smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C\CC[C@]1(C)Oc2oc3cc([O-])ccc3c(=O)c2[C@H]1C)Cc1cc(C)co1 ZINC000038289435 291142499 /nfs/dbraw/zinc/14/24/99/291142499.db2.gz CNAKVNYQFGVXPI-PMHGJYERSA-N -1 0 394.467 5.624 1 0 biogenic,in-vitro GKAFRM CCCCC[C@H](O)/C=C/C=C/C1CCC([C@@H](CCC(=O)[O-])CCC(C)C)CC1 ZINC000085490991 291149054 /nfs/dbraw/zinc/14/90/54/291149054.db2.gz DXBSCUDOTGZJPS-HGCFAJLVSA-N -1 0 392.624 6.764 1 0 biogenic,in-vitro GKAFRM CC1(C)CCC(C)(C)c2cc(C3=NO[C@H](c4ccc(C(=O)[O-])cc4)C3)ccc21 ZINC000013558478 204494777 /nfs/dbraw/zinc/49/47/77/204494777.db2.gz DWAYVDIESMCGRZ-NRFANRHFSA-N -1 0 377.484 5.600 1 0 GKAFRM COc1ccc(-c2ccc3c(c2)CCc2c-3nc3ccc(F)cc3c2C(=O)[O-])cc1 ZINC000026840804 204849290 /nfs/dbraw/zinc/84/92/90/204849290.db2.gz FCEQSNMCOTWBRL-UHFFFAOYSA-N -1 0 399.421 5.513 1 0 GKAFRM CC[C@@]1(C)C(=O)c2c(cc(OCC(=O)[O-])c(Cl)c2Cl)[C@H]1c1ccccc1 ZINC000039220344 205040303 /nfs/dbraw/zinc/04/03/03/205040303.db2.gz XYFTUMFEDXIWIX-OXQOHEQNSA-N -1 0 393.266 5.201 1 0 GKAFRM O=C([O-])Cc1sc(Cc2cccc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000045373885 205095151 /nfs/dbraw/zinc/09/51/51/205095151.db2.gz ITDGDPANJQEAKP-UHFFFAOYSA-N -1 0 393.895 5.835 1 0 GKAFRM Fc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc43)cc2)cc1 ZINC000040950448 205075490 /nfs/dbraw/zinc/07/54/90/205075490.db2.gz NVHFCFINJLHLKY-UHFFFAOYSA-N -1 0 389.415 5.075 1 0 GKAFRM Cc1cc(C)cc(COc2ccc3c(c2)[C@@]2(C)CCC[C@](C)(C(=O)[O-])[C@@H]2CC3)c1 ZINC000040917121 205075934 /nfs/dbraw/zinc/07/59/34/205075934.db2.gz GRVIKCGDDKWLSG-ARMFNRFLSA-N -1 0 392.539 5.977 1 0 GKAFRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@]4(C)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058655361 205177567 /nfs/dbraw/zinc/17/75/67/205177567.db2.gz AVXKGWPADKOCLK-NWVVOUCLSA-N -1 0 390.608 5.897 1 0 GKAFRM O=C([O-])Cc1c2ccccc2n(C(=O)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000073199688 205356372 /nfs/dbraw/zinc/35/63/72/205356372.db2.gz CTOLGLQYKWARIE-UHFFFAOYSA-N -1 0 389.838 5.277 1 0 GKAFRM O=C([O-])c1oc2ccc(Cl)cc2c1CCCOc1cccc2ccccc21 ZINC000095594732 205502380 /nfs/dbraw/zinc/50/23/80/205502380.db2.gz DFAAJPMWSDOXJL-UHFFFAOYSA-N -1 0 380.827 5.949 1 0 GKAFRM O=C([O-])Cc1c[nH]c2cc(OCCCn3c4ccccc4c4ccccc43)ccc12 ZINC000095593712 205503060 /nfs/dbraw/zinc/50/30/60/205503060.db2.gz ZUIJRHKKKGMAEH-UHFFFAOYSA-N -1 0 398.462 5.372 1 0 GKAFRM CCCCNC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000096924192 205576900 /nfs/dbraw/zinc/57/69/00/205576900.db2.gz PPPLGJICEUKDID-UHFFFAOYSA-N -1 0 387.288 5.342 1 0 GKAFRM Cc1c2c(c([C@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c(O)c1C)CCC2=O ZINC000001551133 206385785 /nfs/dbraw/zinc/38/57/85/206385785.db2.gz MIMHBCCQTTWMBE-GOSISDBHSA-N -1 0 398.474 5.444 1 0 GKAFRM O=c1c2c(cc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)[n-]n1-c1ccccc1 ZINC000098083848 211380812 /nfs/dbraw/zinc/38/08/12/211380812.db2.gz CJOTYGVLFYLXTG-UHFFFAOYSA-N -1 0 398.412 5.931 1 0 GKAFRM COc1cc(NC(=O)c2cc3c4c(c2)CCCCC4CCCC3)ccc1C(=O)[O-] ZINC000096907580 211351526 /nfs/dbraw/zinc/35/15/26/211351526.db2.gz DMOBPRLRFAMTDE-UHFFFAOYSA-N -1 0 393.483 5.182 1 0 GKAFRM CC12CCCc3cc(C(=O)Nc4ccc(C(=O)[O-])c(Cl)c4)cc(c31)CCC2 ZINC000096907123 211351414 /nfs/dbraw/zinc/35/14/14/211351414.db2.gz XLCUXMMRYHIDPR-UHFFFAOYSA-N -1 0 383.875 5.221 1 0 GKAFRM O=C([O-])c1sc2cc(N3C(=S)N=NC3C3CCCCC3)ccc2c1Cl ZINC000096273202 211328722 /nfs/dbraw/zinc/32/87/22/211328722.db2.gz RRWAJWOZXCETBW-UHFFFAOYSA-N -1 0 393.921 5.170 1 0 GKAFRM C=C1c2ccc(-c3cccc(C(=O)[O-])c3)cc2C(=O)N(C)c2ccc(CC)cc21 ZINC000095554944 211277042 /nfs/dbraw/zinc/27/70/42/211277042.db2.gz QQYRQGGQEDJICW-UHFFFAOYSA-N -1 0 383.447 5.266 1 0 GKAFRM C=C1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2C(=O)N(C)c2ccc(CC)cc21 ZINC000095556244 211276833 /nfs/dbraw/zinc/27/68/33/211276833.db2.gz JVGCIYMMOVAJFX-UHFFFAOYSA-N -1 0 383.447 5.266 1 0 GKAFRM C/C(=C\C=C\[C@H](C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1[O-])CCCc1ccoc1 ZINC000084904581 211175879 /nfs/dbraw/zinc/17/58/79/211175879.db2.gz XZFNRHCNBWUYAM-WDWZHPESSA-N -1 0 398.543 6.820 1 0 GKAFRM Cc1cccc(C)c1-c1cccc(COc2cc(F)c(CCC(=O)[O-])c(F)c2)c1 ZINC000066114183 211001635 /nfs/dbraw/zinc/00/16/35/211001635.db2.gz XTGHVWCBHGYSBY-UHFFFAOYSA-N -1 0 396.433 5.845 1 0 GKAFRM O=C([O-])/C=C/CCCCCCCCCC=C(Br)Br ZINC000053298089 210872587 /nfs/dbraw/zinc/87/25/87/210872587.db2.gz QHJQKPBALFLOEF-ZRDIBKRKSA-N -1 0 382.136 5.769 1 0 GKAFRM O=C([O-])Cc1sc(Nc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000045371850 210824743 /nfs/dbraw/zinc/82/47/43/210824743.db2.gz CVDQCWFGYGVALA-UHFFFAOYSA-N -1 0 386.476 5.848 1 0 GKAFRM C/C(=C\C=C\[C@@H](C)CCCc1ccoc1)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000017191536 207086358 /nfs/dbraw/zinc/08/63/58/207086358.db2.gz HSRYYQFDLALWMZ-NIYLMEGPSA-N -1 0 398.543 6.820 1 0 GKAFRM Cc1cccc2scc(Cn3c(SCCCC(=O)[O-])nc4ccccc43)c21 ZINC000034608219 210658232 /nfs/dbraw/zinc/65/82/32/210658232.db2.gz YSOMBHFITHOMPW-UHFFFAOYSA-N -1 0 396.537 5.565 1 0 in-vitro GKAFRM COc1ccc(C(=O)[O-])nc1-c1csc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000026252658 207311030 /nfs/dbraw/zinc/31/10/30/207311030.db2.gz WJSUBTGZPXHESV-UHFFFAOYSA-N -1 0 388.448 5.246 1 0 GKAFRM CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccc(C(=O)[O-])cc1-2 ZINC000026973310 207321139 /nfs/dbraw/zinc/32/11/39/207321139.db2.gz JWNUUTSDBTUAMN-UHFFFAOYSA-N -1 0 382.456 5.337 1 0 GKAFRM CCc1cccc2c1[nH]c1c2[C@@H](Cc2ccccc2)CO[C@]1(CC)CC(=O)[O-] ZINC000026286225 207311823 /nfs/dbraw/zinc/31/18/23/207311823.db2.gz DIIOOWOHOFZPMF-MHECFPHRSA-N -1 0 377.484 5.167 1 0 GKAFRM O=C([O-])[C@H]1C[C@H]1c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000028462223 207342719 /nfs/dbraw/zinc/34/27/19/207342719.db2.gz FQGRVYDSPVYIBO-ZITRHOLMSA-N -1 0 388.507 5.715 1 0 GKAFRM Cc1cc2c(cc1-c1cccc(-c3ccc(C(=O)[O-])cc3)n1)C(C)(C)CCC2(C)C ZINC000028759623 207348398 /nfs/dbraw/zinc/34/83/98/207348398.db2.gz ACSZYKRTELLCHB-UHFFFAOYSA-N -1 0 399.534 6.771 1 0 GKAFRM O=C([O-])Cc1csc2cc(OCc3cc(-c4ccc(Cl)cc4)on3)ccc12 ZINC000028822682 207349836 /nfs/dbraw/zinc/34/98/36/207349836.db2.gz ISEMTHSDRXTHAL-UHFFFAOYSA-N -1 0 399.855 5.416 1 0 GKAFRM CC1(C)Cc2c(-c3ccccc3)c(-c3ccc4ccoc4c3)c(CC(=O)[O-])n2C1 ZINC000043077728 207626078 /nfs/dbraw/zinc/62/60/78/207626078.db2.gz IGCDNRCKJRMTAZ-UHFFFAOYSA-N -1 0 385.463 5.778 1 0 GKAFRM O=C([O-])Cc1sc(Cc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000045387638 207655302 /nfs/dbraw/zinc/65/53/02/207655302.db2.gz TYWSXIDFMRNWCP-UHFFFAOYSA-N -1 0 378.280 5.335 1 0 GKAFRM O=c1oc2ccccc2c([O-])c1-c1csc(Nc2cccc3ccccc32)n1 ZINC000084668369 208096894 /nfs/dbraw/zinc/09/68/94/208096894.db2.gz FMEIASOMXWNDPF-UHFFFAOYSA-N -1 0 386.432 5.519 1 0 GKAFRM COc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000028825679 210534504 /nfs/dbraw/zinc/53/45/04/210534504.db2.gz JQFJYYWVJPYDCA-RUDMXATFSA-N -1 0 388.507 5.928 1 0 GKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2CCc1cccc(F)c1 ZINC000095597498 208236654 /nfs/dbraw/zinc/23/66/54/208236654.db2.gz YNJPEZCBLHRGMZ-UHFFFAOYSA-N -1 0 376.383 5.428 1 0 GKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1cc(-c3ccsc3)ccc1-2 ZINC000026839098 210505400 /nfs/dbraw/zinc/50/54/00/210505400.db2.gz UDDGMKJDDXTMEC-UHFFFAOYSA-N -1 0 375.424 5.566 1 0 GKAFRM CCc1cccc2c1[nH]c1c2[C@@H](Cc2ccccc2)CC[C@]1(CC)CC(=O)[O-] ZINC000026286882 210493392 /nfs/dbraw/zinc/49/33/92/210493392.db2.gz USXNLUOJLZLFRF-KBMIEXCESA-N -1 0 375.512 5.973 1 0 GKAFRM CCCCc1c([O-])c2cccnc2n(-c2ccc(Oc3ccccc3)cc2)c1=O ZINC000100820632 208381095 /nfs/dbraw/zinc/38/10/95/208381095.db2.gz KBOGJXWEEKXNBY-UHFFFAOYSA-N -1 0 386.451 5.226 1 0 GKAFRM Cc1cc2c(cc1[C@H]1CCCc3oc(/C=C/C(=O)[O-])cc31)C(C)(C)CCC2(C)C ZINC000013560356 221273615 /nfs/dbraw/zinc/27/36/15/221273615.db2.gz IOYHUMXQADXBLL-QZEKMECESA-N -1 0 392.539 6.503 1 0 GKAFRM Cc1ccccc1[C@@H](CCC(=O)[O-])Oc1cccc(OCc2ccsc2)c1 ZINC000013780325 221287805 /nfs/dbraw/zinc/28/78/05/221287805.db2.gz KZBXOROUKAHGMY-OAQYLSRUSA-N -1 0 382.481 5.620 1 0 GKAFRM O=C([O-])[C@@H]1CC=CC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 ZINC000013826807 221290978 /nfs/dbraw/zinc/29/09/78/221290978.db2.gz LZSSNJIJLJHCPD-DLBZAZTESA-N -1 0 384.838 5.012 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(-c3cccc(-c4ccc(C(=O)[O-])cc4)n3)ccc21 ZINC000028760509 221682937 /nfs/dbraw/zinc/68/29/37/221682937.db2.gz WVHLPGUOXHALCP-UHFFFAOYSA-N -1 0 385.507 6.463 1 0 GKAFRM Cc1c(-c2ccnc3cc(C(F)(F)F)ccc32)c2cc(C)ccc2n1CC(=O)[O-] ZINC000036127004 221845220 /nfs/dbraw/zinc/84/52/20/221845220.db2.gz UYLVLPRFGZUQIF-UHFFFAOYSA-N -1 0 398.384 5.577 1 0 GKAFRM O=C([O-])C[C@@H](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc(Cl)cc1 ZINC000072118573 222206921 /nfs/dbraw/zinc/20/69/21/222206921.db2.gz QKUWNSYQRZWBGF-LLVKDONJSA-N -1 0 382.769 5.036 1 0 GKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)nc1 ZINC000072112234 222206950 /nfs/dbraw/zinc/20/69/50/222206950.db2.gz AKRGDSMDOVOGKD-QHHAFSJGSA-N -1 0 375.468 5.020 1 0 GKAFRM O=C([O-])C[C@@H](Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000072118944 222207300 /nfs/dbraw/zinc/20/73/00/222207300.db2.gz CWATUWDPAQVYMV-SNVBAGLBSA-N -1 0 383.662 5.324 1 0 GKAFRM C/C(=C\C=C\[C@@H](C)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-])CCCc1ccoc1 ZINC000084904583 222323027 /nfs/dbraw/zinc/32/30/27/222323027.db2.gz XZFNRHCNBWUYAM-LRDZELPDSA-N -1 0 398.543 6.820 1 0 GKAFRM COc1ccccc1Cn1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)[O-])cc21 ZINC000095555805 222355387 /nfs/dbraw/zinc/35/53/87/222355387.db2.gz QZNDMIVOEURJHT-CQSZACIVSA-N -1 0 393.870 5.693 1 0 GKAFRM COc1c(CC=C(C)C)c([O-])c(C(=O)c2ccccc2)c(O)c1CC=C(C)C ZINC000014780692 560226215 /nfs/dbraw/zinc/22/62/15/560226215.db2.gz CFNHWEOECGZHRS-UHFFFAOYSA-N -1 0 380.484 5.355 1 0 biogenic,in-vitro GKAFRM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)C(=O)[O-])O2 ZINC000085589224 571784171 /nfs/dbraw/zinc/78/41/71/571784171.db2.gz CUGVBZDXUTZXJO-DXMSMQRWSA-N -1 0 390.564 6.099 1 0 endogenous,in-man GKAFRM CC(/C=C/CN(CC1CC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C)=C\C(=O)[O-] ZINC000053159698 581097099 /nfs/dbraw/zinc/09/70/99/581097099.db2.gz FMOOFUIGTSVHCO-UABRHEIZSA-N -1 0 395.587 6.011 1 0 GKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCc3cc(-c4ccccc4)on3)ccc21 ZINC000028565867 581097587 /nfs/dbraw/zinc/09/75/87/581097587.db2.gz RDUZREOUPIAMIS-TZIWHRDSSA-N -1 0 377.440 5.061 1 0 GKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CSc1cc(-c3ccccc3)ccc1-2 ZINC000026835826 581101336 /nfs/dbraw/zinc/10/13/36/581101336.db2.gz RKOFYFWJLAYACK-UHFFFAOYSA-N -1 0 387.435 6.012 1 0 GKAFRM O=c1c2c(oc([O-])c1[C@@H](c1ccccc1)C1CC1)[C@H](CC1CC1)CCCCCC2 ZINC000100712918 581101581 /nfs/dbraw/zinc/10/15/81/581101581.db2.gz URMURVHVCIHPEL-UNMCSNQZSA-N -1 0 392.539 6.278 1 0 GKAFRM Cc1ccccc1Oc1cccc(-c2c([O-])c3ccc(Cl)cc3[nH]c2=O)c1 ZINC000013775721 210090797 /nfs/dbraw/zinc/09/07/97/210090797.db2.gz BIALRNIZLCYJJP-UHFFFAOYSA-N -1 0 377.827 5.655 1 0 GKAFRM O=C([O-])c1ccc(C(=O)c2ccc(Cc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000013740024 210088659 /nfs/dbraw/zinc/08/86/59/210088659.db2.gz DMKAZTDVPJQRAJ-UHFFFAOYSA-N -1 0 384.353 5.225 1 0 GKAFRM O=c1[nH]c2sc3c(c2c([O-])c1-c1cccc(Oc2ccccc2)c1)CCC3 ZINC000013680044 210077915 /nfs/dbraw/zinc/07/79/15/210077915.db2.gz GIIYCSHNNAFIBE-UHFFFAOYSA-N -1 0 375.449 5.243 1 0 GKAFRM CCCc1cc(C(=O)CC)c(O)c(CCC)c1O[C@@H](C(=O)[O-])c1ccccc1 ZINC000013539280 210065182 /nfs/dbraw/zinc/06/51/82/210065182.db2.gz DSKNQEPRHSNXMS-JOCHJYFZSA-N -1 0 384.472 5.095 1 0 GKAFRM CC(/C=C/CC1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCCC1)=C\C(=O)[O-] ZINC000013487076 210063412 /nfs/dbraw/zinc/06/34/12/210063412.db2.gz MVHCRCMICHWUMR-JUMSSORRSA-N -1 0 380.572 6.825 1 0 GKAFRM C[C@@H](O)CCCCCC/C=C/CCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000015270275 291149759 /nfs/dbraw/zinc/14/97/59/291149759.db2.gz IKOVEXGXUDELJW-ZOXCZHJPSA-N -1 0 390.564 6.251 1 0 biogenic,in-vitro GKAFRM O=C([O-])CC/C=C/C[C@H](CCCCCC[C@@H]1C=CCC1)Cc1ccc(O)cc1 ZINC000085489294 291150455 /nfs/dbraw/zinc/15/04/55/291150455.db2.gz GFEJZLSBRJXFRL-KOSFIXHZSA-N -1 0 384.560 6.669 1 0 biogenic,in-vitro GKAFRM O=C([O-])CCCCCCCCCCCCCCCCc1ccc2c(c1)OCO2 ZINC000014591309 291150461 /nfs/dbraw/zinc/15/04/61/291150461.db2.gz FHATWZWQYFABGM-UHFFFAOYSA-N -1 0 390.564 6.894 1 0 biogenic,in-vitro GKAFRM COc1c2c(c(CC=C(C)C)c([O-])c1C(=O)c1ccc(O)cc1)OC(C)(C)C=C2 ZINC000005854373 209231824 /nfs/dbraw/zinc/23/18/24/209231824.db2.gz DFBSAOVRYPVDJO-UHFFFAOYSA-N -1 0 394.467 5.030 1 0 GKAFRM CC(/C=C/C1=C(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CCC1)=C\C(=O)[O-] ZINC000001891675 212259351 /nfs/dbraw/zinc/25/93/51/212259351.db2.gz GMUNIMQISYVYQW-PKAMWHFSSA-N -1 0 378.556 6.869 1 0 GKAFRM C/C(=C\C=C\[C@@H](C)CC/C=C(/C)C[C@H]1OC(=O)C(C)=C1[O-])CCCc1ccoc1 ZINC000101573872 209192403 /nfs/dbraw/zinc/19/24/03/209192403.db2.gz UXFNAATUJSSAHF-CNGQNWGCSA-N -1 0 398.543 6.615 1 0 GKAFRM CC(C)c1ccc2c(c1Nc1ccccc1)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)[O-])C2 ZINC000040865593 205073942 /nfs/dbraw/zinc/07/39/42/205073942.db2.gz AWVHHUSDBBJLHY-DNRSQYFGSA-N -1 0 391.555 6.550 1 0 GKAFRM CCCCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1 ZINC000040974003 205076762 /nfs/dbraw/zinc/07/67/62/205076762.db2.gz ZOPIBWTWOPSMIB-UHFFFAOYSA-N -1 0 381.859 5.946 1 0 GKAFRM Cc1ccccc1-n1c(=S)[n-]nc1Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000049069416 205124762 /nfs/dbraw/zinc/12/47/62/205124762.db2.gz CDKHSBZKYPXPKP-UHFFFAOYSA-N -1 0 399.932 5.759 1 0 GKAFRM O=C([O-])C/C=C/c1ccc(C(c2ccc(O)cc2)=C2C3CCCC2CCC3)cc1 ZINC000049070372 205125066 /nfs/dbraw/zinc/12/50/66/205125066.db2.gz ARTFZVAVTORZCW-IMVRTQBDSA-N -1 0 388.507 6.282 1 0 GKAFRM C[C@H](Cc1nc2c(cccc2C(F)(F)F)c(C(=O)[O-])c1O)c1ccccc1 ZINC000064348943 205189388 /nfs/dbraw/zinc/18/93/88/205189388.db2.gz SSHNMLMCVGDTMX-LLVKDONJSA-N -1 0 375.346 5.004 1 0 GKAFRM O=C([O-])CC1=C/C(=C/c2ccc(SC(F)(F)F)cc2)c2ccc(F)cc21 ZINC000071330492 205281647 /nfs/dbraw/zinc/28/16/47/205281647.db2.gz NPPDMRLSURBHGR-GHXNOFRVSA-N -1 0 380.362 5.850 1 0 GKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(O)c1 ZINC000082154257 205388820 /nfs/dbraw/zinc/38/88/20/205388820.db2.gz NZYFAKFZVZGYPT-QHHAFSJGSA-N -1 0 390.479 5.330 1 0 GKAFRM O=C([O-])c1cc(C(F)(F)F)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000096938303 205580074 /nfs/dbraw/zinc/58/00/74/205580074.db2.gz QINHHLZDZXRLNA-UHFFFAOYSA-N -1 0 385.341 5.323 1 0 GKAFRM Cc1c(CC(=O)[O-])c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678397 206295584 /nfs/dbraw/zinc/29/55/84/206295584.db2.gz ASHFUIFVWHWELM-UHFFFAOYSA-N -1 0 389.882 5.868 1 0 GKAFRM O=C([O-])c1csc(-n2nc(-c3ccccc3)c(Cl)c2-c2ccccc2)n1 ZINC000103249891 211424784 /nfs/dbraw/zinc/42/47/84/211424784.db2.gz AHDUYVFZHGOLRU-UHFFFAOYSA-N -1 0 381.844 5.014 1 0 GKAFRM O=C([O-])c1cc(-c2ccc(Oc3ccccc3)cc2)nc2cc(F)c(F)cc21 ZINC000096927260 211352009 /nfs/dbraw/zinc/35/20/09/211352009.db2.gz XAMSKIFRYHAJRS-UHFFFAOYSA-N -1 0 377.346 5.671 1 0 GKAFRM Cc1cc(-c2cc(C(=O)[O-])c3cc(F)ccc3n2)cc(C)c1Oc1ccccc1 ZINC000096270333 211327571 /nfs/dbraw/zinc/32/75/71/211327571.db2.gz ZHHCFYMIQHXBFC-UHFFFAOYSA-N -1 0 387.410 6.148 1 0 GKAFRM O=C([O-])c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc21 ZINC000095597457 211280733 /nfs/dbraw/zinc/28/07/33/211280733.db2.gz RYPLJKONCYQJFW-UHFFFAOYSA-N -1 0 379.843 5.684 1 0 GKAFRM Cc1c(Oc2ccc(Cl)cc2)c2c(cccc2-c2ccccc2)n1CC(=O)[O-] ZINC000073167902 211125604 /nfs/dbraw/zinc/12/56/04/211125604.db2.gz PBGVYGZYNYDMMO-UHFFFAOYSA-N -1 0 391.854 6.147 1 0 GKAFRM Cc1c(Oc2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc2n1CC(=O)[O-] ZINC000073195964 211125454 /nfs/dbraw/zinc/12/54/54/211125454.db2.gz MOMVCWJBFVNKBI-UHFFFAOYSA-N -1 0 383.753 5.499 1 0 GKAFRM Nc1cccc(Cn2c3ccc(Cl)cc3c(-c3ccccc3F)c2C(=O)[O-])c1 ZINC000072181329 211081183 /nfs/dbraw/zinc/08/11/83/211081183.db2.gz JELKTZRDZGHHJR-UHFFFAOYSA-N -1 0 394.833 5.430 1 0 GKAFRM Cc1cccc(C)c1-c1cccc(COc2ccc(C[C@H](F)C(=O)[O-])cc2)c1 ZINC000066112787 211002177 /nfs/dbraw/zinc/00/21/77/211002177.db2.gz FXHPDLDFBDUXRW-QFIPXVFZSA-N -1 0 378.443 5.515 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc([C@H]3CCCc4oc(/C=C/C(=O)[O-])nc43)ccc21 ZINC000013560371 206981820 /nfs/dbraw/zinc/98/18/20/206981820.db2.gz FGQBLCYSBHFGFH-SIFUEBAJSA-N -1 0 379.500 5.590 1 0 GKAFRM CC(C)(CC(=O)[O-])Cc1nc2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 ZINC000013826771 207001053 /nfs/dbraw/zinc/00/10/53/207001053.db2.gz PHASCUSFBYSGGX-UHFFFAOYSA-N -1 0 391.298 5.435 1 0 GKAFRM CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@@H](CC(=O)[O-])CC3 ZINC000035259141 210676138 /nfs/dbraw/zinc/67/61/38/210676138.db2.gz YYAWOSLKARYYMV-CQSZACIVSA-N -1 0 399.849 5.189 1 0 GKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1c(Oc3ccccc3)cccc1-2 ZINC000026840465 207319628 /nfs/dbraw/zinc/31/96/28/207319628.db2.gz PYIIIPOSJPARON-UHFFFAOYSA-N -1 0 385.394 5.630 1 0 GKAFRM CC1(C)CCOc2ccc(/C(=C/c3ccc(C(=O)[O-])cc3)C(F)(F)F)cc21 ZINC000027436968 207326334 /nfs/dbraw/zinc/32/63/34/207326334.db2.gz BSNSCSZFIHGDHF-WJDWOHSUSA-N -1 0 376.374 5.548 1 0 GKAFRM O=C([O-])CCc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000028464985 207341758 /nfs/dbraw/zinc/34/17/58/207341758.db2.gz USRKIASFVMKVLF-UHFFFAOYSA-N -1 0 376.496 5.544 1 0 GKAFRM [O-]c1c(Cl)cc(Cl)cc1-c1n[nH]c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000029567683 207364741 /nfs/dbraw/zinc/36/47/41/207364741.db2.gz RCCGJEWZJGAFAX-UHFFFAOYSA-N -1 0 375.042 5.458 1 0 GKAFRM CC(/C=C/C=C(\C)C(=O)Nc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)=C\C(=O)[O-] ZINC000029554545 210548599 /nfs/dbraw/zinc/54/85/99/210548599.db2.gz ZSROVGXNOISSBQ-UQINMRJASA-N -1 0 397.559 6.062 1 0 GKAFRM CC(C)CCC[C@H](C)CCOc1ccc(CCc2cccc(O)c2C(=O)[O-])cc1 ZINC000082157992 208081455 /nfs/dbraw/zinc/08/14/55/208081455.db2.gz NJFNJBVPJBPZOE-IBGZPJMESA-N -1 0 398.543 6.107 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(N3CCN(c4ccc(C(=O)[O-])cc4)C3=O)ccc21 ZINC000028362545 210527355 /nfs/dbraw/zinc/52/73/55/210527355.db2.gz CXOUGJFMQLEKTP-UHFFFAOYSA-N -1 0 392.499 5.180 1 0 GKAFRM O=C([O-])c1sc2cccc(Cl)c2c1CCCOc1cccc2ccccc21 ZINC000095597214 208235796 /nfs/dbraw/zinc/23/57/96/208235796.db2.gz JJQKEUXKXRKWFY-UHFFFAOYSA-N -1 0 396.895 6.418 1 0 GKAFRM Cc1c(C(F)(F)F)cc(NC(=O)c2cc(Cl)ccc2[O-])cc1C(F)(F)F ZINC000095597517 208236377 /nfs/dbraw/zinc/23/63/77/208236377.db2.gz MIWDTWVEGVCOSG-UHFFFAOYSA-N -1 0 397.702 5.644 1 0 GKAFRM Cc1cccc2c1[nH]c(C(=O)[O-])c2Sc1cc(Cl)c(Cl)cc1Cl ZINC000095585759 208236898 /nfs/dbraw/zinc/23/68/98/208236898.db2.gz YVSBDRKPHCAOHQ-UHFFFAOYSA-N -1 0 386.687 6.286 1 0 GKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[O-])ccc1Cl ZINC000095596835 208237236 /nfs/dbraw/zinc/23/72/36/208237236.db2.gz QCVCOYWNENRIEG-UHFFFAOYSA-N -1 0 378.255 5.493 1 0 GKAFRM O=C([O-])c1cccc(CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)c1 ZINC000095585987 208237302 /nfs/dbraw/zinc/23/73/02/208237302.db2.gz MBQZCRIKUPDPSI-NRFANRHFSA-N -1 0 389.476 5.155 1 0 GKAFRM O=C([O-])CC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1 ZINC000026673865 210502615 /nfs/dbraw/zinc/50/26/15/210502615.db2.gz OACQOVJYNXDBFC-UHFFFAOYSA-N -1 0 389.495 5.782 1 0 GKAFRM Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)[O-] ZINC000098208482 208369867 /nfs/dbraw/zinc/36/98/67/208369867.db2.gz BCLKGXWEVQRUHG-FQEVSTJZSA-N -1 0 383.875 5.804 1 0 in-vitro GKAFRM CC(C)c1cc(Oc2c(Cl)cc(N[C@@H](C)C(=O)[O-])cc2Cl)ccc1O ZINC000013602464 221277288 /nfs/dbraw/zinc/27/72/88/221277288.db2.gz LNFCAMOHEJAHKM-JTQLQIEISA-N -1 0 384.259 5.500 1 0 GKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1O[C@H](C(=O)[O-])c1ccccc1 ZINC000013539313 221271221 /nfs/dbraw/zinc/27/12/21/221271221.db2.gz PPPKYQKKFVGHDU-HNNXBMFYSA-N -1 0 379.334 5.004 1 0 GKAFRM CC(C)(C)c1ccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CCC3)cc2Cl)cc1 ZINC000013534167 221272326 /nfs/dbraw/zinc/27/23/26/221272326.db2.gz LNLNINYEZCZTON-UHFFFAOYSA-N -1 0 397.902 5.808 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4oc(/C=C/C(=O)[O-])nc43)ccc21 ZINC000013560370 221273068 /nfs/dbraw/zinc/27/30/68/221273068.db2.gz FGQBLCYSBHFGFH-OFAQMXQXSA-N -1 0 379.500 5.590 1 0 GKAFRM C/C(=C\C(=O)[O-])c1cc2c(o1)CCC[C@H]2c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000013560364 221273216 /nfs/dbraw/zinc/27/32/16/221273216.db2.gz DOSXLPGCGUQSGK-QCUIPMNBSA-N -1 0 392.539 6.585 1 0 GKAFRM CC(C)(C)c1cc(-c2nnc(SCCC(=O)[O-])s2)cc(C(C)(C)C)c1O ZINC000013796372 221289172 /nfs/dbraw/zinc/28/91/72/221289172.db2.gz LYUFHAMCUYJDTD-UHFFFAOYSA-N -1 0 394.562 5.073 1 0 GKAFRM O=C(Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2)c1cccs1 ZINC000013661154 221279329 /nfs/dbraw/zinc/27/93/29/221279329.db2.gz HYULRUZIPDKWDT-UHFFFAOYSA-N -1 0 397.839 5.133 3 0 GKAFRM Cc1ccc2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)[O-])cc21 ZINC000013727107 221285792 /nfs/dbraw/zinc/28/57/92/221285792.db2.gz VDSMOOPRIAITAZ-KEBDBYFISA-N -1 0 396.446 5.067 1 0 GKAFRM CC(/C=C/C1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)OCCO1)=C\C(=O)[O-] ZINC000013743087 221286669 /nfs/dbraw/zinc/28/66/69/221286669.db2.gz HAFGXEJYVGRDJJ-YWRSBGDESA-N -1 0 384.516 5.131 1 0 GKAFRM O=c1oc2ccccc2c([O-])c1CCCN(c1ccccc1)c1ccc(F)cc1 ZINC000013738189 221287307 /nfs/dbraw/zinc/28/73/07/221287307.db2.gz IBXYGSVWJCTCJC-UHFFFAOYSA-N -1 0 389.426 5.409 1 0 GKAFRM CC(C)=CCN1c2ccccc2Nc2c(C(=O)[O-])cc(C(=O)c3ccccc3)cc21 ZINC000073280737 136171508 /nfs/dbraw/zinc/17/15/08/136171508.db2.gz CGHBGVXAUJZYFF-UHFFFAOYSA-N -1 0 398.462 5.777 1 0 GKAFRM CCCc1cccc2cc(-c3ccc(-c4ccc5cc(C(=O)[O-])ccc5c4)[nH]3)oc21 ZINC000029466929 221694366 /nfs/dbraw/zinc/69/43/66/221694366.db2.gz PJSKRSHQUKSNIU-UHFFFAOYSA-N -1 0 395.458 6.899 1 0 GKAFRM CSc1cccc2c3c(n(Cc4ccc(Cl)cc4)c21)[C@@H](CC(=O)[O-])CCC3 ZINC000034284963 221799608 /nfs/dbraw/zinc/79/96/08/221799608.db2.gz CGSLOOCFBLEGKW-OAHLLOKOSA-N -1 0 399.943 5.960 1 0 GKAFRM O=c1c(OCc2ccccc2Cl)c(-c2ccccc2)oc2cc([O-])cc(O)c12 ZINC000064512553 222072715 /nfs/dbraw/zinc/07/27/15/222072715.db2.gz QCLFHWZABLRYED-UHFFFAOYSA-N -1 0 394.810 5.104 1 0 GKAFRM O=C([O-])CC1=C/C(=C\c2ccc(-c3ccc(F)nc3)cc2)c2ccc(F)cc21 ZINC000084725927 222322239 /nfs/dbraw/zinc/32/22/39/222322239.db2.gz JEHJFFOTAHBVPB-RQZCQDPDSA-N -1 0 375.374 5.439 1 0 GKAFRM CC(=O)c1ccc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000084723263 222322103 /nfs/dbraw/zinc/32/21/03/222322103.db2.gz HRERCAIHZFINDA-UHFFFAOYSA-N -1 0 391.267 5.369 1 0 GKAFRM O=C([O-])Cc1cn(Cc2cccc(Cl)c2)c2cc(-c3ccccc3)ccc12 ZINC000103264225 222494181 /nfs/dbraw/zinc/49/41/81/222494181.db2.gz PZEPKLRTQLSWTI-UHFFFAOYSA-N -1 0 375.855 5.637 1 0 GKAFRM O=C([O-])/C=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000169330191 222534346 /nfs/dbraw/zinc/53/43/46/222534346.db2.gz RYJUHLSYFSHUBK-LFIBNONCSA-N -1 0 399.877 6.563 1 0 GKAFRM C/C(=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(\C)C(=O)[O-] ZINC000085589229 571784229 /nfs/dbraw/zinc/78/42/29/571784229.db2.gz MEZYOZBFEXYIKB-ASKDMKCJSA-N -1 0 386.532 5.939 1 0 endogenous,in-man GKAFRM Cc1c(C)c2c(cc1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)C(=O)[O-])O2 ZINC000085589232 571784261 /nfs/dbraw/zinc/78/42/61/571784261.db2.gz ODQOKHVJIYTOQE-NXHTTZLHSA-N -1 0 376.537 5.790 1 0 endogenous,in-man GKAFRM Cc1c(N(C)c2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029462451 581093656 /nfs/dbraw/zinc/09/36/56/581093656.db2.gz KDDKBCGSHLAYRT-UHFFFAOYSA-N -1 0 386.426 5.815 1 0 GKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCc3nc(-c4ccccc4)oc3C)ccc21 ZINC000028566157 581097513 /nfs/dbraw/zinc/09/75/13/581097513.db2.gz GVDFGDCUSRRJAW-CTNGQTDRSA-N -1 0 391.467 5.370 1 0 GKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCc3cc(-c4ccccc4)on3)ccc21 ZINC000028565865 581097546 /nfs/dbraw/zinc/09/75/46/581097546.db2.gz RDUZREOUPIAMIS-PZJWPPBQSA-N -1 0 377.440 5.061 1 0 GKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCc3nc(-c4ccccc4)oc3C)ccc21 ZINC000028566159 581097577 /nfs/dbraw/zinc/09/75/77/581097577.db2.gz GVDFGDCUSRRJAW-PZJWPPBQSA-N -1 0 391.467 5.370 1 0 GKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1SCc1cc(-c3ccccc3)ccc1-2 ZINC000026841412 581101388 /nfs/dbraw/zinc/10/13/88/581101388.db2.gz HGIROOJCNBEDSY-UHFFFAOYSA-N -1 0 387.435 6.012 1 0 GKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccncc3)c2)c(Cl)c1 ZINC000014969267 210135500 /nfs/dbraw/zinc/13/55/00/210135500.db2.gz PUUWWSIUTRYHMF-UHFFFAOYSA-N -1 0 390.222 5.180 1 0 GKAFRM CCOc1cc2c(cc1/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC2(C)C ZINC000013757374 210088313 /nfs/dbraw/zinc/08/83/13/210088313.db2.gz FBMOYGVRPZARPX-SFTNPHNRSA-N -1 0 382.544 6.425 1 0 GKAFRM C=C(c1ccc2cc(C(=O)[O-])ccc2c1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000013604268 210072424 /nfs/dbraw/zinc/07/24/24/210072424.db2.gz RPYMHWFQSVJQFW-UHFFFAOYSA-N -1 0 384.519 6.949 1 0 GKAFRM O=C([O-])c1cc2cccc(C(F)(F)F)c2n1Cc1ccc(Cl)c(Cl)c1 ZINC000013588877 210071316 /nfs/dbraw/zinc/07/13/16/210071316.db2.gz AVCNZVYXTKACMS-UHFFFAOYSA-N -1 0 388.172 5.713 1 0 GKAFRM CCCC[C@H](O)[C@H](O)/C=C/C=C/CCCC[C@@H](CCC(=O)[O-])CCC(C)C ZINC000085491006 291149067 /nfs/dbraw/zinc/14/90/67/291149067.db2.gz COCKSXAGUMDFJZ-YHLWJSQNSA-N -1 0 382.585 5.488 1 0 biogenic,in-vitro GKAFRM O=C([O-])c1cc(-c2ccsc2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000001491415 209330784 /nfs/dbraw/zinc/33/07/84/209330784.db2.gz KJGSSQSJEYSUAH-UHFFFAOYSA-N -1 0 392.263 5.672 1 0 GKAFRM Cc1ccnc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000003790681 209229740 /nfs/dbraw/zinc/22/97/40/209229740.db2.gz VWWMGPCUZVOLLK-UHFFFAOYSA-N -1 0 383.451 5.031 1 0 investigational GKAFRM COc1c(Cl)c(C)c2c(c1Cl)OC(=O)c1c(C)c(Cl)c([O-])cc1O2 ZINC000015122057 209192016 /nfs/dbraw/zinc/19/20/16/209192016.db2.gz LSRZUHYIVQJJRO-UHFFFAOYSA-N -1 0 389.618 5.303 1 0 GKAFRM Cc1c(N2CCc3c2cccc3-c2ccccc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000001890879 203921822 /nfs/dbraw/zinc/92/18/22/203921822.db2.gz HLUAHLOPZWYSRV-UHFFFAOYSA-N -1 0 398.437 5.742 1 0 GKAFRM O=C([O-])COc1c(Cl)c2onc(-c3ccccc3F)c2c(Cl)c1Cl ZINC000027441838 204855604 /nfs/dbraw/zinc/85/56/04/204855604.db2.gz DXVKRVDJYIKOOC-UHFFFAOYSA-N -1 0 390.581 5.058 1 0 GKAFRM C/C(=C\[C@@H]1C=C(C)[C@@H]2CC[C@H](C)[C@H]2[C@]12OC(=O)C(C)=C2[O-])CCCc1ccoc1 ZINC000033849412 204967766 /nfs/dbraw/zinc/96/77/66/204967766.db2.gz ONJNDTZVKWTRJZ-IWXYGBGISA-N -1 0 396.527 5.915 1 0 GKAFRM O=C([O-])c1c(O)c(Nc2ccc(Cl)cc2)nc2c1cccc2C(F)(F)F ZINC000035087172 204982297 /nfs/dbraw/zinc/98/22/97/204982297.db2.gz ZRMJWKLGLLIHPU-UHFFFAOYSA-N -1 0 382.725 5.054 1 0 GKAFRM CCC(=O)c1cc([C@@H](C)CC)c(O[C@H](C(=O)[O-])c2ccccc2)c([C@@H](C)CC)c1 ZINC000038152393 205036533 /nfs/dbraw/zinc/03/65/33/205036533.db2.gz GMWSUUCGADWYGZ-QQMNAOGKSA-N -1 0 396.527 6.511 1 0 GKAFRM Cc1ccccc1COc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040916862 205076021 /nfs/dbraw/zinc/07/60/21/205076021.db2.gz SOCVEUAWDMSHCJ-GPXOXTDOSA-N -1 0 378.512 5.669 1 0 GKAFRM CCCN(C/C=C/C(C)=C/C(=O)[O-])c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000053268224 205134579 /nfs/dbraw/zinc/13/45/79/205134579.db2.gz DZMJXDNARSAZFB-FMAJSODUSA-N -1 0 383.576 6.011 1 0 GKAFRM O=C([O-])C[C@H](Cc1nc2cc(-c3ccccc3)ccc2[nH]1)c1ccc(Cl)cc1 ZINC000072116216 205305867 /nfs/dbraw/zinc/30/58/67/205305867.db2.gz HLOAXXBKQYVSEQ-SFHVURJKSA-N -1 0 390.870 5.684 1 0 GKAFRM O=c1cc(-c2ccccc2)oc([O-])c1[C@H](Sc1ccccc1)c1ccccc1 ZINC000100993118 211394721 /nfs/dbraw/zinc/39/47/21/211394721.db2.gz BYKCWTOTYWVLCN-HSZRJFAPSA-N -1 0 386.472 5.894 1 0 GKAFRM O=c1[nH]c2cc(-c3ccccc3)ccc2c2[n-]c(-c3c(F)cccc3Cl)nc21 ZINC000096270704 211327581 /nfs/dbraw/zinc/32/75/81/211327581.db2.gz VTGCIWWYBFGGNJ-UHFFFAOYSA-N -1 0 389.817 5.531 1 0 in-vitro GKAFRM O=C(Nc1cccc(C(F)(F)F)c1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000095596251 211281275 /nfs/dbraw/zinc/28/12/75/211281275.db2.gz NJXJDTFKZINHEQ-UHFFFAOYSA-N -1 0 383.675 5.336 1 0 GKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(C(=O)NC3CCCCC3)c2c1 ZINC000095556242 211277282 /nfs/dbraw/zinc/27/72/82/211277282.db2.gz YURLHNIGBVQOEX-CYBMUJFWSA-N -1 0 398.890 5.526 1 0 GKAFRM O=C([O-])c1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 ZINC000082156117 211163280 /nfs/dbraw/zinc/16/32/80/211163280.db2.gz QZEFMXVLUXINLH-UHFFFAOYSA-N -1 0 390.439 5.276 1 0 GKAFRM Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ccc2n1[C@H](C)C(=O)[O-] ZINC000073196621 211125756 /nfs/dbraw/zinc/12/57/56/211125756.db2.gz GVHRZHLSKWKBKG-LLVKDONJSA-N -1 0 380.296 6.053 1 0 GKAFRM CC(C)=CCCC(C)=Cc1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc12 ZINC000072179433 211081669 /nfs/dbraw/zinc/08/16/69/211081669.db2.gz FBCQWGIDVQZCAN-FOWTUZBSSA-N -1 0 376.452 6.021 1 0 GKAFRM CCOc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1 ZINC000066104329 211002643 /nfs/dbraw/zinc/00/26/43/211002643.db2.gz YHXZNEINGMVCBQ-QGZVFWFLSA-N -1 0 398.764 5.197 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4sc(/C=C/C(=O)[O-])cc43)ccc21 ZINC000013560353 206981684 /nfs/dbraw/zinc/98/16/84/206981684.db2.gz IQLISKYOLFJFEL-CKDFRHGISA-N -1 0 394.580 6.663 1 0 GKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](C(C)C)[C@H](C)C(=O)[O-])cc1 ZINC000013756201 206998025 /nfs/dbraw/zinc/99/80/25/206998025.db2.gz GDXDTAJSARIJCP-LAUBAEHRSA-N -1 0 393.531 5.119 1 0 GKAFRM O=C([O-])c1ccc2cc(-c3cccc(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 ZINC000040867051 210796060 /nfs/dbraw/zinc/79/60/60/210796060.db2.gz PAUUABBTUMLNCS-UHFFFAOYSA-N -1 0 382.503 6.673 1 0 GKAFRM Cc1ccc(-c2ccc3c(c2)[nH]c2c3CCc3cc(C(=O)[O-])c(O)cc3-2)cc1C ZINC000034893962 210670764 /nfs/dbraw/zinc/67/07/64/210670764.db2.gz FEANZFGLIXKDJJ-UHFFFAOYSA-N -1 0 383.447 5.621 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(N(CC3CC3)c3ccc(C(=O)[O-])cc3)ccc21 ZINC000034471674 210658923 /nfs/dbraw/zinc/65/89/23/210658923.db2.gz FKMMQTPCKCNUIL-UHFFFAOYSA-N -1 0 377.528 6.282 1 0 GKAFRM CCCCCCC(=O)c1ccc([O-])c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1 ZINC000026187950 207310810 /nfs/dbraw/zinc/31/08/10/207310810.db2.gz RCMOGCMADDNZFP-UHFFFAOYSA-N -1 0 390.405 6.107 1 0 GKAFRM C/C(=C\C(=O)[O-])c1ccc2scc(-c3cc(C(C)C)cc(C(C)C)c3O)c2c1 ZINC000026658615 207317500 /nfs/dbraw/zinc/31/75/00/207317500.db2.gz NMHQVMAYMWJCJH-OVCLIPMQSA-N -1 0 394.536 7.009 1 0 GKAFRM CC(/C=C/C1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CCCC1)=C\C(=O)[O-] ZINC000026663419 207317627 /nfs/dbraw/zinc/31/76/27/207317627.db2.gz NSUMJVKYPHTODI-FPIZNTTDSA-N -1 0 380.572 6.743 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(N(CC3CC3)c3ncc(C(=O)[O-])cn3)ccc21 ZINC000027072854 207321940 /nfs/dbraw/zinc/32/19/40/207321940.db2.gz IONNZWGEVFITGF-UHFFFAOYSA-N -1 0 379.504 5.072 1 0 GKAFRM Cc1ccnc2c1nc(C1CCC1)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026269888 207311972 /nfs/dbraw/zinc/31/19/72/207311972.db2.gz NWJAMBOMQUEYLH-UHFFFAOYSA-N -1 0 397.478 5.421 1 0 GKAFRM O=C1Nc2ccc(-c3ccccc3)cc2/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000026379697 207313354 /nfs/dbraw/zinc/31/33/54/207313354.db2.gz FWRONJFWBOKLJC-PXNMLYILSA-N -1 0 382.246 5.859 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc3c(ccn3C(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000026382420 207313732 /nfs/dbraw/zinc/31/37/32/207313732.db2.gz QNHDUDVKCSJIOJ-UHFFFAOYSA-N -1 0 375.468 5.377 1 0 GKAFRM C[C@]1(C2CCCC2)Cc2cc(OCCCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000026492656 207315025 /nfs/dbraw/zinc/31/50/25/207315025.db2.gz PXWSOXCFMXFTSE-LJQANCHMSA-N -1 0 385.287 5.172 1 0 GKAFRM Cc1cc(Cl)cc2nc(-c3ccc(Br)cc3)cc(C(=O)[O-])c12 ZINC000027620096 207328357 /nfs/dbraw/zinc/32/83/57/207328357.db2.gz GLZCFQBZWMFBMI-UHFFFAOYSA-N -1 0 376.637 5.324 1 0 GKAFRM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2cc(Cl)cc(Cl)c21 ZINC000027620879 207328594 /nfs/dbraw/zinc/32/85/94/207328594.db2.gz HQKJAPNOOSHIBL-UHFFFAOYSA-N -1 0 397.055 5.669 1 0 GKAFRM Cc1c2cc(C(C)C)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028344837 207341260 /nfs/dbraw/zinc/34/12/60/207341260.db2.gz JSMIPVBJYCICGW-UHFFFAOYSA-N -1 0 397.946 6.428 1 0 GKAFRM CC(C)c1cccc(-n2c3ccccc3c(Oc3cccc(O)c3)c2C(=O)[O-])c1 ZINC000028528492 207343551 /nfs/dbraw/zinc/34/35/51/207343551.db2.gz PGOMXFXBEQSPOD-UHFFFAOYSA-N -1 0 387.435 5.950 1 0 GKAFRM CSc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(C)c(C(=O)[O-])c2c1 ZINC000029327708 207360712 /nfs/dbraw/zinc/36/07/12/207360712.db2.gz CVTLKAVQQIURAK-UHFFFAOYSA-N -1 0 385.488 6.297 1 0 GKAFRM Cc1cccc(C)c1-c1ccc2c(c1)[nH]c1c2CCc2cc(C(=O)[O-])c(O)cc2-1 ZINC000034893963 207478619 /nfs/dbraw/zinc/47/86/19/207478619.db2.gz JKTYCBUCLGAIIJ-UHFFFAOYSA-N -1 0 383.447 5.621 1 0 GKAFRM Cc1ccc(-n2c(=S)[n-]nc2Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000049069418 207707562 /nfs/dbraw/zinc/70/75/62/207707562.db2.gz RLPCIRPDHZAQAU-UHFFFAOYSA-N -1 0 399.932 5.759 1 0 GKAFRM Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CC[C@H]3CC(=O)[O-])c1 ZINC000059570113 207784233 /nfs/dbraw/zinc/78/42/33/207784233.db2.gz BHRKGZMWOJNDKC-NRFANRHFSA-N -1 0 386.491 6.054 1 0 GKAFRM CCC(CC)CN1C(=O)S/C(=C\c2cc(F)c([O-])c(C(F)(F)F)c2)C1=O ZINC000084703590 208099158 /nfs/dbraw/zinc/09/91/58/208099158.db2.gz LBLMEBKEGSXFED-QPEQYQDCSA-N -1 0 391.386 5.023 1 0 GKAFRM CC1(C)CCSc2ccc(/C(=C/c3ccc(C(=O)[O-])cc3)C(F)(F)F)cc21 ZINC000027440900 210513039 /nfs/dbraw/zinc/51/30/39/210513039.db2.gz KDNYHJVBYNMARH-WJDWOHSUSA-N -1 0 392.442 6.261 1 0 GKAFRM O=C([O-])c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc2ccc(F)cc21 ZINC000096927270 208330329 /nfs/dbraw/zinc/33/03/29/208330329.db2.gz LYUCYJDZCLIFCN-UHFFFAOYSA-N -1 0 393.801 6.185 1 0 GKAFRM COCC[C@@H]1CCCCCc2c(=O)c([C@@H](c3ccccc3)C3CC3)c([O-])oc21 ZINC000100712897 208379769 /nfs/dbraw/zinc/37/97/69/208379769.db2.gz PWRKJCNAIMTCSX-ICSRJNTNSA-N -1 0 382.500 5.124 1 0 GKAFRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCC(=O)[O-] ZINC000008689969 221049779 /nfs/dbraw/zinc/04/97/79/221049779.db2.gz CPDDSLGNODDGEH-DOFZRALJSA-N -1 0 389.580 6.113 1 0 GKAFRM O=C([O-])c1cc2cc(Cl)ccc2n1Cc1ccc(OCc2ccccc2)cc1 ZINC000013588858 221275269 /nfs/dbraw/zinc/27/52/69/221275269.db2.gz ZSXAPXAAMXLVET-UHFFFAOYSA-N -1 0 391.854 5.620 1 0 GKAFRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013531816 221272106 /nfs/dbraw/zinc/27/21/06/221272106.db2.gz SLKINRYPDMWIAL-UHFFFAOYSA-N -1 0 392.255 5.066 1 0 GKAFRM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000013555568 221272737 /nfs/dbraw/zinc/27/27/37/221272737.db2.gz GBPAYDKUANOLLL-UHFFFAOYSA-N -1 0 384.568 5.624 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc([C@H]3CCCc4sc(CCC(=O)[O-])cc43)ccc21 ZINC000013560362 221272919 /nfs/dbraw/zinc/27/29/19/221272919.db2.gz DZGIOQCOHRMFAU-GOSISDBHSA-N -1 0 396.596 6.583 1 0 GKAFRM CC(C)c1cc2c(cc1C(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013738442 221286379 /nfs/dbraw/zinc/28/63/79/221286379.db2.gz SWBYVNBRVWWFJT-UHFFFAOYSA-N -1 0 378.512 6.088 1 0 GKAFRM O=C([O-])c1ccc(C(=O)c2ccc(C(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013740016 221287370 /nfs/dbraw/zinc/28/73/70/221287370.db2.gz HGAPUOSEMOWPNU-UHFFFAOYSA-N -1 0 399.229 5.154 1 0 GKAFRM CCC[C@]1(CC(=O)[O-])OCCc2c1sc1c2c(Br)ccc1C ZINC000014209384 221304691 /nfs/dbraw/zinc/30/46/91/221304691.db2.gz OBXCXCHHUAKXBV-QGZVFWFLSA-N -1 0 383.307 5.015 1 0 GKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccc3)c2)c(Cl)c1 ZINC000014969213 221321482 /nfs/dbraw/zinc/32/14/82/221321482.db2.gz SQDDKKYHCKRAHR-UHFFFAOYSA-N -1 0 389.234 5.785 1 0 GKAFRM Cc1cc(O)c(C23CC4CC(CC(C4)C2)C3)cc1-c1ccc(/C=C/C(=O)[O-])cc1 ZINC000028460605 221677638 /nfs/dbraw/zinc/67/76/38/221677638.db2.gz QRYSIAYYMVFERL-QPJJXVBHSA-N -1 0 388.507 5.933 1 0 GKAFRM C/C(=C\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C ZINC000029236690 221690853 /nfs/dbraw/zinc/69/08/53/221690853.db2.gz ZMSVHSPBTBNKJJ-NTCAYCPXSA-N -1 0 382.931 6.948 1 0 GKAFRM CCC[C@@H](CC1(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CCCC1)C(=O)[O-] ZINC000034803426 221805344 /nfs/dbraw/zinc/80/53/44/221805344.db2.gz WSDCIGACRZUZGK-BHIFYINESA-N -1 0 399.575 5.356 1 0 GKAFRM O=C([O-])C[C@@H](Cc1nc2c(cc(Cl)cc2Cl)[nH]1)c1ccc(Cl)cc1 ZINC000072116820 222207383 /nfs/dbraw/zinc/20/73/83/222207383.db2.gz WMLLAHSMFYNLLO-SNVBAGLBSA-N -1 0 383.662 5.324 1 0 GKAFRM CC(C)Oc1ccc(-c2nc3cc(CCCCC(=O)[O-])cnc3o2)cc1Cl ZINC000084652813 222319283 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GKAFRM CC1=C[C@@H]2c3c(O)c(C(=O)[O-])c(CCc4ccccc4)cc3OC(C)(C)[C@@H]2CC1 ZINC000014649980 291146351 /nfs/dbraw/zinc/14/63/51/291146351.db2.gz OWFXHGABDKORFT-RBUKOAKNSA-N -1 0 392.495 5.487 1 0 biogenic,in-vitro GKAFRM Cc1c(C)c(C=O)c(C)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1O ZINC000001551129 209332854 /nfs/dbraw/zinc/33/28/54/209332854.db2.gz ONLZZJQCIFFEMP-LJQANCHMSA-N -1 0 386.463 5.436 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)[O-])cc4)no3)ccc21 ZINC000001550775 212249064 /nfs/dbraw/zinc/24/90/64/212249064.db2.gz WBCIOPIRIDDQSE-UHFFFAOYSA-N -1 0 375.468 6.056 1 0 GKAFRM Cc1ccc(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)[O-])C(C)C)cc1 ZINC000003648491 204017116 /nfs/dbraw/zinc/01/71/16/204017116.db2.gz LRHXIDOGMBZJFN-UHFFFAOYSA-N -1 0 379.481 5.477 1 0 in-vivo GKAFRM O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c21)CCCCC3 ZINC000003961888 204022700 /nfs/dbraw/zinc/02/27/00/204022700.db2.gz XBEYMPQYMQFLBW-UHFFFAOYSA-N -1 0 387.401 5.676 1 0 GKAFRM CC(C)CC=C1CCC2(CC1)SC[C@@H](C(=O)[O-])N2C(=O)CCCC(C)C ZINC000013678354 204502203 /nfs/dbraw/zinc/50/22/03/204502203.db2.gz BPGUSGMKVDXCDQ-YMXDCFFPSA-N -1 0 381.582 5.084 1 0 GKAFRM CC(C)CCC=C1CCC2(CC1)SC[C@@H](C(=O)[O-])N2C(=O)CCC(C)C ZINC000013678352 204502610 /nfs/dbraw/zinc/50/26/10/204502610.db2.gz QZYRRGACMDRZDK-YMXDCFFPSA-N -1 0 381.582 5.084 1 0 GKAFRM CO[C@@H]1O[C@H](OC)c2ccc([C@@]3(C)CCCC(C)(C)C3)c([C@@H](C)C(=O)[O-])c21 ZINC000014588298 204537983 /nfs/dbraw/zinc/53/79/83/204537983.db2.gz GRCQGWSFSFNRFC-TWYVEXAOSA-N -1 0 376.493 5.053 1 0 GKAFRM C[C@]1(C2CCCC2)Cc2cc(OC3(C(=O)[O-])CCC3)c(Cl)c(Cl)c2C1=O ZINC000027650050 204859973 /nfs/dbraw/zinc/85/99/73/204859973.db2.gz SZEUNRLOMWPOGP-LJQANCHMSA-N -1 0 397.298 5.315 1 0 GKAFRM C/C(=C/c1ccc(C(=O)[O-])cc1)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000036766910 205022076 /nfs/dbraw/zinc/02/20/76/205022076.db2.gz FMXQRDBLCLYHLF-PXNMLYILSA-N -1 0 388.507 6.119 1 0 GKAFRM CC(C)c1cc2c(cc1Nc1ccccc1)C[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1C2 ZINC000040392364 205062245 /nfs/dbraw/zinc/06/22/45/205062245.db2.gz FIUGTKXGHWQTPV-LGPLSSKUSA-N -1 0 391.555 6.550 1 0 GKAFRM CC(C)c1cc2c(cc1NC(=O)C1CC1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040428666 205065740 /nfs/dbraw/zinc/06/57/40/205065740.db2.gz UTASTTRQSJUNBV-AGILITTLSA-N -1 0 383.532 5.253 1 0 GKAFRM O=C([O-])CCCCSc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 ZINC000040632113 205067550 /nfs/dbraw/zinc/06/75/50/205067550.db2.gz HQASBWYTJWAXKM-UHFFFAOYSA-N -1 0 392.883 5.224 1 0 GKAFRM O=C([O-])c1ccc2c(c1)[C@@H]1CCCC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000049035488 205125653 /nfs/dbraw/zinc/12/56/53/205125653.db2.gz XKQLYSPMPBQIAA-TYILLQQXSA-N -1 0 376.283 6.132 1 0 GKAFRM Cc1cccc(C)c1COc1ccc2c(c1)cc(C(=O)[O-])cc2-c1ccsc1 ZINC000071316439 205281091 /nfs/dbraw/zinc/28/10/91/205281091.db2.gz VQPZAISPIXNHAJ-UHFFFAOYSA-N -1 0 388.488 6.462 1 0 GKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cn1 ZINC000072112233 205304583 /nfs/dbraw/zinc/30/45/83/205304583.db2.gz RETFPGILOCCGSC-GQCTYLIASA-N -1 0 375.468 5.020 1 0 GKAFRM CC(C)=CCCC(C)=Cc1c([O-])cc2oc(-c3ccccc3)cc(=O)c2c1O ZINC000072179432 205317513 /nfs/dbraw/zinc/31/75/13/205317513.db2.gz AEVYUYBCKNILQM-FOWTUZBSSA-N -1 0 376.452 6.021 1 0 GKAFRM O=C([O-])/C=C/c1ccc2c(c1)[nH]c1cc(O)c(C34CC5CC(CC(C5)C3)C4)cc12 ZINC000082151471 205389815 /nfs/dbraw/zinc/38/98/15/205389815.db2.gz BHPDTXAVYQJVBR-DUXPYHPUSA-N -1 0 387.479 5.592 1 0 GKAFRM Cn1ccc2ccc(-c3ccc4ccn(Cc5cccc(C(=O)[O-])c5)c4c3)cc21 ZINC000169348542 205830122 /nfs/dbraw/zinc/83/01/22/205830122.db2.gz JHMNSOFBCBPNQY-UHFFFAOYSA-N -1 0 380.447 5.547 1 0 GKAFRM CC(C)=CCC/C(C)=C/Cc1c(O)cc(CCc2ccccc2)c(C(=O)[O-])c1O ZINC000015120540 206262098 /nfs/dbraw/zinc/26/20/98/206262098.db2.gz UAMAHWUELDAAIA-LDADJPATSA-N -1 0 394.511 5.816 1 0 GKAFRM CC(C)C[C@H]1CCCCCCc2c(O)c([C@@H](c3ccccc3)C3CC3)c(=O)oc21 ZINC000100712742 211388574 /nfs/dbraw/zinc/38/85/74/211388574.db2.gz INJRNRDIGXFCBA-IRLDBZIGSA-N -1 0 394.555 6.524 1 0 GKAFRM O=C([O-])c1ccc(NC(=O)c2cc3cc(c2)CCCCCCCCCC3)cc1 ZINC000096907582 211351084 /nfs/dbraw/zinc/35/10/84/211351084.db2.gz ILMOPWRUYKDZRS-UHFFFAOYSA-N -1 0 379.500 5.857 1 0 GKAFRM Cc1cc(C(=O)c2cccc(Cl)c2)c([O-])c(C(=O)c2cccc(Cl)c2)c1 ZINC000095606561 211282123 /nfs/dbraw/zinc/28/21/23/211282123.db2.gz RJRPUMZIZIUACE-UHFFFAOYSA-N -1 0 385.246 5.469 1 0 GKAFRM O=C([O-])NCCc1c[nH]c2ccc(OCc3ccc(-c4ccccc4)cc3)cc12 ZINC000095596126 211280205 /nfs/dbraw/zinc/28/02/05/211280205.db2.gz LPRQPTZPJQXJBU-UHFFFAOYSA-N -1 0 386.451 5.224 1 0 GKAFRM COc1ccccc1Cn1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)[O-])cc21 ZINC000095555804 211277266 /nfs/dbraw/zinc/27/72/66/211277266.db2.gz QZNDMIVOEURJHT-AWEZNQCLSA-N -1 0 393.870 5.693 1 0 GKAFRM C=C1c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2C(=O)N(C)c2ccc(CC)cc21 ZINC000095553835 211276804 /nfs/dbraw/zinc/27/68/04/211276804.db2.gz CHDXIUFTJYWUOY-UHFFFAOYSA-N -1 0 397.474 5.195 1 0 GKAFRM Cc1ccc(-c2oc3ccc(OCc4ccc(F)cc4)cc3c2C(=O)[O-])cc1 ZINC000084759314 211176551 /nfs/dbraw/zinc/17/65/51/211176551.db2.gz OEFLVSJPYMOYQM-UHFFFAOYSA-N -1 0 376.383 5.825 1 0 GKAFRM COc1ccc(-c2c(C)cccc2C)cc1COc1ccc(CCC(=O)[O-])cc1 ZINC000084669083 211173135 /nfs/dbraw/zinc/17/31/35/211173135.db2.gz FGBYTZIRKQLDCG-UHFFFAOYSA-N -1 0 390.479 5.575 1 0 GKAFRM Cc1cccc(C)c1COc1ccc2c(c1)cc(C(=O)[O-])cc2-c1ccccc1 ZINC000071319419 211045585 /nfs/dbraw/zinc/04/55/85/211045585.db2.gz HIVWZRSQGPEXRC-UHFFFAOYSA-N -1 0 382.459 6.401 1 0 GKAFRM Cc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1F ZINC000066105025 211001796 /nfs/dbraw/zinc/00/17/96/211001796.db2.gz SVSFRUVDCJWHOW-INIZCTEOSA-N -1 0 386.728 5.246 1 0 GKAFRM O=C([O-])C1=Cc2c(ccc(Cl)c2Sc2ccccc2)O[C@@H]1C(F)(F)F ZINC000066259129 211001884 /nfs/dbraw/zinc/00/18/84/211001884.db2.gz VQCXRIZAWVJTQC-HNNXBMFYSA-N -1 0 386.778 5.283 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(-c3ccccc3-c3ccc(C(=O)[O-])cc3)ccc21 ZINC000013832727 207002020 /nfs/dbraw/zinc/00/20/20/207002020.db2.gz KAGVSHRIUMYRQG-UHFFFAOYSA-N -1 0 384.519 7.068 1 0 GKAFRM Cc1cccc(Nc2cc(Cl)nc(S[C@H](C(=O)[O-])c3ccccc3)n2)c1C ZINC000040863204 210797232 /nfs/dbraw/zinc/79/72/32/210797232.db2.gz SABFOCWZUFNJNB-SFHVURJKSA-N -1 0 399.903 5.408 1 0 GKAFRM O=C([O-])C[C@@H]1CCC[C@H]1Cc1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026675343 207318363 /nfs/dbraw/zinc/31/83/63/207318363.db2.gz ABYZPONXFYGWLR-PMACEKPBSA-N -1 0 375.468 5.247 1 0 GKAFRM CCc1sc2ccccc2c1-c1ccc(-c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000027549533 207327364 /nfs/dbraw/zinc/32/73/64/207327364.db2.gz UXYSCJHZRDZQPA-UHFFFAOYSA-N -1 0 388.488 6.261 1 0 GKAFRM CCCc1cc(Cl)c2oc(Cc3ccc(OCC(=O)[O-])cc3)c(C)c2c1O ZINC000028219416 207335769 /nfs/dbraw/zinc/33/57/69/207335769.db2.gz HTSFWUUXXROXSN-UHFFFAOYSA-N -1 0 388.847 5.107 1 0 GKAFRM CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc(C(=O)[O-])cc3)cc2)no1 ZINC000029126276 207355378 /nfs/dbraw/zinc/35/53/78/207355378.db2.gz AXLDZGGQAXSPAH-UHFFFAOYSA-N -1 0 395.415 5.107 1 0 GKAFRM CCCCCC(=O)CCCCCCCCCCNc1ccc(C(=O)[O-])cc1 ZINC000029214192 207357336 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Cc1cc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1/C=C/C(=O)[O-] ZINC000026729112 210503181 /nfs/dbraw/zinc/50/31/81/210503181.db2.gz OBKHFYXYYSPOHD-PKNBQFBNSA-N -1 0 376.496 5.673 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(S(=O)(=O)/C=C/c3ccc(C(=O)[O-])cc3)ccc21 ZINC000026726175 210502795 /nfs/dbraw/zinc/50/27/95/210502795.db2.gz SRKFJCIUNISJHM-SDNWHVSQSA-N -1 0 398.524 5.178 1 0 GKAFRM O=C([O-])c1cc(-c2ccc(Oc3cccc(F)c3)cc2)nc2ccc(F)cc21 ZINC000096927278 208329259 /nfs/dbraw/zinc/32/92/59/208329259.db2.gz WEBJGBYOTXMIDA-UHFFFAOYSA-N -1 0 377.346 5.671 1 0 GKAFRM O=C([O-])c1ccc(C(=O)Nc2cc3cc(c2)CCCCCCCCCC3)cc1 ZINC000096907581 208327916 /nfs/dbraw/zinc/32/79/16/208327916.db2.gz OXFXKFPBFUMIHB-UHFFFAOYSA-N -1 0 379.500 5.857 1 0 GKAFRM C/C(=C/C=C\[C@H](C)CC/C=C(/C)C[C@@H]1OC(=O)C(C)=C1[O-])CCCc1ccoc1 ZINC000101700883 208395463 /nfs/dbraw/zinc/39/54/63/208395463.db2.gz UXFNAATUJSSAHF-NPFBCKIXSA-N -1 0 398.543 6.615 1 0 GKAFRM CCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCCC ZINC000013584609 221276054 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O=C([O-])c1ccc2c(c1)n(Cc1ccccc1)c(-c1ccoc1)c2C1CCCCC1 ZINC000045372491 221963434 /nfs/dbraw/zinc/96/34/34/221963434.db2.gz XDSIPJIXXCQRRG-UHFFFAOYSA-N -1 0 399.490 6.696 1 0 GKAFRM CCCCC1([C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)[O-])CCC1 ZINC000060300506 222059031 /nfs/dbraw/zinc/05/90/31/222059031.db2.gz HIZKSBVCUYYKMS-GRPSDVDKSA-N -1 0 378.553 5.285 1 0 GKAFRM CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2=O ZINC000064573671 222074925 /nfs/dbraw/zinc/07/49/25/222074925.db2.gz RJZPGCJEDRDYHU-MISYRCLQSA-N -1 0 393.321 5.308 1 0 GKAFRM O=C([O-])C1=Cc2cc(Cl)cc(-c3ccc(Cl)cc3)c2O[C@H]1C(F)(F)F ZINC000066103677 222137441 /nfs/dbraw/zinc/13/74/41/222137441.db2.gz NENVFGXZTXDKIF-OAHLLOKOSA-N -1 0 389.156 5.452 1 0 GKAFRM CC(C)(C(=O)[O-])[C@@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 ZINC000072118373 222207233 /nfs/dbraw/zinc/20/72/33/222207233.db2.gz RTYXQMMUWJBPMQ-JOCHJYFZSA-N -1 0 385.467 5.480 1 0 GKAFRM O=C([O-])c1sc2c(cccc2Cl)c1CCCOc1cccc2ccccc21 ZINC000095598304 222357965 /nfs/dbraw/zinc/35/79/65/222357965.db2.gz GFMJEGDNVUKJGC-UHFFFAOYSA-N -1 0 396.895 6.418 1 0 GKAFRM Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2Sc1cc(Cl)c(Cl)cc1Cl ZINC000095608628 222359785 /nfs/dbraw/zinc/35/97/85/222359785.db2.gz XXCASCVAMIEIHF-UHFFFAOYSA-N -1 0 386.687 6.286 1 0 GKAFRM CC1(C)CC=C(c2ccccc2)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC000001542874 560181974 /nfs/dbraw/zinc/18/19/74/560181974.db2.gz AZQWAFBHDUNJHM-UHFFFAOYSA-N -1 0 397.474 5.750 1 0 in-vitro GKAFRM CCCC[C@]1(C2CCCC2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000002539819 560187623 /nfs/dbraw/zinc/18/76/23/560187623.db2.gz YAWWQIFONIPBKT-HXUWFJFHSA-N -1 0 399.314 5.562 1 0 in-vitro GKAFRM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000261498329 571863157 /nfs/dbraw/zinc/86/31/57/571863157.db2.gz SMEROWZSTRWXGI-BEZDZGQISA-N -1 0 376.581 5.507 1 0 endogenous,in-man GKAFRM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261498331 571863161 /nfs/dbraw/zinc/86/31/61/571863161.db2.gz SMEROWZSTRWXGI-JUOJXMMUSA-N -1 0 376.581 5.507 1 0 endogenous,in-man GKAFRM Cc1c(C)c(CO)c(C)c([C@@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1O ZINC000013456380 581093075 /nfs/dbraw/zinc/09/30/75/581093075.db2.gz SYSUILGXAHBIFN-IBGZPJMESA-N -1 0 388.479 5.116 1 0 GKAFRM Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Sc1ccc(O)c(C2CCCCC2)c1 ZINC000029400104 581093129 /nfs/dbraw/zinc/09/31/29/581093129.db2.gz UGZKFEBPTOLBSR-UHFFFAOYSA-N -1 0 399.512 5.231 1 0 GKAFRM CCCCN(C/C=C/C(C)=C/C(=O)[O-])c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000053267949 581097126 /nfs/dbraw/zinc/09/71/26/581097126.db2.gz KQRUCMPFAOHXEQ-WEGNKRRCSA-N -1 0 397.603 6.402 1 0 GKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(C4CCCC4)oc3C)ccc21 ZINC000028565209 581097488 /nfs/dbraw/zinc/09/74/88/581097488.db2.gz JUGJRTWWYZTNAY-CTNGQTDRSA-N -1 0 397.515 5.403 1 0 GKAFRM C/C(=C\C(=O)[O-])c1cc2c(o1)CCC[C@@H]2c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000013560363 581097560 /nfs/dbraw/zinc/09/75/60/581097560.db2.gz DOSXLPGCGUQSGK-IYICPGQYSA-N -1 0 392.539 6.585 1 0 GKAFRM CC[C@@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000012358317 581097564 /nfs/dbraw/zinc/09/75/64/581097564.db2.gz TYVNBJSZYWXLCK-KRWDZBQOSA-N -1 0 394.433 5.543 1 0 GKAFRM O=c1c2c(oc([O-])c1[C@H](c1ccccc1)C1CC1)[C@H](CC1CC1)CCCCC2 ZINC000100712790 581101497 /nfs/dbraw/zinc/10/14/97/581101497.db2.gz HZGWDBYGMJPEJV-PZJWPPBQSA-N -1 0 378.512 5.888 1 0 GKAFRM O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccoc4)cc3)ccc21 ZINC000014977078 581101650 /nfs/dbraw/zinc/10/16/50/581101650.db2.gz IAMMTNGYAQSZKR-IBGZPJMESA-N -1 0 392.451 5.299 1 0 GKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(C3CCCCC3)c2)c(Cl)c1 ZINC000014969278 210136068 /nfs/dbraw/zinc/13/60/68/210136068.db2.gz UTTJYFMWZBKOLA-UHFFFAOYSA-N -1 0 395.282 6.166 1 0 GKAFRM CCCc1cc2c(CC)noc2c(CCC)c1O[C@H](C(=O)[O-])c1ccccc1 ZINC000013539297 210066050 /nfs/dbraw/zinc/06/60/50/210066050.db2.gz ZNFQACQKTCDXGN-NRFANRHFSA-N -1 0 381.472 5.500 1 0 GKAFRM COc1c(CC=C(C)C)c([O-])c(C(=O)c2ccccc2)c(OC)c1CC=C(C)C ZINC000014780695 291149396 /nfs/dbraw/zinc/14/93/96/291149396.db2.gz QJYBJPASHULXLL-UHFFFAOYSA-N -1 0 394.511 5.658 1 0 biogenic,in-vitro GKAFRM Cc1ccc(C)c([C@@H]2Nc3c(C(=O)[O-])cc(Cl)cc3[C@@H]3[C@H]2[C@@H]2CC[C@H]3C2)c1 ZINC000004722786 209516582 /nfs/dbraw/zinc/51/65/82/209516582.db2.gz HKGKAEGOUSTERL-GLQUZPCTSA-N -1 0 381.903 5.952 2 0 GKAFRM O=C([O-])c1cccc(-c2ccc(Cn3c4ccccc4nc3C(F)(F)F)cc2)c1 ZINC000013652600 204501656 /nfs/dbraw/zinc/50/16/56/204501656.db2.gz ROLOKMIPJJVXQM-UHFFFAOYSA-N -1 0 396.368 5.469 1 0 GKAFRM CC1(C)CCC(C)(C)c2nc(-c3ccc(-c4ccc(C(=O)[O-])cc4)o3)cnc21 ZINC000013804918 204515126 /nfs/dbraw/zinc/51/51/26/204515126.db2.gz SVBKIYBFKGTMJL-UHFFFAOYSA-N -1 0 376.456 5.451 1 0 GKAFRM Cn1c2ccc(OCC(=O)[O-])cc2c(CCc2ccccc2)c1-c1ccccc1 ZINC000027073829 204853371 /nfs/dbraw/zinc/85/33/71/204853371.db2.gz VTDXYMJBZWZUKX-UHFFFAOYSA-N -1 0 385.463 5.094 1 0 GKAFRM O=C([O-])c1cccc(NC(=O)c2ccc(Oc3ccc4ccccc4c3)cc2)c1 ZINC000027327280 204854603 /nfs/dbraw/zinc/85/46/03/204854603.db2.gz IEZNMUQOSWIBTK-UHFFFAOYSA-N -1 0 383.403 5.583 1 0 GKAFRM O=C([O-])c1ccccc1NC(=O)c1ccc(Cc2ccc3ccccc3c2)cc1 ZINC000027408364 204854811 /nfs/dbraw/zinc/85/48/11/204854811.db2.gz SSGSSCWHQBJLAY-UHFFFAOYSA-N -1 0 381.431 5.381 1 0 GKAFRM CC1(C)Cc2c(cc(-c3ccccc3)n2[C@H](Cc2ccccc2)C(=O)[O-])C(=O)C1 ZINC000028873246 204882947 /nfs/dbraw/zinc/88/29/47/204882947.db2.gz JAYWEXVIQLTSOZ-OAQYLSRUSA-N -1 0 387.479 5.179 1 0 GKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2SCC1 ZINC000036350472 205013080 /nfs/dbraw/zinc/01/30/80/205013080.db2.gz PEZZNCRAAZMOJE-UHFFFAOYSA-N -1 0 377.509 6.160 1 0 GKAFRM O=C([O-])c1ccccc1Nc1ccc(CCc2cc(Cl)cc(Cl)c2)cc1 ZINC000040412119 205065659 /nfs/dbraw/zinc/06/56/59/205065659.db2.gz HIBLJJWULOFRSO-UHFFFAOYSA-N -1 0 386.278 6.220 1 0 GKAFRM Cc1ccc(S(=O)(=O)[N-]c2sccc2-c2nc3ccccc3s2)cc1 ZINC000043066943 205081420 /nfs/dbraw/zinc/08/14/20/205081420.db2.gz PFMOIGMKWRNQLO-UHFFFAOYSA-N -1 0 386.523 5.134 1 0 GKAFRM O=C([O-])C[C@]1(C2CCCCC2)OCCc2c1[nH]c1c2c(Cl)ccc1Cl ZINC000049054543 205125605 /nfs/dbraw/zinc/12/56/05/205125605.db2.gz VFRYHZAOZJITJM-LJQANCHMSA-N -1 0 382.287 5.298 1 0 GKAFRM Cc1ccc(Cc2c[nH]c(CCc3ccc(-c4ccccc4C(=O)[O-])cc3)n2)cc1 ZINC000049111552 205126745 /nfs/dbraw/zinc/12/67/45/205126745.db2.gz VYBWLCTUXXZJTR-UHFFFAOYSA-N -1 0 396.490 5.459 1 0 GKAFRM O=C([O-])c1c(-c2ccccc2F)c2cc(Cl)ccc2n1Cc1ccccc1 ZINC000072183032 205317404 /nfs/dbraw/zinc/31/74/04/205317404.db2.gz IOOYKINARCKSEF-UHFFFAOYSA-N -1 0 379.818 5.847 1 0 in-vitro GKAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccc(-c2ccccc2)cc1 ZINC000072172348 205317827 /nfs/dbraw/zinc/31/78/27/205317827.db2.gz MUEKOHQHMLKHOG-HSZRJFAPSA-N -1 0 378.427 5.467 1 0 GKAFRM CC(C)CCC[C@@H](C)CCOc1ccc(CCc2cccc(O)c2C(=O)[O-])cc1 ZINC000082157991 205389166 /nfs/dbraw/zinc/38/91/66/205389166.db2.gz NJFNJBVPJBPZOE-LJQANCHMSA-N -1 0 398.543 6.107 1 0 GKAFRM CC(C)(Oc1ccc(COc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000095563454 205500304 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CC(C)(C)c1cc(=O)n2[n-]c(C(F)(F)F)c(-c3cccc4ccccc43)c2n1 ZINC000101404875 208392641 /nfs/dbraw/zinc/39/26/41/208392641.db2.gz RTVSGPRTYPQNPM-UHFFFAOYSA-N -1 0 385.389 5.159 1 0 GKAFRM O=C([O-])CCN1c2c(ssc2=S)Sc2ssc(=S)c21 ZINC000139364244 208482933 /nfs/dbraw/zinc/48/29/33/208482933.db2.gz GATISVWBSUFAAA-UHFFFAOYSA-N -1 0 383.613 5.469 1 0 GKAFRM Cc1c2c(c([C@@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c(O)c1C)CCC2 ZINC000013456352 221269169 /nfs/dbraw/zinc/26/91/69/221269169.db2.gz SBWLSWHLJCBFIC-FQEVSTJZSA-N -1 0 384.491 5.804 1 0 GKAFRM Cc1noc([N-]S(=O)(=O)c2c(C)cccc2-c2ccc(CC(C)C)cc2)c1C ZINC000013782452 221289353 /nfs/dbraw/zinc/28/93/53/221289353.db2.gz YLQYGISCNNGCAI-UHFFFAOYSA-N -1 0 398.528 5.266 1 0 GKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(CC(C)(C)C)cc2)c1C ZINC000013782418 221289593 /nfs/dbraw/zinc/28/95/93/221289593.db2.gz KQHAPBNZGYGMEI-UHFFFAOYSA-N -1 0 398.528 5.348 1 0 GKAFRM CC(C)(C)c1cc(C2=Cc3ccc(C(=O)[O-])cc3OC2)cc(C(C)(C)C)c1O ZINC000013815519 221290390 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Cc1cc(C)c(-c2cc(-c3ccc4cc(C(=O)[O-])ccc4c3C)ccc2O)c(C)c1 ZINC000040863176 205074404 /nfs/dbraw/zinc/07/44/04/205074404.db2.gz OYJSITYRXPKTPE-UHFFFAOYSA-N -1 0 396.486 6.811 1 0 GKAFRM CC1(C)CCC[C@@]2(C)C3=C(CC[C@H]12)C/C(=C\Cc1cc(C(=O)[O-])ccc1O)CC3 ZINC000040849009 205074520 /nfs/dbraw/zinc/07/45/20/205074520.db2.gz DJADSIGWJIXULZ-IJOJHBLOSA-N -1 0 394.555 6.666 1 0 in-vivo GKAFRM C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)c2c3ccc([O-])c(Br)c3oc21 ZINC000066258546 205241183 /nfs/dbraw/zinc/24/11/83/205241183.db2.gz QQBHOLDWCSMYKY-RKFVTTHHSA-N -1 0 391.349 6.882 1 0 GKAFRM CCCC(=O)N(CCCC/C=C\CCCCCCCCCC(=O)[O-])C(C)C ZINC000072110979 205305649 /nfs/dbraw/zinc/30/56/49/205305649.db2.gz DQHYWJWZMBQIEX-LUAWRHEFSA-N -1 0 381.601 6.346 1 0 GKAFRM COc1ccc(-c2oc3ccc(OCc4ccc(F)cc4)cc3c2C(=O)[O-])cc1 ZINC000084668390 205398057 /nfs/dbraw/zinc/39/80/57/205398057.db2.gz LGBPPUMAFZMTKV-UHFFFAOYSA-N -1 0 392.382 5.525 1 0 GKAFRM CCCCNC(=O)CCCCCCCCCCOc1ccc(C(=O)[O-])cc1 ZINC000169344836 211638296 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1 0 GKAFRM Cc1cc(C)c2c(C(=O)[O-])cn(-c3ccc(C(C)C)cc3Br)c2n1 ZINC000013794690 221289143 /nfs/dbraw/zinc/28/91/43/221289143.db2.gz XMTQGGDMLQSVQZ-UHFFFAOYSA-N -1 0 387.277 5.226 1 0 GKAFRM CC1(C)Cc2c(-c3ccccc3)c(-c3cccc(Cl)c3)c(CC(=O)[O-])n2C1 ZINC000013737359 221287357 /nfs/dbraw/zinc/28/73/57/221287357.db2.gz SCAZIULVPRWXGG-UHFFFAOYSA-N -1 0 379.887 5.685 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc([S@](=O)/C=C/c3ccc(C(=O)[O-])cc3)ccc21 ZINC000026726186 221646236 /nfs/dbraw/zinc/64/62/36/221646236.db2.gz FHCYCTLLRUZQBT-SHEYNDHISA-N -1 0 382.525 5.512 1 0 GKAFRM Cc1ccc(C)c2oc(-c3ccc(-c4ccc5cc(C(=O)[O-])ccc5c4)[nH]3)cc21 ZINC000029469393 221694372 /nfs/dbraw/zinc/69/43/72/221694372.db2.gz VQFYGAXCXHKFGW-UHFFFAOYSA-N -1 0 381.431 6.563 1 0 GKAFRM Cc1cc(CC(=O)[O-])ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 ZINC000038157814 221878528 /nfs/dbraw/zinc/87/85/28/221878528.db2.gz ZGERSFAPNYTHQM-UHFFFAOYSA-N -1 0 376.456 5.387 1 0 GKAFRM CC(C)(C)c1ccc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000039194413 221887759 /nfs/dbraw/zinc/88/77/59/221887759.db2.gz OAXVEUMFMPHEDK-UHFFFAOYSA-N -1 0 385.463 5.999 1 0 GKAFRM CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)[S-] ZINC000040420858 221923204 /nfs/dbraw/zinc/92/32/04/221923204.db2.gz YSFHYIZOIAIHBL-INIZCTEOSA-N -1 0 385.476 5.362 1 0 GKAFRM C/C(=C\CC[C@@]1(C)C=Cc2c(O)c(C(=O)[O-])c(C)cc2O1)CC(=O)CC(C)C ZINC000053312898 222009620 /nfs/dbraw/zinc/00/96/20/222009620.db2.gz JWCJVZVWTGSSPQ-KETROQBRSA-N -1 0 386.488 5.295 1 0 GKAFRM C[C@@H](Cc1ccccc1)c1nc2c(cccc2C(F)(F)F)c(C(=O)[O-])c1O ZINC000058569360 222054204 /nfs/dbraw/zinc/05/42/04/222054204.db2.gz XMBMVBQURZBLNA-NSHDSACASA-N -1 0 375.346 5.004 1 0 GKAFRM CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c4oc(CCC(=O)[O-])nc4c(C)c1c32 ZINC000072124930 222208811 /nfs/dbraw/zinc/20/88/11/222208811.db2.gz XUVXGKQNQBLGRU-XJNFMUPTSA-N -1 0 381.516 6.224 1 0 GKAFRM CC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)[O-])c[nH]c43)no2)cc1Cl ZINC000084616790 222318335 /nfs/dbraw/zinc/31/83/35/222318335.db2.gz BYDUWXXJGIMVFS-UHFFFAOYSA-N -1 0 397.818 5.024 1 0 GKAFRM CC(C)(C(=O)[O-])C1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21 ZINC000084710012 222321378 /nfs/dbraw/zinc/32/13/78/222321378.db2.gz CMPXUWQHNHIDPN-XSFVSMFZSA-N -1 0 384.450 6.541 1 0 GKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(C(=O)c3ccc(F)cc3)c2c1 ZINC000095553414 222355551 /nfs/dbraw/zinc/35/55/51/222355551.db2.gz ZLXLPVZTULGGGH-LBPRGKRZSA-N -1 0 395.817 5.464 1 0 GKAFRM CC(C)=CCc1c([O-])c2c(-c3ccccc3)cc(=O)oc2c(C(=O)C(C)C)c1O ZINC000014586014 560222543 /nfs/dbraw/zinc/22/25/43/560222543.db2.gz HFESPLMGUIFVMR-UHFFFAOYSA-N -1 0 392.451 5.219 1 0 biogenic,in-vitro GKAFRM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000001636288 574411341 /nfs/dbraw/zinc/41/13/41/574411341.db2.gz SMEROWZSTRWXGI-MSWBXGLYSA-N -1 0 376.581 5.507 1 0 endogenous,in-man GKAFRM Cc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-] ZINC000026845581 581093035 /nfs/dbraw/zinc/09/30/35/581093035.db2.gz KOQAEUOKFPJDND-UHFFFAOYSA-N -1 0 383.422 5.813 1 0 GKAFRM Cc1c2c(c(C)c([C@@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c1O)CCC2 ZINC000011686253 581093658 /nfs/dbraw/zinc/09/36/58/581093658.db2.gz PNEYQGZHXLSODE-NRFANRHFSA-N -1 0 384.491 5.804 1 0 GKAFRM Cc1c(-n2ccc3c2cccc3-c2ccccc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029465541 581093724 /nfs/dbraw/zinc/09/37/24/581093724.db2.gz GUPPWWRLDRYLHQ-UHFFFAOYSA-N -1 0 396.421 5.991 1 0 GKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccco4)oc3C)ccc21 ZINC000028565317 581097514 /nfs/dbraw/zinc/09/75/14/581097514.db2.gz TYIJPJRVSMIEIT-IEBWSBKVSA-N -1 0 395.455 5.005 1 0 GKAFRM CC[C@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000012358318 581097516 /nfs/dbraw/zinc/09/75/16/581097516.db2.gz TYVNBJSZYWXLCK-QGZVFWFLSA-N -1 0 394.433 5.543 1 0 GKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccco4)oc3C)ccc21 ZINC000028565315 581097554 /nfs/dbraw/zinc/09/75/54/581097554.db2.gz TYIJPJRVSMIEIT-PKOBYXMFSA-N -1 0 395.455 5.005 1 0 GKAFRM O=c1c2c(oc([O-])c1[C@@H](c1ccccc1)C1CC1)[C@@H](CC1CC1)CCCCC2 ZINC000100712796 581101616 /nfs/dbraw/zinc/10/16/16/581101616.db2.gz HZGWDBYGMJPEJV-CTNGQTDRSA-N -1 0 378.512 5.888 1 0 GKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2C)c1C ZINC000013782448 210089418 /nfs/dbraw/zinc/08/94/18/210089418.db2.gz ZBRNVMMDLYLTBS-UHFFFAOYSA-N -1 0 398.528 5.266 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCCO3)ccc21 ZINC000013743081 210087392 /nfs/dbraw/zinc/08/73/92/210087392.db2.gz HHKUEURFZCEKHR-UHFFFAOYSA-N -1 0 394.511 5.372 1 0 GKAFRM C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1CCC)C(C)(C)CCC2(C)C ZINC000013738452 210086753 /nfs/dbraw/zinc/08/67/53/210086753.db2.gz LUWIOOCFGZAPTC-UHFFFAOYSA-N -1 0 376.540 6.748 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4sc(CCC(=O)[O-])cc43)ccc21 ZINC000013560361 210069609 /nfs/dbraw/zinc/06/96/09/210069609.db2.gz DZGIOQCOHRMFAU-SFHVURJKSA-N -1 0 396.596 6.583 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc([C@H]3CC(c4ccc(C(=O)[O-])cc4)=NO3)ccc21 ZINC000013558481 210066512 /nfs/dbraw/zinc/06/65/12/210066512.db2.gz JISHTHOULBYKQA-OAQYLSRUSA-N -1 0 377.484 5.600 1 0 GKAFRM CC1(C)CCC(C)(C)c2nc(-c3cc(-c4ccc(C(=O)[O-])cc4)co3)cnc21 ZINC000000840991 212188337 /nfs/dbraw/zinc/18/83/37/212188337.db2.gz QSMDIKOFXUXFOR-UHFFFAOYSA-N -1 0 376.456 5.451 1 0 GKAFRM C/C(=C\CCc1ccoc1)CC/C=C(\C)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000017044469 203794548 /nfs/dbraw/zinc/79/45/48/203794548.db2.gz HPVSJNGZYYDDMU-CHVWLSOJSA-N -1 0 398.543 6.964 1 0 GKAFRM [O-]c1c(Cl)c(Cl)c(O)c(CCNc2ccc3ncccc3c2)c1Cl ZINC000005933818 204156864 /nfs/dbraw/zinc/15/68/64/204156864.db2.gz OZTKLPASWCWPSH-UHFFFAOYSA-N -1 0 383.662 5.261 1 0 GKAFRM O=C([O-])[C@@H]1C[C@H]1c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000028462220 204873579 /nfs/dbraw/zinc/87/35/79/204873579.db2.gz FQGRVYDSPVYIBO-MVGZLHTPSA-N -1 0 388.507 5.715 1 0 GKAFRM O=C([O-])c1ccc2c(c1)nc(-c1c[nH]nc1-c1ccccc1)n2C1CCCCC1 ZINC000028107629 204866490 /nfs/dbraw/zinc/86/64/90/204866490.db2.gz MAUOXLCJBICTAM-UHFFFAOYSA-N -1 0 386.455 5.297 1 0 GKAFRM C/C(=C\c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1)C(=O)[O-] ZINC000028462427 204874295 /nfs/dbraw/zinc/87/42/95/204874295.db2.gz DEGMKVCJFDPLOO-LZYBPNLTSA-N -1 0 388.507 6.015 1 0 GKAFRM O=C([O-])CC1=C/C(=C\c2ccc(-c3ccc(F)cc3F)cc2)c2ccc(F)cc21 ZINC000040847140 205072402 /nfs/dbraw/zinc/07/24/02/205072402.db2.gz FTYDPNONWIJALM-CXUHLZMHSA-N -1 0 392.376 6.183 1 0 GKAFRM CC1(C)CCC(C)(C)c2cc(-c3ccc4cc(C(=O)[O-])ccc4c3)c(CO)cc21 ZINC000040953538 205075355 /nfs/dbraw/zinc/07/53/55/205075355.db2.gz WLHPYBNBYORBNM-UHFFFAOYSA-N -1 0 388.507 6.046 1 0 GKAFRM COc1ccc(CCCc2ccc(Nc3ccc(F)cc3C(=O)[O-])cc2)cc1 ZINC000040935264 205075408 /nfs/dbraw/zinc/07/54/08/205075408.db2.gz YGGUSGWSCDHZED-UHFFFAOYSA-N -1 0 379.431 5.451 1 0 GKAFRM O=C([O-])c1ccccc1-c1ccc(CCc2nc(CCc3ccccc3)c[nH]2)cc1 ZINC000049054313 205125375 /nfs/dbraw/zinc/12/53/75/205125375.db2.gz MJMKUTBRKAYLMA-UHFFFAOYSA-N -1 0 396.490 5.345 1 0 GKAFRM COc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1C ZINC000066074066 205240187 /nfs/dbraw/zinc/24/01/87/205240187.db2.gz DJARNOZMDSUMPO-KRWDZBQOSA-N -1 0 398.764 5.115 1 0 GKAFRM COCC[C@@H]1CCCCCc2c(=O)c([C@H](c3ccccc3)C3CC3)c([O-])oc21 ZINC000100712904 211390872 /nfs/dbraw/zinc/39/08/72/211390872.db2.gz PWRKJCNAIMTCSX-AZUAARDMSA-N -1 0 382.500 5.124 1 0 GKAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000006491648 206653332 /nfs/dbraw/zinc/65/33/32/206653332.db2.gz JVMCMMXFADJQKU-MMSVWBHPSA-N -1 0 376.581 5.507 1 0 endogenous,in-man GKAFRM CN(Cc1nc(-c2ccccc2)c(-c2ccccc2)n1C)c1ccccc1C(=O)[O-] ZINC000096914901 211351089 /nfs/dbraw/zinc/35/10/89/211351089.db2.gz WPHAFRYCCXYJBX-UHFFFAOYSA-N -1 0 397.478 5.089 1 0 GKAFRM O=C(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000095596241 211281153 /nfs/dbraw/zinc/28/11/53/211281153.db2.gz OAPJNIWWXJDUAC-UHFFFAOYSA-N -1 0 383.675 5.336 1 0 GKAFRM O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000095595750 211280561 /nfs/dbraw/zinc/28/05/61/211280561.db2.gz PPJCTPWXZVMOIC-UHFFFAOYSA-N -1 0 383.675 5.336 1 0 GKAFRM O=C1Oc2ccc3ccccc3c2CC1=C([O-])c1ccc(-c2ccccc2)cc1 ZINC000072172347 211081749 /nfs/dbraw/zinc/08/17/49/211081749.db2.gz MUEKOHQHMLKHOG-QHCPKHFHSA-N -1 0 378.427 5.467 1 0 GKAFRM O=C([O-])CSc1ncnc2cc(-c3ccc(-c4ccccc4)cc3)sc21 ZINC000072123073 211070873 /nfs/dbraw/zinc/07/08/73/211070873.db2.gz NWVWKIXOJZPPMR-UHFFFAOYSA-N -1 0 378.478 5.202 1 0 GKAFRM CC(/C=C/c1ccccc1)=C\[C@@]1(C)C=C(C)[C@@H]2[C@H](C(C)=C[C@H]2C)[C@@]1(C)C(=O)[O-] ZINC000058576279 210921973 /nfs/dbraw/zinc/92/19/73/210921973.db2.gz USZQRGFOPCNWMR-UQCZAKNZSA-N -1 0 376.540 6.532 1 0 GKAFRM CCCCC1([C@@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCCCC(=O)[O-])CCC1 ZINC000060300505 210927006 /nfs/dbraw/zinc/92/70/06/210927006.db2.gz HIZKSBVCUYYKMS-LNYVVFMMSA-N -1 0 378.553 5.285 1 0 GKAFRM CC(C)(CCC(=O)[O-])Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 ZINC000013826765 207001343 /nfs/dbraw/zinc/00/13/43/207001343.db2.gz JPRTVHFLAMHWIX-UHFFFAOYSA-N -1 0 388.870 5.311 1 0 GKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(O)c(C34C[C@H]5CC3C[C@@H](C4)C5)c2)c(Cl)c1 ZINC000040862714 210797208 /nfs/dbraw/zinc/79/72/08/210797208.db2.gz VJTNQFZAJSEDRX-VTUCZJPCSA-N -1 0 394.898 5.888 1 0 GKAFRM C/C(=C\C=C\[C@]1(C)CCCc2ccoc21)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000014439601 207021772 /nfs/dbraw/zinc/02/17/72/207021772.db2.gz PRWPWIZPRXATNU-NYXRGYENSA-N -1 0 396.527 6.455 1 0 GKAFRM CCCCCC(=O)c1ccc([O-])c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1 ZINC000026185118 207309773 /nfs/dbraw/zinc/30/97/73/207309773.db2.gz SODRAVKSCAEVNV-UHFFFAOYSA-N -1 0 376.378 5.717 1 0 GKAFRM CCc1cccc2c1[nH]c1c2[C@H](Cc2ccccc2)CC[C@]1(CC)CC(=O)[O-] ZINC000026291037 207312004 /nfs/dbraw/zinc/31/20/04/207312004.db2.gz USXNLUOJLZLFRF-UQBPGWFLSA-N -1 0 375.512 5.973 1 0 GKAFRM CCOc1ccc(-c2nc(-c3ccc(C(=O)[O-])s3)cs2)cc1OCC ZINC000027181574 207324279 /nfs/dbraw/zinc/32/42/79/207324279.db2.gz MFBIKHCTXOOXBF-UHFFFAOYSA-N -1 0 375.471 5.034 1 0 GKAFRM CN1c2ccc(C(C)(C)C)cc2N=C(c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000027419393 207325576 /nfs/dbraw/zinc/32/55/76/207325576.db2.gz UQOLRYVBLVAUHZ-UHFFFAOYSA-N -1 0 384.479 5.933 1 0 GKAFRM CC(C)(Oc1cc2c(c(Cl)c1Cl)C(=O)[C@](C)(C1CCCC1)C2)C(=O)[O-] ZINC000027647919 207328835 /nfs/dbraw/zinc/32/88/35/207328835.db2.gz RWMICFMYOFMCFY-IBGZPJMESA-N -1 0 385.287 5.171 1 0 GKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(C(=O)[O-])cc1 ZINC000028571924 207344658 /nfs/dbraw/zinc/34/46/58/207344658.db2.gz HVGNUABZBVEKLN-UHFFFAOYSA-N -1 0 392.402 5.448 1 0 GKAFRM C[C@H](C(=O)[O-])c1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1 ZINC000043024209 207627932 /nfs/dbraw/zinc/62/79/32/207627932.db2.gz UQHCOQGKZXZCFP-INIZCTEOSA-N -1 0 392.458 6.238 1 0 GKAFRM O=C([O-])c1cccc2c3c(n(Cc4cccc(C(F)(F)F)c4)c21)CCCCC3 ZINC000040898197 207613665 /nfs/dbraw/zinc/61/36/65/207613665.db2.gz KIKAXLNNCWQARX-UHFFFAOYSA-N -1 0 387.401 5.676 1 0 GKAFRM CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(COC(=O)CCC(=O)[O-])CCC[C@]21C ZINC000045374199 207656202 /nfs/dbraw/zinc/65/62/02/207656202.db2.gz FEUZNFQHDSTKOI-NKKJXINNSA-N -1 0 386.532 5.228 1 0 GKAFRM O=C([O-])c1cc2ccc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)cc2[nH]1 ZINC000072113826 207971973 /nfs/dbraw/zinc/97/19/73/207971973.db2.gz JCSZEOARIKIUAS-UHFFFAOYSA-N -1 0 387.479 5.707 1 0 GKAFRM CC(C)/C=C(/c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000028757715 210532960 /nfs/dbraw/zinc/53/29/60/210532960.db2.gz RHPPBDAFUHKZQF-QNGOZBTKSA-N -1 0 376.540 6.822 1 0 GKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(Br)o1)n2C1CCCCC1 ZINC000028108690 210520219 /nfs/dbraw/zinc/52/02/19/210520219.db2.gz XXTJWYQPSKXGGB-UHFFFAOYSA-N -1 0 389.249 5.262 1 0 GKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[O-])cc(C)c1Cl ZINC000095596013 208237243 /nfs/dbraw/zinc/23/72/43/208237243.db2.gz MCMWRWKXPXXZAS-UHFFFAOYSA-N -1 0 392.282 5.801 1 0 in-vitro GKAFRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000026721636 210504034 /nfs/dbraw/zinc/50/40/34/210504034.db2.gz QHMOPZIZOBBDJY-OAHLLOKOSA-N -1 0 380.484 5.652 1 0 GKAFRM COc1ccc(/C(=C\c2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)[O-])cc1 ZINC000096921482 208327295 /nfs/dbraw/zinc/32/72/95/208327295.db2.gz XJTZGEZCHJJIAQ-YDZHTSKRSA-N -1 0 399.446 5.381 1 0 GKAFRM CC1(C)CCC(C)(C)c2nc(-c3ccc(-c4ccc(C(=O)[O-])cc4)[nH]3)cnc21 ZINC000003951146 220668220 /nfs/dbraw/zinc/66/82/20/220668220.db2.gz RREMNJZTZUKGKQ-UHFFFAOYSA-N -1 0 375.472 5.186 1 0 GKAFRM CCCc1cc(C(=O)CC)c(O)c(CCC)c1O[C@H](C(=O)[O-])c1ccccc1 ZINC000013539281 221271529 /nfs/dbraw/zinc/27/15/29/221271529.db2.gz DSKNQEPRHSNXMS-QFIPXVFZSA-N -1 0 384.472 5.095 1 0 GKAFRM O=C([O-])CCCCCCCCn1ccc(C(c2ccccc2)c2ccccc2)n1 ZINC000013727578 221286054 /nfs/dbraw/zinc/28/60/54/221286054.db2.gz LQQJJDQDMYPPEA-UHFFFAOYSA-N -1 0 390.527 5.879 1 0 GKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(-c3ccccn3)c2)c(Cl)c1 ZINC000014969261 221321333 /nfs/dbraw/zinc/32/13/33/221321333.db2.gz LZXPUGQXWRWMGH-UHFFFAOYSA-N -1 0 390.222 5.180 1 0 GKAFRM C/C(=C\CCc1ccoc1)CC/C=C(/C)CCC[C@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000014827524 221317591 /nfs/dbraw/zinc/31/75/91/221317591.db2.gz HPVSJNGZYYDDMU-WKJFFDJSSA-N -1 0 398.543 6.964 1 0 GKAFRM O=C([O-])Cc1sc(-c2nsc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000026491123 221642179 /nfs/dbraw/zinc/64/21/79/221642179.db2.gz POHAIAKNCSEGRM-UHFFFAOYSA-N -1 0 386.885 5.367 1 0 GKAFRM CCCCCc1c(CO)c2cc(C)c(C(=O)[O-])cc2n1CCc1ccccc1 ZINC000028949325 221686766 /nfs/dbraw/zinc/68/67/66/221686766.db2.gz CCLIAIJADYWFFL-UHFFFAOYSA-N -1 0 379.500 5.116 1 0 GKAFRM CC[C@@]1(/C=C/c2ccccc2)C=C(C)[C@@H]2[C@@H](C)C(=O)[C@H](C)[C@H]2[C@]1(CC)C(=O)[O-] ZINC000040420807 221923634 /nfs/dbraw/zinc/92/36/34/221923634.db2.gz IUHRGTBLTYEFAP-NVXQNEKZSA-N -1 0 380.528 5.624 1 0 GKAFRM CC(C)(CC(=O)[O-])Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1F ZINC000040639734 221926631 /nfs/dbraw/zinc/92/66/31/221926631.db2.gz DBZKXJGSLLFQJM-UHFFFAOYSA-N -1 0 392.833 5.060 1 0 GKAFRM O=C([O-])c1cccc(-c2ccccc2-c2ccccc2OCc2ccccc2)c1 ZINC000038623924 221882275 /nfs/dbraw/zinc/88/22/75/221882275.db2.gz BXDVWILQWDRRAU-UHFFFAOYSA-N -1 0 380.443 6.298 1 0 GKAFRM O=C([O-])Cc1sc(Cc2ccc3ccccc3c2)nc1-c1ccc(Cl)cc1 ZINC000045335934 221961355 /nfs/dbraw/zinc/96/13/55/221961355.db2.gz AOTUDKKSXQEOBL-UHFFFAOYSA-N -1 0 393.895 5.835 1 0 GKAFRM Cc1cccc(C)c1-c1cccc(COc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000059570228 222057452 /nfs/dbraw/zinc/05/74/52/222057452.db2.gz OYBMHHFUOSHEIX-UHFFFAOYSA-N -1 0 385.463 5.589 1 0 GKAFRM Cc1ccc(-c2nc(-c3ccc4oc5c(cccc5C(=O)[O-])c4c3)cs2)cc1 ZINC000064532043 222072882 /nfs/dbraw/zinc/07/28/82/222072882.db2.gz SJDIGYUJVHXLGI-UHFFFAOYSA-N -1 0 385.444 6.383 1 0 GKAFRM O=C([O-])C[C@H](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc(Cl)cc1 ZINC000072118572 222207083 /nfs/dbraw/zinc/20/70/83/222207083.db2.gz QKUWNSYQRZWBGF-NSHDSACASA-N -1 0 382.769 5.036 1 0 GKAFRM Cc1cc2c(cc1-n1c3ccc(C(=O)[O-])cc3[nH]c1=S)C(C)(C)CCC2(C)C ZINC000095589275 222357648 /nfs/dbraw/zinc/35/76/48/222357648.db2.gz XWAGGSXHMDIJBG-UHFFFAOYSA-N -1 0 394.540 6.044 1 0 GKAFRM CC(C)[C@H]1C(=O)c2c(cc(OCC(=O)[O-])c(Cl)c2Cl)[C@@H]1c1ccccc1 ZINC000169343397 222536102 /nfs/dbraw/zinc/53/61/02/222536102.db2.gz ZZKRHXWBUHFXIX-CVEARBPZSA-N -1 0 393.266 5.057 1 0 GKAFRM Cc1c(C)c(CO)c(C)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1O ZINC000001551130 581093085 /nfs/dbraw/zinc/09/30/85/581093085.db2.gz SYSUILGXAHBIFN-LJQANCHMSA-N -1 0 388.479 5.116 1 0 GKAFRM Cc1coc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])ccc12 ZINC000014977247 581093649 /nfs/dbraw/zinc/09/36/49/581093649.db2.gz MFKRZXFZDLXBHI-KRWDZBQOSA-N -1 0 380.440 5.094 1 0 GKAFRM CC(/C=C/[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000026466377 581095010 /nfs/dbraw/zinc/09/50/10/581095010.db2.gz FJIBZFRLRGXSSC-HOBAOKGYSA-N -1 0 380.572 6.897 1 0 GKAFRM O=c1c2c(oc([O-])c1[C@H](c1ccccc1)C1CC1)[C@@H](CC1CC1)CCCCCC2 ZINC000100712920 581101445 /nfs/dbraw/zinc/10/14/45/581101445.db2.gz URMURVHVCIHPEL-IFMALSPDSA-N -1 0 392.539 6.278 1 0 GKAFRM O=c1c2c(oc([O-])c1[C@@H](c1ccccc1)C1CC1)[C@@H](CC1CC1)CCCCCC2 ZINC000100712924 581101483 /nfs/dbraw/zinc/10/14/83/581101483.db2.gz URMURVHVCIHPEL-IRLDBZIGSA-N -1 0 392.539 6.278 1 0 GKAFRM O=c1c2c(oc([O-])c1[C@H](c1ccccc1)C1CC1)[C@@H](CC1CC1)CCCCC2 ZINC000100712794 581101590 /nfs/dbraw/zinc/10/15/90/581101590.db2.gz HZGWDBYGMJPEJV-TZIWHRDSSA-N -1 0 378.512 5.888 1 0 GKAFRM Cc1ccccc1[C@H](CCC(=O)[O-])Oc1cccc(OCc2ccsc2)c1 ZINC000013780326 210089834 /nfs/dbraw/zinc/08/98/34/210089834.db2.gz KZBXOROUKAHGMY-NRFANRHFSA-N -1 0 382.481 5.620 1 0 GKAFRM COc1ccccc1Cc1cccc(-c2c([O-])c3ccc(Cl)cc3[nH]c2=O)c1 ZINC000013775723 210089498 /nfs/dbraw/zinc/08/94/98/210089498.db2.gz MEUNPYGXVYXLJB-UHFFFAOYSA-N -1 0 391.854 5.154 1 0 GKAFRM COc1c(C)c(C)c(Br)c(Cl)c1C/C=C(\C)CCC(=O)[O-] ZINC000013759768 210088668 /nfs/dbraw/zinc/08/86/68/210088668.db2.gz NNXMRBLCYGPCSC-WEVVVXLNSA-N -1 0 375.690 5.082 1 0 GKAFRM Cc1c2c(c([C@@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c(O)c1C)CCC2=O ZINC000013456430 210061225 /nfs/dbraw/zinc/06/12/25/210061225.db2.gz MIMHBCCQTTWMBE-SFHVURJKSA-N -1 0 398.474 5.444 1 0 GKAFRM C/C(=C\CC[C@@]1(C)Oc2oc3cc([O-])ccc3c(=O)c2[C@H]1C)Cc1cc(C)co1 ZINC000095910557 291142495 /nfs/dbraw/zinc/14/24/95/291142495.db2.gz CNAKVNYQFGVXPI-ZIORBPPUSA-N -1 0 394.467 5.624 1 0 biogenic,in-vitro GKAFRM CC1(C)OC[C@]2(C[C@]34C[C@H]2CC[C@@H]3[C@]2(C)CCC[C@@](C)(C(=O)[O-])[C@H]2CC4)O1 ZINC000070455270 291145681 /nfs/dbraw/zinc/14/56/81/291145681.db2.gz KSBWYVWJKJFHHV-ZFHGALEISA-N -1 0 376.537 5.006 1 0 biogenic,in-vitro GKAFRM CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)Cc1cc(C)cc(O)c1C2=O ZINC000014760755 291144489 /nfs/dbraw/zinc/14/44/89/291144489.db2.gz ZAHZJSNPMSTJBM-LZYBPNLTSA-N -1 0 392.495 5.613 1 0 biogenic,in-vitro GKAFRM O=C([O-])C[C@H](CCCCC/C=C\CCC1CCCCC1)CCc1ccccc1 ZINC000085505938 291150460 /nfs/dbraw/zinc/15/04/60/291150460.db2.gz CAMBLKWSVRQBMS-AFNUAEIFSA-N -1 0 384.604 7.577 1 0 biogenic,in-vitro GKAFRM CCCCC[C@H](O)/C=C/C=C/CCCC[C@@H]1C[C@H](C(C)C)CC[C@H]1CC(=O)[O-] ZINC000085490995 291149083 /nfs/dbraw/zinc/14/90/83/291149083.db2.gz JROGKFQGORWLPH-WKZXNOCCSA-N -1 0 392.624 6.764 1 0 biogenic,in-vitro GKAFRM CCCc1nc2c(nccc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000000586413 209249774 /nfs/dbraw/zinc/24/97/74/209249774.db2.gz KZNHQXXPROIGDV-UHFFFAOYSA-N -1 0 385.467 5.106 1 0 GKAFRM CC(C)C1=C(Cc2ccccc2)C(=O)O/C1=C\c1cc(Cl)c([O-])c(Cl)c1 ZINC000005732389 209231848 /nfs/dbraw/zinc/23/18/48/209231848.db2.gz OLAZDNWZIHSQMW-WQRHYEAKSA-N -1 0 389.278 5.792 1 0 GKAFRM O=C([O-])Cc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1 ZINC000001914682 203922404 /nfs/dbraw/zinc/92/24/04/203922404.db2.gz FVEFYWHPTNKUOD-UHFFFAOYSA-N -1 0 387.410 5.247 1 0 GKAFRM CC(C)N(C(=O)C1CCC(C)CC1)c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000003648490 204016630 /nfs/dbraw/zinc/01/66/30/204016630.db2.gz RZXQBIKGWSLVEK-UHFFFAOYSA-N -1 0 385.529 5.681 1 0 in-vitro GKAFRM Cc1ccc(C)c([C@@H]2Nc3c(C(=O)[O-])cc(Cl)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1 ZINC000004722790 204067847 /nfs/dbraw/zinc/06/78/47/204067847.db2.gz HKGKAEGOUSTERL-GOUSWXPMSA-N -1 0 381.903 5.952 2 0 GKAFRM CC(C)=C1CC[C@@H](C)[C@](C)(COc2ccc3ccc(=O)oc3c2)[C@@H]1CCC(=O)[O-] ZINC000005515786 204137124 /nfs/dbraw/zinc/13/71/24/204137124.db2.gz CVWWNYPTZYQCSE-MYRUOYEDSA-N -1 0 398.499 5.425 1 0 endogenous,in-man GKAFRM COc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccccc2C)cc1 ZINC000028088371 204865830 /nfs/dbraw/zinc/86/58/30/204865830.db2.gz SSNBGTCLBPVUQV-NTEUORMPSA-N -1 0 387.435 5.021 1 0 GKAFRM O=C([O-])c1cccc2c3c(n(Cc4c(F)cccc4C(F)(F)F)c21)CCCC3 ZINC000040848227 205072895 /nfs/dbraw/zinc/07/28/95/205072895.db2.gz JRFYEKCSUQLAGS-UHFFFAOYSA-N -1 0 391.364 5.425 1 0 GKAFRM COc1ccc(CCCc2ccc(Nc3cc(F)ccc3C(=O)[O-])cc2)cc1 ZINC000040935262 205075910 /nfs/dbraw/zinc/07/59/10/205075910.db2.gz LWPBBSHGYJJTOY-UHFFFAOYSA-N -1 0 379.431 5.451 1 0 GKAFRM S=C1N=NC([N-]c2nc(-c3ccc(Cl)cc3)cs2)N1c1ccccc1 ZINC000049088877 205125355 /nfs/dbraw/zinc/12/53/55/205125355.db2.gz VTYSVYDXGICGOK-UHFFFAOYSA-N -1 0 385.905 5.077 1 0 GKAFRM O=C([O-])C[C@]1(CC2CCCC2)OCCc2c1[nH]c1c2c(Cl)ccc1Cl ZINC000049067643 205125850 /nfs/dbraw/zinc/12/58/50/205125850.db2.gz KGFIMCQGMYUKDE-IBGZPJMESA-N -1 0 382.287 5.298 1 0 GKAFRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cc(Cl)sc1Cl ZINC000053296391 205134890 /nfs/dbraw/zinc/13/48/90/205134890.db2.gz XTUFVGROZQDUAE-UHFFFAOYSA-N -1 0 377.101 5.163 1 0 GKAFRM CCCN(C/C=C/C(C)=C/C(=O)[O-])c1cc2c(cc1OC)C(C)(C)CCC2(C)C ZINC000053267943 205135200 /nfs/dbraw/zinc/13/52/00/205135200.db2.gz GAQGDWHISKJLGD-FMAJSODUSA-N -1 0 399.575 5.848 1 0 GKAFRM Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(=O)[O-])coc3c2)c1 ZINC000059570158 205177798 /nfs/dbraw/zinc/17/77/98/205177798.db2.gz QUFAFDAMIFFYLS-UHFFFAOYSA-N -1 0 386.447 5.923 1 0 GKAFRM O=C([O-])C[C@H](Cc1nc2c(cc(Cl)cc2Cl)[nH]1)c1ccc(Cl)cc1 ZINC000072116819 205305177 /nfs/dbraw/zinc/30/51/77/205305177.db2.gz WMLLAHSMFYNLLO-JTQLQIEISA-N -1 0 383.662 5.324 1 0 in-vitro GKAFRM O=C([O-])c1c(-c2ccccc2F)c2cc(Cl)ccc2n1Cc1ccncc1 ZINC000072179487 205318033 /nfs/dbraw/zinc/31/80/33/205318033.db2.gz CXZFDBDJISCWEO-UHFFFAOYSA-N -1 0 380.806 5.242 1 0 GKAFRM CCO[P@](=O)([O-])[C@H](Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C ZINC000084635364 205397293 /nfs/dbraw/zinc/39/72/93/205397293.db2.gz MDOODWURRGKLCB-QGZVFWFLSA-N -1 0 396.395 5.994 1 0 GKAFRM C/C(=C\C=C\[C@@H](C)CCCc1ccoc1)CCC[C@@H](C)C=C1OC(=O)C(C)=C1[O-] ZINC000096900594 206301827 /nfs/dbraw/zinc/30/18/27/206301827.db2.gz HSRYYQFDLALWMZ-DOJMJTPOSA-N -1 0 398.543 6.820 1 0 GKAFRM Cc1cc(Cl)cc2c(C(=O)[O-])cc(-c3ccc(Br)cc3)nc12 ZINC000001490481 206384789 /nfs/dbraw/zinc/38/47/89/206384789.db2.gz TZOKMWXGAXPQIM-UHFFFAOYSA-N -1 0 376.637 5.324 1 0 GKAFRM O=c1c2c([n-]n1-c1ccccc1)C=C(c1ccc(F)cc1)C[C@H]2c1ccccc1 ZINC000096929719 211352129 /nfs/dbraw/zinc/35/21/29/211352129.db2.gz WEKZUPQBBOQRGH-QFIPXVFZSA-N -1 0 382.438 5.381 1 0 GKAFRM Cc1ccc(-c2ccc(Cl)cc2COc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000084689556 211174867 /nfs/dbraw/zinc/17/48/67/211174867.db2.gz QHTKDFCQNBUXFU-UHFFFAOYSA-N -1 0 380.871 5.912 1 0 GKAFRM Cc1ccc(-c2oc3ccc(OCc4cccc(F)c4)cc3c2C(=O)[O-])cc1 ZINC000084668393 211173240 /nfs/dbraw/zinc/17/32/40/211173240.db2.gz RLAAGPSUPCRACW-UHFFFAOYSA-N -1 0 376.383 5.825 1 0 GKAFRM O=C([O-])c1cc(-c2ccco2)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000012358148 206889060 /nfs/dbraw/zinc/88/90/60/206889060.db2.gz IVQFOWVLYRHJKW-UHFFFAOYSA-N -1 0 376.195 5.204 1 0 GKAFRM O=C([O-])Cc1ccccc1-c1cccc(-c2ccccc2OCc2ccccc2)c1 ZINC000013554027 206979681 /nfs/dbraw/zinc/97/96/81/206979681.db2.gz AMSJJJTTZPVHKS-UHFFFAOYSA-N -1 0 394.470 6.227 1 0 GKAFRM O=C([O-])CC1=C/C(=C\c2ccc(SC(F)(F)F)cc2)c2ccc(F)cc21 ZINC000040848276 210796263 /nfs/dbraw/zinc/79/62/63/210796263.db2.gz NPPDMRLSURBHGR-KPKJPENVSA-N -1 0 380.362 5.850 1 0 GKAFRM CC(/C=C/[C@@]12C[C@]1(c1ccc3c(c1)C(C)(C)CCC3(C)C)CCC2)=C\C(=O)[O-] ZINC000026403759 207313488 /nfs/dbraw/zinc/31/34/88/207313488.db2.gz WYLRCUSVWGFVQB-FCYKCFNLSA-N -1 0 378.556 6.435 1 0 GKAFRM CCCCC/C=C\C/C=C\[C@H]1CC(C)=C(C)C[C@H]1/C=C\C/C=C\CCCC(=O)[O-] ZINC000026566342 207316401 /nfs/dbraw/zinc/31/64/01/207316401.db2.gz BTFDYCBECSCZCH-OKNUNLOKSA-N -1 0 398.631 8.189 1 0 GKAFRM CCC[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1-c1ccccc1 ZINC000027626167 207329463 /nfs/dbraw/zinc/32/94/63/207329463.db2.gz VXXNXJBUVSOHNJ-QHCPKHFHSA-N -1 0 387.479 5.252 1 0 GKAFRM CC[C@@]1(C2CCCC2)Cc2cc(OCCCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000027643642 207328444 /nfs/dbraw/zinc/32/84/44/207328444.db2.gz HBUKWXUDZMSEFW-FQEVSTJZSA-N -1 0 399.314 5.562 1 0 GKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCc3nc(-c4ccccc4)oc3C)ccc21 ZINC000028566161 207344314 /nfs/dbraw/zinc/34/43/14/207344314.db2.gz GVDFGDCUSRRJAW-TZIWHRDSSA-N -1 0 391.467 5.370 1 0 GKAFRM CC(=Cc1cccc2[nH]c(-c3cccc(-c4ccc(C)c(C)c4)n3)nc21)C(=O)[O-] ZINC000028570255 207345622 /nfs/dbraw/zinc/34/56/22/207345622.db2.gz PYQFMBQOHRTPKB-DTQAZKPQSA-N -1 0 383.451 5.397 1 0 GKAFRM CC[C@@H](C)OC(=O)Nc1ccc(=O)c2c([O-])cc(-c3ccccc3Cl)oc1-2 ZINC000028641101 207346648 /nfs/dbraw/zinc/34/66/48/207346648.db2.gz DBOPMBQNSPQMEZ-LLVKDONJSA-N -1 0 387.819 5.166 1 0 GKAFRM O=C([O-])[C@@H]1C[C@@H]1c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000028462214 207342726 /nfs/dbraw/zinc/34/27/26/207342726.db2.gz FQGRVYDSPVYIBO-BPJLEKNZSA-N -1 0 388.507 5.715 1 0 GKAFRM O=C(Nc1ccccc1)c1ccc([O-])c2nc(-c3ccc(Cl)cc3Cl)[nH]c21 ZINC000028950428 207350709 /nfs/dbraw/zinc/35/07/09/207350709.db2.gz FRVSIDREEJSAIS-UHFFFAOYSA-N -1 0 398.249 5.495 1 0 GKAFRM Cc1c(-c2ccc(-c3ccc(O)cc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029335955 207360870 /nfs/dbraw/zinc/36/08/70/207360870.db2.gz UXRZTEBSXVAUCK-UHFFFAOYSA-N -1 0 391.373 5.559 1 0 GKAFRM CSc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029329546 207361104 /nfs/dbraw/zinc/36/11/04/207361104.db2.gz URJVYMMOGGVEOM-UHFFFAOYSA-N -1 0 389.451 6.128 1 0 GKAFRM Cc1ccc(-c2oc3ccc(OCc4cccc(Cl)c4)cc3c2C(=O)[O-])cc1 ZINC000084757939 208098068 /nfs/dbraw/zinc/09/80/68/208098068.db2.gz ONDQPJIIVRQPLO-UHFFFAOYSA-N -1 0 392.838 6.339 1 0 GKAFRM O=C([O-])c1sc2cc(Cl)ccc2c1CCCOc1cccc2ccccc21 ZINC000095596143 208237112 /nfs/dbraw/zinc/23/71/12/208237112.db2.gz COLLXPQODXVGIQ-UHFFFAOYSA-N -1 0 396.895 6.418 1 0 GKAFRM O=C([O-])C[C@H]1CCC[C@@H]1Cc1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026675341 210504126 /nfs/dbraw/zinc/50/41/26/210504126.db2.gz ABYZPONXFYGWLR-WOJBJXKFSA-N -1 0 375.468 5.247 1 0 GKAFRM Cc1ccccc1-c1nn2c([N-]c3nc4ccc(Cl)cc4s3)nnc2s1 ZINC000098084863 208367120 /nfs/dbraw/zinc/36/71/20/208367120.db2.gz ADEYHBSQYDFERP-UHFFFAOYSA-N -1 0 398.904 5.168 1 0 GKAFRM O=C([O-])c1cc2ccc(C(F)(F)F)cc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000013588876 221275741 /nfs/dbraw/zinc/27/57/41/221275741.db2.gz IDOQOPTWGLKXIG-UHFFFAOYSA-N -1 0 388.172 5.713 1 0 GKAFRM CC(/C=C/C=C(/C)c1cc(C(C)C)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013522229 221270251 /nfs/dbraw/zinc/27/02/51/221270251.db2.gz RGYLMMOLYCYTKC-BZIVGMQQSA-N -1 0 392.486 6.568 1 0 GKAFRM C[C@]1(Cc2ccccc2)OC(=S)[N-]c2ccc(-c3cccc(Cl)c3)cc21 ZINC000013488875 221270631 /nfs/dbraw/zinc/27/06/31/221270631.db2.gz JSOJTUILYANJMW-JOCHJYFZSA-N -1 0 379.912 6.192 1 0 GKAFRM CCCc1cc2c(CC)noc2c(CCC)c1O[C@@H](C(=O)[O-])c1ccccc1 ZINC000013539294 221272255 /nfs/dbraw/zinc/27/22/55/221272255.db2.gz ZNFQACQKTCDXGN-OAQYLSRUSA-N -1 0 381.472 5.500 1 0 GKAFRM Cc1ccc(Oc2cccc(-c3c([O-])c4ccc(Cl)cc4[nH]c3=O)c2)cc1 ZINC000013775719 221287885 /nfs/dbraw/zinc/28/78/85/221287885.db2.gz MCQWIIVNQWKJDH-UHFFFAOYSA-N -1 0 377.827 5.655 1 0 GKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCc3cc(-c4ccccc4)on3)ccc21 ZINC000028565863 221680001 /nfs/dbraw/zinc/68/00/01/221680001.db2.gz RDUZREOUPIAMIS-CTNGQTDRSA-N -1 0 377.440 5.061 1 0 GKAFRM O=C([O-])c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cc21 ZINC000035086917 221811887 /nfs/dbraw/zinc/81/18/87/221811887.db2.gz HRKKYWKPZVNMQI-UHFFFAOYSA-N -1 0 375.811 5.626 1 0 GKAFRM CCC1=C[C@@H](C)[C@@H]2C(C)=C[C@](C)(/C=C(C)/C=C/c3ccccc3)[C@](C)(C(=O)[O-])[C@@H]12 ZINC000058580921 222054119 /nfs/dbraw/zinc/05/41/19/222054119.db2.gz OPQNKFIXMSPDAA-RSTNLCSYSA-N -1 0 390.567 6.922 1 0 GKAFRM Nc1ccc(-c2nc(-c3ccc4oc5c(cccc5C(=O)[O-])c4c3)cs2)cc1 ZINC000064531894 222072775 /nfs/dbraw/zinc/07/27/75/222072775.db2.gz XAXRETYEKMHBIX-UHFFFAOYSA-N -1 0 386.432 5.657 1 0 GKAFRM CCc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1 ZINC000066103683 222137615 /nfs/dbraw/zinc/13/76/15/222137615.db2.gz IEWFZNLCMANOLT-KRWDZBQOSA-N -1 0 382.765 5.361 1 0 GKAFRM O=C([O-])C1=Cc2c(ccc(Cl)c2Sc2ccccc2)O[C@H]1C(F)(F)F ZINC000066259128 222139459 /nfs/dbraw/zinc/13/94/59/222139459.db2.gz VQCXRIZAWVJTQC-OAHLLOKOSA-N -1 0 386.778 5.283 1 0 GKAFRM CC(C)/C(=C1/c2ccccc2N(Cc2cccc(C(=O)[O-])c2)C1=O)c1ccccc1 ZINC000096270361 222407608 /nfs/dbraw/zinc/40/76/08/222407608.db2.gz OXQOQYXJZXMGOQ-WCWDXBQESA-N -1 0 397.474 5.498 1 0 GKAFRM O=C([O-])c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(Cl)cc21 ZINC000096270336 222407832 /nfs/dbraw/zinc/40/78/32/222407832.db2.gz NPMGPHKLPREXTE-UHFFFAOYSA-N -1 0 375.811 6.046 1 0 GKAFRM CCCOc1cc2c(cc1/C(C)=C\C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC2(C)C ZINC000169343258 517590141 /nfs/dbraw/zinc/59/01/41/517590141.db2.gz 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