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@H](C(=O)[O-])c1ccc(-c2ccsc2)cc1 ZINC000000000054 176586017 /nfs/dbraw/zinc/58/60/17/176586017.db2.gz PFLCZHOSQMPCMN-VIFPVBQESA-N -1 0 232.304 3.603 10 0 BHAERM CCC(CC)(C(=O)[O-])c1cccc2ccccc21 ZINC000000001765 168312585 /nfs/dbraw/zinc/31/25/85/168312585.db2.gz NONNPKGLUCHFEW-UHFFFAOYSA-N -1 0 242.318 3.982 10 0 in-man BHAERM Cc1ccsc1-c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000000020383 490326012 /nfs/dbraw/zinc/32/60/12/490326012.db2.gz DTOPKPBTCXKNFF-SNVBAGLBSA-N -1 0 246.331 3.912 10 0 BHAERM O=C([O-])c1ccc(Cl)cc1Oc1ccccc1 ZINC000000133156 188098771 /nfs/dbraw/zinc/09/87/71/188098771.db2.gz NRXQKEGQEBOTAJ-UHFFFAOYSA-N -1 0 248.665 3.831 10 0 BHAERM CCC(CC)(CC)c1cccc(C(=O)[O-])c1 ZINC000000345990 168319604 /nfs/dbraw/zinc/31/96/04/168319604.db2.gz XROBYNITKHVZOB-UHFFFAOYSA-N -1 0 220.312 3.853 10 0 BHAERM CCc1cccc(Nc2ccccc2C(=O)[O-])c1 ZINC000001576785 171864820 /nfs/dbraw/zinc/86/48/20/171864820.db2.gz ZTLAQZXMUUKFOV-UHFFFAOYSA-N -1 0 241.290 3.691 10 0 BHAERM [O-]c1c(Cl)c(Cl)c(Cl)c2cccnc12 ZINC000001602263 183253789 /nfs/dbraw/zinc/25/37/89/183253789.db2.gz UCYJDCBBSWMOTP-UHFFFAOYSA-N -1 0 248.496 3.901 10 0 BHAERM O=C([O-])c1ccc2c(c1)Sc1ccccc1N2 ZINC000001606209 368659374 /nfs/dbraw/zinc/65/93/74/368659374.db2.gz ZAZBAXPDYNCBBL-UHFFFAOYSA-N -1 0 243.287 3.593 10 0 BHAERM CCCC[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000001606231 357001364 /nfs/dbraw/zinc/00/13/64/357001364.db2.gz HREYHQRIGKRHKZ-LBPRGKRZSA-N -1 0 212.333 3.848 10 0 BHAERM C[C@H](C(=O)[O-])c1cc(F)cc(-c2ccccc2)c1 ZINC000001854367 368711739 /nfs/dbraw/zinc/71/17/39/368711739.db2.gz XWGXYBHCFSEUGR-JTQLQIEISA-N -1 0 244.265 3.681 10 0 BHAERM C[C@@H](C(=O)[O-])c1cc(F)cc(-c2ccccc2)c1 ZINC000001854369 368711902 /nfs/dbraw/zinc/71/19/02/368711902.db2.gz XWGXYBHCFSEUGR-SNVBAGLBSA-N -1 0 244.265 3.681 10 0 BHAERM O=C([O-])Cc1cc(Cl)cc(-c2ccccc2)c1 ZINC000001854392 182489678 /nfs/dbraw/zinc/48/96/78/182489678.db2.gz RZLRSTFBXAMFJV-UHFFFAOYSA-N -1 0 246.693 3.634 10 0 BHAERM C[C@H](C(=O)[O-])c1cccc(-c2ccccc2)c1 ZINC000002005356 342714247 /nfs/dbraw/zinc/71/42/47/342714247.db2.gz OQMCVCHIWJWEHF-NSHDSACASA-N -1 0 226.275 3.542 10 0 BHAERM C[C@@H](C(=O)[O-])c1cccc(-c2ccccc2)c1 ZINC000002005358 175627221 /nfs/dbraw/zinc/62/72/21/175627221.db2.gz OQMCVCHIWJWEHF-LLVKDONJSA-N -1 0 226.275 3.542 10 0 BHAERM C=CCSC(=S)[N-]c1ccc(Cl)cc1 ZINC000002031325 368740279 /nfs/dbraw/zinc/74/02/79/368740279.db2.gz KSJWGECKBDEOKS-UHFFFAOYSA-N -1 0 243.784 3.956 10 0 BHAERM C/C(=C/c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000002173625 188274936 /nfs/dbraw/zinc/27/49/36/188274936.db2.gz HUEZEUMIYQSSJE-RQOWECAXSA-N -1 0 237.107 3.543 10 0 BHAERM CC(C)=CCC/C(C)=C/Cc1c[nH]c(C(=O)[O-])c1 ZINC000002507154 192033337 /nfs/dbraw/zinc/03/33/37/192033337.db2.gz UEQIBCOZMSTCSW-KPKJPENVSA-N -1 0 247.338 3.948 10 0 in-vitro BHAERM C[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1F ZINC000002556392 342724109 /nfs/dbraw/zinc/72/41/09/342724109.db2.gz ICKWGFYFODTQTL-JTQLQIEISA-N -1 0 244.265 3.681 10 0 BHAERM CCOC(=O)Oc1ccc2cc([S-])ccc2c1 ZINC000002577196 342725164 /nfs/dbraw/zinc/72/51/64/342725164.db2.gz DNNBKTQCOWALOH-UHFFFAOYSA-N -1 0 248.303 3.664 10 0 BHAERM O=C([O-])/C=C/c1ccc(Oc2ccccc2)cc1 ZINC000002577965 342725282 /nfs/dbraw/zinc/72/52/82/342725282.db2.gz XWGDODCEQXQAFQ-DHZHZOJOSA-N -1 0 240.258 3.577 10 0 BHAERM CCCCCC[C@H](CC)CCC(=O)[O-] ZINC000002578863 342725603 /nfs/dbraw/zinc/72/56/03/342725603.db2.gz OKOWVWPQZJVLTC-NSHDSACASA-N -1 0 200.322 3.848 10 0 BHAERM CC(C)(C)c1ccc(CCCCC(=O)[O-])s1 ZINC000003162878 188101250 /nfs/dbraw/zinc/10/12/50/188101250.db2.gz LRHJGKIQHVDIRX-UHFFFAOYSA-N -1 0 240.368 3.843 10 0 BHAERM O=C([O-])CSc1ccc(-c2ccccc2)cc1 ZINC000003600378 384021334 /nfs/dbraw/zinc/02/13/34/384021334.db2.gz JUOJESMBZPRKIA-UHFFFAOYSA-N -1 0 244.315 3.530 10 0 BHAERM O=C([O-])[C@@H]1CCc2cc(C3CCCCC3)ccc21 ZINC000003643906 368879000 /nfs/dbraw/zinc/87/90/00/368879000.db2.gz BKEWDCUQDVDPHC-OAHLLOKOSA-N -1 0 244.334 3.849 10 0 BHAERM [S-]c1cc(Cl)cc(Cl)c1Cl ZINC000003649748 372041374 /nfs/dbraw/zinc/04/13/74/372041374.db2.gz LDZBJXAJFZJITQ-UHFFFAOYSA-N -1 0 213.516 3.936 10 0 BHAERM Cc1cc(C)c2nc(C(C)C)cc(C(=O)[O-])c2c1 ZINC000003756453 177886692 /nfs/dbraw/zinc/88/66/92/177886692.db2.gz LGIFURCEKOZLOU-UHFFFAOYSA-N -1 0 243.306 3.673 10 0 BHAERM Cc1ccc(C)c2c(C(=O)[O-])cc(C(C)C)nc12 ZINC000003756497 178504604 /nfs/dbraw/zinc/50/46/04/178504604.db2.gz MYBOPBDAIQSHBH-UHFFFAOYSA-N -1 0 243.306 3.673 10 0 BHAERM CC(C)c1cc(C(=O)[O-])c2cccc(Cl)c2n1 ZINC000003756683 167567814 /nfs/dbraw/zinc/56/78/14/167567814.db2.gz UKHRMOPSFUYYSQ-UHFFFAOYSA-N -1 0 249.697 3.710 10 0 BHAERM CC1=C[C@H]2[C@@H](CC1)C(C(=O)[O-])=CC[C@@H]2C(C)C ZINC000004098299 168132418 /nfs/dbraw/zinc/13/24/18/168132418.db2.gz WMNZIVZTRJKKHL-MBNYWOFBSA-N -1 0 234.339 3.646 10 0 biogenic,in-vitro BHAERM CSc1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000004204282 175579447 /nfs/dbraw/zinc/57/94/47/175579447.db2.gz HVLUWWUXBGIXOW-UHFFFAOYSA-N -1 0 244.315 3.774 10 0 BHAERM O=C([O-])CCc1ccc2oc3ccccc3c2c1 ZINC000004336556 384057447 /nfs/dbraw/zinc/05/74/47/384057447.db2.gz MNWYEKQCQFAIEM-UHFFFAOYSA-N -1 0 240.258 3.603 10 0 BHAERM O=C([O-])CCC[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000004748103 182441485 /nfs/dbraw/zinc/44/14/85/182441485.db2.gz CFROPYFFUMSEEL-AGIUHOORSA-N -1 0 224.344 3.848 10 0 BHAERM C/C(=C\C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000005045971 346609544 /nfs/dbraw/zinc/60/95/44/346609544.db2.gz ZNIHYWBWYANARQ-VAWYXSNFSA-N -1 0 238.286 3.842 10 0 BHAERM CC(C)=CCCC1=CCC[C@@](C)(C(=O)[O-])C1 ZINC000005158683 188276882 /nfs/dbraw/zinc/27/68/82/188276882.db2.gz YFCNEIWVIJVLHW-CQSZACIVSA-N -1 0 222.328 3.934 10 0 BHAERM CC(C)=CCCC1=CCC[C@](C)(C(=O)[O-])C1 ZINC000005158692 188277403 /nfs/dbraw/zinc/27/74/03/188277403.db2.gz YFCNEIWVIJVLHW-AWEZNQCLSA-N -1 0 222.328 3.934 10 0 BHAERM Cc1csc2sc(/C=C/C(=O)[O-])c(C)c12 ZINC000005218859 179801014 /nfs/dbraw/zinc/80/10/14/179801014.db2.gz WXHZXFSXZUISRX-ONEGZZNKSA-N -1 0 238.333 3.677 10 0 BHAERM CC(=C\C(=O)[O-])/C=C\c1ccc2ccccc2c1 ZINC000005664947 187247731 /nfs/dbraw/zinc/24/77/31/187247731.db2.gz GGDBPPNSJOGAGG-WTVYDBEASA-N -1 0 238.286 3.884 10 0 BHAERM O=C([O-])CCc1ccc(-c2ccc(F)cc2)cc1 ZINC000005763407 182454398 /nfs/dbraw/zinc/45/43/98/182454398.db2.gz POPINLYDNNPCCT-UHFFFAOYSA-N -1 0 244.265 3.510 10 0 BHAERM O=C([O-])CCc1ccc(-c2ccccc2F)cc1 ZINC000005766782 385688147 /nfs/dbraw/zinc/68/81/47/385688147.db2.gz MHWWMURTRDAISH-UHFFFAOYSA-N -1 0 244.265 3.510 10 0 BHAERM CCCC[C@H](CC1CCCCC1)C(=O)[O-] ZINC000005784564 350778483 /nfs/dbraw/zinc/77/84/83/350778483.db2.gz HREYHQRIGKRHKZ-GFCCVEGCSA-N -1 0 212.333 3.848 10 0 BHAERM CCC[C@H](O)CCCCCCCCCC(=O)[O-] ZINC000005838518 351250296 /nfs/dbraw/zinc/25/02/96/351250296.db2.gz DMCZWEUMVOFXBT-ZDUSSCGKSA-N -1 0 244.375 3.743 10 0 in-vitro BHAERM CCC[C@@H](O)CCCCCCCCCC(=O)[O-] ZINC000005841956 384133198 /nfs/dbraw/zinc/13/31/98/384133198.db2.gz DMCZWEUMVOFXBT-CYBMUJFWSA-N -1 0 244.375 3.743 10 0 in-vitro BHAERM Oc1ccccc1Sc1ccccc1 ZINC000005874249 188277817 /nfs/dbraw/zinc/27/78/17/188277817.db2.gz UKKOURMQKUUQMN-UHFFFAOYSA-N -1 0 202.278 3.543 10 0 BHAERM CC[C@H](C(=O)[O-])C1=CC[C@H](CC(C)C)CC1 ZINC000005922819 342771710 /nfs/dbraw/zinc/77/17/10/342771710.db2.gz DJYRKMZXPCJMMA-AAEUAGOBSA-N -1 0 224.344 3.870 10 0 BHAERM CC[C@H](C(=O)[O-])C1=CC[C@@H](CC(C)C)CC1 ZINC000005922821 369031991 /nfs/dbraw/zinc/03/19/91/369031991.db2.gz DJYRKMZXPCJMMA-YPMHNXCESA-N -1 0 224.344 3.870 10 0 BHAERM CC[C@@H](C(=O)[O-])C1=CC[C@H](CC(C)C)CC1 ZINC000005925529 342771509 /nfs/dbraw/zinc/77/15/09/342771509.db2.gz DJYRKMZXPCJMMA-WCQYABFASA-N -1 0 224.344 3.870 10 0 BHAERM CC[C@@H](C(=O)[O-])C1=CC[C@@H](CC(C)C)CC1 ZINC000005925530 369032020 /nfs/dbraw/zinc/03/20/20/369032020.db2.gz DJYRKMZXPCJMMA-DGCLKSJQSA-N -1 0 224.344 3.870 10 0 BHAERM C[C@H](C(=O)[O-])c1ccc(C=C(Cl)Cl)cc1 ZINC000006030328 176586041 /nfs/dbraw/zinc/58/60/41/176586041.db2.gz FZCWHTVESKULLI-ZETCQYMHSA-N -1 0 245.105 3.651 10 0 BHAERM C[C@@H](C(=O)[O-])c1ccc(C2=CCCCC2)cc1 ZINC000006037100 175627079 /nfs/dbraw/zinc/62/70/79/175627079.db2.gz CVBPQTZKZQWEFX-LLVKDONJSA-N -1 0 230.307 3.832 10 0 in-man BHAERM C[C@@H](C(=O)[O-])c1ccc(C=C(Cl)Cl)cc1 ZINC000006037102 342772660 /nfs/dbraw/zinc/77/26/60/342772660.db2.gz FZCWHTVESKULLI-SSDOTTSWSA-N -1 0 245.105 3.651 10 0 BHAERM Cc1ccc(-c2nc3c(cccc3O)s2)cc1 ZINC000006071166 178337401 /nfs/dbraw/zinc/33/74/01/178337401.db2.gz XYVBFHRLFOBGMT-UHFFFAOYSA-N -1 0 241.315 3.977 10 0 BHAERM O=C([O-])[C@H]1CCc2cc(C3CCCCC3)ccc21 ZINC000006094005 182540586 /nfs/dbraw/zinc/54/05/86/182540586.db2.gz BKEWDCUQDVDPHC-HNNXBMFYSA-N -1 0 244.334 3.849 10 0 BHAERM O=C([O-])c1cccc(-c2cc3ccccc3o2)c1 ZINC000006744977 360709649 /nfs/dbraw/zinc/70/96/49/360709649.db2.gz YXFVUPBRAAWFRZ-UHFFFAOYSA-N -1 0 238.242 3.798 10 0 BHAERM O=C([O-])c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000006756743 342756811 /nfs/dbraw/zinc/75/68/11/342756811.db2.gz ZXBYSKXGTXOVLN-UHFFFAOYSA-N -1 0 249.269 3.600 10 0 BHAERM O=C([O-])c1ccc(-c2cncc3ccccc32)cc1 ZINC000006757534 342782250 /nfs/dbraw/zinc/78/22/50/342782250.db2.gz RGMRPLQCSZSHJB-UHFFFAOYSA-N -1 0 249.269 3.600 10 0 BHAERM CC(C)CCSc1ccc(C(=O)[O-])s1 ZINC000006883436 361079436 /nfs/dbraw/zinc/07/94/36/361079436.db2.gz SXZKYJWPFBPNOJ-UHFFFAOYSA-N -1 0 230.354 3.585 10 0 BHAERM CC(C)CSc1ccc(/C=C/C(=O)[O-])s1 ZINC000006883715 361080717 /nfs/dbraw/zinc/08/07/17/361080717.db2.gz ZIVQFVRXKJIHBO-HWKANZROSA-N -1 0 242.365 3.594 10 0 BHAERM Cc1cccc(Sc2ccccc2C(=O)[O-])c1 ZINC000006924308 179176667 /nfs/dbraw/zinc/17/66/67/179176667.db2.gz MACQTAIPPIPIPH-UHFFFAOYSA-N -1 0 244.315 3.844 10 0 BHAERM O=C([O-])c1cc(F)ccc1Sc1ccccc1 ZINC000006927611 342786248 /nfs/dbraw/zinc/78/62/48/342786248.db2.gz RWIODUJYRUEMRB-UHFFFAOYSA-N -1 0 248.278 3.675 10 0 BHAERM CCC(CC)(CC)c1ccccc1C(=O)[O-] ZINC000007023253 168319069 /nfs/dbraw/zinc/31/90/69/168319069.db2.gz BRPZFVFAUYDVCP-UHFFFAOYSA-N -1 0 220.312 3.853 10 0 BHAERM CCCCCSc1ccc(C(=O)[O-])s1 ZINC000007261550 361574270 /nfs/dbraw/zinc/57/42/70/361574270.db2.gz LHKTUYNHIMBWNC-UHFFFAOYSA-N -1 0 230.354 3.729 10 0 BHAERM CCCCSc1ccc(/C=C/C(=O)[O-])s1 ZINC000007262009 361573423 /nfs/dbraw/zinc/57/34/23/361573423.db2.gz RSCGTFFDVAOVHE-GQCTYLIASA-N -1 0 242.365 3.738 10 0 BHAERM Cc1ccc(C(C)(C)C)c2occ(CC(=O)[O-])c21 ZINC000008028789 388400427 /nfs/dbraw/zinc/40/04/27/388400427.db2.gz PWMFRVNAPIFUFD-UHFFFAOYSA-N -1 0 246.306 3.666 10 0 BHAERM Cc1cc2c(CC(=O)[O-])coc2c(C(C)(C)C)c1 ZINC000008028793 384191470 /nfs/dbraw/zinc/19/14/70/384191470.db2.gz AWUKQJDPXHCOQF-UHFFFAOYSA-N -1 0 246.306 3.666 10 0 BHAERM CCC(C)(C)c1ccc2occ(CC(=O)[O-])c2c1 ZINC000008028798 168305191 /nfs/dbraw/zinc/30/51/91/168305191.db2.gz HLIOUEIUQXTYDL-UHFFFAOYSA-N -1 0 246.306 3.748 10 0 BHAERM C[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000008362660 177029023 /nfs/dbraw/zinc/02/90/23/177029023.db2.gz YBSYBIUFIDWBQM-VIFPVBQESA-N -1 0 238.352 3.549 10 0 BHAERM C[C@@H](Sc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000008362663 176009686 /nfs/dbraw/zinc/00/96/86/176009686.db2.gz YBSYBIUFIDWBQM-SECBINFHSA-N -1 0 238.352 3.549 10 0 BHAERM Cc1ccc(-c2ccc(C(=O)[O-])s2)cc1C ZINC000009189766 178322777 /nfs/dbraw/zinc/32/27/77/178322777.db2.gz VWLWDNOZCOUZEC-UHFFFAOYSA-N -1 0 232.304 3.730 10 0 BHAERM Cc1ccc(-c2ccc(CCC(=O)[O-])s2)cc1 ZINC000009280345 178324237 /nfs/dbraw/zinc/32/42/37/178324237.db2.gz MCNLIIFUPBLPPT-UHFFFAOYSA-N -1 0 246.331 3.741 10 0 BHAERM O=C([O-])/C(=C/c1ccco1)c1ccc(Cl)cc1 ZINC000011589310 182407890 /nfs/dbraw/zinc/40/78/90/182407890.db2.gz HJSWGUQBOGODKW-XYOKQWHBSA-N -1 0 248.665 3.558 10 0 BHAERM Cc1cccc([C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000011628975 187249421 /nfs/dbraw/zinc/24/94/21/187249421.db2.gz UOPMKNZFFSPUIH-HNNXBMFYSA-N -1 0 240.302 3.602 10 0 BHAERM Cc1cccc([C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000011628976 179199427 /nfs/dbraw/zinc/19/94/27/179199427.db2.gz UOPMKNZFFSPUIH-OAHLLOKOSA-N -1 0 240.302 3.602 10 0 BHAERM CCc1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000011800438 171828459 /nfs/dbraw/zinc/82/84/59/171828459.db2.gz HKFCMZHSKOZASK-UHFFFAOYSA-N -1 0 242.274 3.740 10 0 BHAERM Cc1ccccc1SCc1ccc(C(=O)[O-])o1 ZINC000011802069 187414236 /nfs/dbraw/zinc/41/42/36/187414236.db2.gz UQBAWSWTBRLNCX-UHFFFAOYSA-N -1 0 248.303 3.579 10 0 BHAERM Cc1ccc(Oc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000011803439 384587946 /nfs/dbraw/zinc/58/79/46/384587946.db2.gz RSCPCSGHNOWQCK-UHFFFAOYSA-N -1 0 242.274 3.794 10 0 BHAERM C[C@@H](Sc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000011889453 176009537 /nfs/dbraw/zinc/00/95/37/176009537.db2.gz AGAIMVHZJCCSRA-SECBINFHSA-N -1 0 248.303 3.831 10 0 BHAERM C[C@H](Sc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000011889457 177029503 /nfs/dbraw/zinc/02/95/03/177029503.db2.gz AGAIMVHZJCCSRA-VIFPVBQESA-N -1 0 248.303 3.831 10 0 BHAERM Cc1ccc(C)c(S[C@@H](C(=O)[O-])C(C)C)c1 ZINC000011889537 178492676 /nfs/dbraw/zinc/49/26/76/178492676.db2.gz CPLSYZOOMFRMOU-GFCCVEGCSA-N -1 0 238.352 3.505 10 0 BHAERM CCCCCCOc1ccccc1/C=C/C(=O)[O-] ZINC000011890478 343028321 /nfs/dbraw/zinc/02/83/21/343028321.db2.gz RJJYTTSIAKODKQ-ZHACJKMWSA-N -1 0 248.322 3.744 10 0 BHAERM Cc1cccc(C)c1Oc1ccc(C(=O)[O-])cc1 ZINC000011891010 179049342 /nfs/dbraw/zinc/04/93/42/179049342.db2.gz LUTWCFLYLWYYOH-UHFFFAOYSA-N -1 0 242.274 3.794 10 0 BHAERM Cc1cccc(SCc2ccc(C(=O)[O-])o2)c1 ZINC000011962710 179177614 /nfs/dbraw/zinc/17/76/14/179177614.db2.gz KUFIAZOETMDOEN-UHFFFAOYSA-N -1 0 248.303 3.579 10 0 BHAERM CCCCCCOc1cccc(/C=C/C(=O)[O-])c1 ZINC000011993037 168672939 /nfs/dbraw/zinc/67/29/39/168672939.db2.gz OJQMDRSTCYIBAP-MDZDMXLPSA-N -1 0 248.322 3.744 10 0 BHAERM Cc1cccc(Oc2ccc(C(=O)[O-])cc2)c1C ZINC000011993314 179175539 /nfs/dbraw/zinc/17/55/39/179175539.db2.gz UUQZLGZGGWLWQM-UHFFFAOYSA-N -1 0 242.274 3.794 10 0 BHAERM CC(C)[C@H](Sc1ccccc1Cl)C(=O)[O-] ZINC000011993579 187817450 /nfs/dbraw/zinc/81/74/50/187817450.db2.gz HPRFSKDUYYKKJK-JTQLQIEISA-N -1 0 244.743 3.541 10 0 BHAERM Cc1ccc2c(C)ccc([C@H](C)C(=O)[O-])cc1-2 ZINC000013385393 178881980 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259302051 /nfs/dbraw/zinc/30/20/51/259302051.db2.gz OVASNIDFAGGBHJ-CYBMUJFWSA-N -1 0 244.375 3.743 10 0 BHAERM CCCCCC[C@H](O)CCCCCCC(=O)[O-] ZINC000014510354 259302086 /nfs/dbraw/zinc/30/20/86/259302086.db2.gz OVASNIDFAGGBHJ-ZDUSSCGKSA-N -1 0 244.375 3.743 10 0 BHAERM O=C([O-])C1(c2ccccc2Cl)CCCCC1 ZINC000015014776 384413805 /nfs/dbraw/zinc/41/38/05/384413805.db2.gz DQMIRZBUUYBQQZ-UHFFFAOYSA-N -1 0 238.714 3.627 10 0 BHAERM CCCCC[C@@H](C)n1[n-]c(C(C)(C)C)cc1=O ZINC000015043198 342890945 /nfs/dbraw/zinc/89/09/45/342890945.db2.gz ZFAQZTVCHAAZPK-LLVKDONJSA-N -1 0 238.375 3.590 10 0 BHAERM CCCCC[C@H](C)n1[n-]c(C(C)(C)C)cc1=O ZINC000015043202 342891073 /nfs/dbraw/zinc/89/10/73/342891073.db2.gz ZFAQZTVCHAAZPK-NSHDSACASA-N -1 0 238.375 3.590 10 0 BHAERM Cc1ccc(-c2ccc([S-])cc2)cc1 ZINC000015441810 178325754 /nfs/dbraw/zinc/32/57/54/178325754.db2.gz IOOGUXDWDUHGAV-UHFFFAOYSA-N -1 0 200.306 3.951 10 0 BHAERM COc1cccc(-c2ccc([S-])cc2)c1 ZINC000015441828 175234644 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OMYOPFFDDCJXEQ-UHFFFAOYSA-N -1 0 249.354 3.696 10 0 BHAERM CCCCCCn1c(C(=O)[O-])cc2ccccc21 ZINC000020519839 168681877 /nfs/dbraw/zinc/68/18/77/168681877.db2.gz JXLNMURQJSIVMY-UHFFFAOYSA-N -1 0 245.322 3.920 10 0 BHAERM CC[C@@H](C)c1ccc(CCCC(=O)[O-])cc1 ZINC000020566018 170804548 /nfs/dbraw/zinc/80/45/48/170804548.db2.gz FFTUWEHITNHOSG-LLVKDONJSA-N -1 0 220.312 3.607 10 0 BHAERM Cc1cccc(C)c1-n1c(=S)[n-]nc1C(C)C ZINC000020590510 179029415 /nfs/dbraw/zinc/02/94/15/179029415.db2.gz NFHSTGPERBNFHJ-UHFFFAOYSA-N -1 0 247.367 3.670 10 0 BHAERM Cc1c(C)c(C)c(CCCC(=O)[O-])c(C)c1C ZINC000021508135 177575607 /nfs/dbraw/zinc/57/56/07/177575607.db2.gz MEBKVBVJYOBNME-UHFFFAOYSA-N -1 0 234.339 3.636 10 0 BHAERM O=C([O-])c1ccc(SC2CCCCC2)cc1 ZINC000021515092 350492184 /nfs/dbraw/zinc/49/21/84/350492184.db2.gz GPIHXDJEPYCDJQ-UHFFFAOYSA-N -1 0 236.336 3.810 10 0 BHAERM O=C([O-])c1c(Cl)ccc2cc(Cl)ccc21 ZINC000021988970 343032546 /nfs/dbraw/zinc/03/25/46/343032546.db2.gz HYJXBCXCYRJQDW-UHFFFAOYSA-N -1 0 241.073 3.845 10 0 BHAERM C[C@@H](C(=O)[O-])c1ccc(CC2CCCC2)cc1 ZINC000026253913 175626852 /nfs/dbraw/zinc/62/68/52/175626852.db2.gz WSOPVHOFFLFIGE-LLVKDONJSA-N -1 0 232.323 3.607 10 0 BHAERM C[C@H](C(=O)[O-])c1ccc(CC2CCCC2)cc1 ZINC000026253919 176585761 /nfs/dbraw/zinc/58/57/61/176585761.db2.gz WSOPVHOFFLFIGE-NSHDSACASA-N -1 0 232.323 3.607 10 0 BHAERM Cc1ccc(-c2ccc(CCC(=O)[O-])o2)cc1C ZINC000026467829 178323964 /nfs/dbraw/zinc/32/39/64/178323964.db2.gz LXPRZDPPTYWUQE-UHFFFAOYSA-N -1 0 244.290 3.581 10 0 BHAERM CCCCc1ccc2[n-]c(=S)sc2c1 ZINC000026469551 169024499 /nfs/dbraw/zinc/02/44/99/169024499.db2.gz VVSMPKIKVDRWMP-UHFFFAOYSA-N -1 0 223.366 3.928 10 0 BHAERM S=c1[n-]c2cc(Cl)c(Cl)cc2s1 ZINC000026469564 357144100 /nfs/dbraw/zinc/14/41/00/357144100.db2.gz JAHGNXIJPWTQNB-UHFFFAOYSA-N -1 0 236.148 3.892 10 0 BHAERM O=C([O-])C[C@@H]1CCC2(C1)CCCCCC2 ZINC000027412651 383946374 /nfs/dbraw/zinc/94/63/74/383946374.db2.gz NLPWXGITZVBGAM-NSHDSACASA-N -1 0 210.317 3.602 10 0 BHAERM O=C([O-])C[C@H]1CCC2(C1)CCCCCC2 ZINC000027412653 383946449 /nfs/dbraw/zinc/94/64/49/383946449.db2.gz NLPWXGITZVBGAM-LLVKDONJSA-N -1 0 210.317 3.602 10 0 BHAERM CCCCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000027646860 168745095 /nfs/dbraw/zinc/74/50/95/168745095.db2.gz UWRIDFWFGAJTSH-CYBMUJFWSA-N -1 0 220.312 3.510 10 0 BHAERM Cc1ccc(C(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000028760499 187255601 /nfs/dbraw/zinc/25/56/01/187255601.db2.gz GYVFYXJLIDHYMG-UHFFFAOYSA-N -1 0 246.693 3.585 10 0 BHAERM CC(C(=O)[O-])=C1CCC(c2ccccc2)CC1 ZINC000029321324 384998831 /nfs/dbraw/zinc/99/88/31/384998831.db2.gz JJNMXMWWWMRCRR-UHFFFAOYSA-N -1 0 230.307 3.745 10 0 BHAERM CC(C(=O)[O-])=C1CCC(C(C)(C)C)CC1 ZINC000029326543 166498059 /nfs/dbraw/zinc/49/80/59/166498059.db2.gz HWJRSKLBEDYOPW-UHFFFAOYSA-N -1 0 210.317 3.624 10 0 BHAERM CCCCCc1nc2ccc(C(=O)[O-])cc2s1 ZINC000031894182 168750216 /nfs/dbraw/zinc/75/02/16/168750216.db2.gz OQCANVNOUFCRRQ-UHFFFAOYSA-N -1 0 249.335 3.727 10 0 BHAERM O=C([O-])c1cc(Cl)ccc1-c1ccccc1 ZINC000032003023 345705384 /nfs/dbraw/zinc/70/53/84/345705384.db2.gz UBKZKIKULURYDP-UHFFFAOYSA-N -1 0 232.666 3.705 10 0 BHAERM CC(C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000032102728 167346737 /nfs/dbraw/zinc/34/67/37/167346737.db2.gz RJDHOVUCIDDHER-SNVBAGLBSA-N -1 0 247.121 3.818 10 0 BHAERM [O-]c1cc2ccccc2c(Cl)c1Cl ZINC000032249598 183262988 /nfs/dbraw/zinc/26/29/88/183262988.db2.gz GNMKKECRZGILJA-UHFFFAOYSA-N -1 0 213.063 3.852 10 0 BHAERM O=C([O-])c1cc2ccccc2c2sccc21 ZINC000032255349 345760246 /nfs/dbraw/zinc/76/02/46/345760246.db2.gz NGAGEBDDTWOZKI-UHFFFAOYSA-N -1 0 228.272 3.753 10 0 BHAERM O=C([O-])c1cc2ccccc2c2ccsc21 ZINC000032255401 345760535 /nfs/dbraw/zinc/76/05/35/345760535.db2.gz XJPSYWUKRBZMFD-UHFFFAOYSA-N -1 0 228.272 3.753 10 0 BHAERM O=C([O-])c1cc2cccnc2c(-c2ccccc2)c1 ZINC000032265300 345760518 /nfs/dbraw/zinc/76/05/18/345760518.db2.gz MUAIMTWYTAHDOV-UHFFFAOYSA-N -1 0 249.269 3.600 10 0 BHAERM C[C@H]1CC(C)(C)CC(=O)C1=C([O-])c1ccccc1 ZINC000032601940 177063482 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350460324 /nfs/dbraw/zinc/46/03/24/350460324.db2.gz WQBGNANIJKEOTM-UHFFFAOYSA-N -1 0 244.768 3.603 10 0 BHAERM Cc1ccsc1-c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000033979310 179535036 /nfs/dbraw/zinc/53/50/36/179535036.db2.gz DTOPKPBTCXKNFF-JTQLQIEISA-N -1 0 246.331 3.912 10 0 BHAERM C[C@H](C(=O)[O-])c1ccc2c(c1)C[C@H]1CCCC[C@H]21 ZINC000034064693 345814706 /nfs/dbraw/zinc/81/47/06/345814706.db2.gz HNEPTMLCGOUKJY-SUHUHFCYSA-N -1 0 244.334 3.705 10 0 BHAERM C[C@H](C(=O)[O-])c1ccc2c(c1)C[C@@H]1CCCC[C@H]21 ZINC000034064695 345814858 /nfs/dbraw/zinc/81/48/58/345814858.db2.gz HNEPTMLCGOUKJY-JKOKRWQUSA-N -1 0 244.334 3.705 10 0 BHAERM O=C([O-])C/C=C/c1ccc(-c2ccccc2)cc1 ZINC000034070293 345814621 /nfs/dbraw/zinc/81/46/21/345814621.db2.gz OFBMAASCQMDWRI-SNAWJCMRSA-N -1 0 238.286 3.842 10 0 BHAERM Cc1ccc(/C=C(\C(=O)[O-])c2cccs2)cc1 ZINC000034087186 178352418 /nfs/dbraw/zinc/35/24/18/178352418.db2.gz JLFKQUSHWSKJLM-XFXZXTDPSA-N -1 0 244.315 3.682 10 0 BHAERM CCc1cccc2c(C=O)cc(Cl)c([O-])c12 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QKMFOGAVIQEQNR-SNVBAGLBSA-N -1 0 226.341 3.743 10 0 BHAERM CCC(CC)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000036139727 168399433 /nfs/dbraw/zinc/39/94/33/168399433.db2.gz HQEBNWPFEUDPNG-CYBMUJFWSA-N -1 0 220.312 3.681 10 0 BHAERM O=C([O-])C[C@H](c1ccccc1)C1CCCCC1 ZINC000036139732 383884449 /nfs/dbraw/zinc/88/44/49/383884449.db2.gz DRZUXVFABVDVGG-CQSZACIVSA-N -1 0 232.323 3.825 10 0 BHAERM O=C([O-])C[C@@H](c1ccccc1)C1CCCCC1 ZINC000036139735 182476727 /nfs/dbraw/zinc/47/67/27/182476727.db2.gz DRZUXVFABVDVGG-AWEZNQCLSA-N -1 0 232.323 3.825 10 0 BHAERM CCC(CC)[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000036139746 168399647 /nfs/dbraw/zinc/39/96/47/168399647.db2.gz LGXAPEQXRNHYII-CQSZACIVSA-N -1 0 234.339 3.990 10 0 BHAERM CCC[C@@H](CC(=O)[O-])c1ccc(CC)cc1 ZINC000036139756 169375222 /nfs/dbraw/zinc/37/52/22/169375222.db2.gz RSZGNAJUICELAD-ZDUSSCGKSA-N -1 0 220.312 3.607 10 0 BHAERM CCCCc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000036140280 169021998 /nfs/dbraw/zinc/02/19/98/169021998.db2.gz 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CC(C)Cc1ccc([C@@H](C(=O)[O-])C(C)C)cc1 ZINC000039120408 188290496 /nfs/dbraw/zinc/29/04/96/188290496.db2.gz RLUGDEGUWWOARD-AWEZNQCLSA-N -1 0 234.339 3.709 10 0 BHAERM CCC(C)(C)c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000039120409 168305541 /nfs/dbraw/zinc/30/55/41/168305541.db2.gz JEFYGXDZTPYKDU-SNVBAGLBSA-N -1 0 220.312 3.562 10 0 BHAERM CCC(C)(C)c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000039120410 168305179 /nfs/dbraw/zinc/30/51/79/168305179.db2.gz JEFYGXDZTPYKDU-JTQLQIEISA-N -1 0 220.312 3.562 10 0 BHAERM CCC(C)(CC)c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000039120442 168311255 /nfs/dbraw/zinc/31/12/55/168311255.db2.gz XLLBPUCAXKLRTO-LLVKDONJSA-N -1 0 234.339 3.952 10 0 BHAERM CCC(C)(CC)c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000039120444 168311456 /nfs/dbraw/zinc/31/14/56/168311456.db2.gz XLLBPUCAXKLRTO-NSHDSACASA-N -1 0 234.339 3.952 10 0 BHAERM CCCCCCc1ccc(/C=C/C(=O)[O-])cc1 ZINC000039191317 347184297 /nfs/dbraw/zinc/18/42/97/347184297.db2.gz HIKJBZUXMYBAIL-VAWYXSNFSA-N -1 0 232.323 3.907 10 0 BHAERM O=C([O-])c1ccccc1Sc1cccs1 ZINC000039201022 188291140 /nfs/dbraw/zinc/29/11/40/188291140.db2.gz TWDJOZONGRAIMF-UHFFFAOYSA-N -1 0 236.317 3.598 10 0 BHAERM Cc1ccc(Sc2ccccc2C(=O)[O-])cc1 ZINC000039212350 387488230 /nfs/dbraw/zinc/48/82/30/387488230.db2.gz MCORLFKRJJNYRD-UHFFFAOYSA-N -1 0 244.315 3.844 10 0 BHAERM O=C([O-])c1cc(Cl)ccc1Nc1ccccc1 ZINC000039215509 182554683 /nfs/dbraw/zinc/55/46/83/182554683.db2.gz HIZVPPCGPLZRLB-UHFFFAOYSA-N -1 0 247.681 3.782 10 0 BHAERM Cc1cccc(/C=C/c2ccccc2C(=O)[O-])c1 ZINC000039220546 343387438 /nfs/dbraw/zinc/38/74/38/343387438.db2.gz BJJYDCMOGPBBOM-MDZDMXLPSA-N -1 0 238.286 3.864 10 0 BHAERM CCCC[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000039234490 372912022 /nfs/dbraw/zinc/91/20/22/372912022.db2.gz VQIQUCJVRAPBMO-ZDUSSCGKSA-N -1 0 220.312 3.510 10 0 BHAERM CCCC[C@H](CCc1ccccc1)C(=O)[O-] ZINC000039234491 169002426 /nfs/dbraw/zinc/00/24/26/169002426.db2.gz VQIQUCJVRAPBMO-CYBMUJFWSA-N -1 0 220.312 3.510 10 0 BHAERM [O-]c1cc(Cl)c2ccccc2c1Cl ZINC000039249380 183258632 /nfs/dbraw/zinc/25/86/32/183258632.db2.gz QAYITGAHWYCLIB-UHFFFAOYSA-N -1 0 213.063 3.852 10 0 BHAERM CC(C)(C)c1ccc([C@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000039280554 188474130 /nfs/dbraw/zinc/47/41/30/188474130.db2.gz YTQJKYFEUDYLDT-QWHCGFSZSA-N -1 0 246.350 3.808 10 0 BHAERM CC(C)c1ccc([C@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000039280562 167620728 /nfs/dbraw/zinc/62/07/28/167620728.db2.gz VQDHNROTZDNWGC-QWHCGFSZSA-N -1 0 232.323 3.634 10 0 BHAERM CCCCCNc1c(Cl)cccc1C(=O)[O-] ZINC000039288157 372932624 /nfs/dbraw/zinc/93/26/24/372932624.db2.gz JAJALGWXOYLESN-UHFFFAOYSA-N -1 0 241.718 3.640 10 0 BHAERM CC(=O)c1ccc(-c2ccc([S-])cc2)cc1 ZINC000039316807 347189107 /nfs/dbraw/zinc/18/91/07/347189107.db2.gz IMJYUJGLSXCVCL-UHFFFAOYSA-N -1 0 228.316 3.845 10 0 BHAERM O=C([O-])c1cccc2sc3ccccc3c21 ZINC000039402254 343125284 /nfs/dbraw/zinc/12/52/84/343125284.db2.gz CLDJTTWVDVIKKN-UHFFFAOYSA-N -1 0 228.272 3.753 10 0 BHAERM [O-]c1cc2ccsc2c(Cl)c1Cl ZINC000039474572 183262349 /nfs/dbraw/zinc/26/23/49/183262349.db2.gz MOJFZUXYGKYYSQ-UHFFFAOYSA-N -1 0 219.092 3.914 10 0 BHAERM O=C([O-])c1nc(-c2ccccc2)cc2ccccc21 ZINC000039613010 368330167 /nfs/dbraw/zinc/33/01/67/368330167.db2.gz OBIWFVGKXKGAEW-UHFFFAOYSA-N -1 0 249.269 3.600 10 0 BHAERM [O-]c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000039617918 343390892 /nfs/dbraw/zinc/39/08/92/343390892.db2.gz ILWGCRQDVDJDIT-UHFFFAOYSA-N -1 0 231.000 3.718 10 0 BHAERM CCc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000040169467 351382149 /nfs/dbraw/zinc/38/21/49/351382149.db2.gz ZJKUAADMUJFIMK-CSKARUKUSA-N -1 0 242.274 3.607 10 0 BHAERM Cc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1C ZINC000040169470 178323056 /nfs/dbraw/zinc/32/30/56/178323056.db2.gz VDXHNMKGJSNMSX-SOFGYWHQSA-N -1 0 242.274 3.661 10 0 BHAERM CC(C)[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000040377916 188291645 /nfs/dbraw/zinc/29/16/45/188291645.db2.gz BAEHRPRNJQRPQH-AWEZNQCLSA-N -1 0 248.366 3.883 10 0 BHAERM CC(C)c1ccc(C[C@H](C(=O)[O-])C(C)C)cc1 ZINC000040377945 167600801 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/nfs/dbraw/zinc/26/06/22/179260622.db2.gz FJFQHMWIZGFQHN-UHFFFAOYSA-N -1 0 232.323 3.573 10 0 BHAERM Cc1cccc(CC2(C(=O)[O-])CCCCC2)c1 ZINC000041259037 179052364 /nfs/dbraw/zinc/05/23/64/179052364.db2.gz GUSVKPMHALMSRT-UHFFFAOYSA-N -1 0 232.323 3.573 10 0 BHAERM CCCCc1ccc([C@H](C(=O)[O-])C2CC2)cc1 ZINC000041259148 169023449 /nfs/dbraw/zinc/02/34/49/169023449.db2.gz XUFSVHNVPVRZNB-AWEZNQCLSA-N -1 0 232.323 3.607 10 0 BHAERM CCCCc1ccc([C@@H](C(=O)[O-])C2CC2)cc1 ZINC000041259150 169021768 /nfs/dbraw/zinc/02/17/68/169021768.db2.gz XUFSVHNVPVRZNB-CQSZACIVSA-N -1 0 232.323 3.607 10 0 BHAERM Cc1cc(C)cc([C@H](C(=O)[O-])C2CCCC2)c1 ZINC000041259219 177916981 /nfs/dbraw/zinc/91/69/81/177916981.db2.gz FNQMECJFLVQWTL-CQSZACIVSA-N -1 0 232.323 3.662 10 0 BHAERM Cc1ccccc1CCC[C@H](C(=O)[O-])C(C)C ZINC000041263254 179264324 /nfs/dbraw/zinc/26/43/24/179264324.db2.gz JIVUTPHTCLIFRP-AWEZNQCLSA-N -1 0 234.339 3.675 10 0 BHAERM Cc1ccccc1CCC[C@@H](C(=O)[O-])C(C)C ZINC000041263257 179264359 /nfs/dbraw/zinc/26/43/59/179264359.db2.gz JIVUTPHTCLIFRP-CQSZACIVSA-N -1 0 234.339 3.675 10 0 BHAERM Cc1cccc(CCC[C@H](C(=O)[O-])C(C)C)c1 ZINC000041263260 179055976 /nfs/dbraw/zinc/05/59/76/179055976.db2.gz ISYCRDZBKZWJPJ-AWEZNQCLSA-N -1 0 234.339 3.675 10 0 BHAERM Cc1cccc(CCC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000041263263 179056296 /nfs/dbraw/zinc/05/62/96/179056296.db2.gz ISYCRDZBKZWJPJ-CQSZACIVSA-N -1 0 234.339 3.675 10 0 BHAERM CC(C)c1ccc(CCC[C@H](C)C(=O)[O-])cc1 ZINC000041263286 167594680 /nfs/dbraw/zinc/59/46/80/167594680.db2.gz GVFASMZJGDRTLN-LBPRGKRZSA-N -1 0 234.339 3.853 10 0 BHAERM C[C@@H](CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000041263320 175685024 /nfs/dbraw/zinc/68/50/24/175685024.db2.gz AYUHYZPMTIFCMH-NSHDSACASA-N -1 0 234.339 3.637 10 0 BHAERM CCc1ccc(C[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000041263329 171815043 /nfs/dbraw/zinc/81/50/43/171815043.db2.gz VBYZBXXOSPFHEU-AWEZNQCLSA-N -1 0 234.339 3.538 10 0 BHAERM C[C@H](CC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000041263373 176601439 /nfs/dbraw/zinc/60/14/39/176601439.db2.gz BUVAYZLHSABLTO-NSHDSACASA-N -1 0 234.339 3.637 10 0 BHAERM C[C@@H](CC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000041263376 538975180 /nfs/dbraw/zinc/97/51/80/538975180.db2.gz BUVAYZLHSABLTO-LLVKDONJSA-N -1 0 234.339 3.637 10 0 BHAERM Cc1ccc(C)c(C[C@H](CC(C)C)C(=O)[O-])c1 ZINC000041263405 178476736 /nfs/dbraw/zinc/47/67/36/178476736.db2.gz GGRMDGUEUMGGKK-AWEZNQCLSA-N -1 0 234.339 3.593 10 0 BHAERM CCCCc1ccc(C(C)(C)CC(=O)[O-])cc1 ZINC000041263587 169020107 /nfs/dbraw/zinc/02/01/07/169020107.db2.gz KMZMTCSPWIPSJQ-UHFFFAOYSA-N -1 0 234.339 3.782 10 0 BHAERM CCCCc1ccc([C@H](C(=O)[O-])C(C)C)cc1 ZINC000041263589 169023543 /nfs/dbraw/zinc/02/35/43/169023543.db2.gz JTRGLNYSZXBBOG-CQSZACIVSA-N -1 0 234.339 3.853 10 0 BHAERM CCCCc1ccc([C@@H](C(=O)[O-])C(C)C)cc1 ZINC000041263592 169022005 /nfs/dbraw/zinc/02/20/05/169022005.db2.gz JTRGLNYSZXBBOG-AWEZNQCLSA-N -1 0 234.339 3.853 10 0 BHAERM CCC[C@@H](C(=O)[O-])c1ccc(CC(C)C)cc1 ZINC000041263609 169346680 /nfs/dbraw/zinc/34/66/80/169346680.db2.gz ALYDWXMULILEEN-CQSZACIVSA-N -1 0 234.339 3.853 10 0 BHAERM CC(C)Cc1ccc(C(C)(C)CC(=O)[O-])cc1 ZINC000041263612 187265082 /nfs/dbraw/zinc/26/50/82/187265082.db2.gz DFOIAVSIOMSJHE-UHFFFAOYSA-N -1 0 234.339 3.637 10 0 BHAERM CCCc1ccc([C@H](CC(C)C)C(=O)[O-])cc1 ZINC000041263638 169575746 /nfs/dbraw/zinc/57/57/46/169575746.db2.gz JHRBOUSCOJGKBD-AWEZNQCLSA-N -1 0 234.339 3.853 10 0 BHAERM CC[C@@H](C)c1ccc(C(C)(C)CC(=O)[O-])cc1 ZINC000041263675 170803620 /nfs/dbraw/zinc/80/36/20/170803620.db2.gz RWGFFSKDVLBIKH-LLVKDONJSA-N -1 0 234.339 3.952 10 0 BHAERM Cc1cc(C)c(C)c(C(C)(C)CC(=O)[O-])c1C ZINC000041263798 177852397 /nfs/dbraw/zinc/85/23/97/177852397.db2.gz DWHLEQFJVORSFU-UHFFFAOYSA-N -1 0 234.339 3.673 10 0 BHAERM CC(C)C[C@@H](CCCc1ccccc1)C(=O)[O-] ZINC000041263911 188293150 /nfs/dbraw/zinc/29/31/50/188293150.db2.gz ALIKRVDFYQZQAI-CQSZACIVSA-N -1 0 234.339 3.756 10 0 BHAERM CC(C)[C@@H](CCCc1ccccc1F)C(=O)[O-] ZINC000041280303 167390148 /nfs/dbraw/zinc/39/01/48/167390148.db2.gz IUAYJRUVNXKVFP-GFCCVEGCSA-N -1 0 238.302 3.505 10 0 BHAERM CC(C)[C@@H](CCCc1ccc(F)cc1)C(=O)[O-] ZINC000041280307 167389525 /nfs/dbraw/zinc/38/95/25/167389525.db2.gz MUTPSWPJQOASAI-CYBMUJFWSA-N -1 0 238.302 3.505 10 0 BHAERM CC/C(=C\C(=O)[O-])c1ccccc1C(F)(F)F ZINC000041289991 385798869 /nfs/dbraw/zinc/79/88/69/385798869.db2.gz QKMFQFNFEFDGHK-BQYQJAHWSA-N -1 0 244.212 3.583 10 0 BHAERM CC/C(=C\C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000041290002 388433688 /nfs/dbraw/zinc/43/36/88/388433688.db2.gz QGABTTOMZSKPJY-BQYQJAHWSA-N -1 0 244.212 3.583 10 0 BHAERM CC/C(=C\C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000041290013 388433213 /nfs/dbraw/zinc/43/32/13/388433213.db2.gz RRSJXMBLTGUOCP-BQYQJAHWSA-N -1 0 244.212 3.583 10 0 BHAERM CC(C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000041296924 187265192 /nfs/dbraw/zinc/26/51/92/187265192.db2.gz ATBLQNFTFIHULG-JTQLQIEISA-N -1 0 246.228 3.530 10 0 BHAERM CC(C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000041296926 167346401 /nfs/dbraw/zinc/34/64/01/167346401.db2.gz ATBLQNFTFIHULG-SNVBAGLBSA-N -1 0 246.228 3.530 10 0 BHAERM CCC[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000041296927 388435020 /nfs/dbraw/zinc/43/50/20/388435020.db2.gz HHAXMRHIJZLQMK-VIFPVBQESA-N -1 0 246.228 3.674 10 0 BHAERM CCC[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000041296929 169346504 /nfs/dbraw/zinc/34/65/04/169346504.db2.gz HHAXMRHIJZLQMK-SECBINFHSA-N -1 0 246.228 3.674 10 0 BHAERM CC(C)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000041296933 358282769 /nfs/dbraw/zinc/28/27/69/358282769.db2.gz URIHGOBUQRXIHX-JTQLQIEISA-N -1 0 246.228 3.530 10 0 BHAERM CC(C)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000041296934 167347074 /nfs/dbraw/zinc/34/70/74/167347074.db2.gz URIHGOBUQRXIHX-SNVBAGLBSA-N -1 0 246.228 3.530 10 0 BHAERM CCC[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000041296936 388435302 /nfs/dbraw/zinc/43/53/02/388435302.db2.gz AWNVFSSPEXEMAB-JTQLQIEISA-N -1 0 246.228 3.674 10 0 BHAERM CCC[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000041296938 169346603 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Cc1ccc(-c2ccc(F)c(C)c2)c(C(=O)[O-])c1 ZINC000065350102 178324585 /nfs/dbraw/zinc/32/45/85/178324585.db2.gz DUAZEZNNPOGNPZ-UHFFFAOYSA-N -1 0 244.265 3.808 10 0 BHAERM Cc1ccc(F)cc1-c1cccc(C(=O)[O-])c1C ZINC000065350122 178681439 /nfs/dbraw/zinc/68/14/39/178681439.db2.gz CIEFFTIQYIUNKF-UHFFFAOYSA-N -1 0 244.265 3.808 10 0 BHAERM Cc1ccc(-c2cc(F)ccc2C)c(C(=O)[O-])c1 ZINC000065350123 178322283 /nfs/dbraw/zinc/32/22/83/178322283.db2.gz ZYRSFRFEZDEVSQ-UHFFFAOYSA-N -1 0 244.265 3.808 10 0 BHAERM Cc1c(C(=O)[O-])cccc1-c1ccc(F)cc1F ZINC000065350354 177571439 /nfs/dbraw/zinc/57/14/39/177571439.db2.gz VROLAAFPVYSMIB-UHFFFAOYSA-N -1 0 248.228 3.638 10 0 BHAERM Cc1cccc(-c2cc(F)cc(F)c2)c1C(=O)[O-] ZINC000065350387 178991722 /nfs/dbraw/zinc/99/17/22/178991722.db2.gz ZTDNKOQJWZANJM-UHFFFAOYSA-N -1 0 248.228 3.638 10 0 BHAERM Cc1cc(C(=O)[O-])ccc1-c1cccc(F)c1F ZINC000065350406 177824282 /nfs/dbraw/zinc/82/42/82/177824282.db2.gz RYAWAUKVYVQKQC-UHFFFAOYSA-N -1 0 248.228 3.638 10 0 BHAERM Cc1c(C(=O)[O-])cccc1-c1cccc(F)c1F ZINC000065350407 177571385 /nfs/dbraw/zinc/57/13/85/177571385.db2.gz WZEHVAYBOBVFSZ-UHFFFAOYSA-N -1 0 248.228 3.638 10 0 BHAERM Cc1ccc(-c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000065350408 178326973 /nfs/dbraw/zinc/32/69/73/178326973.db2.gz AVWMRMGXEAKFBL-UHFFFAOYSA-N -1 0 248.228 3.638 10 0 BHAERM Cc1ccc(-c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000065350436 178317299 /nfs/dbraw/zinc/31/72/99/178317299.db2.gz UFTBBWAIBIAMDE-UHFFFAOYSA-N -1 0 248.228 3.638 10 0 BHAERM Cc1ccc(-c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000065350464 178322145 /nfs/dbraw/zinc/32/21/45/178322145.db2.gz YHBDYTGCAXFOBA-UHFFFAOYSA-N -1 0 248.228 3.638 10 0 BHAERM O=C([O-])c1ccc(OCCC2CCCCC2)cc1 ZINC000066056679 383845237 /nfs/dbraw/zinc/84/52/37/383845237.db2.gz CUMXXDGDIGENML-UHFFFAOYSA-N -1 0 248.322 3.734 10 0 BHAERM Cc1ccc(/C=C(/C(=O)[O-])c2ccccc2)s1 ZINC000066066364 178352153 /nfs/dbraw/zinc/35/21/53/178352153.db2.gz CYKGSBKNTDYUQL-UKTHLTGXSA-N -1 0 244.315 3.682 10 0 BHAERM O=C([O-])c1cccc(Nc2ccc(Cl)cc2)c1 ZINC000066078766 385839187 /nfs/dbraw/zinc/83/91/87/385839187.db2.gz UPJCPFBYPSSQEM-UHFFFAOYSA-N -1 0 247.681 3.782 10 0 BHAERM O=C([O-])Cc1ccc(-c2ccccc2)cc1Cl ZINC000066348745 383861074 /nfs/dbraw/zinc/86/10/74/383861074.db2.gz AAMWFJUMCNIECU-UHFFFAOYSA-N -1 0 246.693 3.634 10 0 BHAERM CC(C)c1ccc(C2(C(=O)[O-])CC(C)C2)cc1 ZINC000070527852 168138843 /nfs/dbraw/zinc/13/88/43/168138843.db2.gz SUAKHCJRJOPXQU-UHFFFAOYSA-N -1 0 232.323 3.562 10 0 BHAERM CC1CC(C(=O)[O-])(c2ccc(C(C)(C)C)cc2)C1 ZINC000070527854 168138542 /nfs/dbraw/zinc/13/85/42/168138542.db2.gz RIONWYFTHCDNJB-UHFFFAOYSA-N -1 0 246.350 3.736 10 0 BHAERM O=C([O-])CCCCCSc1ccccc1F ZINC000070652343 361697591 /nfs/dbraw/zinc/69/75/91/361697591.db2.gz KNVALWMOBWZRGW-UHFFFAOYSA-N -1 0 242.315 3.563 10 0 BHAERM O=C([O-])CCCCCSc1ccc(F)cc1 ZINC000070652345 361697442 /nfs/dbraw/zinc/69/74/42/361697442.db2.gz IMKWXJLOBKIPRC-UHFFFAOYSA-N -1 0 242.315 3.563 10 0 BHAERM Cc1ccccc1SCCCCCC(=O)[O-] ZINC000070652348 345794909 /nfs/dbraw/zinc/79/49/09/345794909.db2.gz HPKYMJZDQKPYNB-UHFFFAOYSA-N -1 0 238.352 3.732 10 0 BHAERM Cc1cccc(SCCCCCC(=O)[O-])c1 ZINC000070652354 361697781 /nfs/dbraw/zinc/69/77/81/361697781.db2.gz DJPKNLDZEFAZGD-UHFFFAOYSA-N -1 0 238.352 3.732 10 0 BHAERM O=C([O-])c1cc(-c2ccccc2)cc2cc[nH]c21 ZINC000071315932 398101509 /nfs/dbraw/zinc/10/15/09/398101509.db2.gz BACODVKOMBXPLL-UHFFFAOYSA-N -1 0 237.258 3.533 10 0 BHAERM CC(C)C(=O)C=C([O-])c1cccc2ccccc21 ZINC000071398188 188305634 /nfs/dbraw/zinc/30/56/34/188305634.db2.gz ONSUGJZQVPTJMB-UHFFFAOYSA-N -1 0 240.302 3.638 10 0 BHAERM C/C(=C\C(=O)[O-])c1c[nH]c2c1cccc2C(C)C ZINC000071487464 188305787 /nfs/dbraw/zinc/30/57/87/188305787.db2.gz FOCXLYVNTOYPQH-JXMROGBWSA-N -1 0 243.306 3.779 10 0 BHAERM Cc1cccc2c(/C(=C/C(=O)[O-])C(C)C)c[nH]c21 ZINC000071487499 179207599 /nfs/dbraw/zinc/20/75/99/179207599.db2.gz NAJGEOLKBABSJC-KPKJPENVSA-N -1 0 243.306 3.600 10 0 BHAERM CCCCc1ccc(/C=C/CC(=O)[O-])cc1 ZINC000071520591 169019443 /nfs/dbraw/zinc/01/94/43/169019443.db2.gz ZEUIGOTZRNXMKI-GQCTYLIASA-N -1 0 218.296 3.517 10 0 BHAERM CC(C)[C@@H](CCCC(=O)[O-])c1ccccc1 ZINC000071522474 167389248 /nfs/dbraw/zinc/38/92/48/167389248.db2.gz SFUQAOAJZAFYOO-CYBMUJFWSA-N -1 0 220.312 3.681 10 0 BHAERM C[C@H](CCCCC(=O)[O-])c1ccc(F)cc1 ZINC000071531640 176618150 /nfs/dbraw/zinc/61/81/50/176618150.db2.gz RJQJPQXHMFFFOV-SNVBAGLBSA-N -1 0 224.275 3.574 10 0 BHAERM CC(C)[C@@H](CCCC(=O)[O-])c1cccs1 ZINC000071532940 167389652 /nfs/dbraw/zinc/38/96/52/167389652.db2.gz QCDWBVRTHBJVJV-SNVBAGLBSA-N -1 0 226.341 3.743 10 0 BHAERM CCCCc1ccc(CC(C)(C)C(=O)[O-])cc1 ZINC000071544380 169021141 /nfs/dbraw/zinc/02/11/41/169021141.db2.gz QECJNHRIEJJATG-UHFFFAOYSA-N -1 0 234.339 3.683 10 0 BHAERM CCCc1ccc([C@@H](C)CCCC(=O)[O-])cc1 ZINC000071544384 169573979 /nfs/dbraw/zinc/57/39/79/169573979.db2.gz UQVCZOHVCSAVCP-LBPRGKRZSA-N -1 0 234.339 3.998 10 0 BHAERM CC(C)[C@@H](CCCC(=O)[O-])c1ccc(F)cc1 ZINC000071548780 167389786 /nfs/dbraw/zinc/38/97/86/167389786.db2.gz BSMGDOISLBBNGR-CYBMUJFWSA-N -1 0 238.302 3.820 10 0 BHAERM Cc1cc([C@@H](C)CCCCC(=O)[O-])ccc1F ZINC000071548784 178220922 /nfs/dbraw/zinc/22/09/22/178220922.db2.gz QMISMXZTXYRKSR-JTQLQIEISA-N -1 0 238.302 3.883 10 0 BHAERM Cc1cc([C@H](C)CCCCC(=O)[O-])ccc1F ZINC000071548785 178244572 /nfs/dbraw/zinc/24/45/72/178244572.db2.gz QMISMXZTXYRKSR-SNVBAGLBSA-N -1 0 238.302 3.883 10 0 BHAERM Cc1cc(C(=O)[O-])c(C)n1CCC1=CCCCC1 ZINC000071561791 177822553 /nfs/dbraw/zinc/82/25/53/177822553.db2.gz CHNRAUXHVOOVCF-UHFFFAOYSA-N -1 0 247.338 3.694 10 0 BHAERM COc1ccc(/C(=C/CCC(=O)[O-])C(C)C)cc1 ZINC000071562936 175046013 /nfs/dbraw/zinc/04/60/13/175046013.db2.gz DPTXYVUHWIRRGF-LHHJGKSTSA-N -1 0 248.322 3.599 10 0 BHAERM COc1ccc(/C(C)=C/CCCC(=O)[O-])cc1C ZINC000071562938 175045681 /nfs/dbraw/zinc/04/56/81/175045681.db2.gz HOJAKVSRPJUHAK-IZZDOVSWSA-N -1 0 248.322 3.662 10 0 BHAERM COc1ccc(C)cc1/C(C)=C/CCCC(=O)[O-] ZINC000071562941 175072808 /nfs/dbraw/zinc/07/28/08/175072808.db2.gz YVEXNBFYMOOMQB-WUXMJOGZSA-N -1 0 248.322 3.662 10 0 BHAERM COc1ccccc1/C(=C/CCC(=O)[O-])C(C)C ZINC000071562944 175313807 /nfs/dbraw/zinc/31/38/07/175313807.db2.gz PEKDYVHYNPZQHG-XYOKQWHBSA-N -1 0 248.322 3.599 10 0 BHAERM COc1cccc(/C(=C/CCC(=O)[O-])C(C)C)c1 ZINC000071562946 175239458 /nfs/dbraw/zinc/23/94/58/175239458.db2.gz OZBLNBRYSNTLIO-RIYZIHGNSA-N -1 0 248.322 3.599 10 0 BHAERM COc1cc(C)c(C)cc1/C=C/CCCC(=O)[O-] ZINC000071562954 174954899 /nfs/dbraw/zinc/95/48/99/174954899.db2.gz LUTWWNJJPCHDCL-FNORWQNLSA-N -1 0 248.322 3.580 10 0 BHAERM CCCOc1ccc(/C(=C/C(=O)[O-])C(C)C)cc1 ZINC000071562960 169316453 /nfs/dbraw/zinc/31/64/53/169316453.db2.gz GETGTTDGLSKRNO-GXDHUFHOSA-N -1 0 248.322 3.599 10 0 BHAERM COc1ccc(/C=C/CCCC(=O)[O-])c(C)c1C ZINC000071562998 175047020 /nfs/dbraw/zinc/04/70/20/175047020.db2.gz DZIQBFOOZOBFMS-FNORWQNLSA-N -1 0 248.322 3.580 10 0 BHAERM CC[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000071621647 171238454 /nfs/dbraw/zinc/23/84/54/171238454.db2.gz GKCKCMYMXYMOPA-ZETCQYMHSA-N -1 0 233.094 3.572 10 0 BHAERM CC[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000071621649 384172882 /nfs/dbraw/zinc/17/28/82/384172882.db2.gz GKCKCMYMXYMOPA-SSDOTTSWSA-N -1 0 233.094 3.572 10 0 BHAERM CC(C)(C)c1ccc(C(=O)[O-])c2ccccc21 ZINC000072194384 384200327 /nfs/dbraw/zinc/20/03/27/384200327.db2.gz XXEZOHWKOJLMNG-UHFFFAOYSA-N -1 0 228.291 3.836 10 0 BHAERM [S-]c1cccc2c(Br)cccc12 ZINC000072227009 526389237 /nfs/dbraw/zinc/38/92/37/526389237.db2.gz JDUYIQXKSCJQOR-UHFFFAOYSA-N -1 0 239.137 3.891 10 0 BHAERM Cc1ccc(-c2ccc(C(=O)[O-])cc2F)s1 ZINC000073141957 178323418 /nfs/dbraw/zinc/32/34/18/178323418.db2.gz ARRRTAPJLSNRPV-UHFFFAOYSA-N -1 0 236.267 3.561 10 0 BHAERM CC(C)(C)COc1cc(C(=O)[O-])cc2occc21 ZINC000073739384 188114680 /nfs/dbraw/zinc/11/46/80/188114680.db2.gz YUANBKFNRPZPRM-UHFFFAOYSA-N -1 0 248.278 3.556 10 0 BHAERM CC[C@H](C(=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000075073709 632031322 /nfs/dbraw/zinc/03/13/22/632031322.db2.gz BMGCCIDTLLIKMJ-VIFPVBQESA-N -1 0 238.670 3.664 10 0 BHAERM CC[C@@H](C(=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000075073710 643338489 /nfs/dbraw/zinc/33/84/89/643338489.db2.gz BMGCCIDTLLIKMJ-SECBINFHSA-N -1 0 238.670 3.664 10 0 BHAERM CC(C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000075437985 188289410 /nfs/dbraw/zinc/28/94/10/188289410.db2.gz DZMMRXPQVIHGFZ-UHFFFAOYSA-N -1 0 234.320 3.798 10 0 BHAERM CCCSc1ccc(Cl)c(C(=O)[O-])c1 ZINC000075442265 169341538 /nfs/dbraw/zinc/34/15/38/169341538.db2.gz OILZDSXXYYMLQY-UHFFFAOYSA-N -1 0 230.716 3.540 10 0 BHAERM CCCCSc1ccc(Cl)c(C(=O)[O-])c1 ZINC000075442268 168934174 /nfs/dbraw/zinc/93/41/74/168934174.db2.gz AWNDAIGBQDXGHP-UHFFFAOYSA-N -1 0 244.743 3.930 10 0 BHAERM CC(C)Sc1ccc(Cl)c(C(=O)[O-])c1 ZINC000075442303 167337016 /nfs/dbraw/zinc/33/70/16/167337016.db2.gz RHXJJBZKWOZHOR-UHFFFAOYSA-N -1 0 230.716 3.539 10 0 BHAERM CC(C)CSc1ccc(Cl)c(C(=O)[O-])c1 ZINC000075442316 187262386 /nfs/dbraw/zinc/26/23/86/187262386.db2.gz LSRIQENRJWCFAF-UHFFFAOYSA-N -1 0 244.743 3.786 10 0 BHAERM CC1(C)[C@H](C(=O)[O-])[C@H]1c1cccc2ccccc21 ZINC000075491179 168004832 /nfs/dbraw/zinc/00/48/32/168004832.db2.gz JQXHKIHAQWRJAD-KGLIPLIRSA-N -1 0 240.302 3.664 10 0 BHAERM CC1(C)[C@H](C(=O)[O-])[C@@H]1c1cccc2ccccc21 ZINC000075491181 168002541 /nfs/dbraw/zinc/00/25/41/168002541.db2.gz JQXHKIHAQWRJAD-KBPBESRZSA-N -1 0 240.302 3.664 10 0 BHAERM O=C([O-])c1ccc2nc(C3CCCC3)sc2c1 ZINC000075840739 182573678 /nfs/dbraw/zinc/57/36/78/182573678.db2.gz YSWAPXWUBULDLB-UHFFFAOYSA-N -1 0 247.319 3.652 10 0 BHAERM C[C@@H](c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000075841918 176024168 /nfs/dbraw/zinc/02/41/68/176024168.db2.gz CQJXYXFPQKULPF-NSHDSACASA-N -1 0 226.275 3.537 10 0 BHAERM C[C@H](c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000075841920 177040979 /nfs/dbraw/zinc/04/09/79/177040979.db2.gz CQJXYXFPQKULPF-LLVKDONJSA-N -1 0 226.275 3.537 10 0 BHAERM Cc1cc(C(=O)c2ccccc2)c([O-])cc1Cl ZINC000075870645 388575799 /nfs/dbraw/zinc/57/57/99/388575799.db2.gz RFBSJNVWPCGXTP-UHFFFAOYSA-N -1 0 246.693 3.585 10 0 BHAERM Cc1ccccc1[C@@H](CC(=O)[O-])c1ccccc1 ZINC000075872815 179323466 /nfs/dbraw/zinc/32/34/66/179323466.db2.gz JVALOLYRDZDXCP-HNNXBMFYSA-N -1 0 240.302 3.602 10 0 BHAERM Cc1ccccc1[C@H](CC(=O)[O-])c1ccccc1 ZINC000075872816 179340927 /nfs/dbraw/zinc/34/09/27/179340927.db2.gz JVALOLYRDZDXCP-OAHLLOKOSA-N -1 0 240.302 3.602 10 0 BHAERM O=C([O-])c1c(-c2ccccc2)coc1CC1CC1 ZINC000075923508 537932415 /nfs/dbraw/zinc/93/24/15/537932415.db2.gz URAKGIYPYDKOKE-UHFFFAOYSA-N -1 0 242.274 3.597 10 0 BHAERM CCSc1ccc([C@H](CC)CC(=O)[O-])cc1 ZINC000076620745 170655303 /nfs/dbraw/zinc/65/53/03/170655303.db2.gz RWZMMFUMTICLSV-SNVBAGLBSA-N -1 0 238.352 3.767 10 0 BHAERM CC(C)c1oc(-c2ccccc2)cc1C(=O)[O-] ZINC000077078595 566283405 /nfs/dbraw/zinc/28/34/05/566283405.db2.gz BYTVITSWISDYRC-UHFFFAOYSA-N -1 0 230.263 3.768 10 0 BHAERM CC(C)c1oc(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000077078835 566283663 /nfs/dbraw/zinc/28/36/63/566283663.db2.gz PNUMOFWSUFDVNK-UHFFFAOYSA-N -1 0 248.253 3.907 10 0 BHAERM CCCc1oc(-c2ccccc2)cc1C(=O)[O-] ZINC000077080664 566283314 /nfs/dbraw/zinc/28/33/14/566283314.db2.gz DQDYASMOSVATIW-UHFFFAOYSA-N -1 0 230.263 3.597 10 0 BHAERM CCCc1oc(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000077080904 566283383 /nfs/dbraw/zinc/28/33/83/566283383.db2.gz VVOQUYNBKVNPDR-UHFFFAOYSA-N -1 0 248.253 3.736 10 0 BHAERM O=C([O-])c1cc(-c2ccccc2)oc1C1CC1 ZINC000077082742 566283830 /nfs/dbraw/zinc/28/38/30/566283830.db2.gz SNMZORRYOXFJPV-UHFFFAOYSA-N -1 0 228.247 3.522 10 0 BHAERM O=C([O-])c1cc(-c2ccc(F)cc2)oc1C1CC1 ZINC000077082998 566283790 /nfs/dbraw/zinc/28/37/90/566283790.db2.gz QDBNAUPYSJKYDL-UHFFFAOYSA-N -1 0 246.237 3.661 10 0 BHAERM CC(C)(C)c1cc(C(=O)[O-])c(C(C)(C)C)o1 ZINC000077084535 566283427 /nfs/dbraw/zinc/28/34/27/566283427.db2.gz VODIIRORSVTQEB-UHFFFAOYSA-N -1 0 224.300 3.573 10 0 BHAERM CC(C)(C)c1oc(-c2ccccc2)cc1C(=O)[O-] ZINC000077084625 566283353 /nfs/dbraw/zinc/28/33/53/566283353.db2.gz BTIVADLILVWUOZ-UHFFFAOYSA-N -1 0 244.290 3.942 10 0 BHAERM CC(C)CCc1nc(C(C)C)c(C(=O)[O-])s1 ZINC000077388823 166916679 /nfs/dbraw/zinc/91/66/79/166916679.db2.gz MAKVVDPDVAAHAC-UHFFFAOYSA-N -1 0 241.356 3.553 10 0 BHAERM CCCCCc1nc(C(C)C)c(C(=O)[O-])s1 ZINC000077388831 168749159 /nfs/dbraw/zinc/74/91/59/168749159.db2.gz OFGVVBMCJRBAGY-UHFFFAOYSA-N -1 0 241.356 3.697 10 0 BHAERM CC(C)Cc1ccc(-c2cc[nH]c2C(=O)[O-])cc1 ZINC000077392998 188311890 /nfs/dbraw/zinc/31/18/90/188311890.db2.gz DSRSPWWAGGLVOC-UHFFFAOYSA-N -1 0 243.306 3.578 10 0 BHAERM Cc1ccccc1C1(C(=O)[O-])CC2(C1)CCCC2 ZINC000077396459 179255448 /nfs/dbraw/zinc/25/54/48/179255448.db2.gz JCGOKDRDJWSEIQ-UHFFFAOYSA-N -1 0 244.334 3.672 10 0 BHAERM Cc1cccc(C2(C(=O)[O-])CC3(C2)CCCC3)c1 ZINC000077396461 179050608 /nfs/dbraw/zinc/05/06/08/179050608.db2.gz ZAVFCFAFBXWBHG-UHFFFAOYSA-N -1 0 244.334 3.672 10 0 BHAERM Cc1ccc(-c2cc(C(=O)[O-])cs2)cc1C ZINC000077599463 178318924 /nfs/dbraw/zinc/31/89/24/178318924.db2.gz SIEACQHPCSWICD-UHFFFAOYSA-N -1 0 232.304 3.730 10 0 BHAERM CCOc1ccc(-c2cc(C(=O)[O-])cs2)cc1 ZINC000077599501 170531489 /nfs/dbraw/zinc/53/14/89/170531489.db2.gz AZQYGZGVYLGESL-UHFFFAOYSA-N -1 0 248.303 3.512 10 0 BHAERM O=C([O-])/C=C/Cc1ccc(-c2ccccc2)cc1 ZINC000078221650 368321019 /nfs/dbraw/zinc/32/10/19/368321019.db2.gz YYSGVSICDOGIRF-XBXARRHUSA-N -1 0 238.286 3.537 10 0 BHAERM CC(C)(C)C1CCC(CCC(=O)[O-])CC1 ZINC000080197871 644237345 /nfs/dbraw/zinc/23/73/45/644237345.db2.gz JVPHBCVSKQHFTQ-UHFFFAOYSA-N -1 0 212.333 3.704 10 0 BHAERM CCCCC1CCC(CCC(=O)[O-])CC1 ZINC000080309775 633085274 /nfs/dbraw/zinc/08/52/74/633085274.db2.gz ZQKDGCJLUKMEPE-UHFFFAOYSA-N -1 0 212.333 3.848 10 0 BHAERM O=[N+]([O-])c1ccccc1-c1cc(Cl)ccc1[O-] ZINC000081200109 368581378 /nfs/dbraw/zinc/58/13/78/368581378.db2.gz ZDNCMILMLRKPCX-UHFFFAOYSA-N -1 0 249.653 3.621 10 0 BHAERM CCCC/C=C/c1cccc(C(=O)[O-])c1 ZINC000082038937 168588154 /nfs/dbraw/zinc/58/81/54/168588154.db2.gz KQNYBDACXLEBLR-FNORWQNLSA-N -1 0 204.269 3.588 10 0 BHAERM 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/nfs/dbraw/zinc/34/87/26/368348726.db2.gz FEBNTWHYQKGEIQ-XVVRVCQVSA-N -1 0 234.339 3.790 10 0 endogenous,in-man BHAERM CCCCCCc1ccsc1C(=O)[O-] ZINC000141173419 541503764 /nfs/dbraw/zinc/50/37/64/541503764.db2.gz YWNCBXQYPUVVFX-UHFFFAOYSA-N -1 0 212.314 3.569 10 0 BHAERM O=C([O-])C12CCC(c3ccccc3)(CC1)CCC2 ZINC000142127094 345862314 /nfs/dbraw/zinc/86/23/14/345862314.db2.gz MOUAHDYHHIXOGB-UHFFFAOYSA-N -1 0 244.334 3.753 10 0 BHAERM O=C([O-])CC12CCC(c3ccccc3)(CC1)CC2 ZINC000142403504 343108218 /nfs/dbraw/zinc/10/82/18/343108218.db2.gz CSHHQTSZOXHNBA-UHFFFAOYSA-N -1 0 244.334 3.753 10 0 BHAERM CC(C)[C@H](C(=O)[O-])c1ccc2sccc2c1 ZINC000143445783 583923693 /nfs/dbraw/zinc/92/36/93/583923693.db2.gz LILYXLRTGUWICS-LBPRGKRZSA-N -1 0 234.320 3.726 10 0 BHAERM CC(C)[C@@H](C(=O)[O-])c1ccc2sccc2c1 ZINC000143445984 583923685 /nfs/dbraw/zinc/92/36/85/583923685.db2.gz LILYXLRTGUWICS-GFCCVEGCSA-N -1 0 234.320 3.726 10 0 BHAERM Cc1cc(C)c(Br)c(C)c1[S-] ZINC000143524336 374191955 /nfs/dbraw/zinc/19/19/55/374191955.db2.gz GHRWUWAQUKJLQH-UHFFFAOYSA-N -1 0 231.158 3.663 10 0 BHAERM O=C([O-])c1cc(Cl)ccc1-c1cccs1 ZINC000143988312 374263771 /nfs/dbraw/zinc/26/37/71/374263771.db2.gz KOHIHNZUEGEQMB-UHFFFAOYSA-N -1 0 238.695 3.767 10 0 BHAERM FC(F)(F)Oc1cc([S-])ccc1Cl ZINC000144918358 343143076 /nfs/dbraw/zinc/14/30/76/343143076.db2.gz UUGBDXPGSQPEKK-UHFFFAOYSA-N -1 0 228.622 3.527 10 0 BHAERM Cc1cccc(C)c1-c1ccc(C(=O)[O-])cc1C ZINC000144994757 343145162 /nfs/dbraw/zinc/14/51/62/343145162.db2.gz OIYMTKQHTUWDJN-UHFFFAOYSA-N -1 0 240.302 3.977 10 0 BHAERM [O-]c1c(Cl)cc(Cl)c2cc(Cl)cnc12 ZINC000145621289 344356790 /nfs/dbraw/zinc/35/67/90/344356790.db2.gz YEDRPPAWPVYYIG-UHFFFAOYSA-N -1 0 248.496 3.901 10 0 BHAERM Cc1cccc(C(=O)C=C([O-])c2cccs2)c1 ZINC000145741920 343268116 /nfs/dbraw/zinc/26/81/16/343268116.db2.gz KOYRVGQEBXRFMK-UHFFFAOYSA-N -1 0 244.315 3.512 10 0 BHAERM CC(C)CCC[C@@H](C)CCCC(=O)[O-] ZINC000145838685 342763624 /nfs/dbraw/zinc/76/36/24/342763624.db2.gz ICYLGMMNRKAUJS-LLVKDONJSA-N -1 0 200.322 3.704 10 0 BHAERM CC(C)CCC[C@H](C)CCCC(=O)[O-] ZINC000145838882 345214725 /nfs/dbraw/zinc/21/47/25/345214725.db2.gz ICYLGMMNRKAUJS-NSHDSACASA-N -1 0 200.322 3.704 10 0 BHAERM CCCCC12CCC(C(=O)[O-])(CC1)CC2 ZINC000146047987 342765356 /nfs/dbraw/zinc/76/53/56/342765356.db2.gz IXNAIRYFUPBATM-UHFFFAOYSA-N -1 0 210.317 3.602 10 0 BHAERM CCCCC/C(=C/C(=O)[O-])c1ccccc1 ZINC000146509258 342770533 /nfs/dbraw/zinc/77/05/33/342770533.db2.gz RCCAFWFVWASVAA-QBFSEMIESA-N -1 0 218.296 3.735 10 0 BHAERM CC(C)Nc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000148066916 346032195 /nfs/dbraw/zinc/03/21/95/346032195.db2.gz NXFPCUBGKYWYKF-UHFFFAOYSA-N -1 0 248.109 3.512 10 0 BHAERM CCc1ccc(-c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000148962894 342792925 /nfs/dbraw/zinc/79/29/25/342792925.db2.gz BKLYTSSTZJNKTE-UHFFFAOYSA-N -1 0 244.265 3.753 10 0 BHAERM CC(C)CCCSc1ccc(C(=O)[O-])cc1 ZINC000149031544 384628338 /nfs/dbraw/zinc/62/83/38/384628338.db2.gz DSGZSCSASRCYFN-UHFFFAOYSA-N -1 0 238.352 3.913 10 0 BHAERM CC(C)c1nc(C2CCCCC2)oc1C(=O)[O-] ZINC000160787493 387156892 /nfs/dbraw/zinc/15/68/92/387156892.db2.gz YWYSQPCBSYLPLN-UHFFFAOYSA-N -1 0 237.299 3.544 10 0 BHAERM C[C@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1O ZINC000163238242 343527247 /nfs/dbraw/zinc/52/72/47/343527247.db2.gz ZZTKNJGNARYFMV-JTQLQIEISA-N -1 0 248.322 3.628 10 0 BHAERM C[C@@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1O ZINC000163238366 346552059 /nfs/dbraw/zinc/55/20/59/346552059.db2.gz ZZTKNJGNARYFMV-SNVBAGLBSA-N -1 0 248.322 3.628 10 0 BHAERM C[C@H](Oc1cccc(C2CCCCC2)c1)C(=O)[O-] ZINC000163238496 343527087 /nfs/dbraw/zinc/52/70/87/343527087.db2.gz IKQKFNBLEJZNCX-NSHDSACASA-N -1 0 248.322 3.586 10 0 BHAERM C[C@@H](Oc1cccc(C2CCCCC2)c1)C(=O)[O-] ZINC000163238591 345764980 /nfs/dbraw/zinc/76/49/80/345764980.db2.gz IKQKFNBLEJZNCX-LLVKDONJSA-N -1 0 248.322 3.586 10 0 BHAERM CCc1c2cc(Cl)ccc2sc1C(=O)[O-] ZINC000163331954 371977329 /nfs/dbraw/zinc/97/73/29/371977329.db2.gz NSKCUORCLWRSSR-UHFFFAOYSA-N -1 0 240.711 3.815 10 0 BHAERM CCc1c2cccc(Cl)c2sc1C(=O)[O-] ZINC000163332098 371977609 /nfs/dbraw/zinc/97/76/09/371977609.db2.gz RWVLBNQGHJUNAE-UHFFFAOYSA-N -1 0 240.711 3.815 10 0 BHAERM O=C([O-])c1ccc(C2CCCCC2)cc1F ZINC000165014114 343111595 /nfs/dbraw/zinc/11/15/95/343111595.db2.gz IXPUOUOZOAEWQC-UHFFFAOYSA-N -1 0 222.259 3.572 10 0 BHAERM O=C([O-])c1ccc(C2CCCCC2)c(F)c1 ZINC000165180438 343137985 /nfs/dbraw/zinc/13/79/85/343137985.db2.gz CEDZXAVMBSCYJN-UHFFFAOYSA-N -1 0 222.259 3.572 10 0 BHAERM C[C@@H]1C[C@@H]2CCCC[C@@]2(C(=O)[O-])c2ccccc21 ZINC000166473885 343644637 /nfs/dbraw/zinc/64/46/37/343644637.db2.gz WGMPNQRCJLGWTH-WQGACYEGSA-N -1 0 244.334 3.706 10 0 BHAERM C[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)[O-])c2ccccc21 ZINC000166474115 346677523 /nfs/dbraw/zinc/67/75/23/346677523.db2.gz WGMPNQRCJLGWTH-HSMVNMDESA-N -1 0 244.334 3.706 10 0 BHAERM CCCCCCCc1cccc(C(=O)[O-])c1O ZINC000167001480 346696004 /nfs/dbraw/zinc/69/60/04/346696004.db2.gz YWHVOBYBKRBDPR-UHFFFAOYSA-N -1 0 236.311 3.603 10 0 BHAERM O=C([O-])C(c1ccsc1)=C1CCCCC1 ZINC000167112707 344944858 /nfs/dbraw/zinc/94/48/58/344944858.db2.gz DPTBLBIMHNJSKQ-UHFFFAOYSA-N -1 0 222.309 3.550 10 0 BHAERM CC[C@@H](CCC[C@@H](Cl)CCCl)C(=O)[O-] ZINC000167934751 345806225 /nfs/dbraw/zinc/80/62/25/345806225.db2.gz NAJCIIUJFOMGJK-DTWKUNHWSA-N -1 0 241.158 3.504 10 0 BHAERM CC[C@H](CCC[C@@H](Cl)CCCl)C(=O)[O-] ZINC000167934860 345806105 /nfs/dbraw/zinc/80/61/05/345806105.db2.gz NAJCIIUJFOMGJK-RKDXNWHRSA-N -1 0 241.158 3.504 10 0 BHAERM CC[C@@H](CCC[C@H](Cl)CCCl)C(=O)[O-] ZINC000167934952 346721780 /nfs/dbraw/zinc/72/17/80/346721780.db2.gz NAJCIIUJFOMGJK-IUCAKERBSA-N -1 0 241.158 3.504 10 0 BHAERM CC[C@H](CCC[C@H](Cl)CCCl)C(=O)[O-] ZINC000167935070 346721676 /nfs/dbraw/zinc/72/16/76/346721676.db2.gz NAJCIIUJFOMGJK-BDAKNGLRSA-N -1 0 241.158 3.504 10 0 BHAERM C[C@H](C(=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC000168301850 538945035 /nfs/dbraw/zinc/94/50/35/538945035.db2.gz UJNLDISRWXMBJD-VIFPVBQESA-N -1 0 212.333 3.560 10 0 BHAERM C[C@@H](C(=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC000168301950 538944776 /nfs/dbraw/zinc/94/47/76/538944776.db2.gz UJNLDISRWXMBJD-SECBINFHSA-N -1 0 212.333 3.560 10 0 BHAERM Cc1ccc([C@](C)(C(=O)[O-])C2CCCC2)s1 ZINC000168519228 345819542 /nfs/dbraw/zinc/81/95/42/345819542.db2.gz IVVSFXSPMUHIDP-CYBMUJFWSA-N -1 0 238.352 3.589 10 0 BHAERM CCc1oc(C2CCCCC2)cc1C(=O)[O-] ZINC000168606943 345816979 /nfs/dbraw/zinc/81/69/79/345816979.db2.gz KGDIIGKNBXKSFH-UHFFFAOYSA-N -1 0 222.284 3.588 10 0 BHAERM CCC/C(=C\C=C\C(=O)[O-])c1ccc(OC)cc1 ZINC000168860850 345824484 /nfs/dbraw/zinc/82/44/84/345824484.db2.gz DAYLLEDBPSJHSW-HRLWBZPXSA-N -1 0 246.306 3.520 10 0 BHAERM C[C@H](C(=O)[O-])c1ccc2c(c1)C[C@H]1CCCC[C@@H]21 ZINC000169318774 384671300 /nfs/dbraw/zinc/67/13/00/384671300.db2.gz HNEPTMLCGOUKJY-ZKYQVNSYSA-N -1 0 244.334 3.705 10 0 BHAERM CCCSC(=S)[N-]c1cccs1 ZINC000196077130 169335266 /nfs/dbraw/zinc/33/52/66/169335266.db2.gz PRSSPVWOBOURRR-UHFFFAOYSA-N -1 0 217.384 3.588 10 0 BHAERM CCCSC(=S)[N-]c1ccsc1 ZINC000196077147 169334955 /nfs/dbraw/zinc/33/49/55/169334955.db2.gz NSHJEMXSGIQJFB-UHFFFAOYSA-N -1 0 217.384 3.588 10 0 BHAERM [O-]c1cc(Cl)c(Cl)cc1C(F)(F)F ZINC000196116914 398220071 /nfs/dbraw/zinc/22/00/71/398220071.db2.gz AIPQWROTRIUBLU-UHFFFAOYSA-N -1 0 231.000 3.718 10 0 BHAERM Cc1ccc2c(c1)Oc1c(cccc1C(=O)[O-])O2 ZINC000196598594 347946625 /nfs/dbraw/zinc/94/66/25/347946625.db2.gz NBKQIVOYWQIZPG-UHFFFAOYSA-N -1 0 242.230 3.591 10 0 BHAERM Cc1ccc2c(c1)Oc1cccc(C(=O)[O-])c1O2 ZINC000196598601 347946876 /nfs/dbraw/zinc/94/68/76/347946876.db2.gz XXYSWPZQTIOQST-UHFFFAOYSA-N -1 0 242.230 3.591 10 0 BHAERM O=C([O-])c1cc2sccc2c2ccccc12 ZINC000196698308 347991263 /nfs/dbraw/zinc/99/12/63/347991263.db2.gz CEJLKOBSGQTDSP-UHFFFAOYSA-N -1 0 228.272 3.753 10 0 BHAERM CCCCC[C@@H](CC(=O)[O-])c1ccccc1 ZINC000196777496 343634873 /nfs/dbraw/zinc/63/48/73/343634873.db2.gz WCZOVZUKAULORB-ZDUSSCGKSA-N -1 0 220.312 3.825 10 0 BHAERM CCCCC[C@H](CC(=O)[O-])c1ccccc1 ZINC000196777508 343634746 /nfs/dbraw/zinc/63/47/46/343634746.db2.gz WCZOVZUKAULORB-CYBMUJFWSA-N -1 0 220.312 3.825 10 0 BHAERM Cc1cccc2c1Oc1cccc(C(=O)[O-])c1O2 ZINC000196849244 348033294 /nfs/dbraw/zinc/03/32/94/348033294.db2.gz SRYFJHHYFLDAFI-UHFFFAOYSA-N -1 0 242.230 3.591 10 0 BHAERM O=C([O-])c1cccc2cc(-c3ccccc3)cnc21 ZINC000196878742 343636498 /nfs/dbraw/zinc/63/64/98/343636498.db2.gz BQUKQPWRPPIVGO-UHFFFAOYSA-N -1 0 249.269 3.600 10 0 BHAERM O=C([O-])c1cccc2c(-c3ccccc3)ccnc12 ZINC000196878776 348047457 /nfs/dbraw/zinc/04/74/57/348047457.db2.gz YFKWGZRYUFJKQY-UHFFFAOYSA-N -1 0 249.269 3.600 10 0 BHAERM O=C([O-])c1cc(-c2ccccc2)cc2cccnc21 ZINC000196878816 348047369 /nfs/dbraw/zinc/04/73/69/348047369.db2.gz GKBCHMSQCNAJSP-UHFFFAOYSA-N -1 0 249.269 3.600 10 0 BHAERM O=C([O-])c1ccc2occ(-c3ccccc3)c2c1 ZINC000197254926 385526335 /nfs/dbraw/zinc/52/63/35/385526335.db2.gz DHJDNYJYHPVFQU-UHFFFAOYSA-N -1 0 238.242 3.798 10 0 BHAERM O=C([O-])c1ccc2c(c1)occ2-c1ccccc1 ZINC000197255178 182571818 /nfs/dbraw/zinc/57/18/18/182571818.db2.gz VDGULORXWRJRNR-UHFFFAOYSA-N -1 0 238.242 3.798 10 0 BHAERM Cc1cccc(/C=C\c2ccccc2C(=O)[O-])c1 ZINC000199490306 349237104 /nfs/dbraw/zinc/23/71/04/349237104.db2.gz BJJYDCMOGPBBOM-KTKRTIGZSA-N -1 0 238.286 3.864 10 0 BHAERM [O-]c1csc2c1ccc1cccc(Cl)c21 ZINC000201195564 368353758 /nfs/dbraw/zinc/35/37/58/368353758.db2.gz OUNPATOKDNNIEL-UHFFFAOYSA-N -1 0 234.707 3.782 10 0 BHAERM CCCOc1ccc2cc(C(=O)[O-])ccc2c1C ZINC000201649939 343389224 /nfs/dbraw/zinc/38/92/24/343389224.db2.gz ILNPVDSIAWARQS-UHFFFAOYSA-N -1 0 244.290 3.635 10 0 BHAERM CCCCCCc1ccc(/C=C/C(=O)[O-])s1 ZINC000204827468 348410949 /nfs/dbraw/zinc/41/09/49/348410949.db2.gz GYCBZKVOTCLKHY-MDZDMXLPSA-N -1 0 238.352 3.969 10 0 BHAERM CCCCCCOc1ccc(C)c(C(=O)[O-])c1 ZINC000204954242 343608152 /nfs/dbraw/zinc/60/81/52/343608152.db2.gz OSFKSIHKJPPWKU-UHFFFAOYSA-N -1 0 236.311 3.652 10 0 BHAERM Cc1cc(Cl)c(Br)cc1[S-] ZINC000205250807 368400049 /nfs/dbraw/zinc/40/00/49/368400049.db2.gz 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3.585 10 0 BHAERM CC1(C)CC(C2(C(=O)[O-])CC2)CC(C)(C)C1 ZINC000757179000 582553792 /nfs/dbraw/zinc/55/37/92/582553792.db2.gz ZNRKMRRLULYDSI-UHFFFAOYSA-N -1 0 224.344 3.704 10 0 BHAERM CC(C)(C)C1CCC(C2(C(=O)[O-])CC2)CC1 ZINC000757184403 586433897 /nfs/dbraw/zinc/43/38/97/586433897.db2.gz WPVRYNHAGOJXJA-UHFFFAOYSA-N -1 0 224.344 3.704 10 0 BHAERM CCCCC1CCC(/C=C/C(=O)[O-])CC1 ZINC000757191996 586435952 /nfs/dbraw/zinc/43/59/52/586435952.db2.gz GKVFWVIRNSPJAG-MDZDMXLPSA-N -1 0 210.317 3.624 10 0 BHAERM CC1(C)CCC2(CCC[C@@H]2CC(=O)[O-])CC1 ZINC000757196435 643367422 /nfs/dbraw/zinc/36/74/22/643367422.db2.gz YQBJGNQHZULUTP-LLVKDONJSA-N -1 0 224.344 3.848 10 0 BHAERM CC1(C)CCC2(CCC[C@H]2CC(=O)[O-])CC1 ZINC000757196436 643367928 /nfs/dbraw/zinc/36/79/28/643367928.db2.gz YQBJGNQHZULUTP-NSHDSACASA-N -1 0 224.344 3.848 10 0 BHAERM CCCc1cnc2ccc(Cl)cc2c1C(=O)[O-] ZINC000757565659 586461070 /nfs/dbraw/zinc/46/10/70/586461070.db2.gz ASECOMZBMSIRLD-UHFFFAOYSA-N -1 0 249.697 3.539 10 0 BHAERM 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