327 /nfs/dbraw/zinc/07/83/27/560078327.db2.gz KZJWDPNRJALLNS-RBPJTRMESA-N 0 0 414.718 8.025 1 0 biogenic,in-vitro HKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@@H]5C(C)(C)CCC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000070451137 291289480 /nfs/dbraw/zinc/28/94/80/291289480.db2.gz GAYMPSVFXABRFZ-RDDAHLCPSA-N 0 0 410.730 9.198 1 0 biogenic,in-vitro HKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CCCC(C)(C)[C@H]1CC4 ZINC000070451138 291289445 /nfs/dbraw/zinc/28/94/45/291289445.db2.gz ZJFCFQZUMBQPHL-KVRAXFESSA-N 0 0 410.730 9.342 1 0 biogenic,in-vitro HKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000070451139 291289438 /nfs/dbraw/zinc/28/94/38/291289438.db2.gz DLEIYVDJTDXZOP-VZVIALHLSA-N 0 0 410.730 9.198 1 0 biogenic,in-vitro HKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@@]3(C)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000080123622 291289112 /nfs/dbraw/zinc/28/91/12/291289112.db2.gz OOVSUFZRKGCLKQ-RBXQBWMISA-N 0 0 408.714 9.118 1 0 biogenic,in-vitro HKAFRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000084153853 291295863 /nfs/dbraw/zinc/29/58/63/291295863.db2.gz DIFWJJFSELKWGA-JGQMTTETSA-N 0 0 424.713 8.233 1 0 biogenic,in-vitro HKAFRN CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000084154611 291288476 /nfs/dbraw/zinc/28/84/76/291288476.db2.gz NQIUPAJMEMKVPU-IBNURMDSSA-N 0 0 424.713 8.377 1 0 biogenic,in-vitro HKAFRN CCCCC[C@H](O)/C=C/C=C/[C@H](CCC[C@@H](CCC(=O)[O-])CCC(C)C)C[NH2+]C ZINC000085491011 291292014 /nfs/dbraw/zinc/29/20/14/291292014.db2.gz BKMFGLMMBZOPSA-VPRLQUPJSA-N 0 0 409.655 5.963 1 0 biogenic,in-vitro HKAFRN CCCCC[C@@H](O)/C=C\CCCC[C@H](CC[NH3+])[C@H](CCc1ccccc1)CC(=O)[O-] ZINC000085505845 291291813 /nfs/dbraw/zinc/29/18/13/291291813.db2.gz OAKLHQCYJTXQSN-FRFCJJSVSA-N 0 0 417.634 5.733 1 0 biogenic,in-vitro HKAFRN CC(C)CCC[C@H](C)[C@@]1(C)CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000085508546 291288097 /nfs/dbraw/zinc/28/80/97/291288097.db2.gz JNXBUFKGYNEMCS-CYRNYSNBSA-N 0 0 416.690 6.750 1 0 biogenic,in-vitro HKAFRN CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CCCC(C)(C)[C@@H]1CC3 ZINC000085509487 291288478 /nfs/dbraw/zinc/28/84/78/291288478.db2.gz FQCKEVJQPWDRQG-CXJLZJCISA-N 0 0 410.730 9.198 1 0 biogenic,in-vitro HKAFRN C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@H]2CCC[C@H]3Cc2cc(O)cc(Cc3ccccc3)c2)C1 ZINC000085543585 291296173 /nfs/dbraw/zinc/29/61/73/291296173.db2.gz AFAPWEJYWCQFHU-RHUOLTODSA-N 0 0 414.633 7.714 1 0 biogenic,in-vitro HKAFRN C[C@H]1CC=C[C@](C)([C@@H]2C[C@H](Cc3cc(O)cc(CCCO)c3)CC3(CCCC3)C2)C1 ZINC000085543624 291296214 /nfs/dbraw/zinc/29/62/14/291296214.db2.gz WAVVAHNLJRLTOM-CIMCOABOSA-N 0 0 410.642 6.829 1 0 biogenic,in-vitro HKAFRN CCCCC[C@H](CO)c1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543627 291291771 /nfs/dbraw/zinc/29/17/71/291291771.db2.gz KRNHLAGJQXRKBU-PDIXWUFNSA-N 0 0 412.658 7.390 1 0 biogenic,in-vitro HKAFRN CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@@]3(C)CC1=CCC2=C1[C@@]41C=C[C@]3(CCC[C@@]34CN41)C2 ZINC000085548121 291290032 /nfs/dbraw/zinc/29/00/32/291290032.db2.gz QAODPFWMQBRVFP-JBLPOJJBSA-N 0 0 411.633 6.877 1 0 biogenic,in-vitro HKAFRN CCC/C=C1\OC(=O)C2=C[C@H]3CC[C@]21[C@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571248 291290564 /nfs/dbraw/zinc/29/05/64/291290564.db2.gz VPEHIGFAAWYYPW-FZUNOCHKSA-N 0 0 406.522 5.517 1 0 biogenic,in-vitro HKAFRN C/C=C(\C)C(=O)O[C@@](C)(CC1CCCCC1)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594695 291281074 /nfs/dbraw/zinc/28/10/74/291281074.db2.gz JDNYBHFWAQXRBT-DUONOKDGSA-N 0 0 410.510 5.335 1 0 biogenic,in-vitro HKAFRN COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2ccccc2)cc1OC ZINC000085596235 291295432 /nfs/dbraw/zinc/29/54/32/291295432.db2.gz TVLKESAXHGDMCQ-QHCPKHFHSA-N 0 0 412.570 5.540 1 0 biogenic,in-vitro HKAFRN CC(C)C1=C(c2c[nH]c3ccccc32)[C@@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1 ZINC000085596838 291287611 /nfs/dbraw/zinc/28/76/11/291287611.db2.gz GVGMWTZTHQRHRE-GSJQUQQQSA-N 0 0 421.625 6.172 1 0 HKAFRN Cc1cc2[nH]c3ccccc3c2c2c1CC[C@@]13[C@@H](O)CC[C@@H](C)[C@]1(C)[C@H](O)C[C@@H](C)[C@@H]23 ZINC000085598149 291297611 /nfs/dbraw/zinc/29/76/11/291297611.db2.gz CXQOHHTZVIKVEM-KOOUEZQKSA-N 0 0 417.593 5.844 1 0 HKAFRN CCCCC[C@H](CCCC)[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O ZINC000085624748 291291824 /nfs/dbraw/zinc/29/18/24/291291824.db2.gz CABQQMKYOHAMAC-REWPJTCUSA-N 0 0 406.563 5.611 1 0 biogenic,in-vitro HKAFRN COc1cc(CCC(O)=CC(=O)CCC[C@@H]2C=Cc3c(O)cccc3CC2)ccc1O ZINC000085627117 291293837 /nfs/dbraw/zinc/29/38/37/291293837.db2.gz ULHYWYBEDKFDRM-SFHVURJKSA-N 0 0 422.521 5.013 1 0 biogenic,in-vitro HKAFRN O=C(C=C(O)CCc1ccc(O)c2c1CCCO2)CCCCCCc1cccc(O)c1 ZINC000085627136 291298390 /nfs/dbraw/zinc/29/83/90/291298390.db2.gz HQAOUXRXGLTMOX-UHFFFAOYSA-N 0 0 424.537 5.077 1 0 biogenic,in-vitro HKAFRN CCCC[C@H]1CC[C@](CCc2ccc(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@H]1O ZINC000085627618 291292411 /nfs/dbraw/zinc/29/24/11/291292411.db2.gz AODKBWKXEGJSHL-ZWSUVBHBSA-N 0 0 418.574 5.299 1 0 biogenic,in-vitro HKAFRN CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c2c1CC[C@@H]1CCC[C@@H]1O2)OC(C)=O ZINC000085627692 291292015 /nfs/dbraw/zinc/29/20/15/291292015.db2.gz KZNRSMJFGRHLFU-JCUDRXCFSA-N 0 0 418.574 5.082 1 0 biogenic,in-vitro HKAFRN CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c2c1C=C[C@@H]1CCC[C@@H]1O2)OC(C)=O ZINC000085627695 291292013 /nfs/dbraw/zinc/29/20/13/291292013.db2.gz XEKQHUBPILNRDJ-JCUDRXCFSA-N 0 0 416.558 5.162 1 0 biogenic,in-vitro HKAFRN CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CCCC3(CCCC3)C2)c1 ZINC000085629139 291291799 /nfs/dbraw/zinc/29/17/99/291291799.db2.gz XKUGZEVETXTZRP-FYYLOGMGSA-N 0 0 416.602 6.107 1 0 biogenic,in-vitro HKAFRN Cc1cc(O)c(C)c2c1CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000085644260 291297501 /nfs/dbraw/zinc/29/75/01/291297501.db2.gz BXFFLLUMZSVWOY-DQCZWYHMSA-N 0 0 416.690 8.532 1 0 biogenic,in-vitro HKAFRN CC1=CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](C)CC[C@]43C)[C@H]2[C@@H]1C ZINC000085644658 291290321 /nfs/dbraw/zinc/29/03/21/291290321.db2.gz UQSMQZZYUKDRFU-ALMLPMLFSA-N 0 0 424.757 9.300 1 0 biogenic,in-vitro HKAFRN C[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=CC[C@@]5(C)CCC(C)(C)C[C@@H]54)[C@]3(C)CC[C@H]2C1(C)C ZINC000085644660 291296225 /nfs/dbraw/zinc/29/62/25/291296225.db2.gz FGDSPOBRDAKBOX-MZADZMOWSA-N 0 0 424.757 9.444 1 0 biogenic,in-vitro HKAFRN CC[C@H](C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000085645738 291292947 /nfs/dbraw/zinc/29/29/47/291292947.db2.gz RWZXAVHSOHPSBG-PODYLUTMSA-N 0 0 400.691 7.635 1 0 biogenic,in-vitro HKAFRN CC(/C=C/C=C(/C)[C@@H]1C=C2[C@](C)(C[C@H](O)CC2(C)C)O1)=C\C=C\C=C(C)\C=C\CO ZINC000085673589 574416755 /nfs/dbraw/zinc/41/67/55/574416755.db2.gz OOJOUQLXWXASLN-VTZCEUORSA-N 0 0 410.598 5.751 1 0 endogenous,in-man HKAFRN CC[C@H](CC[C@H](C)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000085897971 574416843 /nfs/dbraw/zinc/41/68/43/574416843.db2.gz YQQOGXLLGWWKQH-YVGXCBJPSA-N 0 0 414.718 8.169 1 0 endogenous,in-man HKAFRN Oc1ccc2cc1Oc1ccc(cc1)CCc1ccc(c(O)c1)-c1c(O)cccc1CC2 ZINC000085948775 291298820 /nfs/dbraw/zinc/29/88/20/291298820.db2.gz ZKRAPLUKBRYFFL-UHFFFAOYSA-N 0 0 424.496 6.147 1 0 biogenic,in-vitro HKAFRN CC(/C=C/C=C(/C)[C@@H]1C=C2[C@](C)(C[C@H](O)CC2(C)C)O1)=C\C=C/C=C(\C)CCCO ZINC000085979765 574416890 /nfs/dbraw/zinc/41/68/90/574416890.db2.gz SMTGOURXPBLNQN-RZFFGMPZSA-N 0 0 412.614 5.975 1 0 endogenous,in-man HKAFRN CC1=C(CCC2=C(C)CC[C@H]3C(C)(C)CCC[C@]23C)[C@@]2(C)CCCC(C)(C)[C@H]2CC1 ZINC000086031305 291289719 /nfs/dbraw/zinc/28/97/19/291289719.db2.gz ZZGUCDDZQIFCSE-QUKNIHFLSA-N 0 0 410.730 9.652 1 0 biogenic,in-vitro HKAFRN C=C/C(=C\C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000095098998 290673546 /nfs/dbraw/zinc/67/35/46/290673546.db2.gz UEWMGQVBSUKDSE-XWUHYQCMSA-N 0 0 410.686 7.721 1 0 biogenic,in-vitro HKAFRN C[C@H]1[C@H]2[C@H](C[C@@H]3[C@H]4CC[C@@H]5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000095099282 560062648 /nfs/dbraw/zinc/06/26/48/560062648.db2.gz GMBQZIIUCVWOCD-AYMSIWLPSA-N 0 0 416.646 5.794 1 0 biogenic,in-vitro HKAFRN COc1cc2c(cc1C=C(C)C)[C@H]1COc3c(ccc(OC)c3CC=C(C)C)[C@H]1O2 ZINC000095099502 291294720 /nfs/dbraw/zinc/29/47/20/291294720.db2.gz OWVQBBXRFSSWLP-QFQXNSOFSA-N 0 0 406.522 6.245 1 0 biogenic,in-vitro HKAFRN CC(=O)[C@H]1C(C)(C)C[C@@H]2C[C@H](C)C[C@@H]2[C@H](OC(=O)/C=C\c2ccccc2)[C@]1(C)C(C)C ZINC000095485995 291283562 /nfs/dbraw/zinc/28/35/62/291283562.db2.gz POKZVPGYYXWMBO-CBGYDPMXSA-N 0 0 424.625 6.571 1 0 biogenic,in-vitro HKAFRN COc1cccc2cc(C)c([C@H]3C(OC)=CC4=C(C(C)=N[C@@H](C)C4)[C@@H]3OC)c(O)c21 ZINC000095486021 291293062 /nfs/dbraw/zinc/29/30/62/291293062.db2.gz DKQZXYATHVVDTH-NRSLUSSRSA-N 0 0 407.510 5.055 1 0 biogenic,in-vitro HKAFRN COc1cc(OC)c2c(c1)[C@H](c1c(C)cc3cccc(OC)c3c1O)[C@H](C)N=C2C ZINC000095486022 291294377 /nfs/dbraw/zinc/29/43/77/291294377.db2.gz PXBHZIFPQCRJCT-NPMXOYFQSA-N 0 0 405.494 5.223 1 0 biogenic,in-vitro HKAFRN C/C(=C\CC/C=C(\C)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000095486034 291281014 /nfs/dbraw/zinc/28/10/14/291281014.db2.gz FEBMZCYYLLUVSK-IOWNHJGESA-N 0 0 410.639 5.210 1 0 biogenic,in-vitro HKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2c1OC(C)(C)CC2 ZINC000095486052 291287581 /nfs/dbraw/zinc/28/75/81/291287581.db2.gz INSMSALGNVLSAY-NRFANRHFSA-N 0 0 408.494 5.417 1 0 biogenic,in-vitro HKAFRN CC(C)C1CC2=CC=C3C(C)(C)[C@@H](OC(=O)c4ccccc4)CC[C@]3(C)C2C(=O)C1=O ZINC000095486063 291287916 /nfs/dbraw/zinc/28/79/16/291287916.db2.gz UAFNBKSIDYRJDO-MYIHVTGJSA-N 0 0 420.549 5.674 1 0 biogenic,in-vitro HKAFRN CC1(C)CC[C@@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000095486089 291288747 /nfs/dbraw/zinc/28/87/47/291288747.db2.gz DBCAVZSSFGIHQZ-GVAAALDMSA-N 0 0 424.713 8.377 1 0 biogenic,in-vitro HKAFRN COc1c2c(c(CC=C(C)C)c3c1C(=O)C[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 ZINC000095486267 291293841 /nfs/dbraw/zinc/29/38/41/291293841.db2.gz HVBOPNPRQUKWTB-NRFANRHFSA-N 0 0 404.506 6.095 1 0 biogenic,in-vitro HKAFRN CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2C[C@@]34CC=C5CCCC[C@]5(C)[C@@H]3[C@H]4C[C@]21C)C(C)C ZINC000095486368 291292497 /nfs/dbraw/zinc/29/24/97/291292497.db2.gz GAGAIBVZNQUTDY-YTZLKMFTSA-N 0 0 410.730 9.054 1 0 biogenic,in-vitro HKAFRN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000095618338 574417069 /nfs/dbraw/zinc/41/70/69/574417069.db2.gz YSKVBPGQYRAUQO-WFACIVKZSA-N 0 0 414.718 8.025 1 0 endogenous,in-man HKAFRN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000095618339 574417060 /nfs/dbraw/zinc/41/70/60/574417060.db2.gz YSKVBPGQYRAUQO-DYEAPHFYSA-N 0 0 414.718 8.025 1 0 endogenous,in-man HKAFRN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000095618340 574417062 /nfs/dbraw/zinc/41/70/62/574417062.db2.gz YSKVBPGQYRAUQO-GXMKNNQGSA-N 0 0 414.718 8.025 1 0 endogenous,in-man HKAFRN COc1cccc2c1c(OC)cc(O)c2-c1c(OC)cc2c(c1OC)C(C)=N[C@@H](C)C2 ZINC000095909460 291294787 /nfs/dbraw/zinc/29/47/87/291294787.db2.gz CLRLXEFRRVACNF-ZDUSSCGKSA-N 0 0 421.493 5.000 1 0 biogenic,in-vitro HKAFRN CC(C)=CCC[C@]1(C)CC[C@]2(C)C(=CC[C@H]3[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@@]23C)C1 ZINC000095909705 291285279 /nfs/dbraw/zinc/28/52/79/291285279.db2.gz CRANCNKSDHVJBF-HGLHVUDESA-N 0 0 410.730 9.508 1 0 biogenic,in-vitro HKAFRN COc1ccc2c(c1CC=C(C)C)OC[C@@H]1c3cc(CC=C(C)C)c(OC)cc3O[C@H]21 ZINC000095909827 291294737 /nfs/dbraw/zinc/29/47/37/291294737.db2.gz FRRIDYJLRAVGPK-AJTFRIOCSA-N 0 0 420.549 6.331 1 0 biogenic,in-vitro HKAFRN C[C@@H]1[C@H](OC2CCCC2)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000095910278 291295891 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0 420.678 5.412 1 0 endogenous,in-man HKAFRN C[C@H](CCC[C@H](C)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913660 571843785 /nfs/dbraw/zinc/84/37/85/571843785.db2.gz OQIJRBFRXGIHMI-PKDMNJSQSA-N 0 0 420.678 5.412 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118914607 571843799 /nfs/dbraw/zinc/84/37/99/571843799.db2.gz HHVQPBXBALLUDF-BXYNVXOPSA-N 0 0 418.662 5.618 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118916857 571844399 /nfs/dbraw/zinc/84/43/99/571844399.db2.gz SGNBVLSWZMBQTH-LTOOUGIQSA-N 0 0 400.691 7.635 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118936752 571844322 /nfs/dbraw/zinc/84/43/22/571844322.db2.gz HHVQPBXBALLUDF-GBEAZAASSA-N 0 0 418.662 5.618 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118936753 571844441 /nfs/dbraw/zinc/84/44/41/571844441.db2.gz HHVQPBXBALLUDF-SKFIKBPBSA-N 0 0 418.662 5.618 1 0 endogenous,in-man HKAFRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936886 571845489 /nfs/dbraw/zinc/84/54/89/571845489.db2.gz VETZNBAGZJYCQT-RQXITMRRSA-N 0 0 414.674 7.102 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936887 571845493 /nfs/dbraw/zinc/84/54/93/571845493.db2.gz VETZNBAGZJYCQT-CCSKIALBSA-N 0 0 414.674 7.102 1 0 endogenous,in-man HKAFRN CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936888 571845506 /nfs/dbraw/zinc/84/55/06/571845506.db2.gz VETZNBAGZJYCQT-ISELYMISSA-N 0 0 414.674 7.102 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936889 571845491 /nfs/dbraw/zinc/84/54/91/571845491.db2.gz VETZNBAGZJYCQT-RKCGHFKXSA-N 0 0 414.674 7.102 1 0 endogenous,in-man HKAFRN C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118937145 571847593 /nfs/dbraw/zinc/84/75/93/571847593.db2.gz ARTLJRSXUMKHFS-LVNBCGQYSA-N 0 0 412.702 8.233 1 0 endogenous,in-man HKAFRN C/C=C(/CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118937146 571847559 /nfs/dbraw/zinc/84/75/59/571847559.db2.gz ARTLJRSXUMKHFS-GCBMXRRSSA-N 0 0 412.702 8.233 1 0 endogenous,in-man HKAFRN C/C=C(/CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118937147 571847588 /nfs/dbraw/zinc/84/75/88/571847588.db2.gz ARTLJRSXUMKHFS-JMKOJETHSA-N 0 0 412.702 8.233 1 0 endogenous,in-man HKAFRN C[C@@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000118937280 571848435 /nfs/dbraw/zinc/84/84/35/571848435.db2.gz CIBAPVLFORANSS-WZVZKQHUSA-N 0 0 414.630 6.002 1 0 endogenous,in-man HKAFRN C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000118937281 571848479 /nfs/dbraw/zinc/84/84/79/571848479.db2.gz CIBAPVLFORANSS-AYSYCMHASA-N 0 0 414.630 6.002 1 0 endogenous,in-man HKAFRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000118937282 571848491 /nfs/dbraw/zinc/84/84/91/571848491.db2.gz CIBAPVLFORANSS-KRGNGILBSA-N 0 0 414.630 6.002 1 0 endogenous,in-man HKAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000118937283 571848440 /nfs/dbraw/zinc/84/84/40/571848440.db2.gz CIBAPVLFORANSS-SJZQINDMSA-N 0 0 414.630 6.002 1 0 endogenous,in-man HKAFRN CC(C)C[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937326 571848424 /nfs/dbraw/zinc/84/84/24/571848424.db2.gz FHSVMYDBGPVTTJ-DLIDOFMKSA-N 0 0 420.678 5.410 1 0 endogenous,in-man HKAFRN CC(C)C[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937327 571848898 /nfs/dbraw/zinc/84/88/98/571848898.db2.gz FHSVMYDBGPVTTJ-UHHLPRGWSA-N 0 0 420.678 5.410 1 0 endogenous,in-man HKAFRN CC(C)C[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937328 571848881 /nfs/dbraw/zinc/84/88/81/571848881.db2.gz FHSVMYDBGPVTTJ-SMJWMSDZSA-N 0 0 420.678 5.410 1 0 endogenous,in-man HKAFRN CC(C)C[C@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937329 571848863 /nfs/dbraw/zinc/84/88/63/571848863.db2.gz FHSVMYDBGPVTTJ-SDPCMJJLSA-N 0 0 420.678 5.410 1 0 endogenous,in-man HKAFRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937337 571848874 /nfs/dbraw/zinc/84/88/74/571848874.db2.gz WOVIRZFRRNEFES-ZRMYRXRYSA-N 0 0 414.718 8.313 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937338 571848853 /nfs/dbraw/zinc/84/88/53/571848853.db2.gz WOVIRZFRRNEFES-OWLYXOSLSA-N 0 0 414.718 8.313 1 0 endogenous,in-man HKAFRN CC(C)[C@@H](C)CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937339 571848914 /nfs/dbraw/zinc/84/89/14/571848914.db2.gz WOVIRZFRRNEFES-AFDMBCEJSA-N 0 0 414.718 8.313 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937340 571848878 /nfs/dbraw/zinc/84/88/78/571848878.db2.gz WOVIRZFRRNEFES-YWRHLCANSA-N 0 0 414.718 8.313 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937341 571848918 /nfs/dbraw/zinc/84/89/18/571848918.db2.gz ZMYBKDLUDWAJSA-HDMIIMBSSA-N 0 0 400.691 8.067 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937342 571848893 /nfs/dbraw/zinc/84/88/93/571848893.db2.gz ZMYBKDLUDWAJSA-KKSHANKISA-N 0 0 400.691 8.067 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937343 571848866 /nfs/dbraw/zinc/84/88/66/571848866.db2.gz ZMYBKDLUDWAJSA-DPLNCCJLSA-N 0 0 400.691 8.067 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937344 571848884 /nfs/dbraw/zinc/84/88/84/571848884.db2.gz ZMYBKDLUDWAJSA-XKASSTLFSA-N 0 0 400.691 8.067 1 0 endogenous,in-man HKAFRN CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3 ZINC000146244671 560044605 /nfs/dbraw/zinc/04/46/05/560044605.db2.gz GINOEDXLNMHUDV-AXHZCLLHSA-N 0 0 400.515 5.200 1 0 biogenic,in-vitro HKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H]([C@@H]1/C=C/CCCCC1)O2)C(C)=CC(C)(C)N3 ZINC000169311170 581100212 /nfs/dbraw/zinc/10/02/12/581100212.db2.gz NYZPSKBMSBIASN-NPYAPQCGSA-N 0 0 415.577 7.540 1 0 HKAFRN COc1cccc2c1-c1ccc3c(c1[C@H]([C@@H]1/C=C/CCCCC1)O2)C(C)=CC(C)(C)N3 ZINC000169311171 581100289 /nfs/dbraw/zinc/10/02/89/581100289.db2.gz NYZPSKBMSBIASN-SLUFIHBESA-N 0 0 415.577 7.540 1 0 HKAFRN COc1cccc2c1-c1ccc3c(c1[C@H]([C@H]1/C=C/CCCCC1)O2)C(C)=CC(C)(C)N3 ZINC000195038650 581100318 /nfs/dbraw/zinc/10/03/18/581100318.db2.gz NYZPSKBMSBIASN-SMWYRGRHSA-N 0 0 415.577 7.540 1 0 HKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H]([C@H]1/C=C/CCCCC1)O2)C(C)=CC(C)(C)N3 ZINC000195038676 581100264 /nfs/dbraw/zinc/10/02/64/581100264.db2.gz NYZPSKBMSBIASN-LJZRIZKXSA-N 0 0 415.577 7.540 1 0 HKAFRN C[C@H](Oc1ccc2ncc(/C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000210620778 581095759 /nfs/dbraw/zinc/09/57/59/581095759.db2.gz OIOZTIQUNWLFQV-JNWMYZIBSA-N 0 0 405.256 5.319 1 0 HKAFRN C[C@@H](Oc1ccc2ncc(/C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000210620810 581095842 /nfs/dbraw/zinc/09/58/42/581095842.db2.gz OIOZTIQUNWLFQV-IGVIJBNESA-N 0 0 405.256 5.319 1 0 HKAFRN C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255256195 574421909 /nfs/dbraw/zinc/42/19/09/574421909.db2.gz OSELKOCHBMDKEJ-FNWFKWIVSA-N 0 0 412.702 7.945 1 0 endogenous,in-man HKAFRN CC(=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CCC[C@]43C)[C@@H]12 ZINC000255276038 291272931 /nfs/dbraw/zinc/27/29/31/291272931.db2.gz WITVYVWRRGIEDG-DVLMBPTHSA-N 0 0 412.702 8.067 1 0 HKAFRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000256408202 571857409 /nfs/dbraw/zinc/85/74/09/571857409.db2.gz CIBAPVLFORANSS-KSPFACITSA-N 0 0 414.630 6.002 1 0 endogenous,in-man HKAFRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 ZINC000256408210 574422337 /nfs/dbraw/zinc/42/23/37/574422337.db2.gz CIBAPVLFORANSS-OYXWFNEUSA-N 0 0 414.630 6.002 1 0 endogenous,in-man HKAFRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@H](C)CO2 ZINC000256408218 574422365 /nfs/dbraw/zinc/42/23/65/574422365.db2.gz CIBAPVLFORANSS-PWEOEGBUSA-N 0 0 414.630 6.002 1 0 endogenous,in-man HKAFRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@H](C)CO2 ZINC000256408227 574422363 /nfs/dbraw/zinc/42/23/63/574422363.db2.gz CIBAPVLFORANSS-ZOFKPQJFSA-N 0 0 414.630 6.002 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3 ZINC000256543455 574422799 /nfs/dbraw/zinc/42/27/99/574422799.db2.gz BHMYRYNHHQYGTN-HOVXQZRVSA-N 0 0 414.674 6.814 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1[C@@H](O)C3 ZINC000256543459 574422800 /nfs/dbraw/zinc/42/28/00/574422800.db2.gz BHMYRYNHHQYGTN-MDTPYDFHSA-N 0 0 414.674 6.814 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1[C@H](O)C3 ZINC000256543463 571858786 /nfs/dbraw/zinc/85/87/86/571858786.db2.gz BHMYRYNHHQYGTN-OZODQDSBSA-N 0 0 414.674 6.814 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)C3 ZINC000256543466 571858834 /nfs/dbraw/zinc/85/88/34/571858834.db2.gz BHMYRYNHHQYGTN-ZZZDDWHZSA-N 0 0 414.674 6.814 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257524852 571860060 /nfs/dbraw/zinc/86/00/60/571860060.db2.gz QQWIMVRGPKFDGM-FTJHIESOSA-N 0 0 424.713 8.543 1 0 endogenous,in-man HKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257524853 571860080 /nfs/dbraw/zinc/86/00/80/571860080.db2.gz QQWIMVRGPKFDGM-QYDDQGQXSA-N 0 0 424.713 8.543 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261495616 571861627 /nfs/dbraw/zinc/86/16/27/571861627.db2.gz DDJMOMHMVFXEQF-BHOYAMEWSA-N 0 0 400.691 7.923 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261495617 571861569 /nfs/dbraw/zinc/86/15/69/571861569.db2.gz DDJMOMHMVFXEQF-GYILXMFYSA-N 0 0 400.691 7.923 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000261496195 571861866 /nfs/dbraw/zinc/86/18/66/571861866.db2.gz HHVQPBXBALLUDF-AGXMIPIYSA-N 0 0 418.662 5.618 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000261496197 571861763 /nfs/dbraw/zinc/86/17/63/571861763.db2.gz HHVQPBXBALLUDF-RFUNRACHSA-N 0 0 418.662 5.618 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000261496198 571861917 /nfs/dbraw/zinc/86/19/17/571861917.db2.gz HHVQPBXBALLUDF-RGYIGBEPSA-N 0 0 418.662 5.618 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261496325 571861942 /nfs/dbraw/zinc/86/19/42/571861942.db2.gz HWOOALPDOJHOPO-FHTQBPMKSA-N 0 0 402.663 6.648 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@@H]3O ZINC000261496326 571861871 /nfs/dbraw/zinc/86/18/71/571861871.db2.gz HWOOALPDOJHOPO-JOSIGTSNSA-N 0 0 402.663 6.648 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@@H]3O ZINC000261496327 571861956 /nfs/dbraw/zinc/86/19/56/571861956.db2.gz HWOOALPDOJHOPO-XWLASXOESA-N 0 0 402.663 6.648 1 0 endogenous,in-man HKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261496328 571861834 /nfs/dbraw/zinc/86/18/34/571861834.db2.gz HWOOALPDOJHOPO-ZEMOPWSRSA-N 0 0 402.663 6.648 1 0 endogenous,in-man HKAFRN C[C@H](CCC[C@H](C)CO)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000261497564 571862775 /nfs/dbraw/zinc/86/27/75/571862775.db2.gz OQIJRBFRXGIHMI-AKYBVSBUSA-N 0 0 420.678 5.412 1 0 endogenous,in-man HKAFRN C[C@H](CCC[C@H](C)CO)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261497565 571862681 /nfs/dbraw/zinc/86/26/81/571862681.db2.gz OQIJRBFRXGIHMI-BZSGNPOJSA-N 0 0 420.678 5.412 1 0 endogenous,in-man HKAFRN C[C@H](CCC[C@H](C)CO)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261497566 571862781 /nfs/dbraw/zinc/86/27/81/571862781.db2.gz OQIJRBFRXGIHMI-MUSOPHRCSA-N 0 0 420.678 5.412 1 0 endogenous,in-man HKAFRN C[C@H](CCC[C@H](C)CO)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000261497567 571862644 /nfs/dbraw/zinc/86/26/44/571862644.db2.gz OQIJRBFRXGIHMI-XLGZVPQUSA-N 0 0 420.678 5.412 1 0 endogenous,in-man HKAFRN C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000261497585 571862650 /nfs/dbraw/zinc/86/26/50/571862650.db2.gz OSELKOCHBMDKEJ-YHVSQRSQSA-N 0 0 412.702 7.945 1 0 endogenous,in-man HKAFRN C/C=C(\CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000261497586 571862716 /nfs/dbraw/zinc/86/27/16/571862716.db2.gz OSELKOCHBMDKEJ-YTDVGYCMSA-N 0 0 412.702 7.945 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261499073 571863166 /nfs/dbraw/zinc/86/31/66/571863166.db2.gz XGIZPVUTLMXXTK-OPSBKBRQSA-N 0 0 416.690 6.894 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000261499074 571863117 /nfs/dbraw/zinc/86/31/17/571863117.db2.gz XGIZPVUTLMXXTK-XHUJCTCHSA-N 0 0 416.690 6.894 1 0 endogenous,in-man HKAFRN CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261499075 571863154 /nfs/dbraw/zinc/86/31/54/571863154.db2.gz XGIZPVUTLMXXTK-XMGGGZAOSA-N 0 0 416.690 6.894 1 0 endogenous,in-man HKAFRN O=C(NCc1cc(-c2cccs2)on1)c1cnc2c(ccn2C2CCCCC2)c1 ZINC000072322908 526637925 /nfs/dbraw/zinc/63/79/25/526637925.db2.gz QOFQTHSOOROKPA-UHFFFAOYSA-N 0 0 406.511 5.188 2 0 HKAFRN CC(C)(C)n1cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c2cccnc21 ZINC000072323222 519153163 /nfs/dbraw/zinc/15/31/63/519153163.db2.gz PQGUDLXQLFBVLW-UHFFFAOYSA-N 0 0 408.889 5.030 2 0 HKAFRN O=C(c1cnc2c(ccn2C2CCCCC2)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000072323621 526875417 /nfs/dbraw/zinc/87/54/17/526875417.db2.gz VGSGDAHMOPHEKT-UHFFFAOYSA-N 0 0 422.960 5.157 2 0 HKAFRN COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(=O)c-3c2O)OC(C)(C)C=C4)cc1 ZINC000002554939 560187723 /nfs/dbraw/zinc/18/77/23/560187723.db2.gz LDARSRVDRQBFHA-UHFFFAOYSA-N 0 0 418.489 5.867 3 0 in-vitro HKAFRN