smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)(CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000011162291 168312367 /nfs/dbraw/zinc/31/23/67/168312367.db2.gz RJQRTHISYJTBCO-UHFFFAOYSA-N -1 0 249.310 2.906 50 0 BFAARM Cc1cc(Cl)cc(CC(=O)[O-])c1Cl ZINC000263624536 178063367 /nfs/dbraw/zinc/06/33/67/178063367.db2.gz RIWTXTSVHKBPMU-UHFFFAOYSA-N -1 0 219.067 2.929 50 0 BFAARM Cc1cc(F)c(C(=O)[O-])cc1Br ZINC000162575492 178074851 /nfs/dbraw/zinc/07/48/51/178074851.db2.gz BGBAXZILVNOSAT-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM CC(C)CCO[C@@H](C(=O)[O-])c1ccccc1 ZINC000019504012 538926244 /nfs/dbraw/zinc/92/62/44/538926244.db2.gz FGHDZIRKBRPXGB-GFCCVEGCSA-N -1 0 222.284 2.875 50 0 BFAARM Cc1cc(O)c(C(=O)c2ccccc2C)c(O)c1 ZINC000096319156 178195077 /nfs/dbraw/zinc/19/50/77/178195077.db2.gz YQMBGZHMGROJMA-UHFFFAOYSA-N -1 0 242.274 2.946 50 0 BFAARM Cc1cc2c(cc1Cl)/C(=C/C(=O)[O-])CO2 ZINC000094993331 178289105 /nfs/dbraw/zinc/28/91/05/178289105.db2.gz JDJGEUBVLPPCOH-XVNBXDOJSA-N -1 0 224.643 2.509 50 0 BFAARM Cc1cc2n[n-]c(=S)n2c2ccccc12 ZINC000002455595 178299868 /nfs/dbraw/zinc/29/98/68/178299868.db2.gz VSUPYSJUZGXREB-UHFFFAOYSA-N -1 0 215.281 2.854 50 0 BFAARM Cc1cc2ncn(CCCC(=O)[O-])c2cc1C ZINC000019389408 178306028 /nfs/dbraw/zinc/30/60/28/178306028.db2.gz SDSUFHKARUNOQX-UHFFFAOYSA-N -1 0 232.283 2.518 50 0 BFAARM Cc1ccc(-c2cc(C(=O)[O-])no2)c(C)c1 ZINC000022170236 178319594 /nfs/dbraw/zinc/31/95/94/178319594.db2.gz SYIAGMFEYCGFSW-UHFFFAOYSA-N -1 0 217.224 2.657 50 0 BFAARM Cc1ccc(C([O-])=CC(=O)C(F)F)cc1C ZINC000100497219 178371778 /nfs/dbraw/zinc/37/17/78/178371778.db2.gz IALCAMREMCZMLO-UHFFFAOYSA-N -1 0 226.222 2.710 50 0 BFAARM O=C([O-])c1ncoc1-c1ccccc1Cl ZINC000000107962 342674792 /nfs/dbraw/zinc/67/47/92/342674792.db2.gz IGBCIBWBDFNAQC-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])c1cccc2c1-c1ccccc1C2 ZINC000000133563 342676227 /nfs/dbraw/zinc/67/62/27/342676227.db2.gz WJNBLUOXTBTGMB-UHFFFAOYSA-N -1 0 210.232 2.956 50 0 BFAARM O=C([O-])c1csc(-c2cccs2)n1 ZINC000000158692 342678054 /nfs/dbraw/zinc/67/80/54/342678054.db2.gz FGKCNTGJZXHKFJ-UHFFFAOYSA-N -1 0 211.267 2.570 50 0 BFAARM CC(C)(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000000161370 342678311 /nfs/dbraw/zinc/67/83/11/342678311.db2.gz UKWWMMXKMDNJEM-LLVKDONJSA-N -1 0 206.285 2.976 50 0 BFAARM CC(C)(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000000166437 342678720 /nfs/dbraw/zinc/67/87/20/342678720.db2.gz VDDJFXUXRCXRSB-UHFFFAOYSA-N -1 0 239.246 2.509 50 0 BFAARM O=C([O-])c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000000226015 342680698 /nfs/dbraw/zinc/68/06/98/342680698.db2.gz UMZBLZRCSSUXQR-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM Cc1csc(C(=O)[O-])c1Br ZINC000000334411 342683552 /nfs/dbraw/zinc/68/35/52/342683552.db2.gz DQOPXMCMKCJDPJ-UHFFFAOYSA-N -1 0 221.075 2.517 50 0 BFAARM C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000000336449 342683779 /nfs/dbraw/zinc/68/37/79/342683779.db2.gz LZAHVZDWIJLOLZ-LURJTMIESA-N -1 0 233.189 2.590 50 0 BFAARM CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)[O-] ZINC000000035735 342670659 /nfs/dbraw/zinc/67/06/59/342670659.db2.gz LLMLSUSAKZVFOA-NJGYIYPDSA-N -1 0 209.072 2.662 50 0 in-vitro BFAARM O=C([O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000000057042 342671827 /nfs/dbraw/zinc/67/18/27/342671827.db2.gz HRIHSNPFVGMAKX-UHFFFAOYSA-N -1 0 208.110 2.543 50 0 BFAARM O=C([O-])c1ccccc1Nc1ccnc(Cl)n1 ZINC000002316895 342718461 /nfs/dbraw/zinc/71/84/61/342718461.db2.gz OOMWDVDTDKNMCP-UHFFFAOYSA-N -1 0 249.657 2.572 50 0 BFAARM Cc1nc(Nc2ccccc2)sc1C(=O)[O-] ZINC000000873499 342694174 /nfs/dbraw/zinc/69/41/74/342694174.db2.gz LNBUJXLOYNNILV-UHFFFAOYSA-N -1 0 234.280 2.893 50 0 BFAARM Nc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000001233107 342698326 /nfs/dbraw/zinc/69/83/26/342698326.db2.gz DHTPJFVSTBGVFV-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM CC(C)(C)Sc1ccc(C(=O)[O-])cn1 ZINC000001396774 342699790 /nfs/dbraw/zinc/69/97/90/342699790.db2.gz MDGGHNDKNUBZDS-UHFFFAOYSA-N -1 0 211.286 2.670 50 0 BFAARM C[C@@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000001846130 342712901 /nfs/dbraw/zinc/71/29/01/342712901.db2.gz YMBXTVYHTMGZDW-MFKMUULPSA-N -1 0 246.306 2.786 50 0 world BFAARM O=C([O-])c1cc(Cl)cc(Br)c1 ZINC000002013301 342714479 /nfs/dbraw/zinc/71/44/79/342714479.db2.gz PBRRUJWXRUGGAW-UHFFFAOYSA-N -1 0 235.464 2.801 50 0 BFAARM CN(C)c1ccc(C(=O)[O-])c2ccccc21 ZINC000002169179 342716577 /nfs/dbraw/zinc/71/65/77/342716577.db2.gz LZQKNRRVTOJUHQ-UHFFFAOYSA-N -1 0 215.252 2.604 50 0 BFAARM Cc1cc(/C=C/C(=O)[O-])c(C)n1C1CC1 ZINC000004206299 342744357 /nfs/dbraw/zinc/74/43/57/342744357.db2.gz DQINJRIDMZJWTI-ZZXKWVIFSA-N -1 0 205.257 2.538 50 0 BFAARM O=C([O-])c1cccc(-c2nccs2)c1 ZINC000004253950 342745610 /nfs/dbraw/zinc/74/56/10/342745610.db2.gz BLFSSABBFANDKK-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 in-vitro BFAARM C[C@H](CC(=O)[O-])c1c[nH]c2ccccc21 ZINC000004294565 342746195 /nfs/dbraw/zinc/74/61/95/342746195.db2.gz IKTJMKYSKNYTJM-MRVPVSSYSA-N -1 0 203.241 2.746 50 0 BFAARM CCc1c2cc(F)ccc2[nH]c1C(=O)[O-] ZINC000004384233 342747434 /nfs/dbraw/zinc/74/74/34/342747434.db2.gz MQEQTBNFWHGSRJ-UHFFFAOYSA-N -1 0 207.204 2.568 50 0 BFAARM Cc1c(NC(=O)c2ccco2)cccc1C(=O)[O-] ZINC000004512108 342748586 /nfs/dbraw/zinc/74/85/86/342748586.db2.gz ZZGXXSKNYDABQQ-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)c1ccccc1 ZINC000002570080 342724754 /nfs/dbraw/zinc/72/47/54/342724754.db2.gz FLPQLUGZLPSVOG-RYUDHWBXSA-N -1 0 232.279 2.760 50 0 BFAARM CCCCOc1ccc(C(=O)[O-])cc1OCC ZINC000002890740 342727775 /nfs/dbraw/zinc/72/77/75/342727775.db2.gz HEEGBVYBSCWQJP-UHFFFAOYSA-N -1 0 238.283 2.962 50 0 BFAARM Cc1ccoc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000004851365 342753261 /nfs/dbraw/zinc/75/32/61/342753261.db2.gz PRIZKRWQTVWBFL-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM CCc1c(C)[nH]c2ccc(C(=O)[O-])cc21 ZINC000004942719 342754763 /nfs/dbraw/zinc/75/47/63/342754763.db2.gz ZVPOGFAXZBEYDE-UHFFFAOYSA-N -1 0 203.241 2.737 50 0 BFAARM CC[C@H](Oc1cc(C)ccc1Cl)C(=O)[O-] ZINC000006048915 342773109 /nfs/dbraw/zinc/77/31/09/342773109.db2.gz IBEUMMWJCKGJFT-VIFPVBQESA-N -1 0 228.675 2.890 50 0 BFAARM Cc1c(NCc2ccccn2)cccc1C(=O)[O-] ZINC000006701067 342781155 /nfs/dbraw/zinc/78/11/55/342781155.db2.gz HAUFZEHUDXFIIB-UHFFFAOYSA-N -1 0 242.278 2.700 50 0 BFAARM CCCCCOc1ccccc1C(=O)[O-] ZINC000007261547 342790704 /nfs/dbraw/zinc/79/07/04/342790704.db2.gz CNCMJNMYQXOHNN-UHFFFAOYSA-N -1 0 208.257 2.954 50 0 BFAARM O=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000008727752 342803381 /nfs/dbraw/zinc/80/33/81/342803381.db2.gz LNCHBBZGCITQPQ-UHFFFAOYSA-N -1 0 241.246 2.637 50 0 BFAARM Cn1c(C(=O)[O-])cc2ccc(Cl)cc21 ZINC000008417041 342798980 /nfs/dbraw/zinc/79/89/80/342798980.db2.gz BMHTUBVXMTYFAS-UHFFFAOYSA-N -1 0 209.632 2.530 50 0 BFAARM CCCc1c(C)[nH]c2ccc(C(=O)[O-])cc2c1=O ZINC000008733391 342803974 /nfs/dbraw/zinc/80/39/74/342803974.db2.gz KBXXUAZNZIOYCL-UHFFFAOYSA-N -1 0 245.278 2.900 50 0 biogenic BFAARM CC(C)(C)COc1ccc(C(=O)[O-])cc1 ZINC000012138098 342846939 /nfs/dbraw/zinc/84/69/39/342846939.db2.gz VZGBFUCAXPSHOP-UHFFFAOYSA-N -1 0 208.257 2.810 50 0 BFAARM Cc1c(CCCC(=O)[O-])c2ccccc2n1C ZINC000012372368 342850484 /nfs/dbraw/zinc/85/04/84/342850484.db2.gz ZQKRHIPBVIFQQH-UHFFFAOYSA-N -1 0 231.295 2.894 50 0 BFAARM Cc1ccc(NC(=O)[C@H]2CC=CCC2)c(O)c1 ZINC000013023068 342863044 /nfs/dbraw/zinc/86/30/44/342863044.db2.gz UHELKILJHVKBMF-NSHDSACASA-N -1 0 231.295 2.995 50 0 BFAARM O=C([O-])c1cccc(NC(=O)C2CCCC2)c1 ZINC000013094517 342863831 /nfs/dbraw/zinc/86/38/31/342863831.db2.gz ANRXMHUNVMNJAO-UHFFFAOYSA-N -1 0 233.267 2.514 50 0 BFAARM CCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013427745 342866615 /nfs/dbraw/zinc/86/66/15/342866615.db2.gz KXSMRHCHMHJBGS-GFCCVEGCSA-N -1 0 249.310 2.509 50 0 BFAARM Cc1ccc(C(F)(F)F)cc1CC(=O)[O-] ZINC000038529685 178456037 /nfs/dbraw/zinc/45/60/37/178456037.db2.gz JUHQANJHRWBIKL-UHFFFAOYSA-N -1 0 218.174 2.641 50 0 BFAARM S=C1[N-]NC(=C2C=Nc3ccccc32)O1 ZINC000015952969 342903538 /nfs/dbraw/zinc/90/35/38/342903538.db2.gz UVHFDWVKCUDWIL-UHFFFAOYSA-N -1 0 217.253 2.507 50 0 BFAARM O=C([O-])[C@H]1CCc2sc(-c3ccccc3)nc21 ZINC000017192279 342921980 /nfs/dbraw/zinc/92/19/80/342921980.db2.gz AEAIEXCUUWOBJH-VIFPVBQESA-N -1 0 245.303 2.925 50 0 BFAARM O=C([O-])c1cccc(-c2ccccc2O)c1 ZINC000016947593 342917921 /nfs/dbraw/zinc/91/79/21/342917921.db2.gz OCZVWZVTEQXRPI-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM Cc1ccc2nc(C)c(C)c(C(=O)[O-])c2c1 ZINC000019088334 342941350 /nfs/dbraw/zinc/94/13/50/342941350.db2.gz RUYKALAWHTVPKK-UHFFFAOYSA-N -1 0 215.252 2.858 50 0 BFAARM O=C([O-])[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2 ZINC000100259687 398344307 /nfs/dbraw/zinc/34/43/07/398344307.db2.gz GMOBHRQSNDDZAD-YDRMRZIKSA-N -1 0 214.692 2.649 50 0 BFAARM C[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000019726362 342954912 /nfs/dbraw/zinc/95/49/12/342954912.db2.gz PFDBEACWLCHWRZ-LURJTMIESA-N -1 0 229.073 2.637 50 0 BFAARM O=C([O-])c1ccccc1CCc1ccccn1 ZINC000019735533 342955291 /nfs/dbraw/zinc/95/52/91/342955291.db2.gz FQMJKVCITJEXFU-UHFFFAOYSA-N -1 0 227.263 2.565 50 0 BFAARM O=C([O-])c1cc(OCc2ccccc2)ccc1O ZINC000020593687 342991665 /nfs/dbraw/zinc/99/16/65/342991665.db2.gz PNERJPORNFOLIT-UHFFFAOYSA-N -1 0 244.246 2.669 50 0 BFAARM CC(C)(C)c1nc2ccccc2n1CCC(=O)[O-] ZINC000020223128 342977988 /nfs/dbraw/zinc/97/79/88/342977988.db2.gz ZKYSBJGKIFUMMV-UHFFFAOYSA-N -1 0 246.310 2.809 50 0 BFAARM O=C([O-])c1c2c(nc3cc(F)ccc31)CCC2 ZINC000020284385 342980303 /nfs/dbraw/zinc/98/03/03/342980303.db2.gz CDMNTHSYBSXIRQ-UHFFFAOYSA-N -1 0 231.226 2.561 50 0 BFAARM Cc1cccc(-c2csc3c2[n-]cnc3=O)c1 ZINC000021658109 343017417 /nfs/dbraw/zinc/01/74/17/343017417.db2.gz LQSRBDVTAITIPB-UHFFFAOYSA-N -1 0 242.303 2.960 50 0 BFAARM C[C@@H](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000022023130 343036513 /nfs/dbraw/zinc/03/65/13/343036513.db2.gz DYBYNFXXAQJRBN-MRVPVSSYSA-N -1 0 212.676 2.993 50 0 BFAARM COc1cccc(CC(C)(C)CC(=O)[O-])c1 ZINC000049818819 343073974 /nfs/dbraw/zinc/07/39/74/343073974.db2.gz WIOBJKISLAORQO-UHFFFAOYSA-N -1 0 222.284 2.739 50 0 BFAARM O=C([O-])c1cn2cc(-c3ccccc3)nc2s1 ZINC000029753772 343146454 /nfs/dbraw/zinc/14/64/54/343146454.db2.gz AIOINNJFQGFMED-UHFFFAOYSA-N -1 0 244.275 2.761 50 0 BFAARM O=C([O-])C(O)(C1CCCCC1)C1CCCCC1 ZINC000000080873 187243908 /nfs/dbraw/zinc/24/39/08/187243908.db2.gz LZEAYFSRBRGLSF-UHFFFAOYSA-N -1 0 240.343 2.963 50 0 BFAARM CC(C)(Oc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000002557826 187246293 /nfs/dbraw/zinc/24/62/93/187246293.db2.gz DRROMOGOGUVQOW-UHFFFAOYSA-N -1 0 248.200 2.947 50 0 BFAARM CSc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002378695 187245396 /nfs/dbraw/zinc/24/53/96/187245396.db2.gz YXVDDYAHAFDVIY-UHFFFAOYSA-N -1 0 238.308 2.846 50 0 BFAARM O=C([O-])[C@@H](OC1CCCC1)c1ccccc1 ZINC000035222168 343290619 /nfs/dbraw/zinc/29/06/19/343290619.db2.gz MAMLQTTUXSMYPX-LBPRGKRZSA-N -1 0 220.268 2.772 50 0 BFAARM C[C@H](C(=O)[O-])c1ccccc1Br ZINC000034413715 343270197 /nfs/dbraw/zinc/27/01/97/343270197.db2.gz HAZQYHDLSHWBEF-LURJTMIESA-N -1 0 229.073 2.637 50 0 BFAARM O=C([O-])c1cnc(-c2c(F)cccc2F)s1 ZINC000034975455 343282238 /nfs/dbraw/zinc/28/22/38/343282238.db2.gz BZFOWNXSECHVCB-UHFFFAOYSA-N -1 0 241.218 2.787 50 0 BFAARM Fc1ccc(Br)cc1[S-] ZINC000036533004 343320119 /nfs/dbraw/zinc/32/01/19/343320119.db2.gz SHSYFORYQKPNSF-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM O=C([O-])c1cnc(-c2ccsc2)s1 ZINC000036930157 343328095 /nfs/dbraw/zinc/32/80/95/343328095.db2.gz VGZDKHKEXMWAFI-UHFFFAOYSA-N -1 0 211.267 2.570 50 0 BFAARM C[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000036377932 343317045 /nfs/dbraw/zinc/31/70/45/343317045.db2.gz QLHMQZFTSIHQIT-ZCFIWIBFSA-N -1 0 229.073 2.637 50 0 BFAARM C[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000038417315 343374662 /nfs/dbraw/zinc/37/46/62/343374662.db2.gz RSLAPCSAZMQDSO-ZCFIWIBFSA-N -1 0 218.174 2.894 50 0 BFAARM CCOc1c(F)cc(CC(=O)[O-])cc1Cl ZINC000038529989 343376312 /nfs/dbraw/zinc/37/63/12/343376312.db2.gz ZKDDGBLYOWWDAR-UHFFFAOYSA-N -1 0 232.638 2.505 50 0 BFAARM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037500402 343347496 /nfs/dbraw/zinc/34/74/96/343347496.db2.gz NXVWHIUQIANBRQ-UHFFFAOYSA-N -1 0 241.674 2.633 50 0 BFAARM Cc1cc(Br)c(C(=O)[O-])cc1F ZINC000039953644 343394141 /nfs/dbraw/zinc/39/41/41/343394141.db2.gz WFPYJWBPQCXYCJ-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM O=C([O-])c1ccc(Nc2ccnc(Cl)n2)cc1 ZINC000040447872 343403524 /nfs/dbraw/zinc/40/35/24/343403524.db2.gz POTZEQHGXWHKJU-UHFFFAOYSA-N -1 0 249.657 2.572 50 0 BFAARM CCc1ccc(-c2nc(CC(=O)[O-])c(C)o2)cc1 ZINC000041292185 343418187 /nfs/dbraw/zinc/41/81/87/343418187.db2.gz YLKKNZZZCGZIKJ-UHFFFAOYSA-N -1 0 245.278 2.840 50 0 BFAARM Cc1ccsc1C(=O)C[C@@H](C)CC(=O)[O-] ZINC000043214279 343466385 /nfs/dbraw/zinc/46/63/85/343466385.db2.gz OCVGXLVMDYDEAF-SSDOTTSWSA-N -1 0 226.297 2.740 50 0 BFAARM C/C=C/C=C/C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044749869 343513415 /nfs/dbraw/zinc/51/34/15/343513415.db2.gz XDFAJFSURQDIBM-VNKDHWASSA-N -1 0 245.278 2.764 50 0 BFAARM Cc1onc(-c2cc(F)cc(F)c2)c1C(=O)[O-] ZINC000167510254 537807371 /nfs/dbraw/zinc/80/73/71/537807371.db2.gz ZWMBZAKXGQAKQZ-UHFFFAOYSA-N -1 0 239.177 2.626 50 0 BFAARM Cc1ccccc1C([O-])=CC(=O)C(C)C ZINC000112750683 537821704 /nfs/dbraw/zinc/82/17/04/537821704.db2.gz RPNOHKWNMGNIEU-UHFFFAOYSA-N -1 0 204.269 2.793 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000038976465 344189030 /nfs/dbraw/zinc/18/90/30/344189030.db2.gz UKRIUIRBTVRYAH-DTWKUNHWSA-N -1 0 230.185 2.894 50 0 BFAARM Cc1ccc(OC(F)(F)F)cc1CCC(=O)[O-] ZINC000091252058 178809143 /nfs/dbraw/zinc/80/91/43/178809143.db2.gz HRXITAZJWHWLCF-UHFFFAOYSA-N -1 0 248.200 2.911 50 0 BFAARM CCCCCCSc1nnc(C)c(=O)[n-]1 ZINC000011991250 345102409 /nfs/dbraw/zinc/10/24/09/345102409.db2.gz CLYXSRPWQHQIMH-UHFFFAOYSA-N -1 0 227.333 2.558 50 0 BFAARM Cc1ccc(Br)c(F)c1C(=O)[O-] ZINC000075914855 537932499 /nfs/dbraw/zinc/93/24/99/537932499.db2.gz UWEYXKANOPMPLE-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM Cc1cccc(-c2nocc2CCC(=O)[O-])c1 ZINC000169676736 179000606 /nfs/dbraw/zinc/00/06/06/179000606.db2.gz UXTLJUOZLXMNAN-UHFFFAOYSA-N -1 0 231.251 2.667 50 0 BFAARM Cc1cccc(C(=O)C[C@H](C)CC(=O)[O-])c1C ZINC000043214293 179004062 /nfs/dbraw/zinc/00/40/62/179004062.db2.gz GFSARUVAIABOEI-VIFPVBQESA-N -1 0 234.295 2.987 50 0 BFAARM C/C=C(/C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221725264 187319470 /nfs/dbraw/zinc/31/94/70/187319470.db2.gz PKAIIEPLCMILGL-OHBHKIFCSA-N -1 0 245.278 2.689 50 0 BFAARM Cc1cc2[n-]c(=S)n(C3CCCC3)c(=O)c2[nH]1 ZINC000221631328 187319910 /nfs/dbraw/zinc/31/99/10/187319910.db2.gz NNDMKMMHSBQJIG-UHFFFAOYSA-N -1 0 249.339 2.811 50 0 BFAARM Cc1cccc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000043879000 179027592 /nfs/dbraw/zinc/02/75/92/179027592.db2.gz LCRAIEWQRNEROC-NWDGAFQWSA-N -1 0 232.279 2.679 50 0 BFAARM CCCCCCC(CC)(C(=O)[O-])C(=O)[O-] ZINC000001734076 346470964 /nfs/dbraw/zinc/47/09/64/346470964.db2.gz ZFUULEVFTWFFKQ-UHFFFAOYSA-N -1 0 216.277 2.522 50 0 BFAARM Cc1ccc(C)c(CC[C@H](C)C(=O)[O-])c1 ZINC000005379918 346615495 /nfs/dbraw/zinc/61/54/95/346615495.db2.gz IQQRCAWQIUUADX-NSHDSACASA-N -1 0 206.285 2.957 50 0 BFAARM O=C([O-])[C@@H]1CCc2ccc(Br)cc21 ZINC000039206434 346745623 /nfs/dbraw/zinc/74/56/23/346745623.db2.gz RMVRCSOJMLGDAG-MRVPVSSYSA-N -1 0 241.084 2.564 50 0 BFAARM Cc1cccc(Oc2ccc(C(=O)[O-])nc2)c1 ZINC000084019113 179175519 /nfs/dbraw/zinc/17/55/19/179175519.db2.gz ZRQXMHPBSDUCER-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM Cc1ccccc1SCCCC(=O)[O-] ZINC000011864361 179315266 /nfs/dbraw/zinc/31/52/66/179315266.db2.gz KPIOPRMFGFQEIB-UHFFFAOYSA-N -1 0 210.298 2.952 50 0 BFAARM COc1ccc(C2(C(=O)[O-])CCCC2)c(F)c1 ZINC000075073554 348777395 /nfs/dbraw/zinc/77/73/95/348777395.db2.gz ROEWNJJDBHHPIN-UHFFFAOYSA-N -1 0 238.258 2.731 50 0 BFAARM O=C([O-])c1ccc(F)c(Cl)c1Cl ZINC000038524124 190993157 /nfs/dbraw/zinc/99/31/57/190993157.db2.gz KPFXMYOQAANDKH-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM Cc1nc2ccc(/C=C/C(=O)[O-])cc2s1 ZINC000000228755 180086615 /nfs/dbraw/zinc/08/66/15/180086615.db2.gz VQZYFNDEGUISGK-HWKANZROSA-N -1 0 219.265 2.703 50 0 BFAARM Cc1nc2ccccc2n1[C@H](C(=O)[O-])C(C)C ZINC000019410821 180102592 /nfs/dbraw/zinc/10/25/92/180102592.db2.gz LBSTVAAYZYPZIB-LBPRGKRZSA-N -1 0 232.283 2.626 50 0 BFAARM Cc1ncccc1Oc1ccc(C(=O)[O-])cc1 ZINC000090411471 180228767 /nfs/dbraw/zinc/22/87/67/180228767.db2.gz UHSGZFXHBLBERO-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM O=C([O-])c1cnc2oc(-c3cccs3)nc2c1 ZINC000040449307 350364832 /nfs/dbraw/zinc/36/48/32/350364832.db2.gz ZCJJYBSSPZRWNV-UHFFFAOYSA-N -1 0 246.247 2.650 50 0 BFAARM C[C@@H]1C[C@H]([C@@H](F)C(=O)[O-])CC(C)(C)C1 ZINC000224637243 350331242 /nfs/dbraw/zinc/33/12/42/350331242.db2.gz JEGHILZSWHCDQW-HRDYMLBCSA-N -1 0 202.269 2.872 50 0 BFAARM O=C([O-])[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000082714058 490585526 /nfs/dbraw/zinc/58/55/26/490585526.db2.gz SDYAQCXDLLKIIH-SECBINFHSA-N -1 0 239.702 2.641 50 0 BFAARM Cc1onc(C2CCCCC2)c1C(=O)[O-] ZINC000019682372 180553252 /nfs/dbraw/zinc/55/32/52/180553252.db2.gz ZYCDJLZFOUQYKT-UHFFFAOYSA-N -1 0 209.245 2.729 50 0 BFAARM Cc1sc(-c2ccccc2F)nc1C(=O)[O-] ZINC000011767360 180556845 /nfs/dbraw/zinc/55/68/45/180556845.db2.gz ZZUZMYTZDLFLBK-UHFFFAOYSA-N -1 0 237.255 2.956 50 0 BFAARM O=C([O-])c1cc(Cl)cc(F)c1Cl ZINC000001732077 363069346 /nfs/dbraw/zinc/06/93/46/363069346.db2.gz ZVYNMBUXCNVMSC-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM CCc1n[n-]c(=S)n1-c1cccc(F)c1 ZINC000006395606 363096254 /nfs/dbraw/zinc/09/62/54/363096254.db2.gz OGRNBDJDUXDQGR-UHFFFAOYSA-N -1 0 223.276 2.631 50 0 BFAARM Cc1cc(C)cc(C(=O)C[C@@H](C)C(=O)[O-])c1 ZINC000043214130 187605408 /nfs/dbraw/zinc/60/54/08/187605408.db2.gz COYIRJYVWHGOAE-SNVBAGLBSA-N -1 0 220.268 2.597 50 0 BFAARM O=C([O-])c1ccc(Cl)c2cnccc12 ZINC000082769946 187622832 /nfs/dbraw/zinc/62/28/32/187622832.db2.gz QVXXRSGAKJCASV-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM Cc1cc(C(=O)[O-])ccc1OCC(C)(F)F ZINC000223180196 353285645 /nfs/dbraw/zinc/28/56/45/353285645.db2.gz RWWFZBMDCRWBMY-UHFFFAOYSA-N -1 0 230.210 2.727 50 0 BFAARM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)[O-] ZINC000002555261 188275156 /nfs/dbraw/zinc/27/51/56/188275156.db2.gz CILPHQCEVYJUDN-OUAUKWLOSA-N -1 0 214.305 2.548 50 0 BFAARM Cc1ccc(OCC(=O)[O-])c(C(C)(C)C)c1 ZINC000011957526 188279449 /nfs/dbraw/zinc/27/94/49/188279449.db2.gz NGTGZHHFYCBINW-UHFFFAOYSA-N -1 0 222.284 2.756 50 0 BFAARM Cc1ccc(F)cc1C(=O)CC(C)(C)C(=O)[O-] ZINC000043214318 188295181 /nfs/dbraw/zinc/29/51/81/188295181.db2.gz CJVKMHBZHYKNFP-UHFFFAOYSA-N -1 0 238.258 2.818 50 0 BFAARM Cc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])c(C)c1 ZINC000043214295 188295480 /nfs/dbraw/zinc/29/54/80/188295480.db2.gz SXQPNPJMDDUDEB-SNVBAGLBSA-N -1 0 234.295 2.987 50 0 BFAARM Cc1ccsc1C(=O)CC(C)(C)C(=O)[O-] ZINC000043214278 188295586 /nfs/dbraw/zinc/29/55/86/188295586.db2.gz WUJWHQYBCLUNBC-UHFFFAOYSA-N -1 0 226.297 2.740 50 0 BFAARM O=Cc1cc(Br)ccc1[S-] ZINC000199580101 538473492 /nfs/dbraw/zinc/47/34/92/538473492.db2.gz MDPXRAGTVDFRMD-UHFFFAOYSA-N -1 0 217.087 2.550 50 0 BFAARM O=[S@]([O-])c1cc(Cl)sc1Cl ZINC000012408818 357338456 /nfs/dbraw/zinc/33/84/56/357338456.db2.gz IRJLSENDYORLMB-UHFFFAOYSA-N -1 0 217.098 2.636 50 0 BFAARM CC(C)(C)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000006730051 200651431 /nfs/dbraw/zinc/65/14/31/200651431.db2.gz OHADMZXCKCKARP-UHFFFAOYSA-N -1 0 249.310 2.787 50 0 BFAARM O=C([O-])c1ccc2[nH]c(C3=CC=CC3)nc2c1 ZINC000098074347 368381225 /nfs/dbraw/zinc/38/12/25/368381225.db2.gz VOONPXWODHJXSZ-UHFFFAOYSA-N -1 0 226.235 2.604 50 0 BFAARM O=C([O-])c1ccc2oc(C3(O)CCCC3)cc2c1 ZINC000114957744 370613161 /nfs/dbraw/zinc/61/31/61/370613161.db2.gz IDLZGUBBOIJNEM-UHFFFAOYSA-N -1 0 246.262 2.893 50 0 BFAARM Nc1ccc(Cl)c(-c2ccc(C(=O)[O-])o2)c1 ZINC000073640306 181709053 /nfs/dbraw/zinc/70/90/53/181709053.db2.gz GYOMSTXWQKFUMR-UHFFFAOYSA-N -1 0 237.642 2.880 50 0 BFAARM CCCn1c(=O)c2cc(C)ccc2[n-]c1=S ZINC000021658050 371469339 /nfs/dbraw/zinc/46/93/39/371469339.db2.gz VIGVWCXUBLPGJM-UHFFFAOYSA-N -1 0 234.324 2.778 50 0 BFAARM CC1(C)C[C@](Cc2ccccc2)(C(=O)[O-])CCO1 ZINC000008462899 372729565 /nfs/dbraw/zinc/72/95/65/372729565.db2.gz KLYLQAGPUFFWHE-HNNXBMFYSA-N -1 0 248.322 2.889 50 0 biogenic BFAARM CC(=O)c1ccc([O-])c(Cl)c1Cl ZINC000039207772 372902498 /nfs/dbraw/zinc/90/24/98/372902498.db2.gz FDHMYZRFXAXLFF-UHFFFAOYSA-N -1 0 205.040 2.902 50 0 BFAARM O=C(NC1CCCC1)c1ccc([O-])c(Cl)c1 ZINC000019837242 182111243 /nfs/dbraw/zinc/11/12/43/182111243.db2.gz AVGNXISCNDHXKB-UHFFFAOYSA-N -1 0 239.702 2.718 50 0 BFAARM O=C([O-])CCCCCCCCCCO ZINC000002168567 182435811 /nfs/dbraw/zinc/43/58/11/182435811.db2.gz KNRCBASNXNXUQQ-UHFFFAOYSA-N -1 0 202.294 2.574 50 0 in-vitro BFAARM O=C([O-])CCc1c(F)cccc1Br ZINC000075902148 182453199 /nfs/dbraw/zinc/45/31/99/182453199.db2.gz UTLGOOMCDSXMPN-UHFFFAOYSA-N -1 0 247.063 2.605 50 0 BFAARM O=C([O-])CCc1ccc(-c2cccs2)[nH]1 ZINC000000054520 182454540 /nfs/dbraw/zinc/45/45/40/182454540.db2.gz RZAOREOUQVDFQX-UHFFFAOYSA-N -1 0 221.281 2.760 50 0 BFAARM O=C([O-])C[C@@H]1CC=C(c2noc(C3CC3)n2)CC1 ZINC000045795878 182477240 /nfs/dbraw/zinc/47/72/40/182477240.db2.gz UPKFPAPOABGCBD-MRVPVSSYSA-N -1 0 248.282 2.605 50 0 BFAARM O=C([O-])[C@H](OC1CCCC1)c1ccccc1 ZINC000035222169 182529606 /nfs/dbraw/zinc/52/96/06/182529606.db2.gz MAMLQTTUXSMYPX-GFCCVEGCSA-N -1 0 220.268 2.772 50 0 BFAARM O=C([O-])c1c(Cl)cnc(Cl)c1Cl ZINC000032911397 182547753 /nfs/dbraw/zinc/54/77/53/182547753.db2.gz TYMTYHMQJHSRIF-UHFFFAOYSA-N -1 0 226.446 2.740 50 0 BFAARM O=C([O-])c1cccc(C(F)(F)F)c1F ZINC000000056724 182576192 /nfs/dbraw/zinc/57/61/92/182576192.db2.gz XVEAMDNSCPPPCP-UHFFFAOYSA-N -1 0 208.110 2.543 50 0 BFAARM O=C([O-])c1ccc(N2CCCC2)cc1Cl ZINC000000168126 182567935 /nfs/dbraw/zinc/56/79/35/182567935.db2.gz QMZLYZCZDQIOIL-UHFFFAOYSA-N -1 0 225.675 2.638 50 0 BFAARM O=C([O-])c1cccc(F)c1C(F)(F)F ZINC000002382257 182576441 /nfs/dbraw/zinc/57/64/41/182576441.db2.gz CDGGKKODENBDJO-UHFFFAOYSA-N -1 0 208.110 2.543 50 0 BFAARM O=C([O-])c1ccc(OC(F)(F)Cl)cc1 ZINC000002568736 182571137 /nfs/dbraw/zinc/57/11/37/182571137.db2.gz MKEUDNOXARFUQW-UHFFFAOYSA-N -1 0 222.574 2.553 50 0 BFAARM O=C([O-])c1ccc2nc(Cl)sc2c1 ZINC000012336596 182573948 /nfs/dbraw/zinc/57/39/48/182573948.db2.gz QLAKWSXVXQRGDB-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(O)cc2)cc1F ZINC000065340067 182561499 /nfs/dbraw/zinc/56/14/99/182561499.db2.gz CCSOVFVODXNDGW-UHFFFAOYSA-N -1 0 232.210 2.897 50 0 BFAARM O=C([O-])c1ccnc(Nc2ccccc2)c1 ZINC000019844540 182586446 /nfs/dbraw/zinc/58/64/46/182586446.db2.gz HZRCPZQBVMUEOS-UHFFFAOYSA-N -1 0 214.224 2.523 50 0 BFAARM O=C(c1ccccc1)C1=C([O-])c2ccoc2CC1 ZINC000000531120 182677686 /nfs/dbraw/zinc/67/76/86/182677686.db2.gz WFEFTPWEVLUTLS-GFCCVEGCSA-N -1 0 240.258 2.908 50 0 BFAARM O=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000002532688 182861857 /nfs/dbraw/zinc/86/18/57/182861857.db2.gz ITSXSHQWMYYQQY-UHFFFAOYSA-N -1 0 235.464 2.621 50 0 BFAARM CCCN(CC)c1ccc(C(=O)[O-])cc1 ZINC000037095256 169133228 /nfs/dbraw/zinc/13/32/28/169133228.db2.gz LDKICXSBCGMDBA-UHFFFAOYSA-N -1 0 207.273 2.621 50 0 BFAARM [O-]c1cc(Br)c(F)cc1Cl ZINC000040448808 183257461 /nfs/dbraw/zinc/25/74/61/183257461.db2.gz NQQPSJDOZDIKTE-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM O=c1nc(-c2cccs2)n(-c2ccccc2)[n-]1 ZINC000005731554 183307196 /nfs/dbraw/zinc/30/71/96/183307196.db2.gz GEYDKVPYYCKCKD-UHFFFAOYSA-N -1 0 243.291 2.701 50 0 BFAARM O=c1nc[n-]c2c(-c3ccc(F)cc3)nsc21 ZINC000033268017 183309415 /nfs/dbraw/zinc/30/94/15/183309415.db2.gz JJPINIOIOXIRLE-UHFFFAOYSA-N -1 0 247.254 2.598 50 0 BFAARM CCCOc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000002144857 169317291 /nfs/dbraw/zinc/31/72/91/169317291.db2.gz XYZVSEPTKOAAPV-UHFFFAOYSA-N -1 0 236.267 2.523 50 0 BFAARM CCC[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 ZINC000096113656 169461558 /nfs/dbraw/zinc/46/15/58/169461558.db2.gz JFKRDLLWUDENQB-LBPRGKRZSA-N -1 0 214.305 2.837 50 0 biogenic BFAARM CC(C)(C)OC(=O)NCCCCCCC(=O)[O-] ZINC000002597017 166661345 /nfs/dbraw/zinc/66/13/45/166661345.db2.gz HJENAZQPOGVAEK-UHFFFAOYSA-N -1 0 245.319 2.546 50 0 BFAARM c1ccc2c(c1)cccc2[N-]c1nnns1 ZINC000000401269 383863586 /nfs/dbraw/zinc/86/35/86/383863586.db2.gz NRPSYMDXSNYVNG-UHFFFAOYSA-N -1 0 228.280 2.830 50 0 BFAARM O=C([O-])C1c2ccccc2-c2ccccc21 ZINC000000154881 383835253 /nfs/dbraw/zinc/83/52/53/383835253.db2.gz DNVJGJUGFFYUPT-UHFFFAOYSA-N -1 0 210.232 2.884 50 0 BFAARM O=C([O-])CCCc1ccc(Br)cc1 ZINC000001673211 383921631 /nfs/dbraw/zinc/92/16/31/383921631.db2.gz AGIIMNQWNPUJPT-UHFFFAOYSA-N -1 0 243.100 2.856 50 0 BFAARM O=C([O-])CCCCCc1ccc(O)cc1 ZINC000001690863 383922965 /nfs/dbraw/zinc/92/29/65/383922965.db2.gz DQTMUMLMQOJHCI-UHFFFAOYSA-N -1 0 208.257 2.580 50 0 in-vitro BFAARM Cc1cc(C(=O)[O-])c2cccc(C)c2n1 ZINC000001304613 383894467 /nfs/dbraw/zinc/89/44/67/383894467.db2.gz CAWHKRVQNJNMNW-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM O=C([O-])Cc1cc(Cl)ccc1C(F)(F)F ZINC000002574971 383978360 /nfs/dbraw/zinc/97/83/60/383978360.db2.gz GINCGCMLTQDEJC-UHFFFAOYSA-N -1 0 238.592 2.986 50 0 BFAARM O=C([O-])/C=C/c1ccc(F)c(Cl)c1 ZINC000002575003 383978783 /nfs/dbraw/zinc/97/87/83/383978783.db2.gz OYFKFZBXVYKVCD-DUXPYHPUSA-N -1 0 200.596 2.577 50 0 BFAARM O=C([O-])Cc1cccc(-c2ccccc2)c1 ZINC000002014898 383944356 /nfs/dbraw/zinc/94/43/56/383944356.db2.gz VLQLJPWPRYUYMK-UHFFFAOYSA-N -1 0 212.248 2.981 50 0 BFAARM CCOc1cc2c(cc1/C=C/C(=O)[O-])CCC2 ZINC000098086249 383957304 /nfs/dbraw/zinc/95/73/04/383957304.db2.gz KIFLXQVUQSCYAS-VOTSOKGWSA-N -1 0 232.279 2.672 50 0 BFAARM O=C([O-])CCCc1ccc(Br)s1 ZINC000004219066 384048040 /nfs/dbraw/zinc/04/80/40/384048040.db2.gz FOXOELMEGCQMNO-UHFFFAOYSA-N -1 0 249.129 2.918 50 0 BFAARM Cc1nc(-c2cccs2)c(CC(=O)[O-])s1 ZINC000003886925 384031237 /nfs/dbraw/zinc/03/12/37/384031237.db2.gz SQRSWZAVFSYARR-UHFFFAOYSA-N -1 0 239.321 2.807 50 0 BFAARM O=C([O-])C[C@@H](c1ccccc1)n1cccc1 ZINC000004103911 384038166 /nfs/dbraw/zinc/03/81/66/384038166.db2.gz GLJWRQSFZOJOLE-LBPRGKRZSA-N -1 0 215.252 2.552 50 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/nfs/dbraw/zinc/81/63/75/322816375.db2.gz MEOZUDFNJHCVAF-UHFFFAOYSA-N -1 0 237.063 2.867 50 0 BFAARM CCOc1ccc(C(=O)[O-])cc1N1CCCCC1 ZINC000008703661 132319170 /nfs/dbraw/zinc/31/91/70/132319170.db2.gz ZQVFSUBNQLLUQI-UHFFFAOYSA-N -1 0 249.310 2.774 50 0 BFAARM CC[C@@H]1CCCCN1c1ncccc1C(=O)[O-] ZINC000037022193 132343349 /nfs/dbraw/zinc/34/33/49/132343349.db2.gz ILXVQASGYIXMJJ-SNVBAGLBSA-N -1 0 234.299 2.549 50 0 BFAARM CC[C@@H]1CCCCN1c1cc(C(=O)[O-])ccn1 ZINC000037022845 132343411 /nfs/dbraw/zinc/34/34/11/132343411.db2.gz VVQDHZVYZKKYIF-LLVKDONJSA-N -1 0 234.299 2.549 50 0 BFAARM COC(=S)[N-]c1ccc(Cl)cc1 ZINC000165469264 397752730 /nfs/dbraw/zinc/75/27/30/397752730.db2.gz JPPFKDRJECLIDS-UHFFFAOYSA-N -1 0 201.678 2.683 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000020392410 397964042 /nfs/dbraw/zinc/96/40/42/397964042.db2.gz WQKBKSZJAIBOED-IUCAKERBSA-N -1 0 241.084 2.637 50 0 BFAARM Cc1cc(Br)cc(C)c1C(=O)[O-] ZINC000019801600 177723272 /nfs/dbraw/zinc/72/32/72/177723272.db2.gz DJZAABLAECNINV-UHFFFAOYSA-N -1 0 229.073 2.764 50 0 BFAARM CC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000002565996 166445003 /nfs/dbraw/zinc/44/50/03/166445003.db2.gz FXSIZYWHUQEXPC-UHFFFAOYSA-N -1 0 205.040 2.902 50 0 BFAARM CCC(=O)c1c(C)n(CC(=O)[O-])c2ccccc21 ZINC000006658073 168253429 /nfs/dbraw/zinc/25/34/29/168253429.db2.gz SBCYFNRAOWOQQI-UHFFFAOYSA-N -1 0 245.278 2.627 50 0 BFAARM CCOC(=O)CCCCCCCCC(=O)[O-] ZINC000001684884 170198992 /nfs/dbraw/zinc/19/89/92/170198992.db2.gz DLZCDMPHHUODDO-UHFFFAOYSA-N -1 0 230.304 2.755 50 0 BFAARM CCOC(=O)C(=C([O-])c1ccccc1)C(C)C ZINC000002036452 170245495 /nfs/dbraw/zinc/24/54/95/170245495.db2.gz MYNNDDSZHBOSOL-GFCCVEGCSA-N -1 0 234.295 2.705 50 0 BFAARM CCOc1cc(C(=O)[O-])nc2c(C)cc(F)cc12 ZINC000070451516 170517755 /nfs/dbraw/zinc/51/77/55/170517755.db2.gz ICDRZOILUGBTGV-UHFFFAOYSA-N -1 0 249.241 2.779 50 0 BFAARM CCOc1ccc(C(=O)[O-])cc1Br ZINC000004837916 170538582 /nfs/dbraw/zinc/53/85/82/170538582.db2.gz XCKMWULLKHQZIP-UHFFFAOYSA-N -1 0 245.072 2.546 50 0 BFAARM CC[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000006728913 171255015 /nfs/dbraw/zinc/25/50/15/171255015.db2.gz LVYBDTKRVRCPBF-QMMMGPOBSA-N -1 0 235.283 2.678 50 0 BFAARM CCn1c(C)c(C)c2cc(C(=O)[O-])ccc21 ZINC000002389259 172134924 /nfs/dbraw/zinc/13/49/24/172134924.db2.gz JBWZIRYKBWGONS-UHFFFAOYSA-N -1 0 217.268 2.976 50 0 BFAARM CN(C)c1nc(-c2ccsc2)ccc1C(=O)[O-] ZINC000299780063 172576721 /nfs/dbraw/zinc/57/67/21/172576721.db2.gz QZWAJZYFYTXTJB-UHFFFAOYSA-N -1 0 248.307 2.574 50 0 BFAARM COc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC000045957403 174989006 /nfs/dbraw/zinc/98/90/06/174989006.db2.gz WBFXTOLYBVHEHR-UHFFFAOYSA-N -1 0 221.039 2.700 50 0 BFAARM COc1ccc(-c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000039289590 175032314 /nfs/dbraw/zinc/03/23/14/175032314.db2.gz OXHDNOVGUIWOET-UHFFFAOYSA-N -1 0 243.262 2.764 50 0 BFAARM COc1ccc(-c2nc(C(=O)[O-])cs2)cc1 ZINC000000168154 175039104 /nfs/dbraw/zinc/03/91/04/175039104.db2.gz OIBLFOXWCGIRIQ-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM COc1ccc(CCC(=O)[O-])c2ccccc12 ZINC000004938434 175088626 /nfs/dbraw/zinc/08/86/26/175088626.db2.gz OJXLYUHXBOTGIM-UHFFFAOYSA-N -1 0 230.263 2.866 50 0 in-vitro BFAARM COc1ccc(Nc2n[n-]c(=S)s2)cc1 ZINC000005324236 175156441 /nfs/dbraw/zinc/15/64/41/175156441.db2.gz JMXNPVYGYAIQJD-UHFFFAOYSA-N -1 0 239.325 2.953 50 0 BFAARM COc1cccc(-c2cccc(CC(=O)[O-])c2)c1 ZINC000002581007 175235251 /nfs/dbraw/zinc/23/52/51/175235251.db2.gz QJYWEINWHUVEEN-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM COc1ccccc1Nc1ncccc1C(=O)[O-] ZINC000003491487 175340079 /nfs/dbraw/zinc/34/00/79/175340079.db2.gz BEXZOAJWOZFOSM-UHFFFAOYSA-N -1 0 244.250 2.532 50 0 BFAARM CSc1ccc(Cl)cc1C(=O)[O-] ZINC000002529364 175576532 /nfs/dbraw/zinc/57/65/32/175576532.db2.gz DHFONUYVBAIUFH-UHFFFAOYSA-N -1 0 202.662 2.760 50 0 BFAARM C[C@@H](SC(=S)c1ccccc1)C(=O)[O-] ZINC000040848126 176006919 /nfs/dbraw/zinc/00/69/19/176006919.db2.gz HPSQKMAZWIIJBT-SSDOTTSWSA-N -1 0 226.322 2.568 50 0 BFAARM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000014806725 177022242 /nfs/dbraw/zinc/02/22/42/177022242.db2.gz ZZCGVEYHZSLNKD-LURJTMIESA-N -1 0 234.173 2.557 50 0 BFAARM C[C@H](Oc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000019277618 177022713 /nfs/dbraw/zinc/02/27/13/177022713.db2.gz GFKYDDFOEVZSRF-JTQLQIEISA-N -1 0 243.262 2.920 50 0 BFAARM C[C@H](Oc1ccc(F)cc1)c1n[n-]c(=S)o1 ZINC000004200346 177023059 /nfs/dbraw/zinc/02/30/59/177023059.db2.gz XLJXMEMTIHCCGG-LURJTMIESA-N -1 0 240.259 2.637 50 0 BFAARM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC000021953088 177023156 /nfs/dbraw/zinc/02/31/56/177023156.db2.gz KANKFINQYMYIRL-VIFPVBQESA-N -1 0 222.284 2.836 50 0 BFAARM Cc1c(F)ccc(CC(=O)[O-])c1C(F)(F)F ZINC000098210811 177606689 /nfs/dbraw/zinc/60/66/89/177606689.db2.gz JAPLYLYVMZKVSV-UHFFFAOYSA-N -1 0 236.164 2.780 50 0 BFAARM O=C(C=C([O-])c1ccc(Cl)cc1)C(F)F ZINC000100497222 487945825 /nfs/dbraw/zinc/94/58/25/487945825.db2.gz NVMGOZSUUFWNLY-UHFFFAOYSA-N -1 0 232.613 2.747 50 0 BFAARM CCCOc1nc2ccccc2cc1C(=O)[O-] ZINC000037025623 488004941 /nfs/dbraw/zinc/00/49/41/488004941.db2.gz OKXRKSVCQCZTEZ-UHFFFAOYSA-N -1 0 231.251 2.722 50 0 BFAARM O=C([O-])c1cccc(C2(CO)CCCCC2)c1 ZINC000256046115 526388737 /nfs/dbraw/zinc/38/87/37/526388737.db2.gz CUAHCMAJXHRGQA-UHFFFAOYSA-N -1 0 234.295 2.579 50 0 BFAARM CC[C@H](C)C(=O)C=C([O-])c1ccoc1C ZINC000393746137 582922240 /nfs/dbraw/zinc/92/22/40/582922240.db2.gz ORGIWLZYUYPDOG-QMMMGPOBSA-N -1 0 208.257 2.776 50 0 BFAARM CC[C@@H](C)C(=O)C=C([O-])c1ccoc1C ZINC000393746136 582922196 /nfs/dbraw/zinc/92/21/96/582922196.db2.gz ORGIWLZYUYPDOG-MRVPVSSYSA-N -1 0 208.257 2.776 50 0 BFAARM O=C([O-])c1ccc(-c2noc(C3CCC3)n2)cc1 ZINC000041721989 582687787 /nfs/dbraw/zinc/68/77/87/582687787.db2.gz HSZFMLAJYFXFPJ-UHFFFAOYSA-N -1 0 244.250 2.702 50 0 BFAARM CCCC(=O)C=C([O-])c1cccc(F)c1 ZINC000042413567 582703193 /nfs/dbraw/zinc/70/31/93/582703193.db2.gz VBLSDUHYCSYBPL-UHFFFAOYSA-N -1 0 208.232 2.768 50 0 BFAARM CCCC(=O)C=C([O-])c1ccccc1F ZINC000042413568 582703488 /nfs/dbraw/zinc/70/34/88/582703488.db2.gz SUHCIOCFKZWVOJ-UHFFFAOYSA-N -1 0 208.232 2.768 50 0 BFAARM O=C([O-])/C=C1\CCC[C@@H](C(F)(F)F)C1 ZINC000212666078 591422369 /nfs/dbraw/zinc/42/23/69/591422369.db2.gz IHTSSULWRABKPS-WEWAHIQMSA-N -1 0 208.179 2.750 50 0 BFAARM CC(=O)c1c(C)cc(C)c(C(=O)[O-])c1C ZINC000000185061 642750808 /nfs/dbraw/zinc/75/08/08/642750808.db2.gz BTOFJUUSHPHYSU-UHFFFAOYSA-N -1 0 206.241 2.513 50 0 BFAARM CCCC(=O)c1ccc([O-])c(F)c1F ZINC000088120944 644509679 /nfs/dbraw/zinc/50/96/79/644509679.db2.gz VOIPTBWDLJXJOA-UHFFFAOYSA-N -1 0 200.184 2.653 50 0 BFAARM O=C([O-])[C@H]1CCC[C@H]1C(=O)c1ccc(F)cc1 ZINC000002574410 978599291 /nfs/dbraw/zinc/59/92/91/978599291.db2.gz NHQQJKKAHSUBRB-MNOVXSKESA-N -1 0 236.242 2.509 50 0 BFAARM CCc1ccccc1C(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000002574475 978600936 /nfs/dbraw/zinc/60/09/36/978600936.db2.gz MYSXYDPFDGUBOD-STQMWFEESA-N -1 0 246.306 2.933 50 0 BFAARM Cc1cc(C)cc(OCCCC(=O)[O-])c1 ZINC000001871157 177911762 /nfs/dbraw/zinc/91/17/62/177911762.db2.gz IOZUQIUNWVMZDN-UHFFFAOYSA-N -1 0 208.257 2.547 50 0 BFAARM Cc1cc(C(=O)CN2CCCCC2)cc(C)c1O ZINC000071289244 398145664 /nfs/dbraw/zinc/14/56/64/398145664.db2.gz ZPLAVZIYVWQJAQ-UHFFFAOYSA-N -1 0 247.338 2.678 50 0 BFAARM CCC(CC)(Cc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000020284331 168329807 /nfs/dbraw/zinc/32/98/07/168329807.db2.gz ZHYFUCWUPRPUDQ-UHFFFAOYSA-N -1 0 246.310 2.996 50 0 BFAARM Cc1ccc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000062948293 349502074 /nfs/dbraw/zinc/50/20/74/349502074.db2.gz MUICUVKGSWOGCC-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1cc(NC(=O)C2CCCC2)ccc1C(=O)[O-] ZINC000044749778 178125991 /nfs/dbraw/zinc/12/59/91/178125991.db2.gz PQZDKJGCDVTWMD-UHFFFAOYSA-N -1 0 247.294 2.822 50 0 BFAARM Cc1cc2cc(C(=O)[O-])cnc2cc1C ZINC000032099533 178294222 /nfs/dbraw/zinc/29/42/22/178294222.db2.gz PJSIIXYYIBFANC-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM Cc1ccc(-c2nc(=S)s[n-]2)cc1 ZINC000034144114 178345154 /nfs/dbraw/zinc/34/51/54/178345154.db2.gz MHNHCQORCOGCHT-UHFFFAOYSA-N -1 0 208.311 2.802 50 0 BFAARM Cc1ccc(-n2cc(CCC(=O)[O-])cn2)c(C)c1 ZINC000067741264 178345547 /nfs/dbraw/zinc/34/55/47/178345547.db2.gz NEZZPWYHPZWAIA-UHFFFAOYSA-N -1 0 244.294 2.506 50 0 BFAARM O=C([O-])c1ccc2c(ccnc2Cl)c1 ZINC000081990530 398271738 /nfs/dbraw/zinc/27/17/38/398271738.db2.gz VUYRQFWSJKHQLA-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CC(C)Cc1ccc(/C=C/C(=O)[O-])cc1 ZINC000000153708 342677478 /nfs/dbraw/zinc/67/74/78/342677478.db2.gz FFVQPPLMTMUAQD-BQYQJAHWSA-N -1 0 204.269 2.983 50 0 BFAARM Cc1c(C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000000159618 342678093 /nfs/dbraw/zinc/67/80/93/342678093.db2.gz OAPQKGGVDCZENK-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM CC[C@@H](C)Sc1n[n-]c(=S)s1 ZINC000000163500 342678679 /nfs/dbraw/zinc/67/86/79/342678679.db2.gz APLQCUQNHPBMRZ-SCSAIBSYSA-N -1 0 206.361 2.717 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(F)cc2)o1 ZINC000000174041 342679286 /nfs/dbraw/zinc/67/92/86/342679286.db2.gz CEPXYOAURAQQGM-UHFFFAOYSA-N -1 0 206.172 2.784 50 0 BFAARM O=C([O-])c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000000196419 342679750 /nfs/dbraw/zinc/67/97/50/342679750.db2.gz BQKXFNQLZLSSEP-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM O=C([O-])[C@@H]1CC=CC[C@@H]1Cc1ccccc1 ZINC000000342277 342684153 /nfs/dbraw/zinc/68/41/53/342684153.db2.gz SLIBOSUXKGDWRP-CHWSQXEVSA-N -1 0 216.280 2.896 50 0 biogenic BFAARM O=C([O-])[C@H]1CC=CC[C@@H]1Cc1ccccc1 ZINC000000342280 342684179 /nfs/dbraw/zinc/68/41/79/342684179.db2.gz SLIBOSUXKGDWRP-OLZOCXBDSA-N -1 0 216.280 2.896 50 0 biogenic BFAARM Cc1cc(C(=O)CCC(=O)[O-])c(C)c(C)c1C ZINC000000394863 342686083 /nfs/dbraw/zinc/68/60/83/342686083.db2.gz FETHMOCFGLPGGZ-UHFFFAOYSA-N -1 0 234.295 2.968 50 0 BFAARM CCCc1cc(C(=O)[O-])c2ccccc2n1 ZINC000000406244 342686947 /nfs/dbraw/zinc/68/69/47/342686947.db2.gz GHWNIFKWPIVEPC-UHFFFAOYSA-N -1 0 215.252 2.886 50 0 BFAARM O=C([O-])c1ncsc1-c1ccccc1 ZINC000000542852 342689818 /nfs/dbraw/zinc/68/98/18/342689818.db2.gz BIIMZWZUYMBFEV-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM [O-]c1c(F)cc(Br)cc1Cl ZINC000002382135 342719410 /nfs/dbraw/zinc/71/94/10/342719410.db2.gz QEYONPKSDTUPAX-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM Nc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000004245535 342745480 /nfs/dbraw/zinc/74/54/80/342745480.db2.gz RQKFSJNOPKCEJI-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM Cc1cc(C(=O)CCC(=O)[O-])ccc1Cl ZINC000004253068 342745614 /nfs/dbraw/zinc/74/56/14/342745614.db2.gz HECCMMXKNZDUIU-UHFFFAOYSA-N -1 0 226.659 2.696 50 0 BFAARM COC(=S)[N-]c1cccc(Cl)c1 ZINC000004336109 342746674 /nfs/dbraw/zinc/74/66/74/342746674.db2.gz JOPMUACMWAYNDN-UHFFFAOYSA-N -1 0 201.678 2.683 50 0 BFAARM CCc1c(C)nn(-c2ccc(C(=O)[O-])cc2)c1C ZINC000004384461 342747449 /nfs/dbraw/zinc/74/74/49/342747449.db2.gz GHFKRELXCJQVNP-UHFFFAOYSA-N -1 0 244.294 2.750 50 0 BFAARM CCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000004506906 342748236 /nfs/dbraw/zinc/74/82/36/342748236.db2.gz JXUMPBGCXKTRIJ-UHFFFAOYSA-N -1 0 241.674 2.777 50 0 BFAARM CCN(C(=S)[S-])C1CCCCC1 ZINC000002510340 342721706 /nfs/dbraw/zinc/72/17/06/342721706.db2.gz LAYHGEVCXKHWPT-UHFFFAOYSA-N -1 0 203.376 2.856 50 0 BFAARM Cc1ccc(Cl)c(O[C@H](C)C(=O)[O-])c1 ZINC000002526124 342722413 /nfs/dbraw/zinc/72/24/13/342722413.db2.gz FYAUPTBCTGCOAA-SSDOTTSWSA-N -1 0 214.648 2.500 50 0 BFAARM O=C([O-])c1csc(Nc2ccccc2)n1 ZINC000002528918 342722834 /nfs/dbraw/zinc/72/28/34/342722834.db2.gz NFVZOGAQSIUAJP-UHFFFAOYSA-N -1 0 220.253 2.585 50 0 BFAARM Cc1c(C(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000002532530 342723175 /nfs/dbraw/zinc/72/31/75/342723175.db2.gz KGGIPUUYWUXTSR-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM C[C@H](C(=O)[O-])c1ccc2cc(O)ccc2c1 ZINC000002570852 342724662 /nfs/dbraw/zinc/72/46/62/342724662.db2.gz XWJUDDGELKXYNO-QMMMGPOBSA-N -1 0 216.236 2.734 50 0 endogenous,world BFAARM CCc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579938 342725480 /nfs/dbraw/zinc/72/54/80/342725480.db2.gz FWKMYWRTBXKGBU-UHFFFAOYSA-N -1 0 220.268 2.687 50 0 BFAARM O=S(=O)([O-])c1cc2cc3ccccc3cc2[nH]1 ZINC000003129401 342730825 /nfs/dbraw/zinc/73/08/25/342730825.db2.gz SQVBYTOZJHCHRJ-UHFFFAOYSA-N -1 0 247.275 2.568 50 0 BFAARM CC(C)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000005413891 342763359 /nfs/dbraw/zinc/76/33/59/342763359.db2.gz JXJXZYKBWQRTIO-UHFFFAOYSA-N -1 0 235.283 2.613 50 0 BFAARM CN(CC1CCCCC1)c1cc(C(=O)[O-])ccn1 ZINC000042495529 342776490 /nfs/dbraw/zinc/77/64/90/342776490.db2.gz IWNADJGXNBHFEQ-UHFFFAOYSA-N -1 0 248.326 2.796 50 0 BFAARM CCCc1c(C(=O)[O-])cnn1-c1ccccc1C ZINC000006774738 342782896 /nfs/dbraw/zinc/78/28/96/342782896.db2.gz IFAZQBJFNXWODZ-UHFFFAOYSA-N -1 0 244.294 2.831 50 0 BFAARM O=C(c1nc2ccccc2[nH]1)c1ccccc1 ZINC000009560697 342821005 /nfs/dbraw/zinc/82/10/05/342821005.db2.gz RZMKWQVADPIKCJ-UHFFFAOYSA-N -1 0 222.247 2.794 50 0 BFAARM Cc1ccc2[nH]c(C)c(CCC(=O)[O-])c(=O)c2c1 ZINC000008733422 342803922 /nfs/dbraw/zinc/80/39/22/342803922.db2.gz OXEYVHJLRAYPRX-UHFFFAOYSA-N -1 0 245.278 2.574 50 0 biogenic BFAARM CCCCC(=O)c1cc2ccc([O-])cc2oc1=O ZINC000008733319 342804113 /nfs/dbraw/zinc/80/41/13/342804113.db2.gz HNGFGKVOBTXCOZ-UHFFFAOYSA-N -1 0 246.262 2.872 50 0 BFAARM CCC(C)(C)c1ccc([S@@](=O)[O-])cc1 ZINC000059992491 539014588 /nfs/dbraw/zinc/01/45/88/539014588.db2.gz UQUOPXUAOMBGDA-UHFFFAOYSA-N -1 0 212.314 2.955 50 0 BFAARM O=C([O-])[C@@H](Oc1ccccc1)c1ccccc1 ZINC000011955616 342845228 /nfs/dbraw/zinc/84/52/28/342845228.db2.gz ABUKMOCUMIPDHV-ZDUSSCGKSA-N -1 0 228.247 2.891 50 0 BFAARM O=C([O-])c1cc(Cl)cc(OC(F)(F)F)c1 ZINC000012359183 342849844 /nfs/dbraw/zinc/84/98/44/342849844.db2.gz KVXQRRFQLRUCKN-UHFFFAOYSA-N -1 0 240.564 2.937 50 0 BFAARM O=C([O-])c1cccn1-c1ccccc1Cl ZINC000012404844 342851418 /nfs/dbraw/zinc/85/14/18/342851418.db2.gz OTBQOZUNNISRGK-UHFFFAOYSA-N -1 0 221.643 2.829 50 0 BFAARM CC1(C)C[C@@]1(C(=O)[O-])c1ccc(F)cc1 ZINC000019088840 342941399 /nfs/dbraw/zinc/94/13/99/342941399.db2.gz RIOYANNPRFBSNF-LBPRGKRZSA-N -1 0 208.232 2.578 50 0 BFAARM CN(c1cc(C(=O)[O-])ccn1)C1CCCCC1 ZINC000019844970 342959857 /nfs/dbraw/zinc/95/98/57/342959857.db2.gz ULGMMHHQRFJKHC-UHFFFAOYSA-N -1 0 234.299 2.549 50 0 BFAARM CC(C)c1noc(-c2ccccc2C(=O)[O-])n1 ZINC000020593840 342991950 /nfs/dbraw/zinc/99/19/50/342991950.db2.gz HZJVKRDRINUWGW-UHFFFAOYSA-N -1 0 232.239 2.558 50 0 BFAARM O=C([O-])c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000020281000 342980048 /nfs/dbraw/zinc/98/00/48/342980048.db2.gz FOJBKFGWDZMUCC-UHFFFAOYSA-N -1 0 245.156 2.765 50 0 BFAARM CC(C)COc1ccccc1/C=C/C(=O)[O-] ZINC000020329002 342981990 /nfs/dbraw/zinc/98/19/90/342981990.db2.gz KKURTRYDLPTKFV-BQYQJAHWSA-N -1 0 220.268 2.819 50 0 BFAARM O=C([O-])c1conc1-c1ccc(Cl)cc1 ZINC000020440866 342985371 /nfs/dbraw/zinc/98/53/71/342985371.db2.gz MKYNJVCSVZKIHU-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM Cn1c(C(=O)[O-])cc2cccc(Cl)c21 ZINC000021953391 343029575 /nfs/dbraw/zinc/02/95/75/343029575.db2.gz COSBSGFCSJQBSG-UHFFFAOYSA-N -1 0 209.632 2.530 50 0 BFAARM O=C([O-])c1cc(-c2cc3ccccc3o2)on1 ZINC000022699171 343052852 /nfs/dbraw/zinc/05/28/52/343052852.db2.gz AXRZCYGMDFWOCC-UHFFFAOYSA-N -1 0 229.191 2.786 50 0 BFAARM Cc1ccnc(Oc2ccc(C(=O)[O-])cc2)c1 ZINC000044427912 343075527 /nfs/dbraw/zinc/07/55/27/343075527.db2.gz KABLXVCURVWGHH-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM O=C([O-])c1ccc2cccc(C(F)(F)F)c2n1 ZINC000026460667 343105707 /nfs/dbraw/zinc/10/57/07/343105707.db2.gz RLUWEWVQVYDBHB-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM CC(C)N(C(=O)c1ccc(C(=O)[O-])cc1)C(C)C ZINC000000208654 187244013 /nfs/dbraw/zinc/24/40/13/187244013.db2.gz MUYTWWHRSSSWGD-UHFFFAOYSA-N -1 0 249.310 2.644 50 0 BFAARM Cc1cccc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000002574454 187246267 /nfs/dbraw/zinc/24/62/67/187246267.db2.gz LCRAIEWQRNEROC-VXGBXAGGSA-N -1 0 232.279 2.679 50 0 BFAARM O=C([O-])c1[nH]c2ccccc2c1Br ZINC000003201434 187246418 /nfs/dbraw/zinc/24/64/18/187246418.db2.gz KOTZNHLNBDTYMS-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM O=[S@]([O-])c1ccc(Cl)c(Cl)c1 ZINC000031778268 343224326 /nfs/dbraw/zinc/22/43/26/343224326.db2.gz FHHQIPYFDOVBIO-UHFFFAOYSA-N -1 0 211.069 2.574 50 0 BFAARM Cc1ccc(Cl)c2cc(C(=O)[O-])cnc12 ZINC000032099513 343229564 /nfs/dbraw/zinc/22/95/64/343229564.db2.gz CMJTVPDKPRZDHT-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM Cc1ccc2cc(C(=O)[O-])c(C)nc2c1C ZINC000032099227 343229645 /nfs/dbraw/zinc/22/96/45/343229645.db2.gz KNGACCJHYQQKRJ-UHFFFAOYSA-N -1 0 215.252 2.858 50 0 BFAARM S=c1[nH]c2ccccc2nc1N1CCCC1 ZINC000012176829 187250178 /nfs/dbraw/zinc/25/01/78/187250178.db2.gz SEQUUAVJVHVHJT-UHFFFAOYSA-N -1 0 231.324 2.519 50 0 BFAARM O=C([O-])c1cc2c(n1Cc1ccccc1)CCC2 ZINC000034147153 343265540 /nfs/dbraw/zinc/26/55/40/343265540.db2.gz OTBPAULHOBIMNN-UHFFFAOYSA-N -1 0 241.290 2.723 50 0 BFAARM CCN(c1ncccc1C(=O)[O-])C1CCCCC1 ZINC000019845011 187252778 /nfs/dbraw/zinc/25/27/78/187252778.db2.gz ZGPLSHBOQNETHB-UHFFFAOYSA-N -1 0 248.326 2.939 50 0 BFAARM CO[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000034583680 343275462 /nfs/dbraw/zinc/27/54/62/343275462.db2.gz OQVFHDWREDKUCW-GFCCVEGCSA-N -1 0 216.236 2.612 50 0 BFAARM Cc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000034613497 343275920 /nfs/dbraw/zinc/27/59/20/343275920.db2.gz UVYLHKYEIBAKAI-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])c1csc(-c2ccc(F)c(F)c2)n1 ZINC000036888301 343326247 /nfs/dbraw/zinc/32/62/47/343326247.db2.gz GBWFVHNWUPDSPM-UHFFFAOYSA-N -1 0 241.218 2.787 50 0 BFAARM CC(C)n1c2ccccc2nc1CCC(=O)[O-] ZINC000036895863 343326828 /nfs/dbraw/zinc/32/68/28/343326828.db2.gz UBPOIEQJXKBXOG-UHFFFAOYSA-N -1 0 232.283 2.634 50 0 BFAARM Cc1ccc(CCC(=O)[O-])c(Br)c1 ZINC000036205458 343312095 /nfs/dbraw/zinc/31/20/95/343312095.db2.gz YOZNOKVYPIBZHS-UHFFFAOYSA-N -1 0 243.100 2.775 50 0 BFAARM Cc1cc(CCC(=O)[O-])cc(OC(F)(F)F)c1 ZINC000038529744 343375965 /nfs/dbraw/zinc/37/59/65/343375965.db2.gz LEZTWHDBDSJSTN-UHFFFAOYSA-N -1 0 248.200 2.911 50 0 BFAARM Cc1ccc(CC(=O)[O-])cc1C(F)(F)F ZINC000038529700 343375996 /nfs/dbraw/zinc/37/59/96/343375996.db2.gz GDCOLUWREQNZSM-UHFFFAOYSA-N -1 0 218.174 2.641 50 0 BFAARM CCOc1c(F)cc(C(=O)[O-])cc1Cl ZINC000038529974 343376529 /nfs/dbraw/zinc/37/65/29/343376529.db2.gz UZGWOMNUSFRIRW-UHFFFAOYSA-N -1 0 218.611 2.576 50 0 BFAARM CCc1c(C)nn(-c2cccc(C(=O)[O-])c2)c1C ZINC000040419813 343402544 /nfs/dbraw/zinc/40/25/44/343402544.db2.gz ZRWXRQUSQLYWAS-UHFFFAOYSA-N -1 0 244.294 2.750 50 0 BFAARM Cc1ccc(Nc2ncccc2C(=O)[O-])c(F)c1 ZINC000013090638 343408213 /nfs/dbraw/zinc/40/82/13/343408213.db2.gz HMFOYABWTCJSDE-UHFFFAOYSA-N -1 0 246.241 2.971 50 0 BFAARM CC(C)(Cc1cccc(Cl)c1)C(=O)[O-] ZINC000041226478 343417287 /nfs/dbraw/zinc/41/72/87/343417287.db2.gz LAMMJZDDAHXYRQ-UHFFFAOYSA-N -1 0 212.676 2.993 50 0 BFAARM C/C(=C\c1ccc(Br)o1)C(=O)[O-] ZINC000044221916 343496196 /nfs/dbraw/zinc/49/61/96/343496196.db2.gz ZGINPILGQVOXTL-SNAWJCMRSA-N -1 0 231.045 2.530 50 0 BFAARM Cc1c(F)cccc1C(=O)C[C@@H](C)CC(=O)[O-] ZINC000043214316 343466257 /nfs/dbraw/zinc/46/62/57/343466257.db2.gz OFHJPQDOXOQPBW-MRVPVSSYSA-N -1 0 238.258 2.818 50 0 BFAARM S=c1[n-]c2ccc(Br)cc2o1 ZINC000045328682 343528246 /nfs/dbraw/zinc/52/82/46/343528246.db2.gz LKVJXYIGFOTPGN-UHFFFAOYSA-N -1 0 230.086 2.879 50 0 BFAARM O=C([O-])c1cc(-c2cccc(F)c2)ccn1 ZINC000047204935 343559185 /nfs/dbraw/zinc/55/91/85/343559185.db2.gz AERDHBOHFVRFQN-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM CC(C(=O)C(C)C)=C([O-])c1cccs1 ZINC000112750690 537822984 /nfs/dbraw/zinc/82/29/84/537822984.db2.gz DRMWZEWTKIYQGK-QMMMGPOBSA-N -1 0 210.298 2.792 50 0 BFAARM CCCCOc1cc(F)c(CC(=O)[O-])c(F)c1 ZINC000091252018 344278928 /nfs/dbraw/zinc/27/89/28/344278928.db2.gz BOYCWRRKHQPVRH-UHFFFAOYSA-N -1 0 244.237 2.771 50 0 BFAARM Cc1onc(-c2cccc(F)c2F)c1C(=O)[O-] ZINC000070535705 537868502 /nfs/dbraw/zinc/86/85/02/537868502.db2.gz UHDAVODHAJFKFJ-UHFFFAOYSA-N -1 0 239.177 2.626 50 0 BFAARM Cc1ncccc1-c1ccc(C(=O)[O-])cc1 ZINC000715222696 537869062 /nfs/dbraw/zinc/86/90/62/537869062.db2.gz WBZAYUFVABWZLW-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1[nH]c2c(ccc(C)c2C)c1CC(=O)[O-] ZINC000001848249 178940003 /nfs/dbraw/zinc/94/00/03/178940003.db2.gz ULGYSCIYCHOGKV-UHFFFAOYSA-N -1 0 217.268 2.720 50 0 BFAARM O=Cc1cc(Br)cc(F)c1[S-] ZINC000669371974 537948692 /nfs/dbraw/zinc/94/86/92/537948692.db2.gz DYOCEJGHSJMHQG-UHFFFAOYSA-N -1 0 235.077 2.689 50 0 BFAARM Cc1cccc(-c2nc(=S)s[n-]2)c1 ZINC000036657787 178999922 /nfs/dbraw/zinc/99/99/22/178999922.db2.gz YLHVXGNPRSIQOW-UHFFFAOYSA-N -1 0 208.311 2.802 50 0 BFAARM Cc1cccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000043878950 179026815 /nfs/dbraw/zinc/02/68/15/179026815.db2.gz UFNJUVMSAIPJJH-NWDGAFQWSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1cccc(Cn2cccc2/C=C/C(=O)[O-])c1 ZINC000032918817 179109343 /nfs/dbraw/zinc/10/93/43/179109343.db2.gz JFCGKODPHRSAMQ-BQYQJAHWSA-N -1 0 241.290 2.943 50 0 BFAARM CC1(C)CC[C@H](CCCC(=O)[O-])C(=O)C1 ZINC000004797077 346607384 /nfs/dbraw/zinc/60/73/84/346607384.db2.gz LNJXELCPVZIKTE-VIFPVBQESA-N -1 0 212.289 2.637 50 0 BFAARM O=C([O-])[C@H]1CCc2ccc(Br)cc21 ZINC000039206436 346745574 /nfs/dbraw/zinc/74/55/74/346745574.db2.gz RMVRCSOJMLGDAG-QMMMGPOBSA-N -1 0 241.084 2.564 50 0 BFAARM O=C([O-])c1ccc2oc(N3CCCCC3)nc2c1 ZINC000095629429 348832452 /nfs/dbraw/zinc/83/24/52/348832452.db2.gz AFGHZIQUPYRPAA-UHFFFAOYSA-N -1 0 246.266 2.516 50 0 BFAARM Cc1cccc2cc(C(=O)[O-])c(C)nc12 ZINC000003055710 180063820 /nfs/dbraw/zinc/06/38/20/180063820.db2.gz KSHMZYLTYHXCHB-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM Cc1nc2ccccc2nc1SCCC(=O)[O-] ZINC000055368335 180105329 /nfs/dbraw/zinc/10/53/29/180105329.db2.gz BQCWMLIXQKHSOM-UHFFFAOYSA-N -1 0 248.307 2.505 50 0 BFAARM Cc1cc(C=O)ccc1-c1ccc(C(=O)[O-])o1 ZINC000725261015 538085848 /nfs/dbraw/zinc/08/58/48/538085848.db2.gz GBRABRYKZDDTAS-UHFFFAOYSA-N -1 0 230.219 2.766 50 0 BFAARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C ZINC000100072186 180328525 /nfs/dbraw/zinc/32/85/25/180328525.db2.gz UBYWOWIZWRMSTD-UHFFFAOYSA-N -1 0 222.675 2.848 50 0 BFAARM CN(C)c1cccc2sc(C(=O)[O-])cc21 ZINC000218508369 538092528 /nfs/dbraw/zinc/09/25/28/538092528.db2.gz HMZFJSVULCAVRH-UHFFFAOYSA-N -1 0 221.281 2.666 50 0 BFAARM CCCCC(=O)c1c([O-])c2ccccc2oc1=O ZINC000003957296 168630498 /nfs/dbraw/zinc/63/04/98/168630498.db2.gz UOUQUFVBCJNHNY-UHFFFAOYSA-N -1 0 246.262 2.872 50 0 BFAARM [O-]N=C(Cl)c1cccc(Br)c1 ZINC000256917578 351039368 /nfs/dbraw/zinc/03/93/68/351039368.db2.gz PYTGMMRJSZMTOA-UHFFFAOYSA-N -1 0 234.480 2.824 50 0 BFAARM CC(=O)CCc1ccc2oc(C(=O)[O-])c(C)c2c1 ZINC000003272771 187584854 /nfs/dbraw/zinc/58/48/54/187584854.db2.gz PYHSYRSHFJFFRS-UHFFFAOYSA-N -1 0 246.262 2.961 50 0 BFAARM O=C([O-])c1[nH]c2ccccc2c1-c1ccccn1 ZINC000042784254 187604954 /nfs/dbraw/zinc/60/49/54/187604954.db2.gz OPFPUKYSQYOGCI-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM O=S(=O)([O-])c1ccc(Nc2ccccc2)cc1 ZINC000001688381 188274114 /nfs/dbraw/zinc/27/41/14/188274114.db2.gz HYKDWGUFDOYDGV-UHFFFAOYSA-N -1 0 249.291 2.677 50 0 BFAARM CC(C)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000001686752 188274199 /nfs/dbraw/zinc/27/41/99/188274199.db2.gz CRTBQADLERFRSD-UHFFFAOYSA-N -1 0 220.268 2.858 50 0 BFAARM Cc1cccc(OCc2nc(C(=O)[O-])cs2)c1 ZINC000072228387 188307093 /nfs/dbraw/zinc/30/70/93/188307093.db2.gz VLTPSFHFYPHFND-UHFFFAOYSA-N -1 0 249.291 2.729 50 0 BFAARM Cc1c(F)c(C(=O)[O-])ccc1Br ZINC000098209961 188322308 /nfs/dbraw/zinc/32/23/08/188322308.db2.gz PIMDCUNZRUXGME-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM S=c1nc(Cc2ccc(Cl)cc2)[n-]o1 ZINC000061881091 188360399 /nfs/dbraw/zinc/36/03/99/188360399.db2.gz NJIXRTGYKWNDNR-UHFFFAOYSA-N -1 0 226.688 2.603 50 0 BFAARM CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)[O-] ZINC000003978812 168740172 /nfs/dbraw/zinc/74/01/72/168740172.db2.gz PQEYTAGBXNEUQL-ZJUUUORDSA-N -1 0 212.289 2.637 50 0 endogenous,in-man BFAARM CO[C@H](C(=O)[O-])c1cc2ccccc2s1 ZINC000005915178 355684368 /nfs/dbraw/zinc/68/43/68/355684368.db2.gz WWYVPFAQWGLBTR-JTQLQIEISA-N -1 0 222.265 2.673 50 0 BFAARM COc1ccc(C(=O)c2ccccc2)c([O-])c1 ZINC000000136138 355892867 /nfs/dbraw/zinc/89/28/67/355892867.db2.gz DXGLGDHPHMLXJC-UHFFFAOYSA-N -1 0 228.247 2.632 50 0 fda BFAARM Cc1ccc(CCC(=O)[O-])cc1Br ZINC000036205455 356367894 /nfs/dbraw/zinc/36/78/94/356367894.db2.gz ZNBGBVAIIXSMHG-UHFFFAOYSA-N -1 0 243.100 2.775 50 0 BFAARM O=Cc1c([S-])cccc1Br ZINC000218734990 538469257 /nfs/dbraw/zinc/46/92/57/538469257.db2.gz NPCYEEHJMQUPOK-UHFFFAOYSA-N -1 0 217.087 2.550 50 0 BFAARM O=C([O-])c1c(-c2ccco2)noc1C1CC1 ZINC000675057553 538480222 /nfs/dbraw/zinc/48/02/22/538480222.db2.gz IQVYYFJPLRKCAX-UHFFFAOYSA-N -1 0 219.196 2.510 50 0 BFAARM CC(C)c1onc(-c2cccn2C)c1C(=O)[O-] ZINC000675057823 538480645 /nfs/dbraw/zinc/48/06/45/538480645.db2.gz QBDRWKMFKVXMFY-UHFFFAOYSA-N -1 0 234.255 2.502 50 0 BFAARM O=[S@]([O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000675059228 538484433 /nfs/dbraw/zinc/48/44/33/538484433.db2.gz DQUDFSLKSITMGA-UHFFFAOYSA-N -1 0 230.288 2.838 50 0 BFAARM C[C@@H]1C[C@H]([C@H](F)C(=O)[O-])CC(C)(C)C1 ZINC000088157436 538572342 /nfs/dbraw/zinc/57/23/42/538572342.db2.gz JEGHILZSWHCDQW-VGMNWLOBSA-N -1 0 202.269 2.872 50 0 BFAARM Cc1cccc(C([O-])=CC(=O)C(C)C)c1 ZINC000132627571 538600622 /nfs/dbraw/zinc/60/06/22/538600622.db2.gz LFBDGUHOUXLCTE-UHFFFAOYSA-N -1 0 204.269 2.793 50 0 BFAARM COc1cc(C)c(C)cc1CCCC(=O)[O-] ZINC000036161097 359660840 /nfs/dbraw/zinc/66/08/40/359660840.db2.gz HSQMDIICTFCUHM-UHFFFAOYSA-N -1 0 222.284 2.719 50 0 BFAARM CCCCCCc1ccc(C(=O)[O-])nc1 ZINC000003065716 367810198 /nfs/dbraw/zinc/81/01/98/367810198.db2.gz LRVWMFHQTPNPJY-UHFFFAOYSA-N -1 0 207.273 2.903 50 0 biogenic BFAARM C[C@@]12C=C(Br)[C@@H]1CC[C@]2(C)C(=O)[O-] ZINC000043440246 368332453 /nfs/dbraw/zinc/33/24/53/368332453.db2.gz XVYWNXXKUFDIRD-WQGWLQIFSA-N -1 0 245.116 2.786 50 0 biogenic BFAARM Cc1noc(C)c1-c1cccc(C(=O)[O-])c1 ZINC000065339727 368380970 /nfs/dbraw/zinc/38/09/70/368380970.db2.gz IKHBCIWCIAFXCH-UHFFFAOYSA-N -1 0 217.224 2.657 50 0 BFAARM COc1c(C(=O)[O-])cc(F)c2ccccc21 ZINC000113932571 368386291 /nfs/dbraw/zinc/38/62/91/368386291.db2.gz GUPJNLSSYVNWCY-UHFFFAOYSA-N -1 0 220.199 2.686 50 0 BFAARM Cc1sc(CC(=O)[O-])nc1-c1ccccc1 ZINC000020432912 371280339 /nfs/dbraw/zinc/28/03/39/371280339.db2.gz KRFZUIHBCNGEMN-UHFFFAOYSA-N -1 0 233.292 2.746 50 0 BFAARM O=C([O-])c1cc2ccoc2n1Cc1ccccc1 ZINC000039929948 373062355 /nfs/dbraw/zinc/06/23/55/373062355.db2.gz OKACXVYOWZNEND-UHFFFAOYSA-N -1 0 241.246 2.981 50 0 BFAARM O=C([O-])c1ccc(F)c(C(F)(F)F)c1F ZINC000033961995 205462993 /nfs/dbraw/zinc/46/29/93/205462993.db2.gz RHOJXSFJDSOLSS-UHFFFAOYSA-N -1 0 226.100 2.682 50 0 BFAARM O=C([O-])C1(Oc2cccc(Cl)c2)CCC1 ZINC000143580304 374224072 /nfs/dbraw/zinc/22/40/72/374224072.db2.gz YLXUISZQGPQSAD-UHFFFAOYSA-N -1 0 226.659 2.726 50 0 BFAARM O=C(Nc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000019837371 182382793 /nfs/dbraw/zinc/38/27/93/182382793.db2.gz JAFNHZDBCVSXTO-UHFFFAOYSA-N -1 0 248.669 2.693 50 0 BFAARM O=C([O-])/C=C/c1ccc(Cl)cc1F ZINC000002512518 182411546 /nfs/dbraw/zinc/41/15/46/182411546.db2.gz FVLPOWWRHAOKMT-DUXPYHPUSA-N -1 0 200.596 2.577 50 0 BFAARM O=C([O-])/C=C/c1cc(F)c(Cl)c(F)c1 ZINC000096029415 182412203 /nfs/dbraw/zinc/41/22/03/182412203.db2.gz XWQMRFBOVAOGAA-OWOJBTEDSA-N -1 0 218.586 2.716 50 0 BFAARM O=C([O-])CCCCC(=O)c1ccc(F)c(F)c1 ZINC000002378676 182435846 /nfs/dbraw/zinc/43/58/46/182435846.db2.gz HWZQUDHAYOJXEV-UHFFFAOYSA-N -1 0 242.221 2.793 50 0 BFAARM O=C([O-])CCSc1ccc(F)c(F)c1 ZINC000004207390 182450572 /nfs/dbraw/zinc/45/05/72/182450572.db2.gz OVLZSACZPZEUGH-UHFFFAOYSA-N -1 0 218.224 2.532 50 0 BFAARM O=C([O-])C[C@H](c1ccco1)c1ccccc1 ZINC000000310251 182476412 /nfs/dbraw/zinc/47/64/12/182476412.db2.gz SURWKZCXLRGYFM-NSHDSACASA-N -1 0 216.236 2.886 50 0 BFAARM O=C([O-])Cc1cnc(-c2ccccc2F)s1 ZINC000013691652 182493983 /nfs/dbraw/zinc/49/39/83/182493983.db2.gz QHXSCEXPCSSGSH-UHFFFAOYSA-N -1 0 237.255 2.576 50 0 BFAARM O=C([O-])[C@@H](c1ccncc1)C1CCCCC1 ZINC000083010680 182506434 /nfs/dbraw/zinc/50/64/34/182506434.db2.gz LCOQAOKOYAJCQQ-GFCCVEGCSA-N -1 0 219.284 2.830 50 0 BFAARM O=C([O-])c1cc2occc2c(OC(F)F)c1 ZINC000073739490 182557175 /nfs/dbraw/zinc/55/71/75/182557175.db2.gz UGKZNGDFNMSTNS-UHFFFAOYSA-N -1 0 228.150 2.732 50 0 BFAARM O=C([O-])c1ccc(-n2cnc3ccccc32)cc1 ZINC000003888400 182564141 /nfs/dbraw/zinc/56/41/41/182564141.db2.gz LVTAQCOHWAZNAV-UHFFFAOYSA-N -1 0 238.246 2.724 50 0 BFAARM O=C([O-])c1ccc(COCC(F)(F)F)s1 ZINC000036644425 182566102 /nfs/dbraw/zinc/56/61/02/182566102.db2.gz DACKXUFQJWUSHS-UHFFFAOYSA-N -1 0 240.202 2.525 50 0 BFAARM O=C([O-])c1ccc(F)cc1-c1ccc(CO)cc1 ZINC000065349921 182568051 /nfs/dbraw/zinc/56/80/51/182568051.db2.gz NJDRQQOCPYESCV-UHFFFAOYSA-N -1 0 246.237 2.683 50 0 BFAARM O=C([O-])c1ccc(NC(=O)c2cccs2)cc1 ZINC000000190734 182568142 /nfs/dbraw/zinc/56/81/42/182568142.db2.gz MFWXTLPJAFKOSC-UHFFFAOYSA-N -1 0 247.275 2.699 50 0 BFAARM O=C([O-])c1ccnc(Nc2ccc(F)cc2)c1 ZINC000019845059 182586213 /nfs/dbraw/zinc/58/62/13/182586213.db2.gz IRCLDFRYCGKPSL-UHFFFAOYSA-N -1 0 232.214 2.663 50 0 BFAARM O=C([O-])c1cnccc1Oc1ccccc1 ZINC000038887024 182591588 /nfs/dbraw/zinc/59/15/88/182591588.db2.gz QJVUQFFLIRLHBM-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM O=C([O-])c1cnccc1-c1ccsc1 ZINC000065355578 182592072 /nfs/dbraw/zinc/59/20/72/182592072.db2.gz GHKSDGLKJMRIDL-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM CCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002909274 169032957 /nfs/dbraw/zinc/03/29/57/169032957.db2.gz KFULURXNVNLJOV-UHFFFAOYSA-N -1 0 240.353 2.921 50 0 BFAARM CCCCn1nc(C)c(/C=C/C(=O)[O-])c1Cl ZINC000006507274 169037763 /nfs/dbraw/zinc/03/77/63/169037763.db2.gz MWVDONPTZBRDPV-AATRIKPKSA-N -1 0 242.706 2.743 50 0 BFAARM CCCOc1cc(C(=O)[O-])ccc1Cl ZINC000065337044 169313837 /nfs/dbraw/zinc/31/38/37/169313837.db2.gz GSTOIQLTEUFNGQ-UHFFFAOYSA-N -1 0 214.648 2.827 50 0 BFAARM CCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000002571619 169316601 /nfs/dbraw/zinc/31/66/01/169316601.db2.gz WTYNDSOJMSGRQV-VMPITWQZSA-N -1 0 206.241 2.573 50 0 biogenic BFAARM CCCOc1ccc(C(=O)[O-])cc1Cl ZINC000007604062 169316803 /nfs/dbraw/zinc/31/68/03/169316803.db2.gz WOBLCPMGDGMEBX-UHFFFAOYSA-N -1 0 214.648 2.827 50 0 BFAARM CCCOc1cccc2[nH]c(C(=O)[O-])cc21 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342748127 /nfs/dbraw/zinc/74/81/27/342748127.db2.gz JUNKSIZZYOCSGW-GXDHUFHOSA-N -1 0 239.274 2.894 50 0 biogenic BFAARM CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)[O-] ZINC000002526146 342722455 /nfs/dbraw/zinc/72/24/55/342722455.db2.gz CEMWDKOEAHBYQZ-LLVKDONJSA-N -1 0 208.257 2.545 50 0 BFAARM Nc1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000002574116 342725019 /nfs/dbraw/zinc/72/50/19/342725019.db2.gz QUVFHVHLCFFINS-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM CC(C)(C(=O)[O-])c1ccc(Br)cc1 ZINC000002583922 342725729 /nfs/dbraw/zinc/72/57/29/342725729.db2.gz AKVOQXBQLXOEEF-UHFFFAOYSA-N -1 0 243.100 2.811 50 0 in-vitro BFAARM CCCCOc1ccc(C(=O)[O-])cc1OC ZINC000002875549 342727625 /nfs/dbraw/zinc/72/76/25/342727625.db2.gz WCFJMRPLUAGPTG-UHFFFAOYSA-N -1 0 224.256 2.572 50 0 BFAARM O=C([O-])c1cccnc1Nc1ccccc1F ZINC000003278063 342732130 /nfs/dbraw/zinc/73/21/30/342732130.db2.gz APJRFLHMLYOPJK-UHFFFAOYSA-N -1 0 232.214 2.663 50 0 BFAARM Cc1oc(COc2ccccc2)cc1C(=O)[O-] ZINC000003320331 342732501 /nfs/dbraw/zinc/73/25/01/342732501.db2.gz CPRWVHUVIQFSCC-UHFFFAOYSA-N -1 0 232.235 2.865 50 0 BFAARM COc1c(C(=O)[O-])cnc2cc(Cl)ccc21 ZINC000004907138 342754113 /nfs/dbraw/zinc/75/41/13/342754113.db2.gz QEXJTULRRRAXCX-UHFFFAOYSA-N -1 0 237.642 2.595 50 0 BFAARM C/C(=C\c1c[nH]c2ccccc12)C(=O)[O-] ZINC000005046614 342757168 /nfs/dbraw/zinc/75/71/68/342757168.db2.gz MQUKDCDDXFKISK-SOFGYWHQSA-N -1 0 201.225 2.656 50 0 BFAARM C[C@@H](CC(=O)[O-])Nc1ccc(Cl)cc1 ZINC000005275181 342761297 /nfs/dbraw/zinc/76/12/97/342761297.db2.gz GBVLIUPVYMEKLI-ZETCQYMHSA-N -1 0 213.664 2.615 50 0 BFAARM C[C@@H](Cc1n[n-]c(=S)o1)c1ccccc1 ZINC000005869063 342771009 /nfs/dbraw/zinc/77/10/09/342771009.db2.gz NYRWGKXSCPJOSZ-QMMMGPOBSA-N -1 0 220.297 2.705 50 0 BFAARM O=C([O-])c1cc(Cl)c(Cl)nc1Cl ZINC000005943587 342771750 /nfs/dbraw/zinc/77/17/50/342771750.db2.gz XMJRZCYSCMZVJQ-UHFFFAOYSA-N -1 0 226.446 2.740 50 0 BFAARM CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000006721112 342781473 /nfs/dbraw/zinc/78/14/73/342781473.db2.gz XXBJTNCYZOPXBL-JTQLQIEISA-N -1 0 246.310 2.880 50 0 BFAARM CCC(CC)Oc1ccc(C(=O)[O-])cc1 ZINC000087155854 168395238 /nfs/dbraw/zinc/39/52/38/168395238.db2.gz IORPZOKHCNDOTA-UHFFFAOYSA-N -1 0 208.257 2.952 50 0 BFAARM O=C([O-])c1cc(C(=O)c2ccc(Cl)cc2)c[nH]1 ZINC000008729823 342803770 /nfs/dbraw/zinc/80/37/70/342803770.db2.gz PSYVROHQCXUFNX-UHFFFAOYSA-N -1 0 249.653 2.597 50 0 BFAARM CCc1c(C)[nH]c2ccc(C(=O)[O-])cc2c1=O ZINC000008740410 342840986 /nfs/dbraw/zinc/84/09/86/342840986.db2.gz IXTBXFWXCNAUQO-UHFFFAOYSA-N -1 0 231.251 2.509 50 0 biogenic BFAARM O=C([O-])[C@H](Cc1cccnc1)c1ccc(F)cc1 ZINC000011570639 342841588 /nfs/dbraw/zinc/84/15/88/342841588.db2.gz YUQPCFZNOCXPTD-CYBMUJFWSA-N -1 0 245.253 2.632 50 0 BFAARM O=C([O-])c1cccc(Oc2ccccn2)c1 ZINC000012370412 342850430 /nfs/dbraw/zinc/85/04/30/342850430.db2.gz LYSIEAIIZBZRCE-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM Cc1ccc2c(C)cc3n[n-]c(=S)n3c2c1 ZINC000012505979 342852975 /nfs/dbraw/zinc/85/29/75/342852975.db2.gz HJSNTFUNFAINKQ-UHFFFAOYSA-N -1 0 229.308 2.788 50 0 BFAARM CC(C)c1ccc(OCCC(=O)[O-])cc1 ZINC000011884121 342844078 /nfs/dbraw/zinc/84/40/78/342844078.db2.gz LGUAUHTVKKNVOM-UHFFFAOYSA-N -1 0 208.257 2.664 50 0 BFAARM O=C([O-])c1cccc(NC(=O)c2ccsc2)c1 ZINC000013259512 342865131 /nfs/dbraw/zinc/86/51/31/342865131.db2.gz UQBBJWRGQIYSQE-UHFFFAOYSA-N -1 0 247.275 2.699 50 0 BFAARM Cc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000015441734 342896337 /nfs/dbraw/zinc/89/63/37/342896337.db2.gz QLFLVSLHVOQLTB-JTQLQIEISA-N -1 0 220.268 2.679 50 0 BFAARM CC(=NNc1ccccc1C(=O)[O-])c1ccco1 ZINC000004587185 342909399 /nfs/dbraw/zinc/90/93/99/342909399.db2.gz HKRCYYVKRGMQDN-NTEUORMPSA-N -1 0 244.250 2.814 50 0 BFAARM Cc1ccccc1OCc1cc(C(=O)[O-])co1 ZINC000016363039 342909994 /nfs/dbraw/zinc/90/99/94/342909994.db2.gz MTJMYKVDQRTNCN-UHFFFAOYSA-N -1 0 232.235 2.865 50 0 BFAARM Cc1ccsc1[C@]1(C(=O)[O-])CC1(C)C ZINC000019089370 342941428 /nfs/dbraw/zinc/94/14/28/342941428.db2.gz MBENFHWSVWYQDX-NSHDSACASA-N -1 0 210.298 2.809 50 0 BFAARM Cc1cccc(-c2cc3[n-]cnc(=O)c3s2)c1 ZINC000019797275 342958270 /nfs/dbraw/zinc/95/82/70/342958270.db2.gz NHICOIRNLGUXOI-UHFFFAOYSA-N -1 0 242.303 2.960 50 0 BFAARM O=C([O-])c1ccccc1CCc1cccnc1 ZINC000019735532 342955428 /nfs/dbraw/zinc/95/54/28/342955428.db2.gz YLTWNWVAOWGXRU-UHFFFAOYSA-N -1 0 227.263 2.565 50 0 BFAARM CC(C)(C)Sc1cc(C(=O)[O-])ccn1 ZINC000019869581 342960442 /nfs/dbraw/zinc/96/04/42/342960442.db2.gz ZFEKRVIJJMIJBO-UHFFFAOYSA-N -1 0 211.286 2.670 50 0 BFAARM COc1cc(C2(C(=O)[O-])CCCC2)ccc1C ZINC000020284358 342980164 /nfs/dbraw/zinc/98/01/64/342980164.db2.gz BJEXAQNLMVNICS-UHFFFAOYSA-N -1 0 234.295 2.900 50 0 BFAARM O=C([O-])c1cnn(Cc2ccccc2)c1C1CC1 ZINC000021012147 343002081 /nfs/dbraw/zinc/00/20/81/343002081.db2.gz KWKIJDQKAYINSY-UHFFFAOYSA-N -1 0 242.278 2.507 50 0 BFAARM O=C([O-])c1ccc2nc(Cl)ccc2c1 ZINC000022169763 343043230 /nfs/dbraw/zinc/04/32/30/343043230.db2.gz RHQOQVWVODTTSD-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM Cc1ccc(C)c(OCCCCC(=O)[O-])c1 ZINC000020474266 178488351 /nfs/dbraw/zinc/48/83/51/178488351.db2.gz GDELSTPAOVZJKB-UHFFFAOYSA-N -1 0 222.284 2.937 50 0 BFAARM CC(=O)C=C([O-])c1cc2ccccc2o1 ZINC000026517016 187229016 /nfs/dbraw/zinc/22/90/16/187229016.db2.gz GMANRRBOJFKOHH-UHFFFAOYSA-N -1 0 202.209 2.595 50 0 BFAARM O=C([O-])[C@@H](Cc1cccnc1)C1CCCC1 ZINC000160976075 343076078 /nfs/dbraw/zinc/07/60/78/343076078.db2.gz QAANXPFCODQHLD-LBPRGKRZSA-N -1 0 219.284 2.515 50 0 BFAARM CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000004237908 187247295 /nfs/dbraw/zinc/24/72/95/187247295.db2.gz KLLGPANAMFPFCO-UHFFFAOYSA-N -1 0 235.264 2.558 50 0 BFAARM CC(C)(C)OC(=O)C=C([O-])c1ccccc1 ZINC000005353401 187247523 /nfs/dbraw/zinc/24/75/23/187247523.db2.gz PRTKMICNYGEWGB-UHFFFAOYSA-N -1 0 220.268 2.601 50 0 BFAARM CCCc1noc2c1-c1o[n-]c(=O)c1C(C)(C)C2 ZINC000000196775 343268830 /nfs/dbraw/zinc/26/88/30/343268830.db2.gz LEEDURMQWQDVCX-UHFFFAOYSA-N -1 0 248.282 2.821 50 0 BFAARM O=C([O-])[C@@]12CC=CC[C@@H]1CCc1ccccc12 ZINC000034622783 343276293 /nfs/dbraw/zinc/27/62/93/343276293.db2.gz VPIKHFWERATWBS-DOMZBBRYSA-N -1 0 228.291 2.921 50 0 BFAARM Cc1ccc(C)n1[C@H](Cc1ccccc1)C(=O)[O-] ZINC000000378484 178510642 /nfs/dbraw/zinc/51/06/42/178510642.db2.gz CIUPYBFUPLMRLH-CQSZACIVSA-N -1 0 243.306 2.973 50 0 BFAARM O=C([O-])c1ccc(Oc2cccnc2)cc1 ZINC000036904276 343327486 /nfs/dbraw/zinc/32/74/86/343327486.db2.gz JZHQITAPTQQMIF-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM Cc1nc(C2CCCC2)sc1C(=O)[O-] ZINC000037996355 343364234 /nfs/dbraw/zinc/36/42/34/343364234.db2.gz WZSPRJATXFKXHP-UHFFFAOYSA-N -1 0 211.286 2.807 50 0 BFAARM CCCn1c2ccccc2nc1CCCC(=O)[O-] ZINC000037323476 343343516 /nfs/dbraw/zinc/34/35/16/343343516.db2.gz PIJRCJSADATLRV-UHFFFAOYSA-N -1 0 246.310 2.854 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037380878 343344364 /nfs/dbraw/zinc/34/43/64/343344364.db2.gz IBXCFDILOTYDLI-DTWKUNHWSA-N -1 0 230.185 2.894 50 0 BFAARM Cc1cccc(Oc2c[nH]c(=S)[nH]c2=O)c1 ZINC000039260749 343387620 /nfs/dbraw/zinc/38/76/20/343387620.db2.gz BTHLFOGNSHDSKT-UHFFFAOYSA-N -1 0 234.280 2.946 50 0 BFAARM O=C([O-])c1ccnc(-c2cccc(F)c2)c1 ZINC000041229469 343417229 /nfs/dbraw/zinc/41/72/29/343417229.db2.gz XJDQVAJNXSTJIP-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM CCc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000043878967 343486311 /nfs/dbraw/zinc/48/63/11/343486311.db2.gz XSRSDDKMGNGPAJ-QWHCGFSZSA-N -1 0 246.306 2.933 50 0 BFAARM O=C([O-])c1ccc(CC(=O)c2ccccc2)cc1 ZINC000043214128 343465876 /nfs/dbraw/zinc/46/58/76/343465876.db2.gz YVPSKWZULNRWJN-UHFFFAOYSA-N -1 0 240.258 2.810 50 0 BFAARM O=C([O-])c1ccc(C(=O)Cc2ccccc2)cc1 ZINC000043214127 343465883 /nfs/dbraw/zinc/46/58/83/343465883.db2.gz JRFSSRWUBQYOGX-UHFFFAOYSA-N -1 0 240.258 2.810 50 0 BFAARM O=C([O-])c1cc(Br)cc2cc[nH]c21 ZINC000043220657 343466331 /nfs/dbraw/zinc/46/63/31/343466331.db2.gz VZYDZTIPNOBVNC-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM CCOc1cc(C(=O)[O-])cc2occc21 ZINC000045921126 343535597 /nfs/dbraw/zinc/53/55/97/343535597.db2.gz DTMFWJHGJJQFEN-UHFFFAOYSA-N -1 0 206.197 2.530 50 0 BFAARM CCOc1cc(Br)cc(C(=O)[O-])c1 ZINC000065337306 187273656 /nfs/dbraw/zinc/27/36/56/187273656.db2.gz DMIGIIGQWXKUKM-UHFFFAOYSA-N -1 0 245.072 2.546 50 0 BFAARM CCC(=O)C1=C([O-])c2ccc(Cl)cc2C1 ZINC000127691162 344600518 /nfs/dbraw/zinc/60/05/18/344600518.db2.gz BJGUNCPFPCYGGO-JTQLQIEISA-N -1 0 222.671 2.674 50 0 BFAARM CC(C)[N@H+](CCC(=O)[O-])Cc1ccccc1F ZINC000037596020 187293390 /nfs/dbraw/zinc/29/33/90/187293390.db2.gz MYFAEOALIQLSPW-UHFFFAOYSA-N -1 0 239.290 2.511 50 0 BFAARM Cc1ccc(Oc2ncccc2C(=O)[O-])cc1 ZINC000000131950 178822233 /nfs/dbraw/zinc/82/22/33/178822233.db2.gz KSZLPVGPJCYPCJ-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM O=C([O-])C1(CCCOCc2ccccc2)CC1 ZINC000306290761 537913827 /nfs/dbraw/zinc/91/38/27/537913827.db2.gz QDNVUCFHKCYXHY-UHFFFAOYSA-N -1 0 234.295 2.848 50 0 BFAARM O=S(=O)([O-])c1ccc2c(c1)oc1ccccc12 ZINC000003132479 346296659 /nfs/dbraw/zinc/29/66/59/346296659.db2.gz QQYILFJVCFLPNB-UHFFFAOYSA-N -1 0 248.259 2.833 50 0 BFAARM Cc1cccc(C(=O)c2ccccc2C(=O)[O-])c1 ZINC000000133505 179027144 /nfs/dbraw/zinc/02/71/44/179027144.db2.gz GVSLNMMHEAMXAJ-UHFFFAOYSA-N -1 0 240.258 2.924 50 0 BFAARM Cc1cccc(C(F)(F)F)c1C(=O)[O-] ZINC000095933490 179028621 /nfs/dbraw/zinc/02/86/21/179028621.db2.gz HNIHCUXXQZGRAU-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM CC=C(C)c1n[n-]c(=NC(=O)OCC)s1 ZINC000000618343 346421185 /nfs/dbraw/zinc/42/11/85/346421185.db2.gz SKPQPGPPIPLVRZ-GQCTYLIASA-N -1 0 227.289 2.530 50 0 BFAARM Cc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)c(N)c1 ZINC000584904547 346641328 /nfs/dbraw/zinc/64/13/28/346641328.db2.gz YTOWAJBTQGSEFE-QPJJXVBHSA-N -1 0 243.262 2.935 50 0 BFAARM Cc1cccc(Nc2nc(C)cc(C(=O)[O-])n2)c1 ZINC000072240752 179158639 /nfs/dbraw/zinc/15/86/39/179158639.db2.gz SXDFELWRGHLPJO-UHFFFAOYSA-N -1 0 243.266 2.535 50 0 BFAARM Cc1ccccc1-c1ccc(C(=O)[O-])o1 ZINC000002525689 179235258 /nfs/dbraw/zinc/23/52/58/179235258.db2.gz SZMXDXBNMHKBAJ-UHFFFAOYSA-N -1 0 202.209 2.953 50 0 BFAARM Cc1ccccc1-c1ccncc1C(=O)[O-] ZINC000034754345 179237224 /nfs/dbraw/zinc/23/72/24/179237224.db2.gz IOHYKGWYACXFHG-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1ccccc1C(=O)c1ccc(O)cc1[O-] ZINC000000232085 179253576 /nfs/dbraw/zinc/25/35/76/179253576.db2.gz HJPCUVKFCLZYFR-UHFFFAOYSA-N -1 0 228.247 2.637 50 0 biogenic BFAARM Cc1ccccc1C1(C(=O)[O-])CCCC1 ZINC000020429423 179255452 /nfs/dbraw/zinc/25/54/52/179255452.db2.gz OXQMUWLDAHABBR-UHFFFAOYSA-N -1 0 204.269 2.891 50 0 BFAARM Cc1ccccc1Oc1ncccc1C(=O)[O-] ZINC000008729647 179313872 /nfs/dbraw/zinc/31/38/72/179313872.db2.gz PGXUFSBVOAHHHL-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM Cc1ccccc1Oc1ccc(C(=O)[O-])nc1 ZINC000084019111 179314463 /nfs/dbraw/zinc/31/44/63/179314463.db2.gz VGMKSSALQMFMFJ-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM CC(C)(C)OC(=O)N=c1nc(Cl)[n-]s1 ZINC000116421769 348974142 /nfs/dbraw/zinc/97/41/42/348974142.db2.gz UKOAFAZCVLVBTK-UHFFFAOYSA-N -1 0 235.696 2.539 50 0 BFAARM Cc1csc(-c2nc(=O)c3sccc3[n-]2)n1 ZINC000097115160 179761203 /nfs/dbraw/zinc/76/12/03/179761203.db2.gz NDHHFPQJZGGHBF-UHFFFAOYSA-N -1 0 249.320 2.829 50 0 BFAARM Cc1nc(-c2ccccc2)ccc1C(=O)[O-] ZINC000000340695 179866593 /nfs/dbraw/zinc/86/65/93/179866593.db2.gz XFJZPGWVRLQCHP-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1cccc2c(=O)c(CCC(=O)[O-])c(C)[nH]c12 ZINC000008737737 180064940 /nfs/dbraw/zinc/06/49/40/180064940.db2.gz RVSSXMXBVBIJDH-UHFFFAOYSA-N -1 0 245.278 2.574 50 0 BFAARM CC1(C)CCc2c(C(=O)[O-])csc2C1 ZINC000149099126 538056869 /nfs/dbraw/zinc/05/68/69/538056869.db2.gz RSDOZUAOQJDKNR-UHFFFAOYSA-N -1 0 210.298 2.961 50 0 BFAARM Cc1sc(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000011766563 180555583 /nfs/dbraw/zinc/55/55/83/180555583.db2.gz ZHMMVOXQDJPCRD-UHFFFAOYSA-N -1 0 237.255 2.956 50 0 BFAARM O=Cc1sccc1-c1cccc(C(=O)[O-])c1 ZINC000725272152 538103908 /nfs/dbraw/zinc/10/39/08/538103908.db2.gz NBUTUOCYONZRIF-UHFFFAOYSA-N -1 0 232.260 2.926 50 0 BFAARM CC(C)[C@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000004046692 352624735 /nfs/dbraw/zinc/62/47/35/352624735.db2.gz BBWMQSIVQSDBJA-MNOVXSKESA-N -1 0 228.332 2.939 50 0 biogenic BFAARM O=S(=O)([O-])c1ccc(-c2ccccc2)cc1 ZINC000001661217 187926226 /nfs/dbraw/zinc/92/62/26/187926226.db2.gz XDTYUYVIGLIFCW-UHFFFAOYSA-N -1 0 234.276 2.600 50 0 BFAARM CC(C)COC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000494528 188273617 /nfs/dbraw/zinc/27/36/17/188273617.db2.gz JFQDEWHFPOYFJX-UHFFFAOYSA-N -1 0 237.255 2.589 50 0 BFAARM O=C([O-])c1ccccc1SC(F)F ZINC000002382191 188274784 /nfs/dbraw/zinc/27/47/84/188274784.db2.gz JJFFRJTXRATUEE-UHFFFAOYSA-N -1 0 204.197 2.700 50 0 BFAARM O=C([O-])c1c(F)ccc(C(F)(F)F)c1F ZINC000002529915 188274926 /nfs/dbraw/zinc/27/49/26/188274926.db2.gz CVJDKSBPBBKDEN-UHFFFAOYSA-N -1 0 226.100 2.682 50 0 BFAARM Cc1cccc(NC(=O)c2ccccc2O)c1 ZINC000005418798 188277781 /nfs/dbraw/zinc/27/77/81/188277781.db2.gz MRVOFXWTGKUCRX-UHFFFAOYSA-N -1 0 227.263 2.953 50 0 BFAARM CC(C)[C@H](Sc1ccccc1)C(=O)[O-] ZINC000011954777 188279432 /nfs/dbraw/zinc/27/94/32/188279432.db2.gz QAKDHYMWCUNISK-JTQLQIEISA-N -1 0 210.298 2.888 50 0 BFAARM Cc1cnc(-c2cccc(C(=O)[O-])c2)s1 ZINC000054158988 188300327 /nfs/dbraw/zinc/30/03/27/188300327.db2.gz ZVMVNRWWXZEPMS-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM Fc1c([S-])cccc1Br ZINC000071792125 180946721 /nfs/dbraw/zinc/94/67/21/180946721.db2.gz TVQPCUNOYOVJJP-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM CC(=O)N1c2ccccc2NC(=S)C[C@@H]1C ZINC000007089620 188333085 /nfs/dbraw/zinc/33/30/85/188333085.db2.gz XSXLYKIOSJRPLN-QMMMGPOBSA-N -1 0 234.324 2.571 50 0 BFAARM CCCCC(=O)Nc1ccccc1C(=O)[O-] ZINC000011638445 355759569 /nfs/dbraw/zinc/75/95/69/355759569.db2.gz FNXYKRJGWPQPIB-UHFFFAOYSA-N -1 0 221.256 2.514 50 0 BFAARM O=C([O-])c1c(-c2ccc[nH]2)noc1C1CCC1 ZINC000675057736 538480807 /nfs/dbraw/zinc/48/08/07/538480807.db2.gz MPLNZSSLBLNJJG-UHFFFAOYSA-N -1 0 232.239 2.635 50 0 BFAARM O=[S@@]([O-])c1cc(C(F)(F)F)ccc1Cl ZINC000125975288 538526943 /nfs/dbraw/zinc/52/69/43/538526943.db2.gz ZNCQFFARKISWKB-UHFFFAOYSA-N -1 0 244.621 2.939 50 0 BFAARM CC(C)C1CCC([C@H](F)C(=O)[O-])CC1 ZINC000088157696 538571821 /nfs/dbraw/zinc/57/18/21/538571821.db2.gz XRFFYTGXEUYZER-RTBKNWGFSA-N -1 0 202.269 2.872 50 0 BFAARM [S-]c1cccc(I)c1 ZINC000034133472 538809370 /nfs/dbraw/zinc/80/93/70/538809370.db2.gz WVAWSDHHTJXNNA-UHFFFAOYSA-N -1 0 236.077 2.580 50 0 BFAARM Cc1nc(CC(=O)[O-])c(-c2ccccc2)s1 ZINC000000114687 357336337 /nfs/dbraw/zinc/33/63/37/357336337.db2.gz ILFHJGORBRMWSE-UHFFFAOYSA-N -1 0 233.292 2.746 50 0 BFAARM O=C([O-])c1cc2c(ccnc2Cl)s1 ZINC000096028381 357341377 /nfs/dbraw/zinc/34/13/77/357341377.db2.gz LVZKJIOAGUOVHK-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM CCCCCC(=O)CCCCC(=O)[O-] ZINC000002378801 358153731 /nfs/dbraw/zinc/15/37/31/358153731.db2.gz CFHSTABJNSOHHK-UHFFFAOYSA-N -1 0 200.278 2.781 50 0 BFAARM O=C([O-])[C@]12CC=CC[C@H]1CCc1ccccc12 ZINC000044126374 358403532 /nfs/dbraw/zinc/40/35/32/358403532.db2.gz VPIKHFWERATWBS-SWLSCSKDSA-N -1 0 228.291 2.921 50 0 BFAARM Cc1cc(Cl)ccc1C(F)(F)C(=O)[O-] ZINC000306415664 359828857 /nfs/dbraw/zinc/82/88/57/359828857.db2.gz QISNPWVVAOXIJB-UHFFFAOYSA-N -1 0 220.602 2.825 50 0 BFAARM CC(C)c1onc(-c2cncs2)c1C(=O)[O-] ZINC000675057383 541462859 /nfs/dbraw/zinc/46/28/59/541462859.db2.gz FBPMPXHQNNNISD-UHFFFAOYSA-N -1 0 238.268 2.620 50 0 BFAARM CC(C)c1onc(-c2ccco2)c1C(=O)[O-] ZINC000675057393 541463078 /nfs/dbraw/zinc/46/30/78/541463078.db2.gz FSPFIJYYGPFKOI-UHFFFAOYSA-N -1 0 221.212 2.756 50 0 BFAARM Cc1nc2cccc(Cl)c2cc1C(=O)[O-] ZINC000584880376 368858516 /nfs/dbraw/zinc/85/85/16/368858516.db2.gz PKWCPDWRLIDOBO-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM O=C([O-])c1ccccc1-c1nccs1 ZINC000020440119 371281042 /nfs/dbraw/zinc/28/10/42/371281042.db2.gz FQRCVHZNITWETI-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM Nc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000001746121 181693706 /nfs/dbraw/zinc/69/37/06/181693706.db2.gz ZSFKODANZQVHCK-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM O=C([O-])c1ccccc1CC(=O)c1ccccc1 ZINC000001594156 182045609 /nfs/dbraw/zinc/04/56/09/182045609.db2.gz MLCPCDOOBNXTFB-UHFFFAOYSA-N -1 0 240.258 2.810 50 0 BFAARM Cc1ccnc2c(NC[C@@H](C)C(=O)[O-])cccc12 ZINC000039932643 373063528 /nfs/dbraw/zinc/06/35/28/373063528.db2.gz LOEGAEPXCIYIHV-SNVBAGLBSA-N -1 0 244.294 2.676 50 0 BFAARM O=C([O-])c1ncc(-c2ccc(Cl)cc2)o1 ZINC000036161407 205463941 /nfs/dbraw/zinc/46/39/41/205463941.db2.gz ADODKNPTCRCQJX-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])/C=C/c1ccccc1OC(F)(F)F ZINC000012480859 182413031 /nfs/dbraw/zinc/41/30/31/182413031.db2.gz RTCUAUKXVCMIBS-AATRIKPKSA-N -1 0 232.157 2.683 50 0 BFAARM O=C([O-])/C=C\c1cccc(OC(F)(F)F)c1 ZINC000012358969 182415321 /nfs/dbraw/zinc/41/53/21/182415321.db2.gz CLKZZEYGXRWYNI-PLNGDYQASA-N -1 0 232.157 2.683 50 0 BFAARM O=C([O-])/C=C(/c1ccc(F)cc1)C1CC1 ZINC000011628544 182408435 /nfs/dbraw/zinc/40/84/35/182408435.db2.gz KVOQBQKMAXTLQM-YRNVUSSQSA-N -1 0 206.216 2.704 50 0 BFAARM O=C([O-])CCC(=O)Nc1ccc2ccccc2c1 ZINC000000050806 182433228 /nfs/dbraw/zinc/43/32/28/182433228.db2.gz LYNFOUMTFFAMAN-UHFFFAOYSA-N -1 0 243.262 2.643 50 0 in-vitro BFAARM O=C([O-])CCC(=O)c1ccc(Cl)c(F)c1 ZINC000004242543 182434846 /nfs/dbraw/zinc/43/48/46/182434846.db2.gz IRQZAGWHZPBKOD-UHFFFAOYSA-N -1 0 230.622 2.527 50 0 BFAARM O=C([O-])CCCOc1cccc2c1CCCC2 ZINC000013609410 182440707 /nfs/dbraw/zinc/44/07/07/182440707.db2.gz LOBZLVYZZOISKZ-UHFFFAOYSA-N -1 0 234.295 2.809 50 0 BFAARM O=C([O-])CCOc1cc(Cl)cc(Cl)c1 ZINC000011955594 182448638 /nfs/dbraw/zinc/44/86/38/182448638.db2.gz KCXNBTVQFJREHK-UHFFFAOYSA-N -1 0 235.066 2.847 50 0 BFAARM O=C([O-])CC[C@H]1CCCc2ccccc21 ZINC000019908785 182451688 /nfs/dbraw/zinc/45/16/88/182451688.db2.gz FVUQSSILGMUFTL-LLVKDONJSA-N -1 0 204.269 2.971 50 0 BFAARM O=C([O-])CCc1ccc(C(F)(F)F)c(F)c1 ZINC000038529611 182453761 /nfs/dbraw/zinc/45/37/61/182453761.db2.gz MZAXOCZCRTUISW-UHFFFAOYSA-N -1 0 236.164 2.862 50 0 BFAARM O=C([O-])CN(Cc1ccccc1)c1ccccc1 ZINC000020198575 182460164 /nfs/dbraw/zinc/46/01/64/182460164.db2.gz KUPDILJKKXVBLS-UHFFFAOYSA-N -1 0 241.290 2.778 50 0 BFAARM O=C([O-])C[C@@H](c1ccccc1)C(F)(F)F ZINC000038673749 182476352 /nfs/dbraw/zinc/47/63/52/182476352.db2.gz RYLOHTVBYHZHMN-QMMMGPOBSA-N -1 0 218.174 2.807 50 0 BFAARM O=C([O-])C[C@@H](c1ccco1)c1ccccc1 ZINC000000310250 182483161 /nfs/dbraw/zinc/48/31/61/182483161.db2.gz SURWKZCXLRGYFM-LLVKDONJSA-N -1 0 216.236 2.886 50 0 BFAARM O=C([O-])Cc1ccc(C(F)(F)F)cc1Cl ZINC000038853329 182490602 /nfs/dbraw/zinc/49/06/02/182490602.db2.gz JLULPIXGVZSEES-UHFFFAOYSA-N -1 0 238.592 2.986 50 0 BFAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)on1 ZINC000000874633 182549631 /nfs/dbraw/zinc/54/96/31/182549631.db2.gz CRTZVRLESCICCT-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])c1cc(-c2ccc[nH]2)nc2ccccc21 ZINC000015085806 182551340 /nfs/dbraw/zinc/55/13/40/182551340.db2.gz HRSMHLJNYJAMBL-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM O=C([O-])c1ccc(Cl)c(N2CCCC2)c1 ZINC000004245087 182567246 /nfs/dbraw/zinc/56/72/46/182567246.db2.gz MJZZIRLKGSRLKN-UHFFFAOYSA-N -1 0 225.675 2.638 50 0 BFAARM O=C([O-])c1cccc(-c2ccccc2F)n1 ZINC000035630166 182575730 /nfs/dbraw/zinc/57/57/30/182575730.db2.gz QQGRLKMTVDWDHN-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])c1ccc(-c2cccc(O)c2)cc1 ZINC000002528943 182562759 /nfs/dbraw/zinc/56/27/59/182562759.db2.gz QYJXLCAJAZHPGK-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM O=C([O-])c1ccccc1OCc1ccccc1 ZINC000002169206 182582360 /nfs/dbraw/zinc/58/23/60/182582360.db2.gz GMOYUTKNPLBTMT-UHFFFAOYSA-N -1 0 228.247 2.964 50 0 BFAARM O=C([O-])c1cccc2c1-c1ccccc1C2=O ZINC000000265675 182580545 /nfs/dbraw/zinc/58/05/45/182580545.db2.gz AFQYQSWTVCNJQT-UHFFFAOYSA-N -1 0 224.215 2.596 50 0 BFAARM O=Cc1ccc(-c2cccc(CC(=O)[O-])c2)cc1 ZINC000002581023 182865249 /nfs/dbraw/zinc/86/52/49/182865249.db2.gz KVOMMPWVNQAQTK-UHFFFAOYSA-N -1 0 240.258 2.793 50 0 BFAARM O=c1cc([O-])c2c(-c3ccccc3)csc2[nH]1 ZINC000028819388 182996030 /nfs/dbraw/zinc/99/60/30/182996030.db2.gz LCZDMHJWUXOSML-UHFFFAOYSA-N -1 0 243.287 2.962 50 0 BFAARM O=c1[nH]c(=S)[n-]c2c3ccccc3oc21 ZINC000057352015 183252699 /nfs/dbraw/zinc/25/26/99/183252699.db2.gz GTUFXGNJQNZRBS-UHFFFAOYSA-N -1 0 218.237 2.744 50 0 BFAARM [O-]c1c(F)c(Cl)ccc1Br ZINC000090413266 183253229 /nfs/dbraw/zinc/25/32/29/183253229.db2.gz WAUJWVZWKHKUEK-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM [O-]c1cc(F)cc(Br)c1Cl ZINC000263625227 183258003 /nfs/dbraw/zinc/25/80/03/183258003.db2.gz XWMCXXCEGCNDBM-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM S=c1[n-]nc(Cc2c[nH]c3ccccc23)o1 ZINC000006492186 183315108 /nfs/dbraw/zinc/31/51/08/183315108.db2.gz ZEDNRGVSUVGMEM-UHFFFAOYSA-N -1 0 231.280 2.804 50 0 BFAARM CCCOc1ccc(C(=O)[O-])cc1N1CCCC1 ZINC000008703663 169317134 /nfs/dbraw/zinc/31/71/34/169317134.db2.gz PXSDAEOYGNUDFP-UHFFFAOYSA-N -1 0 249.310 2.774 50 0 BFAARM CCCc1c(C(=O)[O-])cnn1-c1cccc(F)c1 ZINC000006773775 169560772 /nfs/dbraw/zinc/56/07/72/169560772.db2.gz UIMQTUVATDVSAP-UHFFFAOYSA-N -1 0 248.257 2.662 50 0 BFAARM CCCc1noc2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000022164825 169605604 /nfs/dbraw/zinc/60/56/04/169605604.db2.gz GLGPXIDJQVMEKG-UHFFFAOYSA-N -1 0 246.266 2.751 50 0 BFAARM O=C([O-])/C=C/c1ccc(F)c(Br)c1 ZINC000000057073 383821544 /nfs/dbraw/zinc/82/15/44/383821544.db2.gz ZNIGVADAKXOMQH-DUXPYHPUSA-N -1 0 245.047 2.686 50 0 biogenic,in-vitro BFAARM O=C([O-])Cc1ccc(OCc2ccccc2)cc1 ZINC000000081145 383824031 /nfs/dbraw/zinc/82/40/31/383824031.db2.gz XJHGAJLIKDAOPE-UHFFFAOYSA-N -1 0 242.274 2.893 50 0 in-vitro BFAARM O=C([O-])CSCc1ccc(Cl)cc1 ZINC000000259372 383846838 /nfs/dbraw/zinc/84/68/38/383846838.db2.gz SAYBRQDMVZLOPM-UHFFFAOYSA-N -1 0 216.689 2.658 50 0 BFAARM Cc1ccc(C(C)C)cc1OCC(=O)[O-] ZINC000000265711 383848825 /nfs/dbraw/zinc/84/88/25/383848825.db2.gz OWRFHSFWUCJFQE-UHFFFAOYSA-N -1 0 208.257 2.582 50 0 BFAARM O=C([O-])C1(c2ccc(Cl)cc2)CCC1 ZINC000000394844 383864259 /nfs/dbraw/zinc/86/42/59/383864259.db2.gz XYSRHOKREWGGFE-UHFFFAOYSA-N -1 0 210.660 2.846 50 0 BFAARM Cc1cc(C)c(-c2n[nH]cc2C(=O)[O-])cc1C ZINC000066442637 383864852 /nfs/dbraw/zinc/86/48/52/383864852.db2.gz SAOIXHGGULNQFK-UHFFFAOYSA-N -1 0 230.267 2.700 50 0 BFAARM Nc1sc(-c2ccccc2)cc1C(=O)[O-] ZINC000000131689 383829791 /nfs/dbraw/zinc/82/97/91/383829791.db2.gz QSMQLBVCCAMZHD-UHFFFAOYSA-N -1 0 219.265 2.696 50 0 BFAARM CC(C)c1cncnc1-c1cccc(C(=O)[O-])c1 ZINC000067513947 383925186 /nfs/dbraw/zinc/92/51/86/383925186.db2.gz RUMQKEGORGHQPG-UHFFFAOYSA-N -1 0 242.278 2.965 50 0 BFAARM O=C([O-])CCC(=O)c1cccc(C(F)(F)F)c1 ZINC000002579909 383977810 /nfs/dbraw/zinc/97/78/10/383977810.db2.gz GLNOAEGCWGDNDG-UHFFFAOYSA-N -1 0 246.184 2.753 50 0 BFAARM O=C([O-])CCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002579914 383978473 /nfs/dbraw/zinc/97/84/73/383978473.db2.gz XBTRBFQQDDYMFC-UHFFFAOYSA-N -1 0 246.184 2.753 50 0 BFAARM O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1 ZINC000002015756 383943286 /nfs/dbraw/zinc/94/32/86/383943286.db2.gz ALDSXDRDRWDASQ-UHFFFAOYSA-N -1 0 240.258 2.545 50 0 in-vitro BFAARM Fc1cc([S-])cc(Br)c1 ZINC000067799983 383945567 /nfs/dbraw/zinc/94/55/67/383945567.db2.gz GGVUNSZTZDPBEY-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM O=C([O-])CSc1ccccc1Br ZINC000003226913 384001239 /nfs/dbraw/zinc/00/12/39/384001239.db2.gz KQUNWFXSYMIICT-UHFFFAOYSA-N -1 0 247.113 2.626 50 0 BFAARM Cc1nc(-c2ccccc2)sc1CC(=O)[O-] ZINC000003608420 384021223 /nfs/dbraw/zinc/02/12/23/384021223.db2.gz RWYONVYVVYSLDV-UHFFFAOYSA-N -1 0 233.292 2.746 50 0 BFAARM Cc1cc(C(=O)[O-])c(-n2cccc2)s1 ZINC000003844220 384029623 /nfs/dbraw/zinc/02/96/23/384029623.db2.gz GHQHUPKIJXQWKT-UHFFFAOYSA-N -1 0 207.254 2.545 50 0 BFAARM Cc1cc(C(=O)[O-])c(C)cc1Br ZINC000003848701 384031766 /nfs/dbraw/zinc/03/17/66/384031766.db2.gz PYZYBJKFYYDWPH-UHFFFAOYSA-N -1 0 229.073 2.764 50 0 BFAARM CCOc1c(Cl)ccc(/C=C/C(=O)[O-])c1F ZINC000091252118 384111189 /nfs/dbraw/zinc/11/11/89/384111189.db2.gz PJYOROFBBRKJCT-GQCTYLIASA-N -1 0 244.649 2.976 50 0 BFAARM O=C([O-])CCc1ccc(F)c(Br)c1 ZINC000035688532 384094747 /nfs/dbraw/zinc/09/47/47/384094747.db2.gz OSNHUWREKCWLMH-UHFFFAOYSA-N -1 0 247.063 2.605 50 0 BFAARM O=C([O-])[C@@H](Cc1ccccc1)c1ccc(O)cc1 ZINC000071773977 384177256 /nfs/dbraw/zinc/17/72/56/384177256.db2.gz YQRXIILIXJKTKC-AWEZNQCLSA-N -1 0 242.274 2.803 50 0 BFAARM O=C([O-])CCCC(=O)c1ccc(Cl)cc1F ZINC000043214160 384263982 /nfs/dbraw/zinc/26/39/82/384263982.db2.gz BDHWHYSJITXKRD-UHFFFAOYSA-N -1 0 244.649 2.917 50 0 BFAARM CC[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000011628786 384292402 /nfs/dbraw/zinc/29/24/02/384292402.db2.gz PWZOXDFQHQZWLK-VIFPVBQESA-N -1 0 208.257 2.664 50 0 BFAARM O=C([O-])CCOc1ccc2ccccc2c1 ZINC000011800270 384296869 /nfs/dbraw/zinc/29/68/69/384296869.db2.gz DHSIEHJZSPBHQA-UHFFFAOYSA-N -1 0 216.236 2.693 50 0 BFAARM Cc1ccc(C(C)C)c(OCCC(=O)[O-])c1 ZINC000011885940 384301333 /nfs/dbraw/zinc/30/13/33/384301333.db2.gz CHIVRVVKOCCNME-UHFFFAOYSA-N -1 0 222.284 2.972 50 0 BFAARM Cc1cc(C(=O)[O-])ccc1NC(=O)CC(C)C ZINC000013391080 384359493 /nfs/dbraw/zinc/35/94/93/384359493.db2.gz PMMPHKBLAPVUBN-UHFFFAOYSA-N -1 0 235.283 2.678 50 0 BFAARM CCc1cccc2c(C=O)cn([C@H](C)C(=O)[O-])c21 ZINC000013609187 384366816 /nfs/dbraw/zinc/36/68/16/384366816.db2.gz AUODPLHWPBMIRU-SECBINFHSA-N -1 0 245.278 2.662 50 0 BFAARM Cc1ccc(OCc2cccc(C(=O)[O-])c2)cn1 ZINC000050211322 384609673 /nfs/dbraw/zinc/60/96/73/384609673.db2.gz YUBDHBCHHWPSJE-UHFFFAOYSA-N -1 0 243.262 2.667 50 0 BFAARM O=C([O-])/C=C/c1ccc(C(F)(F)F)cc1 ZINC000000056575 384615802 /nfs/dbraw/zinc/61/58/02/384615802.db2.gz ANRMAUMHJREENI-ZZXKWVIFSA-N -1 0 216.158 2.803 50 0 biogenic,in-vitro BFAARM Cc1cc(C(=O)[O-])cc(C)c1OC(F)F ZINC000020475447 384619060 /nfs/dbraw/zinc/61/90/60/384619060.db2.gz DDQQDZZCUFMCQV-UHFFFAOYSA-N -1 0 216.183 2.603 50 0 BFAARM Cc1ccc(O)c(C(=O)C=C([O-])c2ccco2)c1 ZINC000100142892 384619731 /nfs/dbraw/zinc/61/97/31/384619731.db2.gz AMIGZFMVJSRNEU-UHFFFAOYSA-N -1 0 244.246 2.749 50 0 BFAARM O=C([O-])C1(c2ccc(F)cc2F)CCCC1 ZINC000080961566 384592995 /nfs/dbraw/zinc/59/29/95/384592995.db2.gz BEFDRJJXJDRECV-UHFFFAOYSA-N -1 0 226.222 2.861 50 0 BFAARM O=c1c2c([n-]n1-c1ccccc1)CCCC2 ZINC000100488300 384642621 /nfs/dbraw/zinc/64/26/21/384642621.db2.gz XTRMRDURQFAJOU-LLVKDONJSA-N -1 0 214.268 2.579 50 0 BFAARM C[C@H](CC(=O)[O-])c1cc2ccccc2[nH]1 ZINC000082914375 384725699 /nfs/dbraw/zinc/72/56/99/384725699.db2.gz QHVKPNMWZIYYKD-MRVPVSSYSA-N -1 0 203.241 2.746 50 0 BFAARM CC(C)[C@@H](O)c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000022060701 384726567 /nfs/dbraw/zinc/72/65/67/384726567.db2.gz RMOQYHYFRKTDRI-JOYOIKCWSA-N -1 0 222.284 2.564 50 0 world BFAARM O=C([O-])/C=C/c1cc2c(cn1)[nH]c1ccccc12 ZINC000143112088 384717179 /nfs/dbraw/zinc/71/71/79/384717179.db2.gz IRCDBVQFANGJAX-AATRIKPKSA-N -1 0 238.246 2.814 50 0 BFAARM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)C1CC1 ZINC000025591927 384854311 /nfs/dbraw/zinc/85/43/11/384854311.db2.gz GFILKRFCUQZYNY-SSDOTTSWSA-N -1 0 239.702 2.574 50 0 BFAARM O=C([O-])C/C=C/c1ccc(Br)cc1 ZINC000062710571 385185425 /nfs/dbraw/zinc/18/54/25/385185425.db2.gz QAKAGCGTEVRMQA-OWOJBTEDSA-N -1 0 241.084 2.937 50 0 BFAARM O=C([O-])/C=C\c1ccc(Cl)c(F)c1 ZINC000033373884 385228523 /nfs/dbraw/zinc/22/85/23/385228523.db2.gz MNELKRQRBRYHBV-RQOWECAXSA-N -1 0 200.596 2.577 50 0 BFAARM O=C([O-])c1cc(F)cc(-c2ccc(O)cc2)c1 ZINC000065340064 385300918 /nfs/dbraw/zinc/30/09/18/385300918.db2.gz AHDOCVLIQKICRL-UHFFFAOYSA-N -1 0 232.210 2.897 50 0 BFAARM O=C([O-])c1cccc(NN=Cc2cccs2)c1 ZINC000254522729 385693777 /nfs/dbraw/zinc/69/37/77/385693777.db2.gz NNIKHVCKOCYUQS-UHFFFAOYSA-N -1 0 246.291 2.892 50 0 BFAARM CC[C@H](C)n1c(=O)c2[nH]c(C)cc2[n-]c1=S ZINC000101333013 386544350 /nfs/dbraw/zinc/54/43/50/386544350.db2.gz MFRGIFMYUMOZCO-ZETCQYMHSA-N -1 0 237.328 2.667 50 0 BFAARM CC[C@@H](NC(=O)CCCC(=O)[O-])c1ccccc1 ZINC000035670712 387439576 /nfs/dbraw/zinc/43/95/76/387439576.db2.gz GWQOXIAEOSDOLI-GFCCVEGCSA-N -1 0 249.310 2.509 50 0 BFAARM Cc1ccnc([N-]c2nc3ccccc3o2)n1 ZINC000009013481 388413406 /nfs/dbraw/zinc/41/34/06/388413406.db2.gz FPKNCRLNDYNPDD-UHFFFAOYSA-N -1 0 226.239 2.670 50 0 BFAARM O=C([O-])/C=C/c1csc(C(F)(F)F)c1 ZINC000521398894 388704533 /nfs/dbraw/zinc/70/45/33/388704533.db2.gz ZZIQKZDAWFLAAP-OWOJBTEDSA-N -1 0 222.187 2.865 50 0 BFAARM CC1=CC(C)(C)NC(=O)N1c1ccccc1O ZINC000005416292 132317614 /nfs/dbraw/zinc/31/76/14/132317614.db2.gz GJRLMDASOAZFAR-UHFFFAOYSA-N -1 0 232.283 2.604 50 0 BFAARM CC(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000000098537 166730881 /nfs/dbraw/zinc/73/08/81/166730881.db2.gz OEVILGFILDPPFV-UHFFFAOYSA-N -1 0 241.674 2.633 50 0 BFAARM CC(C)Oc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000045068577 167294528 /nfs/dbraw/zinc/29/45/28/167294528.db2.gz HTBSLZSNTGXDSI-JTQLQIEISA-N -1 0 222.284 2.737 50 0 BFAARM CC(C)Oc1cccc(/C=C/C(=O)[O-])c1 ZINC000020526777 167304154 /nfs/dbraw/zinc/30/41/54/167304154.db2.gz YODAQSSOKNXUNX-VOTSOKGWSA-N -1 0 206.241 2.572 50 0 biogenic BFAARM CC(C)Oc1ccccc1/C=C/C(=O)[O-] ZINC000012357558 167308134 /nfs/dbraw/zinc/30/81/34/167308134.db2.gz FLQYLVIWICFVMT-BQYQJAHWSA-N -1 0 206.241 2.572 50 0 BFAARM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000031829272 167614868 /nfs/dbraw/zinc/61/48/68/167614868.db2.gz NOGUBTGKXFAAGO-NWDGAFQWSA-N -1 0 204.269 2.998 50 0 BFAARM CC1(C)C[C@@](CC(=O)[O-])(c2ccccc2)CCO1 ZINC000000210029 167991384 /nfs/dbraw/zinc/99/13/84/167991384.db2.gz VOWBSUAXGNNDGB-OAHLLOKOSA-N -1 0 248.322 2.988 50 0 biogenic BFAARM CCOP(=O)(CCCCC(=O)[O-])OCC ZINC000002569992 170469697 /nfs/dbraw/zinc/46/96/97/170469697.db2.gz YGEORQNREMLBKS-UHFFFAOYSA-N -1 0 238.220 2.507 50 0 BFAARM CC[C@H](Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000005921945 171590823 /nfs/dbraw/zinc/59/08/23/171590823.db2.gz CEJKAKCQVUWNNA-VIFPVBQESA-N -1 0 214.648 2.582 50 0 in-vitro BFAARM CC[C@H](Oc1cccc(Cl)c1)C(=O)[O-] ZINC000005953879 171591068 /nfs/dbraw/zinc/59/10/68/171591068.db2.gz LTNOFNYWTSJBRJ-VIFPVBQESA-N -1 0 214.648 2.582 50 0 BFAARM COc1cc2ccccc2cc1C(=O)[O-] ZINC000000291443 175027689 /nfs/dbraw/zinc/02/76/89/175027689.db2.gz RTBQQRFTCVDODF-UHFFFAOYSA-N -1 0 202.209 2.547 50 0 BFAARM COc1ccc(Br)c([O-])c1Cl ZINC000065337296 175051023 /nfs/dbraw/zinc/05/10/23/175051023.db2.gz VVRDRUJEABUFPP-UHFFFAOYSA-N -1 0 237.480 2.817 50 0 BFAARM COc1ccc(Br)c([S-])c1 ZINC000034315989 175051132 /nfs/dbraw/zinc/05/11/32/175051132.db2.gz OPVIAUGHOYNQLE-UHFFFAOYSA-N -1 0 219.103 2.746 50 0 BFAARM COc1ccc(SCCCC(=O)[O-])cc1 ZINC000019394770 175174947 /nfs/dbraw/zinc/17/49/47/175174947.db2.gz OMEZZCIYLLHOEH-UHFFFAOYSA-N -1 0 226.297 2.652 50 0 BFAARM COc1ccc([C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000002575265 175187641 /nfs/dbraw/zinc/18/76/41/175187641.db2.gz LLILURMTCOXPIU-CQSZACIVSA-N -1 0 242.274 2.912 50 0 BFAARM COc1ccc2ccccc2c1/C=C/C(=O)[O-] ZINC000002504985 175225822 /nfs/dbraw/zinc/22/58/22/175225822.db2.gz AOYGYGJJEGVZLW-VQHVLOKHSA-N -1 0 228.247 2.946 50 0 BFAARM COc1ccc2sc(C(=O)[O-])c(C)c2c1 ZINC000000329979 175232677 /nfs/dbraw/zinc/23/26/77/175232677.db2.gz HQORKYGLRMIEKI-UHFFFAOYSA-N -1 0 222.265 2.917 50 0 BFAARM COc1cccc(-c2ccc(C(=O)[O-])o2)c1 ZINC000002541776 175234226 /nfs/dbraw/zinc/23/42/26/175234226.db2.gz RIIFZAPFLSKUTL-UHFFFAOYSA-N -1 0 218.208 2.653 50 0 BFAARM COc1cccc(-c2nc(C(=O)[O-])c(C)s2)c1 ZINC000011766534 175236181 /nfs/dbraw/zinc/23/61/81/175236181.db2.gz UEMMQIZKOKFUTH-UHFFFAOYSA-N -1 0 249.291 2.825 50 0 BFAARM COc1cccc2cc(C(=O)[O-])sc21 ZINC000000338835 175306505 /nfs/dbraw/zinc/30/65/05/175306505.db2.gz QJWNYHKOXLTWOA-UHFFFAOYSA-N -1 0 208.238 2.608 50 0 BFAARM COc1ccccc1-c1cnc(C(=O)[O-])s1 ZINC000045206029 175309885 /nfs/dbraw/zinc/30/98/85/175309885.db2.gz YUZJONZFADZDMH-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM C[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000040740283 175627314 /nfs/dbraw/zinc/62/73/14/175627314.db2.gz JUQMRSYCLKEWAV-ZCFIWIBFSA-N -1 0 218.174 2.894 50 0 BFAARM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000002583851 176003864 /nfs/dbraw/zinc/00/38/64/176003864.db2.gz ZZCGVEYHZSLNKD-ZCFIWIBFSA-N -1 0 234.173 2.557 50 0 BFAARM C[C@@H](Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000003886818 176009889 /nfs/dbraw/zinc/00/98/89/176009889.db2.gz NKBXBKKXOZFZPI-ZCFIWIBFSA-N -1 0 216.689 2.905 50 0 BFAARM C[C@@H]1CC[C@@H](C)N1c1cccc(C(=O)[O-])c1 ZINC000008703803 176200420 /nfs/dbraw/zinc/20/04/20/176200420.db2.gz XRUBTHYGOWUUDN-NXEZZACHSA-N -1 0 219.284 2.762 50 0 BFAARM C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000000000435 176586043 /nfs/dbraw/zinc/58/60/43/176586043.db2.gz YMBXTVYHTMGZDW-GXFFZTMASA-N -1 0 246.306 2.786 50 0 world BFAARM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000002027278 177022343 /nfs/dbraw/zinc/02/23/43/177022343.db2.gz BIPAGODSEBNAJR-YFKPBYRVSA-N -1 0 235.066 2.845 50 0 BFAARM C[C@H]1CC(=O)c2c1c(F)cc(Cl)c2[O-] ZINC000090225655 177062904 /nfs/dbraw/zinc/06/29/04/177062904.db2.gz YHSCBHAZNLOAQY-BYPYZUCNSA-N -1 0 214.623 2.875 50 0 BFAARM CCCc1nc(-c2ccc(C(=O)[O-])cc2)c[nH]1 ZINC000534652378 323157610 /nfs/dbraw/zinc/15/76/10/323157610.db2.gz IEGYWFMBENQAKO-UHFFFAOYSA-N -1 0 230.267 2.727 50 0 BFAARM O=C([O-])C[C@H](Cn1cccc1)c1ccccc1 ZINC000084019354 487984000 /nfs/dbraw/zinc/98/40/00/487984000.db2.gz BCSZDEQUNKRPOC-CYBMUJFWSA-N -1 0 229.279 2.747 50 0 BFAARM O=C([O-])C[C@@H](Cn1cccc1)c1ccccc1 ZINC000084019352 487984165 /nfs/dbraw/zinc/98/41/65/487984165.db2.gz BCSZDEQUNKRPOC-ZDUSSCGKSA-N -1 0 229.279 2.747 50 0 BFAARM CCC(=O)C=C([O-])c1cccc(Cl)c1 ZINC000020375917 582459344 /nfs/dbraw/zinc/45/93/44/582459344.db2.gz LCWNKNHNNUOMAN-UHFFFAOYSA-N -1 0 210.660 2.892 50 0 BFAARM COc1cc(C(F)(F)F)ccc1/C=C\C(=O)[O-] ZINC000390822693 522179488 /nfs/dbraw/zinc/17/94/88/522179488.db2.gz GWCJMKSOPUUFDP-HYXAFXHYSA-N -1 0 246.184 2.812 50 0 BFAARM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)[O-])o1 ZINC000238853083 525348204 /nfs/dbraw/zinc/34/82/04/525348204.db2.gz IHYYDFPEYUTJFS-BZNPZCIMSA-N -1 0 206.241 2.591 50 0 BFAARM CC(C)N1CCCc2c(C(=O)[O-])cccc21 ZINC000037474292 535179785 /nfs/dbraw/zinc/17/97/85/535179785.db2.gz DAMDITZLXXHMDP-UHFFFAOYSA-N -1 0 219.284 2.546 50 0 BFAARM CCCC(=O)C(C)=C([O-])c1cccs1 ZINC000104716685 582459287 /nfs/dbraw/zinc/45/92/87/582459287.db2.gz SRDDIXRFJWSDIL-QMMMGPOBSA-N -1 0 210.298 2.936 50 0 BFAARM Cc1onc(-c2cc(F)ccc2F)c1C(=O)[O-] ZINC000070426672 582594448 /nfs/dbraw/zinc/59/44/48/582594448.db2.gz WCCCBWDQPKXBLW-UHFFFAOYSA-N -1 0 239.177 2.626 50 0 BFAARM O=C([O-])CCc1cccc(Br)c1F ZINC000075902147 592313068 /nfs/dbraw/zinc/31/30/68/592313068.db2.gz QUTHCORUZVGKKY-UHFFFAOYSA-N -1 0 247.063 2.605 50 0 BFAARM C/C=C(/C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000097035801 601217433 /nfs/dbraw/zinc/21/74/33/601217433.db2.gz YISSFKFLUCKBRA-YWEYNIOJSA-N -1 0 233.267 2.598 50 0 BFAARM O=C([O-])/C=C/c1ccc(C(F)(F)F)c(O)c1 ZINC000299805488 635891987 /nfs/dbraw/zinc/89/19/87/635891987.db2.gz QBERWMHZJGIPRH-DUXPYHPUSA-N -1 0 232.157 2.509 50 0 BFAARM CCC(=O)C(C)=C([O-])c1ccccc1F ZINC000168124368 640786057 /nfs/dbraw/zinc/78/60/57/640786057.db2.gz XNKLVJXOCLEXQO-QMMMGPOBSA-N -1 0 208.232 2.624 50 0 BFAARM Cc1onc(-c2ccc(C)c(F)c2)c1C(=O)[O-] ZINC000070544110 643445533 /nfs/dbraw/zinc/44/55/33/643445533.db2.gz JSSFWHHNNLCLCF-UHFFFAOYSA-N -1 0 235.214 2.796 50 0 BFAARM O=C([O-])C[C@@H](c1ccccc1)c1ccccc1O ZINC000005489135 970830857 /nfs/dbraw/zinc/83/08/57/970830857.db2.gz MTZAQHDJUHDYAN-ZDUSSCGKSA-N -1 0 242.274 2.999 50 0 BFAARM CCc1ccccc1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000002245598 978465396 /nfs/dbraw/zinc/46/53/96/978465396.db2.gz BHEDYVCNZCWUGU-NEPJUHHUSA-N -1 0 246.306 2.933 50 0 BFAARM Cc1cc(Cl)c(CC(=O)[O-])cc1Cl ZINC000263624295 178061533 /nfs/dbraw/zinc/06/15/33/178061533.db2.gz PBAXQFIMQQELIU-UHFFFAOYSA-N -1 0 219.067 2.929 50 0 BFAARM Cc1cc(=O)[nH]cc1-c1ccc(C(=O)[O-])s1 ZINC000008764100 178202917 /nfs/dbraw/zinc/20/29/17/178202917.db2.gz AKZNPAVLCGFBSF-UHFFFAOYSA-N -1 0 235.264 2.522 50 0 BFAARM Cc1ccc(-c2ccc(N)c(C(=O)[O-])c2)cc1 ZINC000016946171 178325161 /nfs/dbraw/zinc/32/51/61/178325161.db2.gz SURZAQVAAPZGFF-UHFFFAOYSA-N -1 0 227.263 2.942 50 0 BFAARM Cc1ccc(-c2ccc(C(=O)[O-])cn2)cc1 ZINC000039927691 178322643 /nfs/dbraw/zinc/32/26/43/178322643.db2.gz SBZIVZCDYSNVSC-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000000407617 178323146 /nfs/dbraw/zinc/32/31/46/178323146.db2.gz YZDIEQFFXQUBRM-UHFFFAOYSA-N -1 0 202.209 2.953 50 0 BFAARM CCCc1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000000082112 342673238 /nfs/dbraw/zinc/67/32/38/342673238.db2.gz CBYITWPSSDTYTN-UHFFFAOYSA-N -1 0 230.267 2.523 50 0 BFAARM COC(=S)[N-]c1ccc(Cl)cc1C ZINC000000138359 342676631 /nfs/dbraw/zinc/67/66/31/342676631.db2.gz HQNWXUWUEVDVOB-UHFFFAOYSA-N -1 0 215.705 2.992 50 0 BFAARM O=C([O-])CCSc1ccc(Cl)cc1 ZINC000000153438 342677479 /nfs/dbraw/zinc/67/74/79/342677479.db2.gz JGJULSJGGIMHBK-UHFFFAOYSA-N -1 0 216.689 2.907 50 0 in-vitro BFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)c1cccs1 ZINC000000155761 342677764 /nfs/dbraw/zinc/67/77/64/342677764.db2.gz OHEBPHKWGCMUNK-BDAKNGLRSA-N -1 0 238.308 2.822 50 0 BFAARM O=C([O-])c1cc(Cl)ccc1Br ZINC000000156513 342678078 /nfs/dbraw/zinc/67/80/78/342678078.db2.gz RBCPJQQJBAQSOU-UHFFFAOYSA-N -1 0 235.464 2.801 50 0 BFAARM CC(=O)Nc1cc([O-])c(Cl)cc1Cl ZINC000000169136 342678981 /nfs/dbraw/zinc/67/89/81/342678981.db2.gz KKTTWHOBHAIWDY-UHFFFAOYSA-N -1 0 220.055 2.657 50 0 BFAARM O=C([O-])c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000254583 342681292 /nfs/dbraw/zinc/68/12/92/342681292.db2.gz OUANAAHOQVMJCH-UHFFFAOYSA-N -1 0 242.230 2.604 50 0 biogenic BFAARM C=Cn1c(C(=O)[O-])ccc1-c1ccc(OC)cc1 ZINC000000259211 342681567 /nfs/dbraw/zinc/68/15/67/342681567.db2.gz WXJPEJGLSPARIH-UHFFFAOYSA-N -1 0 243.262 2.962 50 0 BFAARM CC(C)c1nc2ccccc2n1C[C@@H](C)C(=O)[O-] ZINC000000316317 342683117 /nfs/dbraw/zinc/68/31/17/342683117.db2.gz QUXGGGMURXCUCP-SNVBAGLBSA-N -1 0 246.310 2.880 50 0 BFAARM Cc1ccc2scc(CC(=O)[O-])c2c1 ZINC000000335718 342683874 /nfs/dbraw/zinc/68/38/74/342683874.db2.gz KYZMXUFJGWTSOX-UHFFFAOYSA-N -1 0 206.266 2.837 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(O)cc2)cc1 ZINC000000389804 342685808 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-1 0 238.136 2.622 50 0 BFAARM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000002555581 342723856 /nfs/dbraw/zinc/72/38/56/342723856.db2.gz YIDWVTSSFOIVPL-JTQLQIEISA-N -1 0 228.675 2.828 50 0 BFAARM CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002562543 342724341 /nfs/dbraw/zinc/72/43/41/342724341.db2.gz XVQDXDHZJPGIIN-VIFPVBQESA-N -1 0 245.319 2.545 50 0 BFAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000002574487 342725062 /nfs/dbraw/zinc/72/50/62/342725062.db2.gz LCOMXIQTOGETME-NWDGAFQWSA-N -1 0 232.279 2.760 50 0 BFAARM O=C([O-])c1cccc(-c2ccc3c(c2)OCO3)c1 ZINC000002581016 342725441 /nfs/dbraw/zinc/72/54/41/342725441.db2.gz KMYXCUZMLVHANR-UHFFFAOYSA-N -1 0 242.230 2.781 50 0 BFAARM CCc1ccc2[nH]c(C)c(CC(=O)[O-])c2c1 ZINC000002582689 342725834 /nfs/dbraw/zinc/72/58/34/342725834.db2.gz RCHPIUXYDSGZFY-UHFFFAOYSA-N -1 0 217.268 2.666 50 0 BFAARM Cc1ccc(OCC(=O)[O-])c(C(C)C)c1 ZINC000002585646 342725912 /nfs/dbraw/zinc/72/59/12/342725912.db2.gz HZXPHEPHXVISFD-UHFFFAOYSA-N -1 0 208.257 2.582 50 0 BFAARM Cc1ccc(Nc2ncccc2C(=O)[O-])cc1 ZINC000004624049 342749743 /nfs/dbraw/zinc/74/97/43/342749743.db2.gz OFKCFBVBBOJSMC-UHFFFAOYSA-N -1 0 228.251 2.832 50 0 BFAARM CCOc1cc(/C=C/C(=O)[O-])cc(Cl)c1O ZINC000003336029 342732662 /nfs/dbraw/zinc/73/26/62/342732662.db2.gz HFFUHTSAEWCRBF-ONEGZZNKSA-N -1 0 242.658 2.542 50 0 BFAARM Cc1ccc(SCCC(=O)[O-])cc1C ZINC000003346489 342732735 /nfs/dbraw/zinc/73/27/35/342732735.db2.gz OVGUBQSJOHHQOX-UHFFFAOYSA-N -1 0 210.298 2.870 50 0 BFAARM Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C(=O)[O-] ZINC000003683850 342736583 /nfs/dbraw/zinc/73/65/83/342736583.db2.gz ZHHYZWVFPWNKJL-SNVBAGLBSA-N -1 0 229.279 2.981 50 0 BFAARM C[C@H](CC(=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC000005051389 342757040 /nfs/dbraw/zinc/75/70/40/342757040.db2.gz SSAOBKRLGFAMTI-SSDOTTSWSA-N -1 0 226.659 2.634 50 0 BFAARM Cc1nc(COc2ccccc2)sc1C(=O)[O-] ZINC000005175353 342759579 /nfs/dbraw/zinc/75/95/79/342759579.db2.gz JPXSHGOKVQXIJD-UHFFFAOYSA-N -1 0 249.291 2.729 50 0 BFAARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000005513388 342765205 /nfs/dbraw/zinc/76/52/05/342765205.db2.gz CGYYJHMINXBBNH-SNVBAGLBSA-N -1 0 245.278 2.680 50 0 BFAARM Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000004699877 342750682 /nfs/dbraw/zinc/75/06/82/342750682.db2.gz WNWHAIKCIHDFRT-UHFFFAOYSA-N -1 0 249.310 2.825 50 0 BFAARM O=C([O-])[C@@H](Br)CC1CCCCC1 ZINC000138214313 342800630 /nfs/dbraw/zinc/80/06/30/342800630.db2.gz ZNLYQQHXHRSBBY-QMMMGPOBSA-N -1 0 235.121 2.805 50 0 BFAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC000000037433 178436486 /nfs/dbraw/zinc/43/64/86/178436486.db2.gz UOIAQNBEHLQRMG-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM Cc1c(C(=O)[O-])cc(-c2ccc(F)cc2)n1C ZINC000006667814 342780659 /nfs/dbraw/zinc/78/06/59/342780659.db2.gz OAKQOMKKKBNYCI-UHFFFAOYSA-N -1 0 233.242 2.838 50 0 BFAARM CC(C)(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000007023245 342787425 /nfs/dbraw/zinc/78/74/25/342787425.db2.gz ZSIVSNFWFIGKJR-UHFFFAOYSA-N -1 0 206.241 2.614 50 0 BFAARM Cc1ccc(Nc2cnnc(=S)[nH]2)c(C)c1 ZINC000002686098 342791109 /nfs/dbraw/zinc/79/11/09/342791109.db2.gz JQAXURLUAHEBKY-UHFFFAOYSA-N -1 0 232.312 2.895 50 0 BFAARM O=C([O-])[C@H](Br)CC1CCCCC1 ZINC000138214430 342799953 /nfs/dbraw/zinc/79/99/53/342799953.db2.gz ZNLYQQHXHRSBBY-MRVPVSSYSA-N -1 0 235.121 2.805 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1C ZINC000002574473 178446169 /nfs/dbraw/zinc/44/61/69/178446169.db2.gz UPTWQRAGCGYSIG-STQMWFEESA-N -1 0 246.306 2.987 50 0 BFAARM O=C([O-])c1ccc(Cl)cc1-n1cccc1 ZINC000009239326 342810732 /nfs/dbraw/zinc/81/07/32/342810732.db2.gz DNBQADMPTHCMLH-UHFFFAOYSA-N -1 0 221.643 2.829 50 0 BFAARM O=C([O-])c1cccc2c1ccn2CC1CC1 ZINC000082687453 259323459 /nfs/dbraw/zinc/32/34/59/259323459.db2.gz LYSVTJFDRSAXCX-UHFFFAOYSA-N -1 0 215.252 2.750 50 0 BFAARM Cc1csc(COc2ccc(C(=O)[O-])cc2)n1 ZINC000011851347 342843779 /nfs/dbraw/zinc/84/37/79/342843779.db2.gz GMAXVPUNJLXEQY-UHFFFAOYSA-N -1 0 249.291 2.729 50 0 BFAARM O=C([O-])c1c[nH]c2cccc(Br)c12 ZINC000011919753 342844598 /nfs/dbraw/zinc/84/45/98/342844598.db2.gz GJQQLCJFHKJARJ-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM CCCCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000012274134 342848720 /nfs/dbraw/zinc/84/87/20/342848720.db2.gz STTIGHKIHLCAAS-UHFFFAOYSA-N -1 0 221.256 2.514 50 0 BFAARM O=C([O-])c1c[nH]c2c1cccc2Br ZINC000012650051 342855997 /nfs/dbraw/zinc/85/59/97/342855997.db2.gz RMWZYIREGHRJOQ-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM CC(C)(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000012956796 342861910 /nfs/dbraw/zinc/86/19/10/342861910.db2.gz FLPJVCYHCRNXQX-UHFFFAOYSA-N -1 0 235.283 2.760 50 0 BFAARM O=C([O-])c1cc(Br)cc2[nH]ccc21 ZINC000014984982 342890154 /nfs/dbraw/zinc/89/01/54/342890154.db2.gz LIXZNRVUWPYCNC-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM O=C([O-])c1cc(Oc2ccccc2)co1 ZINC000016124588 342906466 /nfs/dbraw/zinc/90/64/66/342906466.db2.gz APSCPDDQKUPMCQ-UHFFFAOYSA-N -1 0 204.181 2.770 50 0 BFAARM CCCn1c(=O)c2cc(C)sc2[n-]c1=S ZINC000016972455 342918348 /nfs/dbraw/zinc/91/83/48/342918348.db2.gz KPDKPYWFRUDSTN-UHFFFAOYSA-N -1 0 240.353 2.839 50 0 BFAARM C[C@H](c1cc(C(=O)[O-])on1)c1ccccc1 ZINC000075405643 344013273 /nfs/dbraw/zinc/01/32/73/344013273.db2.gz JQUNWMIEQMRXFE-QMMMGPOBSA-N -1 0 217.224 2.525 50 0 BFAARM O=C([O-])c1ccc2cccc(Cl)c2n1 ZINC000019088410 342941407 /nfs/dbraw/zinc/94/14/07/342941407.db2.gz BISKATAKTWFSQV-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000019420918 342948294 /nfs/dbraw/zinc/94/82/94/342948294.db2.gz FGYVECLRQDHPQF-UHFFFAOYSA-N -1 0 241.674 2.777 50 0 BFAARM Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000019779225 342957070 /nfs/dbraw/zinc/95/70/70/342957070.db2.gz AHVXODVMORVSSK-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000019726474 342954988 /nfs/dbraw/zinc/95/49/88/342954988.db2.gz FCBCYACIDMQJTN-SNVBAGLBSA-N -1 0 210.660 2.918 50 0 BFAARM CCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000020136517 342971446 /nfs/dbraw/zinc/97/14/46/342971446.db2.gz NRSNBYOJHHYUTB-UHFFFAOYSA-N -1 0 241.674 2.777 50 0 BFAARM O=C([O-])c1c2cccc(F)c2nc2c1CCCC2 ZINC000020198658 342976162 /nfs/dbraw/zinc/97/61/62/342976162.db2.gz ICEWNEGPZFLLSZ-UHFFFAOYSA-N -1 0 245.253 2.951 50 0 BFAARM O=C([O-])c1cnc2c(c1)Nc1ccccc1S2 ZINC000020285442 342980518 /nfs/dbraw/zinc/98/05/18/342980518.db2.gz IJKPJAFJNCLUPT-UHFFFAOYSA-N -1 0 244.275 2.988 50 0 BFAARM O=C([O-])c1c[nH]nc1-c1cc2ccccc2o1 ZINC000020439719 342985032 /nfs/dbraw/zinc/98/50/32/342985032.db2.gz MJARSEFLZBNZKP-UHFFFAOYSA-N -1 0 228.207 2.521 50 0 BFAARM O=C([O-])c1cccc(Oc2ccncc2)c1 ZINC000021987345 343031966 /nfs/dbraw/zinc/03/19/66/343031966.db2.gz HZLZWEINMPPFFX-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM C[C@H](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000022023131 343036486 /nfs/dbraw/zinc/03/64/86/343036486.db2.gz DYBYNFXXAQJRBN-QMMMGPOBSA-N -1 0 212.676 2.993 50 0 BFAARM CC(C)[C@H](O)c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000022060698 343038068 /nfs/dbraw/zinc/03/80/68/343038068.db2.gz RMOQYHYFRKTDRI-SKDRFNHKSA-N -1 0 222.284 2.564 50 0 world BFAARM CC(C)c1onc(C(F)(F)F)c1C(=O)[O-] ZINC000232757880 343076604 /nfs/dbraw/zinc/07/66/04/343076604.db2.gz BQNWINHZGMPNSU-UHFFFAOYSA-N -1 0 223.150 2.515 50 0 BFAARM CCOc1ccc2c(C)c(C(=O)[O-])oc2c1 ZINC000026467028 343105582 /nfs/dbraw/zinc/10/55/82/343105582.db2.gz OOEBBGKHPMIOJO-UHFFFAOYSA-N -1 0 220.224 2.838 50 0 BFAARM O=C([O-])c1cccc2nc(Cl)ccc21 ZINC000026507193 343105999 /nfs/dbraw/zinc/10/59/99/343105999.db2.gz PIDMGSRYEKDYOU-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1cc(-c2cccc(Cl)c2)no1 ZINC000026514970 343106499 /nfs/dbraw/zinc/10/64/99/343106499.db2.gz HNYLKRYOMWDUOY-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])c1cccc(SC(F)(F)F)c1 ZINC000000057093 187244298 /nfs/dbraw/zinc/24/42/98/187244298.db2.gz IVGAPIVNQABETQ-UHFFFAOYSA-N -1 0 222.187 2.997 50 0 BFAARM COc1ccc([C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000008729715 187249257 /nfs/dbraw/zinc/24/92/57/187249257.db2.gz LLILURMTCOXPIU-AWEZNQCLSA-N -1 0 242.274 2.912 50 0 BFAARM O=C([O-])c1ccc(Sc2ccccc2)nc1 ZINC000019845384 187252730 /nfs/dbraw/zinc/25/27/30/187252730.db2.gz PGPMGXDXFMRPJI-UHFFFAOYSA-N -1 0 231.276 2.931 50 0 BFAARM O=C([O-])c1cc(Br)c(Cl)s1 ZINC000034404549 343270349 /nfs/dbraw/zinc/27/03/49/343270349.db2.gz CFVLYODPDQGKTF-UHFFFAOYSA-N -1 0 241.493 2.862 50 0 BFAARM CC(C)c1nn(-c2ccccc2)cc1C(=O)[O-] ZINC000036894471 343326826 /nfs/dbraw/zinc/32/68/26/343326826.db2.gz AVKAZVYDPUIIAC-UHFFFAOYSA-N -1 0 230.267 2.694 50 0 BFAARM O=C([O-])c1ccnc2cccc(Cl)c21 ZINC000035270093 343291293 /nfs/dbraw/zinc/29/12/93/343291293.db2.gz QEJVAJGAMCJITG-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CC(C)(C)O[C@H](C(=O)[O-])c1ccccc1 ZINC000020506590 187253697 /nfs/dbraw/zinc/25/36/97/187253697.db2.gz YPCKHPPKPKEHMI-JTQLQIEISA-N -1 0 208.257 2.627 50 0 BFAARM O=C([O-])c1c[nH]cc1-c1ccccc1F ZINC000037245234 343340858 /nfs/dbraw/zinc/34/08/58/343340858.db2.gz LPSXFYIOBIXUBL-UHFFFAOYSA-N -1 0 205.188 2.519 50 0 BFAARM Cc1c(C(=O)[O-])cnn1-c1ccccc1Cl ZINC000037295166 343342946 /nfs/dbraw/zinc/34/29/46/343342946.db2.gz NJOUENQKKOELRF-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037380874 343344413 /nfs/dbraw/zinc/34/44/13/343344413.db2.gz IBXCFDILOTYDLI-IUCAKERBSA-N -1 0 230.185 2.894 50 0 BFAARM O=C([O-])c1cccc2c(Cl)nccc12 ZINC000035270024 187258367 /nfs/dbraw/zinc/25/83/67/187258367.db2.gz KBTGRZFORDXMSV-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 in-vitro BFAARM O=c1nc(-c2cccs2)[n-]c2ccsc21 ZINC000048603504 343380796 /nfs/dbraw/zinc/38/07/96/343380796.db2.gz GFESGQDULHILFG-UHFFFAOYSA-N -1 0 234.305 2.713 50 0 BFAARM O=C([O-])c1sc2ncccc2c1Cl ZINC000039296328 343388262 /nfs/dbraw/zinc/38/82/62/343388262.db2.gz UYYCHKKPKUVKIW-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM CCc1c(C(=O)[O-])cnn1C(CC)CC ZINC000040931583 343411362 /nfs/dbraw/zinc/41/13/62/343411362.db2.gz CMFZSHSSGGFBDL-UHFFFAOYSA-N -1 0 210.277 2.505 50 0 BFAARM CCc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000043214248 343465813 /nfs/dbraw/zinc/46/58/13/343465813.db2.gz HIZDKYYHXZXCAF-SNVBAGLBSA-N -1 0 234.295 2.933 50 0 BFAARM Cc1ccsc1C(=O)C[C@H](C)CC(=O)[O-] ZINC000043214280 343466508 /nfs/dbraw/zinc/46/65/08/343466508.db2.gz OCVGXLVMDYDEAF-ZETCQYMHSA-N -1 0 226.297 2.740 50 0 BFAARM O=C([O-])c1cc(CCc2ccccc2)ccc1O ZINC000047843947 187269501 /nfs/dbraw/zinc/26/95/01/187269501.db2.gz FDPUNEHVECXKLV-UHFFFAOYSA-N -1 0 242.274 2.876 50 0 BFAARM Cc1c(F)cc(Br)cc1C(=O)[O-] ZINC000238483212 344107547 /nfs/dbraw/zinc/10/75/47/344107547.db2.gz NIAUVDRUTMQEBK-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM CC(/C=C/c1ccc(Cl)o1)=C\C(=O)[O-] ZINC000004770026 344197282 /nfs/dbraw/zinc/19/72/82/344197282.db2.gz CMGZBBDULSFUFW-BLWKUPHCSA-N -1 0 212.632 2.977 50 0 BFAARM Cc1ccc2cc(CCC(=O)[O-])ccc2n1 ZINC000082780822 178968818 /nfs/dbraw/zinc/96/88/18/178968818.db2.gz LURYMRBYPPRURF-UHFFFAOYSA-N -1 0 215.252 2.560 50 0 BFAARM O=Cc1cc([S-])ccc1Br ZINC000669372661 537950712 /nfs/dbraw/zinc/95/07/12/537950712.db2.gz VVIXWUZCKLREKU-UHFFFAOYSA-N -1 0 217.087 2.550 50 0 BFAARM Cc1cccc(-c2ccc(C(=O)[O-])o2)c1 ZINC000000569363 178993681 /nfs/dbraw/zinc/99/36/81/178993681.db2.gz NQJYIMVBENPXIB-UHFFFAOYSA-N -1 0 202.209 2.953 50 0 BFAARM CCCO[C@H](C(=O)[O-])c1ccc(F)cc1C ZINC000147924936 537955351 /nfs/dbraw/zinc/95/53/51/537955351.db2.gz JAOQBJBGAJEPHH-NSHDSACASA-N -1 0 226.247 2.686 50 0 BFAARM CCCO[C@@H](C(=O)[O-])c1ccc(F)cc1C ZINC000147925155 537956655 /nfs/dbraw/zinc/95/66/55/537956655.db2.gz JAOQBJBGAJEPHH-LLVKDONJSA-N -1 0 226.247 2.686 50 0 BFAARM Cc1cccc(C)c1C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000091676030 179032468 /nfs/dbraw/zinc/03/24/68/179032468.db2.gz YJKRDFOFRNIAIY-NEPJUHHUSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1cccc(C)c1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000043878988 179033378 /nfs/dbraw/zinc/03/33/78/179033378.db2.gz GSBKTQBHLQMSDH-NWDGAFQWSA-N -1 0 246.306 2.987 50 0 BFAARM Nc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000008701974 346680362 /nfs/dbraw/zinc/68/03/62/346680362.db2.gz ZUXJAYSBZKNORG-SOFGYWHQSA-N -1 0 229.235 2.627 50 0 BFAARM CC(C)(COc1cccc(Cl)c1)C(=O)[O-] ZINC000008730689 346684201 /nfs/dbraw/zinc/68/42/01/346684201.db2.gz XHWMOAVPNOQVIS-UHFFFAOYSA-N -1 0 228.675 2.830 50 0 BFAARM Cc1n[n-]c(=S)n1-c1ccccc1C ZINC000000779875 179240665 /nfs/dbraw/zinc/24/06/65/179240665.db2.gz ONIPXWYCMCDLMP-UHFFFAOYSA-N -1 0 205.286 2.547 50 0 BFAARM Cc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000043878997 179253914 /nfs/dbraw/zinc/25/39/14/179253914.db2.gz JCFJOOWFROHYMP-NWDGAFQWSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1ccccc1Nc1cc(C(=O)[O-])ccn1 ZINC000019845332 179308558 /nfs/dbraw/zinc/30/85/58/179308558.db2.gz ZBGXLMDCWKKXAP-UHFFFAOYSA-N -1 0 228.251 2.832 50 0 BFAARM Cc1ccn(-c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000012336395 179399635 /nfs/dbraw/zinc/39/96/35/179399635.db2.gz JBSFTFLMZMRNLI-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM Cc1nc(COc2cccc(C(=O)[O-])c2)cs1 ZINC000004219147 179979196 /nfs/dbraw/zinc/97/91/96/179979196.db2.gz AKSSOQQGEAWRTP-UHFFFAOYSA-N -1 0 249.291 2.729 50 0 BFAARM Cc1nc2ccccc2c(S[C@@H](C)C(=O)[O-])n1 ZINC000004536981 180033079 /nfs/dbraw/zinc/03/30/79/180033079.db2.gz DYXBKEBSWWCVBF-ZETCQYMHSA-N -1 0 248.307 2.503 50 0 BFAARM O=C(C=C([O-])c1ccccc1F)C(F)(F)F ZINC000100631000 191063404 /nfs/dbraw/zinc/06/34/04/191063404.db2.gz ZMJUOMSUMXJFPQ-UHFFFAOYSA-N -1 0 234.148 2.530 50 0 BFAARM O=C([O-])c1csc(Nc2ccccc2F)n1 ZINC000033507828 350237786 /nfs/dbraw/zinc/23/77/86/350237786.db2.gz NMJJOYBVZJHOQK-UHFFFAOYSA-N -1 0 238.243 2.724 50 0 BFAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000012030645 168626443 /nfs/dbraw/zinc/62/64/43/168626443.db2.gz KGWLPOUJWIZHEV-UHFFFAOYSA-N -1 0 235.283 2.822 50 0 BFAARM Nc1ccc(F)c(-c2ccc(C(=O)[O-])s2)c1 ZINC000725261248 538085643 /nfs/dbraw/zinc/08/56/43/538085643.db2.gz ZCOGHWARHVAULE-UHFFFAOYSA-N -1 0 237.255 2.835 50 0 BFAARM Cc1nn(CC(C)C)c2sc(C(=O)[O-])cc12 ZINC000004200322 180385865 /nfs/dbraw/zinc/38/58/65/180385865.db2.gz HCMVRUJVLRJVQQ-UHFFFAOYSA-N -1 0 238.312 2.760 50 0 BFAARM CC(=O)Oc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000000151859 191107939 /nfs/dbraw/zinc/10/79/39/191107939.db2.gz IDBSPEMWRGCKSM-UHFFFAOYSA-N -1 0 249.049 2.617 50 0 BFAARM Cn1c(C(=O)[O-])cc2cc(C(F)(F)F)ccc21 ZINC000068592159 180614647 /nfs/dbraw/zinc/61/46/47/180614647.db2.gz BJHNBAXVLXMLIM-UHFFFAOYSA-N -1 0 243.184 2.895 50 0 BFAARM O=C([O-])c1ccc(Cl)cc1Br ZINC000002013305 187584498 /nfs/dbraw/zinc/58/44/98/187584498.db2.gz USMQLFCVCDEXAK-UHFFFAOYSA-N -1 0 235.464 2.801 50 0 BFAARM Cc1ccc(NCCC(=O)[O-])cc1Cl ZINC000020133737 187591204 /nfs/dbraw/zinc/59/12/04/187591204.db2.gz LEGMSTVMNKFIPR-UHFFFAOYSA-N -1 0 213.664 2.535 50 0 BFAARM Cc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1C ZINC000043214304 187605410 /nfs/dbraw/zinc/60/54/10/187605410.db2.gz PHIVZYIHGJWKOG-VIFPVBQESA-N -1 0 234.295 2.987 50 0 BFAARM O=Cc1sccc1-c1ccc(C(=O)[O-])cc1 ZINC000725272577 538104576 /nfs/dbraw/zinc/10/45/76/538104576.db2.gz RACOSBMZFJKRTR-UHFFFAOYSA-N -1 0 232.260 2.926 50 0 BFAARM CC1(C)C[C@]1(C(=O)[O-])c1ccc(F)cc1 ZINC000019088843 187935097 /nfs/dbraw/zinc/93/50/97/187935097.db2.gz RIOYANNPRFBSNF-GFCCVEGCSA-N -1 0 208.232 2.578 50 0 BFAARM O=C([O-])c1ncc(Cl)c(Cl)c1Cl ZINC000000139449 188272822 /nfs/dbraw/zinc/27/28/22/188272822.db2.gz SKURPVMALGSJSE-UHFFFAOYSA-N -1 0 226.446 2.740 50 0 BFAARM COc1ccc([C@@H](C(=O)[O-])C(C)C)cc1 ZINC000005761171 188277963 /nfs/dbraw/zinc/27/79/63/188277963.db2.gz OWSOZXBIUKEPTD-NSHDSACASA-N -1 0 208.257 2.519 50 0 BFAARM CC(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000012379703 188279764 /nfs/dbraw/zinc/27/97/64/188279764.db2.gz JIFAYRBNZNBMNZ-UHFFFAOYSA-N -1 0 235.283 2.641 50 0 BFAARM O=C([O-])C12CC3C[C@H](C1)C(F)(F)[C@@H](C3)C2 ZINC000032625269 188284172 /nfs/dbraw/zinc/28/41/72/188284172.db2.gz STPITGHNDOOTFQ-VZCHMASFSA-N -1 0 216.227 2.533 50 0 BFAARM O=C([O-])c1cccc2[nH]cc(Br)c21 ZINC000042684390 188294439 /nfs/dbraw/zinc/29/44/39/188294439.db2.gz ODMUJAAPJVSJQE-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM CC(/C=C\c1ccc(Cl)o1)=C/C(=O)[O-] ZINC000032307705 188358554 /nfs/dbraw/zinc/35/85/54/188358554.db2.gz CMGZBBDULSFUFW-QPHZJVINSA-N -1 0 212.632 2.977 50 0 BFAARM O=C([O-])c1ccc(Cl)c2ccncc12 ZINC000253534114 188370198 /nfs/dbraw/zinc/37/01/98/188370198.db2.gz ZFKAPYJGHMFFMO-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CC(C)[C@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000399619 188407478 /nfs/dbraw/zinc/40/74/78/188407478.db2.gz AJRMLQSJNSDUHW-VIFPVBQESA-N -1 0 236.267 2.586 50 0 BFAARM Nc1ccc2ccccc2c1SCC(=O)[O-] ZINC000005280476 355355931 /nfs/dbraw/zinc/35/59/31/355355931.db2.gz SVLQWUQXTYLDPE-UHFFFAOYSA-N -1 0 233.292 2.599 50 0 BFAARM COc1c(Cl)cc(C(C)=O)c([O-])c1Cl ZINC000200805157 538468961 /nfs/dbraw/zinc/46/89/61/538468961.db2.gz MGERHXRLYHPTCZ-UHFFFAOYSA-N -1 0 235.066 2.910 50 0 BFAARM CCCc1onc(-c2ccc(C)o2)c1C(=O)[O-] ZINC000675057760 538479681 /nfs/dbraw/zinc/47/96/81/538479681.db2.gz NQOFHBRRAFWISJ-UHFFFAOYSA-N -1 0 235.239 2.894 50 0 BFAARM CC(C)c1onc(-c2nccs2)c1C(=O)[O-] ZINC000675058293 538481223 /nfs/dbraw/zinc/48/12/23/538481223.db2.gz ZYMNWARUABZHRB-UHFFFAOYSA-N -1 0 238.268 2.620 50 0 BFAARM O=[S@@]([O-])c1ccc(Cl)cc1C(F)(F)F ZINC000125976869 538527690 /nfs/dbraw/zinc/52/76/90/538527690.db2.gz CGJOOJQWEJYLFK-UHFFFAOYSA-N -1 0 244.621 2.939 50 0 BFAARM COC(=C(Cl)Cl)c1ccc(C(=O)[O-])o1 ZINC000075260815 356928480 /nfs/dbraw/zinc/92/84/80/356928480.db2.gz KLOFKGDMIOJISX-UHFFFAOYSA-N -1 0 237.038 2.728 50 0 BFAARM CC[C@@H](C(=O)[O-])C1CCC(F)(F)CC1 ZINC000685951316 538894509 /nfs/dbraw/zinc/89/45/09/538894509.db2.gz GBIYVTGHSASMIY-MRVPVSSYSA-N -1 0 206.232 2.923 50 0 BFAARM CC[C@H](C(=O)[O-])C1CCC(F)(F)CC1 ZINC000685951317 538894812 /nfs/dbraw/zinc/89/48/12/538894812.db2.gz GBIYVTGHSASMIY-QMMMGPOBSA-N -1 0 206.232 2.923 50 0 BFAARM O=[S@@]([O-])c1c(Cl)cccc1Cl ZINC000039630627 361022562 /nfs/dbraw/zinc/02/25/62/361022562.db2.gz PXFQJDOKMKEDQY-UHFFFAOYSA-N -1 0 211.069 2.574 50 0 BFAARM O=Cc1sccc1-c1ccccc1C(=O)[O-] ZINC000218620333 541328986 /nfs/dbraw/zinc/32/89/86/541328986.db2.gz KBILOTPBQZILQI-UHFFFAOYSA-N -1 0 232.260 2.926 50 0 BFAARM COc1c2c(c(C)cc1C(=O)[O-])[C@H](C)CC2 ZINC000019909605 368372843 /nfs/dbraw/zinc/37/28/43/368372843.db2.gz DVYGMMRMKMVYCN-SSDOTTSWSA-N -1 0 220.268 2.752 50 0 BFAARM CC(C)[C@@H]1OC(=O)C(c2ccccc2)=C1[O-] ZINC000221531014 368402956 /nfs/dbraw/zinc/40/29/56/368402956.db2.gz XANGDIIGISVPEG-LBPRGKRZSA-N -1 0 218.252 2.537 50 0 BFAARM CCCCCNc1ccccc1C(=O)[O-] ZINC000008703075 370356946 /nfs/dbraw/zinc/35/69/46/370356946.db2.gz OTSQJSTZHBDLRW-UHFFFAOYSA-N -1 0 207.273 2.987 50 0 BFAARM Nc1ccc(-c2cccs2)cc1C(=O)[O-] ZINC000016946195 181695213 /nfs/dbraw/zinc/69/52/13/181695213.db2.gz PXSSPVWKCSZVKQ-UHFFFAOYSA-N -1 0 219.265 2.696 50 0 BFAARM CC(C)[C@@]1(CC(=O)[O-])CCOC(C)(C)C1 ZINC000004082488 372133140 /nfs/dbraw/zinc/13/31/40/372133140.db2.gz HHXDMHKUPHNFMF-GFCCVEGCSA-N -1 0 214.305 2.693 50 0 biogenic BFAARM O=C([O-])[C@H]1CCC[C@@H]1CC(=O)c1ccccc1 ZINC000083328603 182029422 /nfs/dbraw/zinc/02/94/22/182029422.db2.gz FUYQQVMUACOFNJ-NEPJUHHUSA-N -1 0 232.279 2.760 50 0 BFAARM O=C([N-]Cc1ccccc1Cl)C(F)(F)F ZINC000006222382 182257583 /nfs/dbraw/zinc/25/75/83/182257583.db2.gz WJAXRJAMOHVAKR-UHFFFAOYSA-N -1 0 237.608 2.519 50 0 BFAARM O=C([O-])/C=C/c1cc(F)ccc1C(F)(F)F ZINC000002560193 182411502 /nfs/dbraw/zinc/41/15/02/182411502.db2.gz LGTHHQOWFLXKQU-DAFODLJHSA-N -1 0 234.148 2.942 50 0 BFAARM O=C([O-])CC[C@H]1CCc2ccccc2C1 ZINC000004825599 182452177 /nfs/dbraw/zinc/45/21/77/182452177.db2.gz UXSTWPJLEBGWSJ-SNVBAGLBSA-N -1 0 204.269 2.656 50 0 BFAARM O=C([O-])CCc1cc2c(cn1)[nH]c1ccccc12 ZINC000169794995 182453312 /nfs/dbraw/zinc/45/33/12/182453312.db2.gz CVKFLVALSZVGJC-UHFFFAOYSA-N -1 0 240.262 2.733 50 0 BFAARM O=C([O-])[C@H](Cc1cccc(O)c1)c1ccccc1 ZINC000058001475 182526501 /nfs/dbraw/zinc/52/65/01/182526501.db2.gz FBLXBLMCMACDSZ-CQSZACIVSA-N -1 0 242.274 2.803 50 0 BFAARM O=C([O-])c1cc(Cl)c(F)cc1Cl ZINC000097437884 182554347 /nfs/dbraw/zinc/55/43/47/182554347.db2.gz DJSYJVXNIQXPCN-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM O=C([O-])c1ccc(Cl)c(F)c1Cl ZINC000035065824 182567293 /nfs/dbraw/zinc/56/72/93/182567293.db2.gz LBOGDFHFACXPKV-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM O=C([O-])c1cccc(-c2ccc(F)cc2F)n1 ZINC000035630174 182575727 /nfs/dbraw/zinc/57/57/27/182575727.db2.gz FUNOQGWVZGTACQ-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM O=C([O-])c1ccc(Nc2nccs2)cc1F ZINC000236474941 182569746 /nfs/dbraw/zinc/56/97/46/182569746.db2.gz PBWKJVXSTLIJRV-UHFFFAOYSA-N -1 0 238.243 2.724 50 0 BFAARM O=C([O-])c1ccc2nc(C(F)(F)F)ccc2c1 ZINC000035270100 182573143 /nfs/dbraw/zinc/57/31/43/182573143.db2.gz PDWMUXHPWPBHDJ-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])c1ccc2c(c1)[nH]c1c2CCCC1 ZINC000005001293 182573297 /nfs/dbraw/zinc/57/32/97/182573297.db2.gz PCWDMUSCUJPFII-UHFFFAOYSA-N -1 0 215.252 2.745 50 0 BFAARM O=C([O-])c1cccnc1Oc1ccccc1 ZINC000000150656 182584377 /nfs/dbraw/zinc/58/43/77/182584377.db2.gz CQGAXJGXGLVFGJ-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM CCCC[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000004299153 168993604 /nfs/dbraw/zinc/99/36/04/168993604.db2.gz KVAFMJHZXSBEFB-SECBINFHSA-N -1 0 245.319 2.545 50 0 BFAARM CCCCc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000001671522 169021163 /nfs/dbraw/zinc/02/11/63/169021163.db2.gz RHNAPQKAHBDNLV-MDZDMXLPSA-N -1 0 247.294 2.609 50 0 BFAARM CCCCc1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000009379573 169024540 /nfs/dbraw/zinc/02/45/40/169024540.db2.gz UMGYNDKFPNCPGA-UHFFFAOYSA-N -1 0 245.278 2.981 50 0 biogenic BFAARM [O-]c1c(Br)nccc1C(F)(F)F ZINC000098209945 183252952 /nfs/dbraw/zinc/25/29/52/183252952.db2.gz WCJIWARBOXDWMW-UHFFFAOYSA-N -1 0 241.994 2.569 50 0 BFAARM [O-]c1cc(Cl)c(Br)cc1F ZINC000263623542 183256297 /nfs/dbraw/zinc/25/62/97/183256297.db2.gz IJPATGHIFLKJRI-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM [O-]c1cn(-c2ccccc2)nc1C(F)(F)F ZINC000002569706 183304617 /nfs/dbraw/zinc/30/46/17/183304617.db2.gz ZHCWJNLQJDKCMO-UHFFFAOYSA-N -1 0 228.173 2.597 50 0 BFAARM O=c1[n-]c(=S)c2c(n1-c1ccccc1)CCC2 ZINC000000469354 183307402 /nfs/dbraw/zinc/30/74/02/183307402.db2.gz ZQPGVNGOSNPLPX-UHFFFAOYSA-N -1 0 244.319 2.796 50 0 BFAARM S=C([S-])N1N=CC[C@H]1c1ccccc1 ZINC000005647702 183312647 /nfs/dbraw/zinc/31/26/47/183312647.db2.gz ACEWBOIMCFVVKN-VIFPVBQESA-N -1 0 222.338 2.634 50 0 BFAARM CCCOc1ccc(SCC(=O)[O-])cc1 ZINC000003128937 169321034 /nfs/dbraw/zinc/32/10/34/169321034.db2.gz PJMHUMXPRDVKML-UHFFFAOYSA-N -1 0 226.297 2.652 50 0 BFAARM CCCOc1ccccc1/C=C/C(=O)[O-] ZINC000004237794 169326607 /nfs/dbraw/zinc/32/66/07/169326607.db2.gz AVGAJRVCSFECRC-BQYQJAHWSA-N -1 0 206.241 2.573 50 0 BFAARM CCCOc1nc(C(=O)[O-])cc2ccccc21 ZINC000037024822 169328342 /nfs/dbraw/zinc/32/83/42/169328342.db2.gz PBXKSLPJSWHEGK-UHFFFAOYSA-N -1 0 231.251 2.722 50 0 BFAARM CCCc1nc(-n2cccc2)sc1C(=O)[O-] ZINC000021781592 169582687 /nfs/dbraw/zinc/58/26/87/169582687.db2.gz GNZDWHQVBLNDQK-UHFFFAOYSA-N -1 0 236.296 2.585 50 0 BFAARM O=C([O-])CCCC(=O)Nc1ccc(Cl)cc1 ZINC000000241739 383848359 /nfs/dbraw/zinc/84/83/59/383848359.db2.gz WWDMQLBWGBGYGS-UHFFFAOYSA-N -1 0 241.674 2.533 50 0 BFAARM O=C([O-])CSC(=O)Sc1ccccc1 ZINC000000331605 383854427 /nfs/dbraw/zinc/85/44/27/383854427.db2.gz XZXXMODJMYTOOK-UHFFFAOYSA-N -1 0 228.294 2.717 50 0 BFAARM CCc1c(Br)cccc1C(=O)[O-] ZINC000066325801 383858137 /nfs/dbraw/zinc/85/81/37/383858137.db2.gz VXQLZSPAHPPVPE-UHFFFAOYSA-N -1 0 229.073 2.710 50 0 BFAARM CC(C)c1sc(-n2cccc2)nc1C(=O)[O-] ZINC000066442694 383865028 /nfs/dbraw/zinc/86/50/28/383865028.db2.gz GAQQZPDNPUZBOS-UHFFFAOYSA-N -1 0 236.296 2.755 50 0 BFAARM CC(C)(C)c1ccc2ncc(C(=O)[O-])c(O)c2c1 ZINC000035731175 383869052 /nfs/dbraw/zinc/86/90/52/383869052.db2.gz HZDOTDHRGIDSHM-UHFFFAOYSA-N -1 0 245.278 2.936 50 0 BFAARM CC[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000000568657 383875171 /nfs/dbraw/zinc/87/51/71/383875171.db2.gz AMFQZVLREQJRQU-SECBINFHSA-N -1 0 208.257 2.664 50 0 BFAARM CCN(CC)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000036202815 383886408 /nfs/dbraw/zinc/88/64/08/383886408.db2.gz JYDZPVFUUZVZOL-UHFFFAOYSA-N -1 0 249.310 2.580 50 0 BFAARM O=C([O-])CCCC(=O)c1c[nH]c2ccccc12 ZINC000001088045 383888577 /nfs/dbraw/zinc/88/85/77/383888577.db2.gz ODUVLUWKHFDMEZ-UHFFFAOYSA-N -1 0 231.251 2.606 50 0 biogenic BFAARM O=C([O-])CCSc1ccccc1Cl ZINC000003263913 384001953 /nfs/dbraw/zinc/00/19/53/384001953.db2.gz NYUNDDKGPQCWPL-UHFFFAOYSA-N -1 0 216.689 2.907 50 0 BFAARM CCCCOC(=O)Nc1ccccc1C(=O)[O-] ZINC000001770651 383936283 /nfs/dbraw/zinc/93/62/83/383936283.db2.gz ZQXZXAUTUQETOK-UHFFFAOYSA-N -1 0 237.255 2.733 50 0 BFAARM O=C([O-])CCS/C=C/c1ccccc1 ZINC000002170117 383953011 /nfs/dbraw/zinc/95/30/11/383953011.db2.gz KFDYJVLPKDVZJC-SOFGYWHQSA-N -1 0 208.282 2.865 50 0 BFAARM O=C([O-])CCCCC(=O)c1cccc(F)c1F ZINC000002378715 383960091 /nfs/dbraw/zinc/96/00/91/383960091.db2.gz WBRHZYWAENKQAE-UHFFFAOYSA-N -1 0 242.221 2.793 50 0 BFAARM O=C([O-])/C=C/c1ccc(Br)s1 ZINC000002504881 383966199 /nfs/dbraw/zinc/96/61/99/383966199.db2.gz UNAWXLDSXIIUFC-DUXPYHPUSA-N -1 0 233.086 2.608 50 0 BFAARM CCOc1ccc2c(cccc2C(=O)[O-])c1 ZINC000002508006 383968774 /nfs/dbraw/zinc/96/87/74/383968774.db2.gz GYSHJHMAWKWKTA-UHFFFAOYSA-N -1 0 216.236 2.937 50 0 BFAARM O=C([O-])Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000002527774 383971393 /nfs/dbraw/zinc/97/13/93/383971393.db2.gz VEEZRFPBIRDYOE-UHFFFAOYSA-N -1 0 238.592 2.986 50 0 BFAARM O=C([O-])/C=C/C1=Cc2cc(Cl)ccc2OC1 ZINC000004218923 384046490 /nfs/dbraw/zinc/04/64/90/384046490.db2.gz ZJGKTNRMAWNURS-DAFODLJHSA-N -1 0 236.654 2.757 50 0 BFAARM Cc1nc(-c2ccccc2)c(C(=O)[O-])s1 ZINC000004218573 384047173 /nfs/dbraw/zinc/04/71/73/384047173.db2.gz APXSARIYDLVPAY-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])Cc1c(Cl)ccc(Cl)c1F ZINC000038529771 384085655 /nfs/dbraw/zinc/08/56/55/384085655.db2.gz MYZIXNBBBSGEIP-UHFFFAOYSA-N -1 0 223.030 2.760 50 0 BFAARM O=C([O-])CCOc1ccc(Cl)c(Cl)c1 ZINC000005045916 384097385 /nfs/dbraw/zinc/09/73/85/384097385.db2.gz HIJYXPCTXDQKGU-UHFFFAOYSA-N -1 0 235.066 2.847 50 0 BFAARM O=C([O-])CCCOc1ccccc1Cl ZINC000005175411 384102908 /nfs/dbraw/zinc/10/29/08/384102908.db2.gz VWIPYKNRDUDVDQ-UHFFFAOYSA-N -1 0 214.648 2.584 50 0 BFAARM O=C([O-])C1(CC(=O)c2ccccc2)CCCC1 ZINC000040174741 384127596 /nfs/dbraw/zinc/12/75/96/384127596.db2.gz IFUOVRORMCMUOP-UHFFFAOYSA-N -1 0 232.279 2.904 50 0 BFAARM O=C([O-])c1cnc(Cl)c2ccccc12 ZINC000091691440 384138441 /nfs/dbraw/zinc/13/84/41/384138441.db2.gz VAPWFBQHRVYUDV-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CC1(C)CC(=O)c2cc(Cl)c([O-])cc2O1 ZINC000000173280 384268169 /nfs/dbraw/zinc/26/81/69/384268169.db2.gz IBWKHUGRSMJQKO-UHFFFAOYSA-N -1 0 226.659 2.789 50 0 BFAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000012030662 384307146 /nfs/dbraw/zinc/30/71/46/384307146.db2.gz XTJFPDDBFZQSKY-UHFFFAOYSA-N -1 0 235.283 2.678 50 0 BFAARM Cc1nc(-c2ccccc2C(=O)[O-])cs1 ZINC000012370832 384317619 /nfs/dbraw/zinc/31/76/19/384317619.db2.gz BNRSCIXYHUTATP-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM CC(C)/C(=C\C(=O)[O-])c1ccc(F)cc1 ZINC000011628563 384293872 /nfs/dbraw/zinc/29/38/72/384293872.db2.gz CDDBOBNKPAULGC-YRNVUSSQSA-N -1 0 208.232 2.950 50 0 BFAARM O=C([O-])CCOc1cccc(Cl)c1Cl ZINC000011889330 384302118 /nfs/dbraw/zinc/30/21/18/384302118.db2.gz CRNLCJQJWPINRV-UHFFFAOYSA-N -1 0 235.066 2.847 50 0 BFAARM O=C([O-])Cc1c[nH]c2ccc(C(F)(F)F)cc12 ZINC000011920385 384302281 /nfs/dbraw/zinc/30/22/81/384302281.db2.gz JSNULZACNINBHS-UHFFFAOYSA-N -1 0 243.184 2.814 50 0 BFAARM O=C([O-])COc1ccc2c(c1Cl)N=S=N2 ZINC000013116190 384348836 /nfs/dbraw/zinc/34/88/36/384348836.db2.gz JOKMZWMTODEYKE-UHFFFAOYSA-N -1 0 244.659 2.530 50 0 BFAARM Cc1cc(COc2ccc(C)cc2C(=O)[O-])no1 ZINC000013319299 384351756 /nfs/dbraw/zinc/35/17/56/384351756.db2.gz SUHNRZQLRPQOSU-UHFFFAOYSA-N -1 0 247.250 2.569 50 0 BFAARM CCc1ccc2c(c1)c(C)c(C(=O)[O-])n2C ZINC000013610668 384366953 /nfs/dbraw/zinc/36/69/53/384366953.db2.gz HYTAYHVZIPWDQJ-UHFFFAOYSA-N -1 0 217.268 2.747 50 0 BFAARM Cc1ccc(O[C@H](C)C(=O)[O-])cc1Cl ZINC000016970058 384477072 /nfs/dbraw/zinc/47/70/72/384477072.db2.gz GIKAVIQRFHJYGK-SSDOTTSWSA-N -1 0 214.648 2.500 50 0 BFAARM O=C([O-])Cc1cc(Cl)c(F)c(Cl)c1 ZINC000097437886 384520639 /nfs/dbraw/zinc/52/06/39/384520639.db2.gz BAMDDVIXUNBUPH-UHFFFAOYSA-N -1 0 223.030 2.760 50 0 BFAARM CC(C)(C)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000100023293 384610188 /nfs/dbraw/zinc/61/01/88/384610188.db2.gz NOSULZKBEJXMKJ-UHFFFAOYSA-N -1 0 216.284 2.825 50 0 BFAARM CC1(C(=O)[O-])C=CC([Si](C)(C)C)C=C1 ZINC000200056949 384664388 /nfs/dbraw/zinc/66/43/88/384664388.db2.gz HWIRVJCXPUMFGU-UHFFFAOYSA-N -1 0 210.349 2.912 50 0 BFAARM Cc1c2cc(OC(C)C)ccc2[nH]c1C(=O)[O-] ZINC000082604827 384696238 /nfs/dbraw/zinc/69/62/38/384696238.db2.gz VOEMWUBWBAHLSU-UHFFFAOYSA-N -1 0 233.267 2.962 50 0 BFAARM O=C([O-])c1cc2ccccc2n1CC1CC1 ZINC000082687450 384704953 /nfs/dbraw/zinc/70/49/53/384704953.db2.gz RYMNGKMARFHRAS-UHFFFAOYSA-N -1 0 215.252 2.750 50 0 BFAARM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[O-] ZINC000021955626 384709846 /nfs/dbraw/zinc/70/98/46/384709846.db2.gz RWSRIUVQFIXDLK-SNVBAGLBSA-N -1 0 222.284 2.970 50 0 BFAARM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[O-] ZINC000021955624 384710829 /nfs/dbraw/zinc/71/08/29/384710829.db2.gz RWSRIUVQFIXDLK-JTQLQIEISA-N -1 0 222.284 2.970 50 0 BFAARM Cc1cc(C(=O)[O-])c2nccc(C)c2c1 ZINC000082769969 384714700 /nfs/dbraw/zinc/71/47/00/384714700.db2.gz ADVMTLVIGZOWQD-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM c1cnc([N-]c2nc3ccccc3s2)nc1 ZINC000022607160 384767650 /nfs/dbraw/zinc/76/76/50/384767650.db2.gz CJTOFJMUMLSNLZ-UHFFFAOYSA-N -1 0 228.280 2.830 50 0 BFAARM O=C([O-])c1ccc(-c2cc(F)ccc2F)cn1 ZINC000061863372 385141662 /nfs/dbraw/zinc/14/16/62/385141662.db2.gz YYSUWABBJBNJIL-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM CCc1cccc2cc(C(=O)[O-])c(C)nc21 ZINC000032099661 385130370 /nfs/dbraw/zinc/13/03/70/385130370.db2.gz JJAMEZAXWWLCNW-UHFFFAOYSA-N -1 0 215.252 2.804 50 0 BFAARM Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)o1 ZINC000003159782 385137060 /nfs/dbraw/zinc/13/70/60/385137060.db2.gz FAPCPNKRGXBXAC-UHFFFAOYSA-N -1 0 246.218 2.505 50 0 BFAARM O=C([O-])CCCCC(=O)C1CCCCC1 ZINC000032227414 385138296 /nfs/dbraw/zinc/13/82/96/385138296.db2.gz ITWAGYWPYYIURG-UHFFFAOYSA-N -1 0 212.289 2.781 50 0 BFAARM O=C([O-])Cc1ccc(O)c(-c2ccccc2)c1 ZINC000062720064 385096075 /nfs/dbraw/zinc/09/60/75/385096075.db2.gz QSTRNCHHKMCZKJ-UHFFFAOYSA-N -1 0 228.247 2.686 50 0 in-vitro BFAARM O=C([O-])/C=C(\c1ccccc1)C(F)(F)F ZINC000033294725 385221316 /nfs/dbraw/zinc/22/13/16/385221316.db2.gz IZLDRXUDBMVNKB-SOFGYWHQSA-N -1 0 216.158 2.717 50 0 BFAARM O=C([O-])C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl ZINC000033687887 385264786 /nfs/dbraw/zinc/26/47/86/385264786.db2.gz KTMXBVDXHDBMDV-WCTZXXKLSA-N -1 0 249.137 2.927 50 0 BFAARM O=C([O-])C(=S)Cc1ccccc1Cl ZINC000100440655 385565619 /nfs/dbraw/zinc/56/56/19/385565619.db2.gz MDRWHBKNJMNZNG-VMPITWQZSA-N -1 0 214.673 2.695 50 0 BFAARM Cc1ccc2cc(Cl)cc(C(=O)[O-])c2n1 ZINC000082769957 385663291 /nfs/dbraw/zinc/66/32/91/385663291.db2.gz KTHJIDBJBJUURV-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM Cc1cc(F)cc2c(CC(=O)[O-])coc21 ZINC000129258162 387156867 /nfs/dbraw/zinc/15/68/67/387156867.db2.gz XUJYTRLQAHUTQK-UHFFFAOYSA-N -1 0 208.188 2.507 50 0 BFAARM O=C([O-])c1cccc(C(=O)Nc2ccsc2)c1 ZINC000090868375 387456232 /nfs/dbraw/zinc/45/62/32/387456232.db2.gz RJWCICZNNJXRLM-UHFFFAOYSA-N -1 0 247.275 2.699 50 0 BFAARM O=c1nc(Cc2cccs2)[n-]c2ccsc21 ZINC000053847602 387820819 /nfs/dbraw/zinc/82/08/19/387820819.db2.gz RTGDGMQQXYUHCN-UHFFFAOYSA-N -1 0 248.332 2.637 50 0 BFAARM O=C([O-])c1ccc(Oc2ccc(F)cc2)nc1 ZINC000022218140 388592847 /nfs/dbraw/zinc/59/28/47/388592847.db2.gz JJUJTNYRICRFHE-UHFFFAOYSA-N -1 0 233.198 2.711 50 0 BFAARM O=C(c1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC000075872240 388575854 /nfs/dbraw/zinc/57/58/54/388575854.db2.gz OJDWFMQQOBKHLC-UHFFFAOYSA-N -1 0 234.201 2.901 50 0 BFAARM Cc1ccc(Cn2cccc2C(=O)[O-])cc1 ZINC000035431433 388683055 /nfs/dbraw/zinc/68/30/55/388683055.db2.gz KFIDFMHDHGYAIB-UHFFFAOYSA-N -1 0 215.252 2.543 50 0 BFAARM Cc1cc(C(=O)[O-])cc(C)c1OC(C)C ZINC000020120517 388754424 /nfs/dbraw/zinc/75/44/24/388754424.db2.gz HVPYDBPPEXKIAY-UHFFFAOYSA-N -1 0 208.257 2.789 50 0 BFAARM Cc1cc(C(=O)[O-])cc(C(C)(C)C)c1O ZINC000000409860 388813643 /nfs/dbraw/zinc/81/36/43/388813643.db2.gz GGGUNKQEEMUVIG-UHFFFAOYSA-N -1 0 208.257 2.696 50 0 BFAARM CC(C)NC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000005937450 167085018 /nfs/dbraw/zinc/08/50/18/167085018.db2.gz PFVWGLPRQWZECA-UHFFFAOYSA-N -1 0 248.109 2.837 50 0 BFAARM CC(C)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC000061848545 167290034 /nfs/dbraw/zinc/29/00/34/167290034.db2.gz ACGZKCQTHXAZOX-UHFFFAOYSA-N -1 0 214.648 2.825 50 0 BFAARM CC(C)Oc1nc(C(=O)[O-])cc2ccccc21 ZINC000036951539 167313272 /nfs/dbraw/zinc/31/32/72/167313272.db2.gz LJUCYZSDTXTORG-UHFFFAOYSA-N -1 0 231.251 2.720 50 0 BFAARM CCC(=O)Nc1sc(C)c(CC)c1C(=O)[O-] ZINC000004652234 168247835 /nfs/dbraw/zinc/24/78/35/168247835.db2.gz DGAFJNPMVSRNRP-UHFFFAOYSA-N -1 0 241.312 2.666 50 0 BFAARM CCc1nc2ccc(C(=O)[O-])cc2s1 ZINC000031894167 172012418 /nfs/dbraw/zinc/01/24/18/172012418.db2.gz UYVINKDREZDAEG-UHFFFAOYSA-N -1 0 207.254 2.557 50 0 BFAARM COc1cc(C(=O)[O-])c(F)c(C(F)(F)F)c1 ZINC000091252096 174949367 /nfs/dbraw/zinc/94/93/67/174949367.db2.gz OVJKRERPBULYBW-UHFFFAOYSA-N -1 0 238.136 2.551 50 0 BFAARM COc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1 ZINC000001259047 175033415 /nfs/dbraw/zinc/03/34/15/175033415.db2.gz KJOHEDXEFMKOEF-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM COc1ccc(-c2cncc(C(=O)[O-])c2)c(C)c1 ZINC000049628927 175036931 /nfs/dbraw/zinc/03/69/31/175036931.db2.gz IRXSIXMNWNRLAN-UHFFFAOYSA-N -1 0 243.262 2.764 50 0 BFAARM COc1ccc(-c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000034613476 175038499 /nfs/dbraw/zinc/03/84/99/175038499.db2.gz HTSKIDWZGUZNHM-UHFFFAOYSA-N -1 0 249.291 2.825 50 0 BFAARM COc1ccc(Br)cc1[S-] ZINC000020587036 175051237 /nfs/dbraw/zinc/05/12/37/175051237.db2.gz NVWMBFHESONALO-UHFFFAOYSA-N -1 0 219.103 2.746 50 0 BFAARM COc1ccc(C([O-])=CC(=O)C(C)(C)C)cc1 ZINC000003876604 175053044 /nfs/dbraw/zinc/05/30/44/175053044.db2.gz OSXVBUXRCUKXPU-UHFFFAOYSA-N -1 0 234.295 2.883 50 0 BFAARM COc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000002389402 175067203 /nfs/dbraw/zinc/06/72/03/175067203.db2.gz ZXMIDYAIOHHLRW-UHFFFAOYSA-N -1 0 208.257 2.691 50 0 BFAARM COc1ccc(C2(C(=O)[O-])CCCCC2)cc1 ZINC000001594733 175083929 /nfs/dbraw/zinc/08/39/29/175083929.db2.gz JKJAJSWMKTWWJS-UHFFFAOYSA-N -1 0 234.295 2.982 50 0 BFAARM COc1ccc2c(c1)CCC[C@H]2CC(=O)[O-] ZINC000020259978 175207556 /nfs/dbraw/zinc/20/75/56/175207556.db2.gz XSGCUQLKTRSCDY-JTQLQIEISA-N -1 0 220.268 2.590 50 0 BFAARM COc1ccc2cc(C(=O)[O-])ccc2c1 ZINC000000128920 175224109 /nfs/dbraw/zinc/22/41/09/175224109.db2.gz YZBILXXOZFORFE-UHFFFAOYSA-N -1 0 202.209 2.547 50 0 biogenic,in-vitro BFAARM COc1cccc(C2(C(=O)[O-])CCCC2)c1 ZINC000033487196 175248438 /nfs/dbraw/zinc/24/84/38/175248438.db2.gz BDUMKMDZDPHFJH-UHFFFAOYSA-N -1 0 220.268 2.592 50 0 BFAARM COc1ccccc1C1(C(=O)[O-])CCCCC1 ZINC000020429457 175319664 /nfs/dbraw/zinc/31/96/64/175319664.db2.gz KCMRNPRZCCSZOA-UHFFFAOYSA-N -1 0 234.295 2.982 50 0 BFAARM COc1nc2ccc(Cl)cc2cc1C(=O)[O-] ZINC000084050819 175397094 /nfs/dbraw/zinc/39/70/94/175397094.db2.gz CIMZREFRONHEPZ-UHFFFAOYSA-N -1 0 237.642 2.595 50 0 BFAARM C[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000040740227 175627414 /nfs/dbraw/zinc/62/74/14/175627414.db2.gz JPPNPOBHKNSXQZ-ZCFIWIBFSA-N -1 0 218.174 2.894 50 0 BFAARM C[C@@H](Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000062711233 175773591 /nfs/dbraw/zinc/77/35/91/175773591.db2.gz GYQRELYOATWFIH-ZETCQYMHSA-N -1 0 232.201 2.969 50 0 BFAARM CC(C(=O)C(F)(F)F)=C([O-])c1ccccc1 ZINC000100229031 176589405 /nfs/dbraw/zinc/58/94/05/176589405.db2.gz MOOYLYCPAWODGB-SSDOTTSWSA-N -1 0 230.185 2.637 50 0 BFAARM C[C@H](Oc1cccc2ccccc21)C(=O)[O-] ZINC000000073856 177024202 /nfs/dbraw/zinc/02/42/02/177024202.db2.gz KTAVXDDWEGVLRN-VIFPVBQESA-N -1 0 216.236 2.692 50 0 BFAARM O=C([O-])c1c(F)c(F)c(F)c(F)c1Cl ZINC000001583746 490040894 /nfs/dbraw/zinc/04/08/94/490040894.db2.gz FTLLRNYFQGXOTN-UHFFFAOYSA-N -1 0 228.528 2.595 50 0 BFAARM O=C([O-])c1cc2[nH]c(-c3ccccc3)ccc-2n1 ZINC000214899526 490170073 /nfs/dbraw/zinc/17/00/73/490170073.db2.gz KZVUWAZGJINJSA-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM O=C([O-])c1ccccc1OCC1CCC1 ZINC000071788796 490278229 /nfs/dbraw/zinc/27/82/29/490278229.db2.gz AKLGYDDHGCAGBW-UHFFFAOYSA-N -1 0 206.241 2.564 50 0 BFAARM CSc1cc(Br)ccc1C(=O)[O-] ZINC000165960661 525922855 /nfs/dbraw/zinc/92/28/55/525922855.db2.gz RRNVSDPZVLBTGE-UHFFFAOYSA-N -1 0 247.113 2.869 50 0 BFAARM CCCC(=O)C=C([O-])c1cccc(C)c1 ZINC000042413623 582703167 /nfs/dbraw/zinc/70/31/67/582703167.db2.gz GDQCUJPWGSNYCS-UHFFFAOYSA-N -1 0 204.269 2.937 50 0 BFAARM CC(C)Oc1cccc(C(=O)[O-])c1Cl ZINC000307596987 643516381 /nfs/dbraw/zinc/51/63/81/643516381.db2.gz NANUKPNCPFPTCJ-UHFFFAOYSA-N -1 0 214.648 2.825 50 0 BFAARM Cc1cc(Cl)ccc1C(=O)CCC(=O)[O-] ZINC000043214211 178066648 /nfs/dbraw/zinc/06/66/48/178066648.db2.gz NSDRHDOONJOREQ-UHFFFAOYSA-N -1 0 226.659 2.696 50 0 BFAARM Cc1cc(Cl)ccc1OC(F)(F)C(=O)[O-] ZINC000005735231 178068673 /nfs/dbraw/zinc/06/86/73/178068673.db2.gz UIWBGJRQZHYKMJ-UHFFFAOYSA-N -1 0 236.601 2.705 50 0 BFAARM Cc1cc(Cl)nc(-c2ccccc2[O-])n1 ZINC000013123223 178071366 /nfs/dbraw/zinc/07/13/66/178071366.db2.gz SSJTVFAVNGBQDX-UHFFFAOYSA-N -1 0 220.659 2.811 50 0 BFAARM Cc1cc(O[C@H](C)C(=O)[O-])ccc1Cl ZINC000001019010 178213681 /nfs/dbraw/zinc/21/36/81/178213681.db2.gz DRKJHOSTQZAYFT-SSDOTTSWSA-N -1 0 214.648 2.500 50 0 BFAARM Cc1cc([O-])c(Sc2ccccc2)c(=O)o1 ZINC000006556531 178197430 /nfs/dbraw/zinc/19/74/30/178197430.db2.gz SZRWYWZYJHGAFX-UHFFFAOYSA-N -1 0 234.276 2.805 50 0 BFAARM Cc1cc(OC(F)(F)F)ccc1CC(=O)[O-] ZINC000016125772 178207985 /nfs/dbraw/zinc/20/79/85/178207985.db2.gz QAPHQXYMFGNMCK-UHFFFAOYSA-N -1 0 234.173 2.521 50 0 BFAARM Cc1ccc(-c2ccc(C(=O)[O-])n2C)cc1 ZINC000036917488 178322914 /nfs/dbraw/zinc/32/29/14/178322914.db2.gz WCCUEIGHMCMCRW-UHFFFAOYSA-N -1 0 215.252 2.699 50 0 BFAARM Cc1ccc(-c2nocc2CCC(=O)[O-])cc1 ZINC000169676690 178344629 /nfs/dbraw/zinc/34/46/29/178344629.db2.gz KYLLUUSCNQRKDK-UHFFFAOYSA-N -1 0 231.251 2.667 50 0 BFAARM Cc1ccc(-c2cnc(CCC(=O)[O-])o2)cc1C ZINC000049786152 178329440 /nfs/dbraw/zinc/32/94/40/178329440.db2.gz HLRWTSDBYAZNSW-UHFFFAOYSA-N -1 0 245.278 2.976 50 0 BFAARM O=C([O-])CCSCc1ccccc1F ZINC000002944819 398267257 /nfs/dbraw/zinc/26/72/57/398267257.db2.gz RIJPVJNBTBNSPA-UHFFFAOYSA-N -1 0 214.261 2.534 50 0 BFAARM O=[S@@]([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000204769882 538954330 /nfs/dbraw/zinc/95/43/30/538954330.db2.gz CYMAOLYXJVSCBC-UHFFFAOYSA-N -1 0 225.096 2.715 50 0 BFAARM Cc1ccc(-c2n[n-][nH]c2=S)c(C)c1 ZINC000000072497 342672764 /nfs/dbraw/zinc/67/27/64/342672764.db2.gz WZTMIYCJTAUZFP-SECBINFHSA-N -1 0 205.286 2.642 50 0 BFAARM COc1cc(/C=C/C(=O)[O-])ccc1OC(C)C ZINC000000147909 342677033 /nfs/dbraw/zinc/67/70/33/342677033.db2.gz HCIFIHNJOLFAAX-FNORWQNLSA-N -1 0 236.267 2.580 50 0 biogenic BFAARM O=C([O-])c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000000155050 342677832 /nfs/dbraw/zinc/67/78/32/342677832.db2.gz BJCTXUUKONLPPK-UHFFFAOYSA-N -1 0 224.215 2.596 50 0 in-vitro BFAARM O=C([O-])c1cc(C2CC2)nc2ccccc21 ZINC000000195179 342679720 /nfs/dbraw/zinc/67/97/20/342679720.db2.gz HYOFXKNWXLKLSH-UHFFFAOYSA-N -1 0 213.236 2.810 50 0 BFAARM Nc1cc(C(=O)[O-])ccc1NCc1ccccc1 ZINC000000235945 342680957 /nfs/dbraw/zinc/68/09/57/342680957.db2.gz IJSBQZWOISSWQM-UHFFFAOYSA-N -1 0 242.278 2.579 50 0 BFAARM O=C([O-])[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000000343609 342684228 /nfs/dbraw/zinc/68/42/28/342684228.db2.gz SHLDFCNQGMQVSJ-UONOGXRCSA-N -1 0 242.274 2.588 50 0 BFAARM COc1cc(C(=O)[O-])ccc1OCCC(C)C ZINC000000347877 342684391 /nfs/dbraw/zinc/68/43/91/342684391.db2.gz ZQKSBWFZSKQIQU-UHFFFAOYSA-N -1 0 238.283 2.818 50 0 BFAARM O=C([O-])c1cccc(-c2ccccc2)c1O ZINC000000394382 342685989 /nfs/dbraw/zinc/68/59/89/342685989.db2.gz ZJWUEJOPKFYFQD-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM CCSc1sc(CC)c(C(=O)[O-])c1C=O ZINC000000042384 342670919 /nfs/dbraw/zinc/67/09/19/342670919.db2.gz ZERRUDHBKSDREN-UHFFFAOYSA-N -1 0 244.337 2.933 50 0 BFAARM O=C([O-])c1cc(F)c(Cl)cc1Cl ZINC000000056742 342671953 /nfs/dbraw/zinc/67/19/53/342671953.db2.gz KZCWJHUTTSVCRO-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 in-vitro BFAARM CC(C)C(=O)c1cn(CC(=O)[O-])c2ccccc12 ZINC000000560923 342690202 /nfs/dbraw/zinc/69/02/02/342690202.db2.gz LRYCYXQTQVFFNH-UHFFFAOYSA-N -1 0 245.278 2.565 50 0 BFAARM O=C([O-])c1cc(-c2ccccc2Cl)on1 ZINC000000810961 342693128 /nfs/dbraw/zinc/69/31/28/342693128.db2.gz ZNPCZHXBSWBBCV-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM CC(C)(C)OP(=O)([O-])OC(C)(C)C ZINC000001558670 342702892 /nfs/dbraw/zinc/70/28/92/342702892.db2.gz YEWZQCDRZRYAEB-UHFFFAOYSA-N -1 0 210.210 2.717 50 0 BFAARM CCCCOc1ccc(C(=O)[O-])cc1F ZINC000002049149 342715511 /nfs/dbraw/zinc/71/55/11/342715511.db2.gz LJHZPEYGGUVQRY-UHFFFAOYSA-N -1 0 212.220 2.703 50 0 BFAARM Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1nccs1 ZINC000004218454 342744643 /nfs/dbraw/zinc/74/46/43/342744643.db2.gz XNZHWOUNXNIMSO-ONEGZZNKSA-N -1 0 248.307 2.648 50 0 BFAARM O=C([O-])c1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000004244828 342745372 /nfs/dbraw/zinc/74/53/72/342745372.db2.gz JQMUXXNJOLCBJJ-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM O=C([O-])[C@@H](O)c1cccc(Oc2ccccc2)c1 ZINC000002511048 342721811 /nfs/dbraw/zinc/72/18/11/342721811.db2.gz FPUCYPXKIFVDSD-ZDUSSCGKSA-N -1 0 244.246 2.597 50 0 BFAARM Cc1cnc2c(ccc(Cl)c2C(=O)[O-])c1 ZINC000002516979 342722304 /nfs/dbraw/zinc/72/23/04/342722304.db2.gz ALZOLUNSQWINIR-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 in-vitro BFAARM Nc1ccccc1-c1ccc(C(=O)[O-])cc1 ZINC000002522308 342722439 /nfs/dbraw/zinc/72/24/39/342722439.db2.gz WHEDDMZOIILSJP-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM O=C([O-])c1c[nH]c2ccc(Br)cc12 ZINC000002547984 342723898 /nfs/dbraw/zinc/72/38/98/342723898.db2.gz JVZMBSGNSAHFCY-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM CCOc1ccccc1C(=O)CCCC(=O)[O-] ZINC000002579969 342725485 /nfs/dbraw/zinc/72/54/85/342725485.db2.gz GEGKMAWTQMFHKN-UHFFFAOYSA-N -1 0 236.267 2.523 50 0 BFAARM Cc1[nH]c2ccc(Cl)cc2c1CC(=O)[O-] ZINC000002598725 342725990 /nfs/dbraw/zinc/72/59/90/342725990.db2.gz OAIODEZFMSXHFQ-UHFFFAOYSA-N -1 0 223.659 2.757 50 0 BFAARM CCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000002902426 342727779 /nfs/dbraw/zinc/72/77/79/342727779.db2.gz CCTHGSIZVOYDFZ-UHFFFAOYSA-N -1 0 224.643 2.714 50 0 BFAARM O=C([O-])c1ccc(/N=C/c2ccncc2)cc1 ZINC000005513373 342728852 /nfs/dbraw/zinc/72/88/52/342728852.db2.gz WGNODVYGRGBQOS-OQLLNIDSSA-N -1 0 226.235 2.530 50 0 BFAARM CC(C)c1cc(=O)oc2cc(O)ccc21 ZINC000003344962 342732758 /nfs/dbraw/zinc/73/27/58/342732758.db2.gz ZPZNGNXYGLIIKR-UHFFFAOYSA-N -1 0 204.225 2.622 50 0 BFAARM O=C([O-])c1ccc(C2SCCS2)cc1 ZINC000003356970 342733007 /nfs/dbraw/zinc/73/30/07/342733007.db2.gz TUFUEXHGSDXLLE-UHFFFAOYSA-N -1 0 226.322 2.863 50 0 BFAARM CSc1ccc(Cl)cc1CC(=O)[O-] ZINC000003750861 342737472 /nfs/dbraw/zinc/73/74/72/342737472.db2.gz QJSJXRVOBQVXLX-UHFFFAOYSA-N -1 0 216.689 2.689 50 0 BFAARM Cc1c(NCc2cccnc2)cccc1C(=O)[O-] ZINC000004935116 342754696 /nfs/dbraw/zinc/75/46/96/342754696.db2.gz NGXRKJYCGOTLFE-UHFFFAOYSA-N -1 0 242.278 2.700 50 0 BFAARM COc1ccc(CCCCC(=O)[O-])c(OC)c1 ZINC000005046353 342757105 /nfs/dbraw/zinc/75/71/05/342757105.db2.gz RFDYHAGXJFZRFL-UHFFFAOYSA-N -1 0 238.283 2.501 50 0 BFAARM Cc1cc(Cl)cc2c(O)c(C(=O)[O-])cnc12 ZINC000005687174 342768481 /nfs/dbraw/zinc/76/84/81/342768481.db2.gz DPLKYWZNVGBVNR-UHFFFAOYSA-N -1 0 237.642 2.600 50 0 BFAARM CCc1cc2c([n-]c(=S)n(CC)c2=O)s1 ZINC000006006304 342772364 /nfs/dbraw/zinc/77/23/64/342772364.db2.gz WHEDSZGVVOMYDM-UHFFFAOYSA-N -1 0 240.353 2.703 50 0 BFAARM O=C([O-])c1ccc(O[C@@H]2C=CCCC2)cc1 ZINC000004742616 342751538 /nfs/dbraw/zinc/75/15/38/342751538.db2.gz PDVBRFKIRWATOO-LLVKDONJSA-N -1 0 218.252 2.872 50 0 BFAARM CCOc1cc2ccccc2cc1C(=O)[O-] ZINC000008428174 342799226 /nfs/dbraw/zinc/79/92/26/342799226.db2.gz RZBCENNFWITWFC-UHFFFAOYSA-N -1 0 216.236 2.937 50 0 BFAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CC(C)C ZINC000012030648 178442131 /nfs/dbraw/zinc/44/21/31/178442131.db2.gz ZZUQMZLGKVBIQM-UHFFFAOYSA-N -1 0 235.283 2.678 50 0 BFAARM Cc1cc(C(=O)CCCC(=O)[O-])ccc1F ZINC000011631177 342841952 /nfs/dbraw/zinc/84/19/52/342841952.db2.gz DTRLZILYDPUEQG-UHFFFAOYSA-N -1 0 224.231 2.572 50 0 BFAARM C[C@H](C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000012954273 342861901 /nfs/dbraw/zinc/86/19/01/342861901.db2.gz BEBMIASBVSVAQI-LURJTMIESA-N -1 0 234.173 2.773 50 0 BFAARM Cc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000015441733 342896280 /nfs/dbraw/zinc/89/62/80/342896280.db2.gz QLFLVSLHVOQLTB-SNVBAGLBSA-N -1 0 220.268 2.679 50 0 BFAARM O=c1[nH]c(=S)[n-]c2c(Cl)cc(Cl)cc12 ZINC000016383368 342910483 /nfs/dbraw/zinc/91/04/83/342910483.db2.gz QMWXDNBFFNJKDM-UHFFFAOYSA-N -1 0 247.106 2.519 50 0 BFAARM O=C([O-])[C@]1(c2ccccc2)CC12CCCC2 ZINC000019089325 342941389 /nfs/dbraw/zinc/94/13/89/342941389.db2.gz IPJKMOYQWMAWPO-CQSZACIVSA-N -1 0 216.280 2.973 50 0 BFAARM CCCc1nc2cc(C(=O)[O-])cc(C)c2[nH]1 ZINC000021298136 343009301 /nfs/dbraw/zinc/00/93/01/343009301.db2.gz XWAJTVCEILFDGU-UHFFFAOYSA-N -1 0 218.256 2.522 50 0 in-vitro BFAARM O=C([O-])c1cc(N2CCCC2)ccc1Cl ZINC000021948235 343028814 /nfs/dbraw/zinc/02/88/14/343028814.db2.gz ARQHDZOZYQHAQM-UHFFFAOYSA-N -1 0 225.675 2.638 50 0 BFAARM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000022065597 343038676 /nfs/dbraw/zinc/03/86/76/343038676.db2.gz RCINGEKPKJQCMO-SECBINFHSA-N -1 0 220.268 2.713 50 0 in-vitro BFAARM O=C([O-])c1cncc(-c2ccsc2)c1 ZINC000022201056 343043826 /nfs/dbraw/zinc/04/38/26/343043826.db2.gz QZPQTJJXLAOEQZ-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])CCc1ccc(F)c2c1CCCC2 ZINC000584879979 343080370 /nfs/dbraw/zinc/08/03/70/343080370.db2.gz GJDSBWBDKKRJRJ-UHFFFAOYSA-N -1 0 222.259 2.722 50 0 BFAARM O=C([O-])c1ccc2ccc(C(F)(F)F)cc2n1 ZINC000026474790 343105578 /nfs/dbraw/zinc/10/55/78/343105578.db2.gz UJSASPCHJPRAQX-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])c1cnc2ccc(C(F)(F)F)cc2c1 ZINC000026507351 343106112 /nfs/dbraw/zinc/10/61/12/343106112.db2.gz VXSPVHGBXKWWCX-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM [O-]c1c(Cl)cccc1Br ZINC000002038970 187245509 /nfs/dbraw/zinc/24/55/09/187245509.db2.gz LUECOFFMVWPWDR-UHFFFAOYSA-N -1 0 207.454 2.808 50 0 BFAARM CC(/C=C/c1ccc(F)cc1)=C\C(=O)[O-] ZINC000004791038 187247935 /nfs/dbraw/zinc/24/79/35/187247935.db2.gz ICCWCVGICATMKV-VHYPUYLQSA-N -1 0 206.216 2.870 50 0 BFAARM CC(C)(C)Cc1ccc(CC(=O)[O-])cc1 ZINC000007023266 187248977 /nfs/dbraw/zinc/24/89/77/187248977.db2.gz ALDFGGOEJPJWRE-UHFFFAOYSA-N -1 0 206.285 2.902 50 0 BFAARM O=c1oc2cc([O-])c(Cl)cc2c2c1CCC2 ZINC000001808204 187245377 /nfs/dbraw/zinc/24/53/77/187245377.db2.gz HETUGUSWOXYKSY-UHFFFAOYSA-N -1 0 236.654 2.641 50 0 biogenic BFAARM CC(C=C1SC(=O)NC1=O)=Cc1ccccc1 ZINC000012342792 187250977 /nfs/dbraw/zinc/25/09/77/187250977.db2.gz XWGJEYLUCQLPAT-BIZFVBGRSA-N -1 0 245.303 2.957 50 0 BFAARM O=[S@]([O-])c1cc(Cl)ccc1Cl ZINC000033793933 343261077 /nfs/dbraw/zinc/26/10/77/343261077.db2.gz CAZDDRMAVQSBDV-UHFFFAOYSA-N -1 0 211.069 2.574 50 0 BFAARM C[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC000034469598 343271417 /nfs/dbraw/zinc/27/14/17/343271417.db2.gz MFVPTFUXSSLCTE-BYPYZUCNSA-N -1 0 235.102 2.699 50 0 BFAARM O=C([O-])c1ccc2c(Br)c[nH]c2c1 ZINC000034580216 343275346 /nfs/dbraw/zinc/27/53/46/343275346.db2.gz XZNVEIYDUGPMCS-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM O=C([O-])c1cc(Oc2ccccc2)ccn1 ZINC000036896277 343326673 /nfs/dbraw/zinc/32/66/73/343326673.db2.gz WITPTLOQYHPGNA-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM Cn1cc(C(=O)[O-])c(-c2ccc(Cl)s2)n1 ZINC000035286328 343292338 /nfs/dbraw/zinc/29/23/38/343292338.db2.gz NUDRZQBFENPWHP-UHFFFAOYSA-N -1 0 242.687 2.500 50 0 BFAARM O=C([O-])c1cc2ccccc2c(OCC2CC2)n1 ZINC000037372837 343343756 /nfs/dbraw/zinc/34/37/56/343343756.db2.gz HZNBOZWCGLPIAE-UHFFFAOYSA-N -1 0 243.262 2.722 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000037381099 343344214 /nfs/dbraw/zinc/34/42/14/343344214.db2.gz FJXYZGVJJOLGLQ-UHNVWZDZSA-N -1 0 202.662 2.590 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000037381104 343344376 /nfs/dbraw/zinc/34/43/76/343344376.db2.gz FJXYZGVJJOLGLQ-RFZPGFLSSA-N -1 0 202.662 2.590 50 0 BFAARM Cc1c(F)cccc1C(=O)CC(C)(C)C(=O)[O-] ZINC000043214315 343466369 /nfs/dbraw/zinc/46/63/69/343466369.db2.gz IYODIKTVBCVHOF-UHFFFAOYSA-N -1 0 238.258 2.818 50 0 BFAARM O=C([O-])c1cc(-c2ccccc2F)ccn1 ZINC000047204934 343559328 /nfs/dbraw/zinc/55/93/28/343559328.db2.gz ANEFLGDIAXNGAS-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])C12CCC(Br)(CC1)CC2 ZINC000005282751 343585075 /nfs/dbraw/zinc/58/50/75/343585075.db2.gz YGDOVZNMGWJAGR-UHFFFAOYSA-N -1 0 233.105 2.559 50 0 BFAARM Cc1cc(=O)n(-c2ccc(Cl)cc2F)[n-]1 ZINC000575602217 343591753 /nfs/dbraw/zinc/59/17/53/343591753.db2.gz IBGKDAYDXCAACQ-UHFFFAOYSA-N -1 0 226.638 2.592 50 0 BFAARM CC(C)=CCOc1cccc(CC(=O)[O-])c1 ZINC000042417287 187265606 /nfs/dbraw/zinc/26/56/06/187265606.db2.gz VBMWWWGCHHEABJ-UHFFFAOYSA-N -1 0 220.268 2.659 50 0 BFAARM COc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000085210443 187285678 /nfs/dbraw/zinc/28/56/78/187285678.db2.gz OBKVMDOVZJEWEF-UHFFFAOYSA-N -1 0 221.039 2.700 50 0 BFAARM O=c1c(O)c(-c2ccco2)oc2ccccc12 ZINC000000115144 344549707 /nfs/dbraw/zinc/54/97/07/344549707.db2.gz HBOLZGZNJWPFQR-UHFFFAOYSA-N -1 0 228.203 2.759 50 0 BFAARM O=c1c(-c2ccccn2)coc2cc([O-])ccc12 ZINC000000138904 344563927 /nfs/dbraw/zinc/56/39/27/344563927.db2.gz WKSMTKCZUMCYSS-UHFFFAOYSA-N -1 0 239.230 2.561 50 0 biogenic BFAARM CCC(=O)C1=C([O-])c2ccc(Cl)cc2C1 ZINC000127691390 344600554 /nfs/dbraw/zinc/60/05/54/344600554.db2.gz BJGUNCPFPCYGGO-SNVBAGLBSA-N -1 0 222.671 2.674 50 0 BFAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1 ZINC000000083803 345775223 /nfs/dbraw/zinc/77/52/23/345775223.db2.gz DSUPUOGOCIFZBG-UHFFFAOYSA-N -1 0 241.246 2.637 50 0 biogenic,in-vitro BFAARM Cc1c(F)c(O)ccc1Br ZINC000141232137 345839420 /nfs/dbraw/zinc/83/94/20/345839420.db2.gz RWLJENRVVKIEMC-UHFFFAOYSA-N -1 0 205.026 2.602 50 0 BFAARM O=C([O-])c1nc(-c2ccccc2)n2ccccc12 ZINC000020222666 187316477 /nfs/dbraw/zinc/31/64/77/187316477.db2.gz GULMCONBFXFKFF-UHFFFAOYSA-N -1 0 238.246 2.700 50 0 BFAARM CCc1nc(CC)c(-c2ccccc2)c(=O)[nH]1 ZINC000004565519 346250927 /nfs/dbraw/zinc/25/09/27/346250927.db2.gz PUTPPNVCMNYRFY-UHFFFAOYSA-N -1 0 228.295 2.562 50 0 BFAARM Cc1c(F)c(Cl)nc(Cl)c1C(=O)[O-] ZINC000034475767 346294361 /nfs/dbraw/zinc/29/43/61/346294361.db2.gz CACZOIOUVVFGLV-UHFFFAOYSA-N -1 0 224.018 2.534 50 0 BFAARM Cc1onc(C(=O)[O-])c1COc1cccc(C)c1 ZINC000006658332 179172377 /nfs/dbraw/zinc/17/23/77/179172377.db2.gz QOGZKUGXXHRAGJ-UHFFFAOYSA-N -1 0 247.250 2.569 50 0 BFAARM Cc1ccccc1-c1nc(=S)s[n-]1 ZINC000034465416 179241168 /nfs/dbraw/zinc/24/11/68/179241168.db2.gz KSRZZKBTNSCNME-UHFFFAOYSA-N -1 0 208.311 2.802 50 0 BFAARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C ZINC000100070239 179242174 /nfs/dbraw/zinc/24/21/74/179242174.db2.gz ZXMSVBRNJWRFPE-UHFFFAOYSA-N -1 0 202.257 2.503 50 0 BFAARM Cc1ccccc1C([O-])=CC(=O)C(F)(F)F ZINC000100072621 179245569 /nfs/dbraw/zinc/24/55/69/179245569.db2.gz NSWJGKUEKYWEEF-UHFFFAOYSA-N -1 0 230.185 2.699 50 0 BFAARM Cc1onc(-c2ccccc2C)c1C(=O)[O-] ZINC000016746085 179239226 /nfs/dbraw/zinc/23/92/26/179239226.db2.gz CBOGMXJKUKBSEQ-UHFFFAOYSA-N -1 0 217.224 2.657 50 0 BFAARM Cc1nc(C(=O)[O-])c(-c2ccc(F)cc2)s1 ZINC000041278107 179890845 /nfs/dbraw/zinc/89/08/45/179890845.db2.gz XYIAPLYZWWLUBC-UHFFFAOYSA-N -1 0 237.255 2.956 50 0 BFAARM Cc1onc(-c2cc(C)cc(C)c2)c1C(=O)[O-] ZINC000070535701 350018025 /nfs/dbraw/zinc/01/80/25/350018025.db2.gz OUKCUWYZHRKCRC-UHFFFAOYSA-N -1 0 231.251 2.965 50 0 BFAARM Cc1nc(N2CCCCCC2)sc1C(=O)[O-] ZINC000020156571 180001377 /nfs/dbraw/zinc/00/13/77/180001377.db2.gz YCRUVXKIIACRBR-UHFFFAOYSA-N -1 0 240.328 2.530 50 0 BFAARM Cc1nc2ccc(C(=O)[O-])cc2c2c1C[C@H](C)O2 ZINC000019735262 180088607 /nfs/dbraw/zinc/08/86/07/180088607.db2.gz HZMWUIGUTIJYJZ-ZETCQYMHSA-N -1 0 243.262 2.565 50 0 biogenic BFAARM CCCCCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000008433935 350154876 /nfs/dbraw/zinc/15/48/76/350154876.db2.gz XIHKZAWEGFWFLJ-UHFFFAOYSA-N -1 0 235.283 2.904 50 0 BFAARM O=Cc1sccc1-c1ccc(C(=O)[O-])o1 ZINC000725261186 538085555 /nfs/dbraw/zinc/08/55/55/538085555.db2.gz TYIQYGBEQIZUGW-UHFFFAOYSA-N -1 0 222.221 2.519 50 0 BFAARM O=Cc1cccc(-c2ccc(C(=O)[O-])o2)c1F ZINC000725261107 538086065 /nfs/dbraw/zinc/08/60/65/538086065.db2.gz NFTMPMFQXWGQKU-UHFFFAOYSA-N -1 0 234.182 2.596 50 0 BFAARM Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)[O-] ZINC000032264306 180327922 /nfs/dbraw/zinc/32/79/22/180327922.db2.gz KORDNSZOFTZOCA-HJWRWDBZSA-N -1 0 242.278 2.587 50 0 BFAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000034937852 180328468 /nfs/dbraw/zinc/32/84/68/180328468.db2.gz PQTBLOSRHVZLLL-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM CC(C)CC(=O)C=C([O-])c1ccccc1 ZINC000005424046 191122239 /nfs/dbraw/zinc/12/22/39/191122239.db2.gz XVTWRQCEQFDSBK-UHFFFAOYSA-N -1 0 204.269 2.875 50 0 BFAARM Cc1c(N)cccc1-c1ccc(C(=O)[O-])o1 ZINC000073640288 187598335 /nfs/dbraw/zinc/59/83/35/187598335.db2.gz AUUZRCVVOKSEJF-UHFFFAOYSA-N -1 0 217.224 2.535 50 0 BFAARM O=C([O-])CCc1ccc(F)c2ccccc12 ZINC000536952840 323959935 /nfs/dbraw/zinc/95/99/35/323959935.db2.gz HMQMDWQIOFQHLB-UHFFFAOYSA-N -1 0 218.227 2.996 50 0 BFAARM O=C([O-])c1c(F)c(F)cc2ccccc21 ZINC000000068614 188272184 /nfs/dbraw/zinc/27/21/84/188272184.db2.gz HQSZKMWMGQDJTF-UHFFFAOYSA-N -1 0 208.163 2.816 50 0 BFAARM O=C([O-])c1ccccc1SC(F)(F)F ZINC000002560226 188274772 /nfs/dbraw/zinc/27/47/72/188274772.db2.gz KYCFVGRNHSGPBJ-UHFFFAOYSA-N -1 0 222.187 2.997 50 0 BFAARM Cc1ccc2[nH]c(C(=O)[O-])c(Cl)c2c1 ZINC000019770075 188281534 /nfs/dbraw/zinc/28/15/34/188281534.db2.gz AVCWHEXQDFHGOB-UHFFFAOYSA-N -1 0 209.632 2.828 50 0 BFAARM CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)[O-] ZINC000026511245 188283173 /nfs/dbraw/zinc/28/31/73/188283173.db2.gz LWGNFNNMROYMAI-UHFFFAOYSA-N -1 0 244.294 2.868 50 0 BFAARM CCCCSc1nc(C)c(CC(=O)[O-])s1 ZINC000019812744 355465217 /nfs/dbraw/zinc/46/52/17/355465217.db2.gz ZUPAWHDCSFYLPH-UHFFFAOYSA-N -1 0 245.369 2.971 50 0 BFAARM Cc1c(C)c(C)c([S@@](=O)[O-])c(C)c1C ZINC000125977382 538526692 /nfs/dbraw/zinc/52/66/92/538526692.db2.gz QDLZHMDKAGUAFG-UHFFFAOYSA-N -1 0 212.314 2.809 50 0 BFAARM O=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000000078349 358076639 /nfs/dbraw/zinc/07/66/39/358076639.db2.gz UZKKMWJMAJGMPF-UHFFFAOYSA-N -1 0 241.246 2.637 50 0 BFAARM O=C([O-])c1c[nH]c2cc(Br)ccc12 ZINC000002547985 358160659 /nfs/dbraw/zinc/16/06/59/358160659.db2.gz INNZWYJJSSRJET-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM O=c1oc2cc([O-])ccc2cc1-c1ccccn1 ZINC000005741330 359660586 /nfs/dbraw/zinc/66/05/86/359660586.db2.gz UEPYLHAXHCZLCA-UHFFFAOYSA-N -1 0 239.230 2.561 50 0 BFAARM Cc1ccc(C([O-])=C2CCCC2=O)cc1 ZINC000105748086 369065301 /nfs/dbraw/zinc/06/53/01/369065301.db2.gz FKYCAUDUFLIHBQ-NSHDSACASA-N -1 0 202.253 2.547 50 0 BFAARM O=C([O-])c1sccc1NC(=O)c1ccccc1 ZINC000000169641 182390721 /nfs/dbraw/zinc/39/07/21/182390721.db2.gz AEBWJNJRYSGZCZ-UHFFFAOYSA-N -1 0 247.275 2.699 50 0 BFAARM O=C([O-])CCC(=O)c1cc(F)cc(Cl)c1 ZINC000004242542 182434140 /nfs/dbraw/zinc/43/41/40/182434140.db2.gz TYZQVKLGTNMCBN-UHFFFAOYSA-N -1 0 230.622 2.527 50 0 BFAARM O=C([O-])CCc1ccc(C(F)(F)F)cc1 ZINC000002568256 182454253 /nfs/dbraw/zinc/45/42/53/182454253.db2.gz OEIUMLSCWINLBB-UHFFFAOYSA-N -1 0 218.174 2.723 50 0 BFAARM O=C([O-])Cc1ccc(Cl)c(Br)c1 ZINC000071792958 182489773 /nfs/dbraw/zinc/48/97/73/182489773.db2.gz HSOHUCYEOZTHFH-UHFFFAOYSA-N -1 0 249.491 2.730 50 0 BFAARM O=C([O-])[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000343614 182530278 /nfs/dbraw/zinc/53/02/78/182530278.db2.gz SHLDFCNQGMQVSJ-KGLIPLIRSA-N -1 0 242.274 2.588 50 0 BFAARM O=C([O-])c1cc(Br)ccc1Cl ZINC000000388444 182552626 /nfs/dbraw/zinc/55/26/26/182552626.db2.gz FGERXQWKKIVFQG-UHFFFAOYSA-N -1 0 235.464 2.801 50 0 BFAARM O=C([O-])c1cc(OC(F)(F)F)ccc1Cl ZINC000095642853 182557659 /nfs/dbraw/zinc/55/76/59/182557659.db2.gz ISTISDWJBPDHOU-UHFFFAOYSA-N -1 0 240.564 2.937 50 0 BFAARM O=C([O-])c1cccc(Br)c1Cl ZINC000002013308 182576597 /nfs/dbraw/zinc/57/65/97/182576597.db2.gz LNURMIDMOXCNEH-UHFFFAOYSA-N -1 0 235.464 2.801 50 0 BFAARM O=C([O-])c1ccc2ccnc(Cl)c2c1 ZINC000063772308 182573290 /nfs/dbraw/zinc/57/32/90/182573290.db2.gz YGEAVRLLVLRDFR-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1cccc(-c2cccc(O)c2)c1 ZINC000002528944 182575364 /nfs/dbraw/zinc/57/53/64/182575364.db2.gz CTFCUBMVYRSJLK-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(F)cc2F)o1 ZINC000036929531 182561578 /nfs/dbraw/zinc/56/15/78/182561578.db2.gz JYALWXRVPHDFIX-UHFFFAOYSA-N -1 0 224.162 2.923 50 0 BFAARM O=C([O-])c1cccnc1Sc1ccccc1 ZINC000000131924 182584541 /nfs/dbraw/zinc/58/45/41/182584541.db2.gz MGIDOIDQQMOYTH-UHFFFAOYSA-N -1 0 231.276 2.931 50 0 BFAARM O=C([O-])c1csc(Nc2ccc(F)cc2)n1 ZINC000033507836 182594920 /nfs/dbraw/zinc/59/49/20/182594920.db2.gz LMPVEGRCFNNGAH-UHFFFAOYSA-N -1 0 238.243 2.724 50 0 BFAARM CCCCOc1ccc(F)c(CC(=O)[O-])c1F ZINC000098210721 168918072 /nfs/dbraw/zinc/91/80/72/168918072.db2.gz NRIDBSKTABRTOC-UHFFFAOYSA-N -1 0 244.237 2.771 50 0 BFAARM CCCC[P@](=O)([O-])COc1ccccc1O ZINC000004006706 169015955 /nfs/dbraw/zinc/01/59/55/169015955.db2.gz ZXNHUYJSOZGADW-UHFFFAOYSA-N -1 0 244.227 2.799 50 0 BFAARM CCCCn1c(C)nc2cc(C(=O)[O-])ccc21 ZINC000034961554 169034058 /nfs/dbraw/zinc/03/40/58/169034058.db2.gz BELVDXFGPYHCJE-UHFFFAOYSA-N -1 0 232.283 2.843 50 0 BFAARM O=C([O-])CSc1cc(Cl)nc(Cl)c1 ZINC000000154321 383836578 /nfs/dbraw/zinc/83/65/78/383836578.db2.gz RMEPHJNBCRKTHN-UHFFFAOYSA-N -1 0 238.095 2.565 50 0 BFAARM Cc1nc(-c2cccs2)sc1C(=O)[O-] ZINC000000168589 383838314 /nfs/dbraw/zinc/83/83/14/383838314.db2.gz DSMGYNWKEJBPKW-UHFFFAOYSA-N -1 0 225.294 2.878 50 0 BFAARM O=C([O-])CCSc1nc2ccccc2s1 ZINC000000192890 383841435 /nfs/dbraw/zinc/84/14/35/383841435.db2.gz DXSBAOMLHPFLMW-UHFFFAOYSA-N -1 0 239.321 2.863 50 0 in-vitro BFAARM O=C([O-])Cn1c2ccccc2c2c1CCCC2 ZINC000000808661 383879673 /nfs/dbraw/zinc/87/96/73/383879673.db2.gz NDLUYNBMLNNIRV-UHFFFAOYSA-N -1 0 229.279 2.605 50 0 BFAARM O=C([O-])C[C@@H]1Cc2cccc3cccc1c23 ZINC000000330085 383853451 /nfs/dbraw/zinc/85/34/51/383853451.db2.gz SPKBPOIDADRUPI-NSHDSACASA-N -1 0 212.248 2.954 50 0 BFAARM O=C([O-])Cc1ccccc1OC1CCCC1 ZINC000087797956 383866250 /nfs/dbraw/zinc/86/62/50/383866250.db2.gz URWGNKNYSDYOLP-UHFFFAOYSA-N -1 0 220.268 2.635 50 0 BFAARM Cc1ccc(OC(C)(C)C(=O)[O-])c2c1CCC2 ZINC000000132530 383830604 /nfs/dbraw/zinc/83/06/04/383830604.db2.gz WIBSAUIOPNFINN-UHFFFAOYSA-N -1 0 234.295 2.726 50 0 BFAARM O=C([O-])/C=C/C=C/c1ccc(Cl)cc1 ZINC000001577000 383907080 /nfs/dbraw/zinc/90/70/80/383907080.db2.gz XFRGOISOCUABHY-ZPUQHVIOSA-N -1 0 208.644 2.994 50 0 BFAARM CC(C)COc1ccc(CCC(=O)[O-])cc1 ZINC000036180883 383886498 /nfs/dbraw/zinc/88/64/98/383886498.db2.gz IGHBTTFLXCRBGF-UHFFFAOYSA-N -1 0 222.284 2.739 50 0 biogenic BFAARM O=C([O-])c1csc(Cc2ccccc2F)n1 ZINC000036220703 383887509 /nfs/dbraw/zinc/88/75/09/383887509.db2.gz XKYJCBCYEQTENY-UHFFFAOYSA-N -1 0 237.255 2.571 50 0 BFAARM Cc1[nH]c2ccc(C)cc2c1CCC(=O)[O-] ZINC000001995739 383942989 /nfs/dbraw/zinc/94/29/89/383942989.db2.gz OXLKRUQISCGSMH-UHFFFAOYSA-N -1 0 217.268 2.802 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1C ZINC000002245630 383956196 /nfs/dbraw/zinc/95/61/96/383956196.db2.gz UPTWQRAGCGYSIG-QWHCGFSZSA-N -1 0 246.306 2.987 50 0 BFAARM O=[P@@]([O-])(O)Cc1c(Cl)cccc1Cl ZINC000002178963 383957201 /nfs/dbraw/zinc/95/72/01/383957201.db2.gz CPPHQOFUDIOVLN-UHFFFAOYSA-N -1 0 241.010 2.671 50 0 BFAARM O=C([O-])CCCCC(=O)c1ccc(F)cc1F ZINC000002378719 383959314 /nfs/dbraw/zinc/95/93/14/383959314.db2.gz FQQOPNXAYXWRBX-UHFFFAOYSA-N -1 0 242.221 2.793 50 0 BFAARM O=C([O-])Cc1cccc(Cl)c1Cl ZINC000002386141 383960893 /nfs/dbraw/zinc/96/08/93/383960893.db2.gz YWMXEUIQZOQESD-UHFFFAOYSA-N -1 0 205.040 2.621 50 0 BFAARM O=C([O-])COc1ccccc1Cc1ccccc1 ZINC000002390401 383961771 /nfs/dbraw/zinc/96/17/71/383961771.db2.gz FNKKMCAPBFWQTQ-UHFFFAOYSA-N -1 0 242.274 2.741 50 0 BFAARM O=C([O-])CCCc1c[nH]c2ccc(F)cc12 ZINC000002512934 383969448 /nfs/dbraw/zinc/96/94/48/383969448.db2.gz IJAVCLNGRFTCBG-UHFFFAOYSA-N -1 0 221.231 2.714 50 0 BFAARM O=C([O-])CCCC(=O)c1ccc(F)c(Cl)c1 ZINC000004242544 384050234 /nfs/dbraw/zinc/05/02/34/384050234.db2.gz PMVIWNOQXCRBGZ-UHFFFAOYSA-N -1 0 244.649 2.917 50 0 BFAARM Cc1cc(C(C)(C)C)c(O)c(C)c1CC(=O)[O-] ZINC000038518582 384085167 /nfs/dbraw/zinc/08/51/67/384085167.db2.gz SZKABAZTVCKJNT-UHFFFAOYSA-N -1 0 236.311 2.934 50 0 BFAARM O=C([O-])CCc1cc(F)ccc1C(F)(F)F ZINC000038529617 384085925 /nfs/dbraw/zinc/08/59/25/384085925.db2.gz JHDJFXXGNKFTSB-UHFFFAOYSA-N -1 0 236.164 2.862 50 0 BFAARM Cc1cc(C(=O)[O-])ccc1NCc1ccccn1 ZINC000004935142 384091058 /nfs/dbraw/zinc/09/10/58/384091058.db2.gz WJQSUUZGSQJEQV-UHFFFAOYSA-N -1 0 242.278 2.700 50 0 BFAARM O=C([O-])c1cc(Cl)cc2cccnc21 ZINC000005162166 384103710 /nfs/dbraw/zinc/10/37/10/384103710.db2.gz GGHKFVNCVUIGRP-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 in-vitro BFAARM COc1c(Cl)ccc(/C=C/C(=O)[O-])c1F ZINC000091252117 384112806 /nfs/dbraw/zinc/11/28/06/384112806.db2.gz RBQIGCSSGNRGJR-HWKANZROSA-N -1 0 230.622 2.586 50 0 BFAARM O=C([O-])C[C@H](c1ccccc1)C(F)(F)F ZINC000038673747 384092569 /nfs/dbraw/zinc/09/25/69/384092569.db2.gz RYLOHTVBYHZHMN-MRVPVSSYSA-N -1 0 218.174 2.807 50 0 BFAARM O=C([O-])C1=CC[C@H](c2ccccc2)CC1 ZINC000071508379 384169513 /nfs/dbraw/zinc/16/95/13/384169513.db2.gz YRZUQRSZZQQEBL-NSHDSACASA-N -1 0 202.253 2.965 50 0 BFAARM CC(C)(C)c1ncc(/C=C/C(=O)[O-])s1 ZINC000071790789 384180025 /nfs/dbraw/zinc/18/00/25/384180025.db2.gz IPKFRAJDXFKWQW-SNAWJCMRSA-N -1 0 211.286 2.538 50 0 BFAARM Cc1cc(C)c(C)c2occ(CC(=O)[O-])c21 ZINC000008028757 384192006 /nfs/dbraw/zinc/19/20/06/384192006.db2.gz CUFRNCSINASUIQ-UHFFFAOYSA-N -1 0 218.252 2.985 50 0 BFAARM O=C([O-])C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000041701511 384196570 /nfs/dbraw/zinc/19/65/70/384196570.db2.gz WLYQHMMKMYCFAP-UHFFFAOYSA-N -1 0 246.184 2.701 50 0 BFAARM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000011959559 384305302 /nfs/dbraw/zinc/30/53/02/384305302.db2.gz YIDWVTSSFOIVPL-SNVBAGLBSA-N -1 0 228.675 2.828 50 0 BFAARM COc1ccc([C@@H](CC(=O)[O-])C2CC2)cc1C ZINC000011628830 384293233 /nfs/dbraw/zinc/29/32/33/384293233.db2.gz REQZEHJNXWOINF-LBPRGKRZSA-N -1 0 234.295 2.972 50 0 BFAARM O=C([O-])CCc1ccccc1C(F)(F)F ZINC000012954344 384344484 /nfs/dbraw/zinc/34/44/84/384344484.db2.gz YTDVNFDGHHHPEE-UHFFFAOYSA-N -1 0 218.174 2.723 50 0 in-vitro BFAARM O=C([O-])Cc1ccc(Cl)cc1Br ZINC000014989263 384415073 /nfs/dbraw/zinc/41/50/73/384415073.db2.gz BWAQWLHENYXBOQ-UHFFFAOYSA-N -1 0 249.491 2.730 50 0 BFAARM CC(C)(C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000096300520 384450601 /nfs/dbraw/zinc/45/06/01/384450601.db2.gz FOPARMLTSFOAEO-UHFFFAOYSA-N -1 0 248.200 2.947 50 0 BFAARM O=C([O-])Cc1ccc(Br)c(Cl)c1 ZINC000078710634 384456803 /nfs/dbraw/zinc/45/68/03/384456803.db2.gz RMGCJLITIJXUAB-UHFFFAOYSA-N -1 0 249.491 2.730 50 0 BFAARM O=C([O-])c1c(Cl)cc(F)cc1Cl ZINC000082046586 384644317 /nfs/dbraw/zinc/64/43/17/384644317.db2.gz NLVLBEXWAAXPCO-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM O=c1c2c([n-]n1-c1cccc(Cl)c1)CCC2 ZINC000103752519 384785971 /nfs/dbraw/zinc/78/59/71/384785971.db2.gz ZHJFENNMPNDNBM-JTQLQIEISA-N -1 0 234.686 2.843 50 0 BFAARM Cc1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000054348430 384836308 /nfs/dbraw/zinc/83/63/08/384836308.db2.gz LCJRUFKEVHYJBQ-UHFFFAOYSA-N -1 0 228.675 2.892 50 0 BFAARM COCc1nc(C(=O)[O-])c(-c2ccccc2)s1 ZINC000084427666 384865602 /nfs/dbraw/zinc/86/56/02/384865602.db2.gz RWWJBFLXONEUEO-UHFFFAOYSA-N -1 0 249.291 2.655 50 0 BFAARM O=C([O-])c1cc(F)cc(-c2ncccc2F)c1 ZINC000085477020 384948973 /nfs/dbraw/zinc/94/89/73/384948973.db2.gz XBHWTAHYZCUNLY-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM C[C@@H](CCCOc1ccccc1)C(=O)[O-] ZINC000057495301 384951289 /nfs/dbraw/zinc/95/12/89/384951289.db2.gz RZHFVRRFSUXIMP-JTQLQIEISA-N -1 0 208.257 2.566 50 0 BFAARM Cc1cc(C(=O)C[C@H](C)CC(=O)[O-])ccc1F ZINC000085652157 384961551 /nfs/dbraw/zinc/96/15/51/384961551.db2.gz JTZWWZFHWWKNII-QMMMGPOBSA-N -1 0 238.258 2.818 50 0 BFAARM CCc1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000018227439 385035912 /nfs/dbraw/zinc/03/59/12/385035912.db2.gz BUIAADVWUHKTNX-UHFFFAOYSA-N -1 0 248.307 2.575 50 0 BFAARM Cc1noc(C)c1-c1cc([O-])c(F)c(F)c1 ZINC000065532420 385323468 /nfs/dbraw/zinc/32/34/68/385323468.db2.gz FOMIAWQLHPCOCR-UHFFFAOYSA-N -1 0 225.194 2.942 50 0 BFAARM O=C([O-])c1cc(-c2ccc(F)cc2F)ccn1 ZINC000065347580 385300759 /nfs/dbraw/zinc/30/07/59/385300759.db2.gz YWDILFQLNVGMGN-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM O=C([O-])c1ccc(-c2ccccc2O)cc1F ZINC000065340065 385301095 /nfs/dbraw/zinc/30/10/95/385301095.db2.gz WUGOWZVWUWVIBV-UHFFFAOYSA-N -1 0 232.210 2.897 50 0 BFAARM CC(C)n1cc2cc(C(=O)[O-])sc2c1 ZINC000169676682 385416671 /nfs/dbraw/zinc/41/66/71/385416671.db2.gz AEYYXFRVXVQVHM-UHFFFAOYSA-N -1 0 209.270 2.982 50 0 BFAARM O=C([O-])Cc1cccn1-c1cccc(Cl)c1 ZINC000169676775 385417113 /nfs/dbraw/zinc/41/71/13/385417113.db2.gz WENWVKXMGLYDEA-UHFFFAOYSA-N -1 0 235.670 2.758 50 0 BFAARM O=C([O-])C[C@H](c1ccccc1F)n1cccc1 ZINC000005766013 385689970 /nfs/dbraw/zinc/68/99/70/385689970.db2.gz GHJWQKVBZZAKEQ-GFCCVEGCSA-N -1 0 233.242 2.691 50 0 BFAARM CC(=O)CCCCCCCCC(=O)[O-] ZINC000001845839 387240598 /nfs/dbraw/zinc/24/05/98/387240598.db2.gz UKHMENMPHVRROO-UHFFFAOYSA-N -1 0 200.278 2.781 50 0 BFAARM Cc1cc(C(=O)[O-])c2c(CC(C)(C)C)noc2n1 ZINC000019255301 177823650 /nfs/dbraw/zinc/82/36/50/177823650.db2.gz SVSKVVCYOFLHPE-UHFFFAOYSA-N -1 0 248.282 2.818 50 0 BFAARM Cn1cc(C(=O)[O-])c2ccc(Cl)cc21 ZINC000071492544 388095311 /nfs/dbraw/zinc/09/53/11/388095311.db2.gz UMVCXQBKCZPXCR-UHFFFAOYSA-N -1 0 209.632 2.530 50 0 BFAARM Cc1n[n-]c(=S)n1-c1cccc2ncccc21 ZINC000009420664 388432938 /nfs/dbraw/zinc/43/29/38/388432938.db2.gz MLWGRTXWOPVOBM-UHFFFAOYSA-N -1 0 242.307 2.787 50 0 BFAARM O=C(c1ccccc1)c1ccc([O-])c(F)c1 ZINC000075870754 388575644 /nfs/dbraw/zinc/57/56/44/388575644.db2.gz VASXVYOEWZNYEF-UHFFFAOYSA-N -1 0 216.211 2.762 50 0 BFAARM Cc1cc(C)cc(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000091676038 388642800 /nfs/dbraw/zinc/64/28/00/388642800.db2.gz UULJYEIVQURUSE-OLZOCXBDSA-N -1 0 246.306 2.987 50 0 BFAARM O=C([O-])c1coc(SCc2ccccc2)n1 ZINC000165927146 388699961 /nfs/dbraw/zinc/69/99/61/388699961.db2.gz PAERXEPSLUMGEP-UHFFFAOYSA-N -1 0 235.264 2.665 50 0 BFAARM Cc1sc(Nc2ccccc2)nc1C(=O)[O-] ZINC000095471971 388774584 /nfs/dbraw/zinc/77/45/84/388774584.db2.gz ILQXPZQNFAEZRD-UHFFFAOYSA-N -1 0 234.280 2.893 50 0 BFAARM CC[C@@]1(CC(=O)[O-])Cc2ccccc2C(=O)C1 ZINC000170091813 397821950 /nfs/dbraw/zinc/82/19/50/397821950.db2.gz LLANIAVLHAHRGR-CQSZACIVSA-N -1 0 232.279 2.687 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000020392474 397964128 /nfs/dbraw/zinc/96/41/28/397964128.db2.gz SHCKKENSUDTLMS-YUMQZZPRSA-N -1 0 230.185 2.894 50 0 BFAARM CC[C@@H](Sc1nc2ccccc2o1)C(=O)[O-] ZINC000004727861 397925948 /nfs/dbraw/zinc/92/59/48/397925948.db2.gz TYFJBPZESNTBKK-SECBINFHSA-N -1 0 237.280 2.783 50 0 BFAARM C[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000037462486 175771903 /nfs/dbraw/zinc/77/19/03/175771903.db2.gz WAXFQFBSRDYONP-ZETCQYMHSA-N -1 0 243.100 2.712 50 0 BFAARM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000037402711 166532803 /nfs/dbraw/zinc/53/28/03/166532803.db2.gz QMWGYGNMRYJPEV-UHFFFAOYSA-N -1 0 239.246 2.509 50 0 BFAARM CC(C)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000011956987 167634245 /nfs/dbraw/zinc/63/42/45/167634245.db2.gz IGTSFDFHCYFQCS-VIFPVBQESA-N -1 0 208.257 2.662 50 0 BFAARM Cc1c(C(=O)[O-])ccn1Cc1ccccc1 ZINC000108235947 411167124 /nfs/dbraw/zinc/16/71/24/411167124.db2.gz IKZHQAOKRXYAET-UHFFFAOYSA-N -1 0 215.252 2.543 50 0 BFAARM CCC(=O)C=C([O-])c1ccc(F)c(F)c1 ZINC000020375648 168198590 /nfs/dbraw/zinc/19/85/90/168198590.db2.gz FKSNNZZMCGHZMZ-UHFFFAOYSA-N -1 0 212.195 2.517 50 0 BFAARM CCOc1ccc(/C=C\C(=O)[O-])cc1OCC ZINC000006000292 170534722 /nfs/dbraw/zinc/53/47/22/170534722.db2.gz GFKHDVAIQPNASW-VURMDHGXSA-N -1 0 236.267 2.582 50 0 BFAARM CCOc1ccc(Cl)cc1/C=C/C(=O)[O-] ZINC000011886898 170548816 /nfs/dbraw/zinc/54/88/16/170548816.db2.gz KISRHHHPGJWJFH-ZZXKWVIFSA-N -1 0 226.659 2.837 50 0 BFAARM CCn1cc(-c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000169676784 172149090 /nfs/dbraw/zinc/14/90/90/172149090.db2.gz IWXWJYAXBMTJGT-UHFFFAOYSA-N -1 0 245.278 2.882 50 0 BFAARM CCn1cc(SCC(=O)[O-])c2ccccc21 ZINC000002555583 172192696 /nfs/dbraw/zinc/19/26/96/172192696.db2.gz MMJJISRIJIKCGW-UHFFFAOYSA-N -1 0 235.308 2.838 50 0 BFAARM COc1cc(/C=C/C(=O)[O-])ccc1C(F)(F)F ZINC000299805317 174940068 /nfs/dbraw/zinc/94/00/68/174940068.db2.gz IVXAOALQRRBBLF-HWKANZROSA-N -1 0 246.184 2.812 50 0 BFAARM COc1cc(OC(C)C)ccc1/C=C/C(=O)[O-] ZINC000034926245 175006115 /nfs/dbraw/zinc/00/61/15/175006115.db2.gz WQLNUTUUAVRGAR-FNORWQNLSA-N -1 0 236.267 2.580 50 0 BFAARM COc1ccc(-c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000002548389 175030689 /nfs/dbraw/zinc/03/06/89/175030689.db2.gz AQZLIAGPNPFISZ-UHFFFAOYSA-N -1 0 232.235 2.962 50 0 BFAARM COc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000004207356 175038787 /nfs/dbraw/zinc/03/87/87/175038787.db2.gz HWHHZTHVYFDJNK-UHFFFAOYSA-N -1 0 249.291 2.825 50 0 BFAARM COc1ccc(-c2ncccc2C(=O)[O-])cc1F ZINC000065347955 175040791 /nfs/dbraw/zinc/04/07/91/175040791.db2.gz IFWBPAAYTBBLDP-UHFFFAOYSA-N -1 0 247.225 2.595 50 0 BFAARM COc1ccc(/C=C(\C)CC(=O)[O-])cc1OC ZINC000004529023 175046525 /nfs/dbraw/zinc/04/65/25/175046525.db2.gz LAPBHTUQBIAUPL-RMKNXTFCSA-N -1 0 236.267 2.582 50 0 BFAARM COc1ccc(/C=C(\C)CC(=O)[O-])cc1 ZINC000004529099 175046804 /nfs/dbraw/zinc/04/68/04/175046804.db2.gz DFSMQUUSVDGKQH-VQHVLOKHSA-N -1 0 206.241 2.573 50 0 BFAARM COc1ccc(/C=C/C(=O)[O-])c(C(F)(F)F)c1 ZINC000044214330 175047577 /nfs/dbraw/zinc/04/75/77/175047577.db2.gz KIZGTKORCAWIMH-HWKANZROSA-N -1 0 246.184 2.812 50 0 BFAARM COc1ccc(Nc2ncccc2C(=O)[O-])cc1 ZINC000000194693 175156613 /nfs/dbraw/zinc/15/66/13/175156613.db2.gz XGRXAHKHESPCMV-UHFFFAOYSA-N -1 0 244.250 2.532 50 0 BFAARM COc1ccc2c(c1)c(C(=O)[O-])cn2C(C)C ZINC000079124035 175217819 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220.272 2.524 50 0 BFAARM Cc1ccc(C)n1[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000000378481 342685387 /nfs/dbraw/zinc/68/53/87/342685387.db2.gz CIUPYBFUPLMRLH-AWEZNQCLSA-N -1 0 243.306 2.973 50 0 BFAARM Cc1c(C(=O)[O-])cc(-c2ccccc2)n1C ZINC000000387931 342685831 /nfs/dbraw/zinc/68/58/31/342685831.db2.gz TWKHIBUROIJSPC-UHFFFAOYSA-N -1 0 215.252 2.699 50 0 BFAARM O=C([O-])c1ccc(Oc2ccc(O)cc2)cc1 ZINC000000392302 342685997 /nfs/dbraw/zinc/68/59/97/342685997.db2.gz KLXPCYHWTLAVLN-UHFFFAOYSA-N -1 0 230.219 2.883 50 0 BFAARM CC(C)c1nc2ccccc2n1[C@H](C)C(=O)[O-] ZINC000000781084 342692861 /nfs/dbraw/zinc/69/28/61/342692861.db2.gz RJIDVTBWWMPEGE-SECBINFHSA-N -1 0 232.283 2.805 50 0 BFAARM Cc1ccc(Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000000874101 342694073 /nfs/dbraw/zinc/69/40/73/342694073.db2.gz QZDDQBDGCWWPRA-UHFFFAOYSA-N -1 0 248.307 2.822 50 0 BFAARM Cc1ccc(F)c(/C=C/C(=O)[O-])c1Cl ZINC000002382034 342719429 /nfs/dbraw/zinc/71/94/29/342719429.db2.gz XURAOUQFLKLYBV-HWKANZROSA-N -1 0 214.623 2.885 50 0 BFAARM 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342729268 /nfs/dbraw/zinc/72/92/68/342729268.db2.gz HWMOWQJUBCIBME-UHFFFAOYSA-N -1 0 239.274 2.959 50 0 BFAARM O=C([O-])c1cc(Cl)cc(Cl)c1F ZINC000004648800 342750097 /nfs/dbraw/zinc/75/00/97/342750097.db2.gz ONFMZPUMZYDTSL-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM Nc1cc(C(=O)[O-])ccc1NC1CCCCC1 ZINC000004798252 342752286 /nfs/dbraw/zinc/75/22/86/342752286.db2.gz UKGXJCYVYQRBSB-UHFFFAOYSA-N -1 0 234.299 2.712 50 0 BFAARM O=S(=O)([O-])c1ccc2oc3ccccc3c2c1 ZINC000004798293 342752309 /nfs/dbraw/zinc/75/23/09/342752309.db2.gz JANFYPHFIPGYTQ-UHFFFAOYSA-N -1 0 248.259 2.833 50 0 BFAARM CCOc1cc2c(cc1CCC(=O)[O-])CCC2 ZINC000004985974 342755651 /nfs/dbraw/zinc/75/56/51/342755651.db2.gz YFOJVRAQJIZTOK-UHFFFAOYSA-N -1 0 234.295 2.591 50 0 BFAARM O=C([O-])c1ccc(N2CCCC2)c(Cl)c1 ZINC000005590438 342766666 /nfs/dbraw/zinc/76/66/66/342766666.db2.gz ICTYJBKSXOEFEB-UHFFFAOYSA-N -1 0 225.675 2.638 50 0 BFAARM Cc1ccc(Nc2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000008733480 342803986 /nfs/dbraw/zinc/80/39/86/342803986.db2.gz HEWYPQPESCARCJ-UHFFFAOYSA-N -1 0 243.266 2.535 50 0 BFAARM Cc1cc(C)nc([N-]c2nc3ccccc3o2)n1 ZINC000008972014 342806672 /nfs/dbraw/zinc/80/66/72/342806672.db2.gz FUZSURLWERISAS-UHFFFAOYSA-N -1 0 240.266 2.978 50 0 BFAARM Cc1ccc(C(C)(C)C)c(O)c1C(=O)[O-] ZINC000004787041 178448346 /nfs/dbraw/zinc/44/83/46/178448346.db2.gz JXQCUCDXLSGQNZ-UHFFFAOYSA-N -1 0 208.257 2.696 50 0 BFAARM Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O ZINC000011765802 342843235 /nfs/dbraw/zinc/84/32/35/342843235.db2.gz JMNRODDUVWGJDN-UHFFFAOYSA-N -1 0 224.643 2.769 50 0 BFAARM O=C([O-])[C@@H](Cc1ccccn1)c1ccc(F)cc1 ZINC000011570636 342841628 /nfs/dbraw/zinc/84/16/28/342841628.db2.gz GNTKFBQRFBTPAS-ZDUSSCGKSA-N -1 0 245.253 2.632 50 0 BFAARM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[O-])c1 ZINC000006009002 178452737 /nfs/dbraw/zinc/45/27/37/178452737.db2.gz MLHQFMJKIPOZEV-SNVBAGLBSA-N -1 0 222.284 2.970 50 0 BFAARM Cc1cccc(-c2csc(C(=O)[O-])n2)c1 ZINC000012404816 342851526 /nfs/dbraw/zinc/85/15/26/342851526.db2.gz ZMIPLPQTKFBYKB-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])c1cccn1CC1CCCCC1 ZINC000012506058 342852960 /nfs/dbraw/zinc/85/29/60/342852960.db2.gz GTAHLJYDSVYCNI-UHFFFAOYSA-N -1 0 207.273 2.767 50 0 BFAARM O=C([O-])c1cccnc1Nc1ccc(F)cc1 ZINC000013090319 342863526 /nfs/dbraw/zinc/86/35/26/342863526.db2.gz CUEJKLHNOMZKTP-UHFFFAOYSA-N -1 0 232.214 2.663 50 0 BFAARM CCCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000013957505 342874947 /nfs/dbraw/zinc/87/49/47/342874947.db2.gz OYDAXENJTPWLSC-UHFFFAOYSA-N -1 0 241.674 2.777 50 0 BFAARM Cc1cc(C)cc(C(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000015441736 342896395 /nfs/dbraw/zinc/89/63/95/342896395.db2.gz ZIAFOVWJWRSOIR-LLVKDONJSA-N -1 0 234.295 2.987 50 0 BFAARM Fc1ccc([S-])cc1Br ZINC000015442771 342896420 /nfs/dbraw/zinc/89/64/20/342896420.db2.gz HXQRAQKAGXRFEM-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM CC(C)c1noc2nc(C3CC3)cc(C(=O)[O-])c21 ZINC000016807324 342915872 /nfs/dbraw/zinc/91/58/72/342915872.db2.gz OSUYSRDLVHWIMU-UHFFFAOYSA-N -1 0 246.266 2.922 50 0 BFAARM Cc1ccc2[nH]c(CCCC(=O)[O-])nc2c1C ZINC000019737145 342955728 /nfs/dbraw/zinc/95/57/28/342955728.db2.gz JZEWEUNDKAZCDI-UHFFFAOYSA-N -1 0 232.283 2.587 50 0 BFAARM O=C([O-])[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000019726473 342955004 /nfs/dbraw/zinc/95/50/04/342955004.db2.gz FCBCYACIDMQJTN-JTQLQIEISA-N -1 0 210.660 2.918 50 0 BFAARM O=C([O-])c1ccccc1CCc1ccncc1 ZINC000019735531 342955318 /nfs/dbraw/zinc/95/53/18/342955318.db2.gz ZQMDQHXTINOIEI-UHFFFAOYSA-N -1 0 227.263 2.565 50 0 BFAARM Cc1ccc(Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000019845244 342959823 /nfs/dbraw/zinc/95/98/23/342959823.db2.gz YIXNMWPGEVDWHH-UHFFFAOYSA-N -1 0 228.251 2.832 50 0 BFAARM CCCc1c(C(=O)[O-])cnn1-c1cccc(C)c1 ZINC000020082321 342968511 /nfs/dbraw/zinc/96/85/11/342968511.db2.gz WMVLUGLNIKMNTD-UHFFFAOYSA-N -1 0 244.294 2.831 50 0 BFAARM O=C([O-])c1cc(Oc2ccccc2)ccc1O ZINC000020593688 342991853 /nfs/dbraw/zinc/99/18/53/342991853.db2.gz YBZCZJNOZGZSFX-UHFFFAOYSA-N -1 0 230.219 2.883 50 0 BFAARM O=C([O-])c1ncsc1-c1ccc(F)cc1 ZINC000020357796 342983653 /nfs/dbraw/zinc/98/36/53/342983653.db2.gz JZMLWMLVMILJNO-UHFFFAOYSA-N -1 0 223.228 2.647 50 0 BFAARM O=C([O-])c1cccc(-c2ccccc2CO)c1 ZINC000022011143 343034683 /nfs/dbraw/zinc/03/46/83/343034683.db2.gz LIUSEGRHRKNETK-UHFFFAOYSA-N -1 0 228.247 2.544 50 0 BFAARM C/C(=C\c1cccc(Br)c1)C(=O)[O-] ZINC000004529040 187246711 /nfs/dbraw/zinc/24/67/11/187246711.db2.gz OGRUHQXSAHUXOT-FNORWQNLSA-N -1 0 241.084 2.937 50 0 BFAARM CC(C)c1ccc([C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000031829273 343225534 /nfs/dbraw/zinc/22/55/34/343225534.db2.gz NOGUBTGKXFAAGO-VXGBXAGGSA-N -1 0 204.269 2.998 50 0 BFAARM C[C@@H](CC(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000032178860 343230570 /nfs/dbraw/zinc/23/05/70/343230570.db2.gz LTEAZNXORJPLBP-ZETCQYMHSA-N -1 0 226.659 2.634 50 0 BFAARM O=C([O-])c1ccc2c(Cl)ccnc2c1 ZINC000032914908 343244144 /nfs/dbraw/zinc/24/41/44/343244144.db2.gz VMGVGPMZWPOPJP-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CCCc1c(O)ccc(C(=O)C(F)(F)F)c1[O-] ZINC000034310112 343268128 /nfs/dbraw/zinc/26/81/28/343268128.db2.gz FNUWZRSFCFUFFU-UHFFFAOYSA-N -1 0 248.200 2.795 50 0 BFAARM O=C([O-])c1ccccc1-c1ccccc1/C=N/O ZINC000000437742 343269944 /nfs/dbraw/zinc/26/99/44/343269944.db2.gz KNHYITNFWPDHPS-OQLLNIDSSA-N -1 0 241.246 2.860 50 0 BFAARM CC(C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000034590700 343275364 /nfs/dbraw/zinc/27/53/64/343275364.db2.gz BTCKPHZRFQRLHP-UHFFFAOYSA-N -1 0 212.676 2.993 50 0 BFAARM Fc1cccc(Cl)c1Cc1n[n-]c(=S)o1 ZINC000034964274 343281923 /nfs/dbraw/zinc/28/19/23/343281923.db2.gz RHITZEQDAPOBMB-UHFFFAOYSA-N -1 0 244.678 2.742 50 0 BFAARM C[C@@H](CSc1ccc(F)cc1)C(=O)[O-] ZINC000035756614 343303784 /nfs/dbraw/zinc/30/37/84/343303784.db2.gz IVJVOKXHGHSVSE-ZETCQYMHSA-N -1 0 214.261 2.639 50 0 BFAARM O=C1CCCCC1=C([O-])c1cccs1 ZINC000038193344 343372801 /nfs/dbraw/zinc/37/28/01/343372801.db2.gz ALPXVBJYDYHXST-QMMMGPOBSA-N -1 0 208.282 2.690 50 0 BFAARM Cc1c(C(=O)[O-])n[nH]c1-c1ccc(Cl)cc1 ZINC000038478097 343375122 /nfs/dbraw/zinc/37/51/22/343375122.db2.gz VUWBFEYSOONJRC-UHFFFAOYSA-N -1 0 236.658 2.737 50 0 BFAARM Cc1cccc(-c2cc(C(=O)[O-])ccn2)c1 ZINC000041226822 343417363 /nfs/dbraw/zinc/41/73/63/343417363.db2.gz IAIXMJKQOKCRSW-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM CC(C)CCn1ncc(C(=O)[O-])c1C(C)C ZINC000042439549 343438477 /nfs/dbraw/zinc/43/84/77/343438477.db2.gz IDTHVNQVYDPZCC-UHFFFAOYSA-N -1 0 224.304 2.751 50 0 BFAARM O=C([O-])[C@@H]1CC[C@H](C(=O)c2cccc(F)c2)C1 ZINC000043878973 343486496 /nfs/dbraw/zinc/48/64/96/343486496.db2.gz DOKDVGNQZDVNNL-VHSXEESVSA-N -1 0 236.242 2.509 50 0 BFAARM CSc1ccccc1C(=O)CCCC(=O)[O-] ZINC000043214201 343465807 /nfs/dbraw/zinc/46/58/07/343465807.db2.gz VKIQIMWABFPHRI-UHFFFAOYSA-N -1 0 238.308 2.846 50 0 BFAARM Cc1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1C ZINC000043214302 343466543 /nfs/dbraw/zinc/46/65/43/343466543.db2.gz FSPTXYPFFOVVPY-UHFFFAOYSA-N -1 0 234.295 2.987 50 0 BFAARM Cc1c(O)ccc(Br)c1F ZINC000095929143 187289196 /nfs/dbraw/zinc/28/91/96/187289196.db2.gz BOINEAWTTLAFEN-UHFFFAOYSA-N -1 0 205.026 2.602 50 0 BFAARM Cc1oc2ccc(O)c(Cl)c2c1C(=O)[O-] ZINC000000078995 344242463 /nfs/dbraw/zinc/24/24/63/344242463.db2.gz LMMHHIPPKLWJIL-UHFFFAOYSA-N -1 0 226.615 2.798 50 0 BFAARM Cc1ccc([C@@H](Cc2ccco2)C(=O)[O-])cc1 ZINC000011588872 178856679 /nfs/dbraw/zinc/85/66/79/178856679.db2.gz AYCXTNSWTGBGJR-CYBMUJFWSA-N -1 0 230.263 2.999 50 0 BFAARM Cc1cccc(C(=O)C[C@@H](C)CC(=O)[O-])c1C ZINC000043214292 179003933 /nfs/dbraw/zinc/00/39/33/179003933.db2.gz GFSARUVAIABOEI-SECBINFHSA-N -1 0 234.295 2.987 50 0 BFAARM Cc1cc(=O)oc2c3[n-]c(=S)oc3ccc12 ZINC000005534450 346266500 /nfs/dbraw/zinc/26/65/00/346266500.db2.gz OINUFFACFMJGFU-UHFFFAOYSA-N -1 0 233.248 2.531 50 0 BFAARM Cc1cccc(C)c1C(=O)c1ccc(O)cc1[O-] ZINC000000345842 179033263 /nfs/dbraw/zinc/03/32/63/179033263.db2.gz GBVRBZOBLBOKTH-UHFFFAOYSA-N -1 0 242.274 2.946 50 0 BFAARM Cc1cccc(C)c1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000002245610 179033527 /nfs/dbraw/zinc/03/35/27/179033527.db2.gz GSBKTQBHLQMSDH-NEPJUHHUSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1cccc(C)c1C(=O)C[C@@H](C)CC(=O)[O-] ZINC000043214300 179028628 /nfs/dbraw/zinc/02/86/28/179028628.db2.gz JXNVEMDRLFYSHU-SECBINFHSA-N -1 0 234.295 2.987 50 0 BFAARM CCc1cc(=O)oc2cc(C)c(C(C)=O)c([O-])c12 ZINC000012296435 349959779 /nfs/dbraw/zinc/95/97/79/349959779.db2.gz KQEUQJGEPXQWAD-UHFFFAOYSA-N -1 0 246.262 2.572 50 0 biogenic BFAARM Cc1ccccc1-c1nocc1CCC(=O)[O-] ZINC000169676694 179240950 /nfs/dbraw/zinc/24/09/50/179240950.db2.gz AUNURBYUBVOFIR-UHFFFAOYSA-N -1 0 231.251 2.667 50 0 BFAARM Cc1ccccc1Nc1nc(C(=O)[O-])cs1 ZINC000002528916 179308630 /nfs/dbraw/zinc/30/86/30/179308630.db2.gz IUQPXTTVIWXDBO-UHFFFAOYSA-N -1 0 234.280 2.893 50 0 BFAARM Cc1nc(NC2CCCC2)sc1C(=O)[O-] ZINC000008024709 180015403 /nfs/dbraw/zinc/01/54/03/180015403.db2.gz CXFBKDIZGGDBRD-UHFFFAOYSA-N -1 0 226.301 2.504 50 0 BFAARM Cc1nc2ccccc2c(C(=O)[O-])c1C ZINC000001610381 180101546 /nfs/dbraw/zinc/10/15/46/180101546.db2.gz HBLZFANAJAJVRQ-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM Cc1noc(C)c1COc1cccc(C(=O)[O-])c1 ZINC000000087844 180474793 /nfs/dbraw/zinc/47/47/93/180474793.db2.gz NSODFQJPVJFTLK-UHFFFAOYSA-N -1 0 247.250 2.569 50 0 BFAARM Nc1cc(-c2ccccc2)ccc1C(=O)[O-] ZINC000000198649 188272062 /nfs/dbraw/zinc/27/20/62/188272062.db2.gz PJFIQJMFRCTVSX-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM O=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000000156436 188272099 /nfs/dbraw/zinc/27/20/99/188272099.db2.gz UMOGQQWVQUQTQA-UHFFFAOYSA-N -1 0 222.187 2.997 50 0 BFAARM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[O-] ZINC000012437242 188279401 /nfs/dbraw/zinc/27/94/01/188279401.db2.gz CILPHQCEVYJUDN-MXWKQRLJSA-N -1 0 214.305 2.548 50 0 BFAARM CC(C)Cn1cc(C=O)c2c1cccc2C(=O)[O-] ZINC000019701913 188281477 /nfs/dbraw/zinc/28/14/77/188281477.db2.gz HRRNWZCAOFUVDE-UHFFFAOYSA-N -1 0 245.278 2.808 50 0 biogenic BFAARM CC(C)(C)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000020506588 188282377 /nfs/dbraw/zinc/28/23/77/188282377.db2.gz YPCKHPPKPKEHMI-SNVBAGLBSA-N -1 0 208.257 2.627 50 0 BFAARM CCc1cc(Br)ccc1C(=O)[O-] ZINC000039102882 188290513 /nfs/dbraw/zinc/29/05/13/188290513.db2.gz QICLFMFOLSIPOD-UHFFFAOYSA-N -1 0 229.073 2.710 50 0 BFAARM O=C([O-])c1ccc(Cl)cc1OC(F)F ZINC000042392668 188294047 /nfs/dbraw/zinc/29/40/47/188294047.db2.gz HGASHYZSZYKNEH-UHFFFAOYSA-N -1 0 222.574 2.640 50 0 BFAARM Cc1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000043214218 188295436 /nfs/dbraw/zinc/29/54/36/188295436.db2.gz BDWFFUPISWVWNI-UHFFFAOYSA-N -1 0 220.268 2.679 50 0 BFAARM Cc1c(F)cccc1C(=O)C[C@H](C)CC(=O)[O-] ZINC000043214317 188295563 /nfs/dbraw/zinc/29/55/63/188295563.db2.gz OFHJPQDOXOQPBW-QMMMGPOBSA-N -1 0 238.258 2.818 50 0 BFAARM Cc1ccc(F)cc1C(=O)C[C@H](C)CC(=O)[O-] ZINC000085652155 188317199 /nfs/dbraw/zinc/31/71/99/188317199.db2.gz CNZHUZIDDMGKNP-QMMMGPOBSA-N -1 0 238.258 2.818 50 0 BFAARM CCc1ccc(Br)c(C(=O)[O-])c1 ZINC000095628572 188319907 /nfs/dbraw/zinc/31/99/07/188319907.db2.gz APZKAKQIWDKNNH-UHFFFAOYSA-N -1 0 229.073 2.710 50 0 BFAARM C/C=C/C=C\C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000096404592 188364889 /nfs/dbraw/zinc/36/48/89/188364889.db2.gz VQYQPAGETXLFQA-ICWBMWKASA-N -1 0 245.278 2.764 50 0 BFAARM CC(C)(C)c1onc(-c2ccc[nH]2)c1C(=O)[O-] ZINC000675057718 538480458 /nfs/dbraw/zinc/48/04/58/538480458.db2.gz LLDIDNGIAWYLOS-UHFFFAOYSA-N -1 0 234.255 2.665 50 0 BFAARM CC(C)Cc1onc(-c2ccc[nH]2)c1C(=O)[O-] ZINC000675057929 538480983 /nfs/dbraw/zinc/48/09/83/538480983.db2.gz SAUJTFUNENOLHM-UHFFFAOYSA-N -1 0 234.255 2.566 50 0 BFAARM CC(C)C1CCC([C@@H](F)C(=O)[O-])CC1 ZINC000088157697 538571291 /nfs/dbraw/zinc/57/12/91/538571291.db2.gz XRFFYTGXEUYZER-UDNWOFFPSA-N -1 0 202.269 2.872 50 0 BFAARM C[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000040740281 357332811 /nfs/dbraw/zinc/33/28/11/357332811.db2.gz JUQMRSYCLKEWAV-LURJTMIESA-N -1 0 218.174 2.894 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000306718747 541422973 /nfs/dbraw/zinc/42/29/73/541422973.db2.gz 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OLSIHOGLCUOORD-UHFFFAOYSA-N -1 0 210.213 2.532 50 0 BFAARM CC[C@@H](Nc1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000095630777 170915085 /nfs/dbraw/zinc/91/50/85/170915085.db2.gz FIYGVKPGJGNTCV-SECBINFHSA-N -1 0 231.654 2.754 50 0 BFAARM COc1ccc(-c2cc(C(=O)[O-])c(C)n2C)cc1 ZINC000000387933 175030918 /nfs/dbraw/zinc/03/09/18/175030918.db2.gz RQXSMQCDNKIVQJ-UHFFFAOYSA-N -1 0 245.278 2.707 50 0 BFAARM COc1ccc(-c2ccc(CCC(=O)[O-])o2)cc1 ZINC000000304112 175033376 /nfs/dbraw/zinc/03/33/76/175033376.db2.gz ZKWNOAWLDSIWEE-UHFFFAOYSA-N -1 0 246.262 2.972 50 0 biogenic BFAARM COc1ccc(-c2ccccc2CC(=O)[O-])cc1 ZINC000001259315 175035046 /nfs/dbraw/zinc/03/50/46/175035046.db2.gz QYTGRAKPKIWJGN-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM COc1ccc(C(C)(C)CCC(=O)[O-])cc1 ZINC000000391558 175068009 /nfs/dbraw/zinc/06/80/09/175068009.db2.gz BWLDPDCVWVDILN-UHFFFAOYSA-N -1 0 222.284 2.838 50 0 BFAARM COc1ccc2[nH]cc(CCCC(=O)[O-])c2c1 ZINC000002512932 175203210 /nfs/dbraw/zinc/20/32/10/175203210.db2.gz CIYTWRCWBDXUQU-UHFFFAOYSA-N -1 0 233.267 2.584 50 0 BFAARM COc1ccc2c(C)cc3n[n-]c(=S)n3c2c1 ZINC000003887074 175203809 /nfs/dbraw/zinc/20/38/09/175203809.db2.gz PSFXBSNENTWMFO-UHFFFAOYSA-N -1 0 245.307 2.862 50 0 BFAARM COc1ccc2scc(C(=O)[O-])c2c1 ZINC000091294566 175232079 /nfs/dbraw/zinc/23/20/79/175232079.db2.gz JMQUXSAXYAFAHM-UHFFFAOYSA-N -1 0 208.238 2.608 50 0 BFAARM COc1cccc2cc(/C=C/C(=O)[O-])oc21 ZINC000009256939 175306567 /nfs/dbraw/zinc/30/65/67/175306567.db2.gz CUNXGNXQIAHKMK-AATRIKPKSA-N -1 0 218.208 2.539 50 0 BFAARM COc1ccccc1-c1cccc(CC(=O)[O-])c1 ZINC000002581003 175310171 /nfs/dbraw/zinc/31/01/71/175310171.db2.gz AGFBLMOECRWVDT-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM C[C@@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000001846128 175626545 /nfs/dbraw/zinc/62/65/45/175626545.db2.gz YMBXTVYHTMGZDW-ZWNOBZJWSA-N -1 0 246.306 2.786 50 0 world BFAARM C[C@@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000000967843 176004893 /nfs/dbraw/zinc/00/48/93/176004893.db2.gz HMIVVAPMRQMNAK-SECBINFHSA-N -1 0 216.236 2.692 50 0 in-vitro BFAARM C[C@@H](Oc1cccc(-c2ccncc2)c1)C(=O)[O-] ZINC000032603433 176005054 /nfs/dbraw/zinc/00/50/54/176005054.db2.gz NDJJRPLMMZMIJR-SNVBAGLBSA-N -1 0 243.262 2.601 50 0 BFAARM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000021953547 176005843 /nfs/dbraw/zinc/00/58/43/176005843.db2.gz YIZVVMCXQYBBIE-ZCFIWIBFSA-N -1 0 234.173 2.557 50 0 BFAARM C[C@H](Oc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000006007556 177021863 /nfs/dbraw/zinc/02/18/63/177021863.db2.gz JTSKVVDMNKQPAO-YFKPBYRVSA-N -1 0 235.066 2.845 50 0 in-vitro BFAARM C[C@H](Sc1nc2ccccc2s1)C(=O)[O-] ZINC000000209940 177029759 /nfs/dbraw/zinc/02/97/59/177029759.db2.gz ZRMKAMAPVMHSFW-LURJTMIESA-N -1 0 239.321 2.862 50 0 BFAARM C[C@](Cc1nc2ccccc2[nH]1)(C(=O)[O-])C1CC1 ZINC000020285215 177442714 /nfs/dbraw/zinc/44/27/14/177442714.db2.gz ZNQVCTBFPDXIKI-CQSZACIVSA-N -1 0 244.294 2.606 50 0 BFAARM O=C([O-])C1=C[C@@H](Cc2ccccc2)CC1 ZINC000043214803 262790148 /nfs/dbraw/zinc/79/01/48/262790148.db2.gz JPESXFHTYQWFFC-LLVKDONJSA-N -1 0 202.253 2.650 50 0 BFAARM CC(=O)C=C([O-])c1ccc(Cl)s1 ZINC000101869733 582458335 /nfs/dbraw/zinc/45/83/35/582458335.db2.gz GRWIUBTUWASPBK-UHFFFAOYSA-N -1 0 202.662 2.563 50 0 BFAARM CC(C(=O)C(C)C)=C([O-])c1cccs1 ZINC000112750688 538117233 /nfs/dbraw/zinc/11/72/33/538117233.db2.gz DRMWZEWTKIYQGK-MRVPVSSYSA-N -1 0 210.298 2.792 50 0 BFAARM Cc1onc(-c2ccc(F)c(F)c2)c1C(=O)[O-] ZINC000070426675 582594547 /nfs/dbraw/zinc/59/45/47/582594547.db2.gz VSMGGTUFKRPYRY-UHFFFAOYSA-N -1 0 239.177 2.626 50 0 BFAARM CCCC(=O)C=C([O-])c1ccccc1C ZINC000042413612 582703336 /nfs/dbraw/zinc/70/33/36/582703336.db2.gz PXHSIMBBCSENCC-UHFFFAOYSA-N -1 0 204.269 2.937 50 0 BFAARM O=C1CCCCCC1=C([O-])c1ccco1 ZINC000043651206 582805810 /nfs/dbraw/zinc/80/58/10/582805810.db2.gz GYOPMQGIYDWGCI-SECBINFHSA-N -1 0 206.241 2.612 50 0 BFAARM Cc1ccnc(Oc2ccc(CC(=O)[O-])cc2)c1 ZINC000043561877 638585409 /nfs/dbraw/zinc/58/54/09/638585409.db2.gz BZVCSKJCOAVBFE-UHFFFAOYSA-N -1 0 243.262 2.809 50 0 BFAARM O=C([O-])C(F)(F)c1ccc(Cl)cc1F ZINC000087264393 640865988 /nfs/dbraw/zinc/86/59/88/640865988.db2.gz JJGIFZFAIJZROE-UHFFFAOYSA-N -1 0 224.565 2.656 50 0 BFAARM Cc1noc(C)c1-c1ccc(F)c(C(=O)[O-])c1 ZINC000032582159 641390456 /nfs/dbraw/zinc/39/04/56/641390456.db2.gz AKWHVPULDUZYNZ-UHFFFAOYSA-N -1 0 235.214 2.796 50 0 BFAARM CC(C)CC(=O)c1ccc([O-])c(F)c1F ZINC000088120941 644510032 /nfs/dbraw/zinc/51/00/32/644510032.db2.gz OQALBGMLCWWBCH-UHFFFAOYSA-N -1 0 214.211 2.899 50 0 BFAARM Cc1cccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000002574415 978595305 /nfs/dbraw/zinc/59/53/05/978595305.db2.gz LCRAIEWQRNEROC-NEPJUHHUSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1cccc(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000002574403 978599130 /nfs/dbraw/zinc/59/91/30/978599130.db2.gz UFNJUVMSAIPJJH-NEPJUHHUSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1cc(CSc2ccccc2C(=O)[O-])on1 ZINC000004218849 178053862 /nfs/dbraw/zinc/05/38/62/178053862.db2.gz VZXNHHOHGFNDHL-UHFFFAOYSA-N -1 0 249.291 2.974 50 0 BFAARM Cc1cc(F)ccc1Nc1ncccc1C(=O)[O-] ZINC000013091112 178091453 /nfs/dbraw/zinc/09/14/53/178091453.db2.gz PMLOMHHJLPQOKO-UHFFFAOYSA-N -1 0 246.241 2.971 50 0 BFAARM Cc1cc(OCCCC(=O)[O-])ccc1Cl ZINC000001680052 178209570 /nfs/dbraw/zinc/20/95/70/178209570.db2.gz PHYYXFKRVUCUBW-UHFFFAOYSA-N -1 0 228.675 2.892 50 0 BFAARM Cc1cc(O[C@@H](C)C(=O)[O-])cc(C)c1Cl ZINC000002789348 178212911 /nfs/dbraw/zinc/21/29/11/178212911.db2.gz OGSDXLUKTYSYNE-QMMMGPOBSA-N -1 0 228.675 2.809 50 0 BFAARM Cc1cc(O[C@@H](C)C(=O)[O-])ccc1Cl ZINC000001019009 178213308 /nfs/dbraw/zinc/21/33/08/178213308.db2.gz DRKJHOSTQZAYFT-ZETCQYMHSA-N -1 0 214.648 2.500 50 0 BFAARM Cc1cc(SCC(=O)[O-])c2ccccc2n1 ZINC000000523363 178218030 /nfs/dbraw/zinc/21/80/30/178218030.db2.gz ZUTAXTDDKYVASE-UHFFFAOYSA-N -1 0 233.292 2.720 50 0 BFAARM Cc1cc2ccccc2n2c(=S)[n-]nc12 ZINC000013999119 178298843 /nfs/dbraw/zinc/29/88/43/178298843.db2.gz QLLRNRNVIDUGEO-UHFFFAOYSA-N -1 0 215.281 2.854 50 0 BFAARM Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000034564963 178325318 /nfs/dbraw/zinc/32/53/18/178325318.db2.gz JTPAMGSEWWMRMO-UHFFFAOYSA-N -1 0 248.303 2.909 50 0 BFAARM Cc1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000100070167 178348923 /nfs/dbraw/zinc/34/89/23/178348923.db2.gz AJDUWHWJLAGRBC-UHFFFAOYSA-N -1 0 242.200 2.905 50 0 BFAARM Cc1ccc(-c2c[nH]c(SCC(=O)[O-])n2)cc1 ZINC000026420256 178328924 /nfs/dbraw/zinc/32/89/24/178328924.db2.gz VUUZGPHYLJUXNN-UHFFFAOYSA-N -1 0 248.307 2.562 50 0 BFAARM O=[S@]([O-])c1ccc2c3c(cccc31)CC2 ZINC000033940497 538952754 /nfs/dbraw/zinc/95/27/54/538952754.db2.gz SJQWTSIXBWTOCB-UHFFFAOYSA-N -1 0 218.277 2.519 50 0 BFAARM O=c1nc[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000000082219 342673341 /nfs/dbraw/zinc/67/33/41/342673341.db2.gz AUDPELUZZOKGLM-UHFFFAOYSA-N -1 0 246.266 2.791 50 0 BFAARM O=C1CCCCC1=C([O-])c1ccccc1 ZINC000000088389 342673860 /nfs/dbraw/zinc/67/38/60/342673860.db2.gz YTVQIZRDLKWECQ-LLVKDONJSA-N -1 0 202.253 2.629 50 0 BFAARM O=C([O-])c1ccc(-c2ccccn2)s1 ZINC000000158557 342678081 /nfs/dbraw/zinc/67/80/81/342678081.db2.gz HQULGJDHOPDURG-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])c1cc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000000161561 342678401 /nfs/dbraw/zinc/67/84/01/342678401.db2.gz DJJJSHFPEISHFN-UHFFFAOYSA-N -1 0 245.156 2.765 50 0 BFAARM Nc1cc(C(=O)[O-])ccc1Nc1ccccc1 ZINC000000259285 342681535 /nfs/dbraw/zinc/68/15/35/342681535.db2.gz SOSRJZNYVRVFOH-UHFFFAOYSA-N -1 0 228.251 2.711 50 0 BFAARM CCOc1ccc2[n-]c(=S)sc2c1 ZINC000000291792 342682434 /nfs/dbraw/zinc/68/24/34/342682434.db2.gz HOASVNMVYBSLSU-UHFFFAOYSA-N -1 0 211.311 2.984 50 0 BFAARM CC[C@H](Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC000000334853 342683823 /nfs/dbraw/zinc/68/38/23/342683823.db2.gz GVMOTDXEGIBMCK-VIFPVBQESA-N -1 0 228.675 2.890 50 0 BFAARM C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000000336450 342683901 /nfs/dbraw/zinc/68/39/01/342683901.db2.gz LZAHVZDWIJLOLZ-ZCFIWIBFSA-N -1 0 233.189 2.590 50 0 BFAARM Cc1ccc2nc3c(c(C(=O)[O-])c2c1)CCC3 ZINC000000338234 342684056 /nfs/dbraw/zinc/68/40/56/342684056.db2.gz HGRJPRALNIGYKS-UHFFFAOYSA-N -1 0 227.263 2.730 50 0 BFAARM O=C([O-])[C@H]1CC=CC[C@H]1Cc1ccccc1 ZINC000000342282 342684137 /nfs/dbraw/zinc/68/41/37/342684137.db2.gz SLIBOSUXKGDWRP-STQMWFEESA-N -1 0 216.280 2.896 50 0 BFAARM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)[O-] ZINC000000372499 342685382 /nfs/dbraw/zinc/68/53/82/342685382.db2.gz PNWGQBBWAMFZBY-NSHDSACASA-N -1 0 208.257 2.545 50 0 BFAARM CC(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC000000389891 342685851 /nfs/dbraw/zinc/68/58/51/342685851.db2.gz IIVNZXCXHJAXHD-UHFFFAOYSA-N -1 0 224.310 2.917 50 0 BFAARM O=C([O-])c1ccccc1Cc1ccccc1 ZINC000000404457 342686780 /nfs/dbraw/zinc/68/67/80/342686780.db2.gz FESDHLLVLYZNFY-UHFFFAOYSA-N -1 0 212.248 2.976 50 0 biogenic,in-vitro BFAARM CC(C)c1nc2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000000781083 342692651 /nfs/dbraw/zinc/69/26/51/342692651.db2.gz RJIDVTBWWMPEGE-VIFPVBQESA-N -1 0 232.283 2.805 50 0 BFAARM CC(C)(C)n1cc(C(=O)c2ccccc2[O-])cn1 ZINC000001393725 342699663 /nfs/dbraw/zinc/69/96/63/342699663.db2.gz LGHGABODPUFRBD-UHFFFAOYSA-N -1 0 244.294 2.575 50 0 BFAARM CC(C)c1ccccc1O[C@H](C)C(=O)[O-] ZINC000001459384 342701588 /nfs/dbraw/zinc/70/15/88/342701588.db2.gz KJOWLMCSCDFVCH-SECBINFHSA-N -1 0 208.257 2.662 50 0 BFAARM O=C([O-])[C@@H]1Oc2ccccc2[C@@H]1c1ccccc1 ZINC000001587597 342704595 /nfs/dbraw/zinc/70/45/95/342704595.db2.gz CSQHMXGTEXRJLR-UONOGXRCSA-N -1 0 240.258 2.664 50 0 BFAARM Cc1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000002378647 342719340 /nfs/dbraw/zinc/71/93/40/342719340.db2.gz YCOBHSWQEIQSDB-UHFFFAOYSA-N -1 0 220.268 2.823 50 0 BFAARM O=C([O-])c1c(Cl)cccc1Br ZINC000001732024 342711642 /nfs/dbraw/zinc/71/16/42/342711642.db2.gz URGXUQODOUMRFP-UHFFFAOYSA-N -1 0 235.464 2.801 50 0 BFAARM CCCc1ccc(OCCCC(=O)[O-])cc1 ZINC000001787357 342712556 /nfs/dbraw/zinc/71/25/56/342712556.db2.gz QWIOTFVIEZSCNR-UHFFFAOYSA-N -1 0 222.284 2.883 50 0 BFAARM C[C@H](C(=O)[O-])c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000001846129 342712832 /nfs/dbraw/zinc/71/28/32/342712832.db2.gz YMBXTVYHTMGZDW-GWCFXTLKSA-N -1 0 246.306 2.786 50 0 world BFAARM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000002387047 342719800 /nfs/dbraw/zinc/71/98/00/342719800.db2.gz GSFUBCGLEXRAJW-ZETCQYMHSA-N -1 0 226.659 2.634 50 0 BFAARM Cc1onc(-c2cccc(C)c2)c1C(=O)[O-] ZINC000004234476 342744894 /nfs/dbraw/zinc/74/48/94/342744894.db2.gz KLTCERZNJJUIMB-UHFFFAOYSA-N -1 0 217.224 2.657 50 0 BFAARM COc1cc(C(=O)[O-])c(OC)c2ccccc12 ZINC000002566840 342724520 /nfs/dbraw/zinc/72/45/20/342724520.db2.gz BGJOEOQFJYFEGG-UHFFFAOYSA-N -1 0 232.235 2.555 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(Br)s1 ZINC000037380510 342724586 /nfs/dbraw/zinc/72/45/86/342724586.db2.gz RZYSPHTVUJNTOY-WHFBIAKZSA-N -1 0 247.113 2.699 50 0 BFAARM CCOc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579973 342725532 /nfs/dbraw/zinc/72/55/32/342725532.db2.gz DEARNFFFXXLTCU-UHFFFAOYSA-N -1 0 236.267 2.523 50 0 BFAARM O=C([O-])c1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000002581017 342725557 /nfs/dbraw/zinc/72/55/57/342725557.db2.gz QZKDXSOKZHLFHE-UHFFFAOYSA-N -1 0 242.230 2.781 50 0 BFAARM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000002581488 342725594 /nfs/dbraw/zinc/72/55/94/342725594.db2.gz CEJKAKCQVUWNNA-SECBINFHSA-N -1 0 214.648 2.582 50 0 in-vitro BFAARM CC(C)(C)OC(=O)Nc1ccsc1C(=O)[O-] ZINC000002583121 342725757 /nfs/dbraw/zinc/72/57/57/342725757.db2.gz QAXIGPOUDYLWDU-UHFFFAOYSA-N -1 0 243.284 2.793 50 0 BFAARM O=C([O-])c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000002582707 342725824 /nfs/dbraw/zinc/72/58/24/342725824.db2.gz CDWGDLKZKCYUFO-UHFFFAOYSA-N -1 0 229.157 2.885 50 0 BFAARM CC(C)(C)c1ccc(OCCC(=O)[O-])cc1 ZINC000002685697 342726570 /nfs/dbraw/zinc/72/65/70/342726570.db2.gz MFWXGILWCBBIOC-UHFFFAOYSA-N -1 0 222.284 2.838 50 0 BFAARM CCc1ccc(-c2nc(CC(=O)[O-])cs2)cc1 ZINC000003440485 342733539 /nfs/dbraw/zinc/73/35/39/342733539.db2.gz LQSQCPPYDPAYKK-UHFFFAOYSA-N -1 0 247.319 3.000 50 0 BFAARM CCOc1ccc(CCC(=O)[O-])cc1OCC ZINC000003619060 342735087 /nfs/dbraw/zinc/73/50/87/342735087.db2.gz RRPZDNYHNUEVSC-UHFFFAOYSA-N -1 0 238.283 2.501 50 0 BFAARM Cc1cc(Cl)cc(Cl)c1OCC(=O)[O-] ZINC000004758200 342751746 /nfs/dbraw/zinc/75/17/46/342751746.db2.gz SEGKFMXJNIEDQN-UHFFFAOYSA-N -1 0 235.066 2.765 50 0 BFAARM COc1cc(C)c(CCCC(=O)[O-])cc1C ZINC000004943449 342754755 /nfs/dbraw/zinc/75/47/55/342754755.db2.gz XOBZQMGCZYSQEJ-UHFFFAOYSA-N -1 0 222.284 2.719 50 0 BFAARM CCC[C@H](Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000005952175 342771957 /nfs/dbraw/zinc/77/19/57/342771957.db2.gz CBGZZDWFWLXZEU-JTQLQIEISA-N -1 0 228.675 2.972 50 0 BFAARM Cc1ccc(Oc2ccc(C(=O)[O-])cc2)nc1 ZINC000042415468 342775317 /nfs/dbraw/zinc/77/53/17/342775317.db2.gz UGLLTAOCFRWVDZ-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM CC(C)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000008700397 342802496 /nfs/dbraw/zinc/80/24/96/342802496.db2.gz GNHJJSFGHMQPEQ-UHFFFAOYSA-N -1 0 230.267 2.694 50 0 BFAARM O=C([O-])[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000006658036 342780303 /nfs/dbraw/zinc/78/03/03/342780303.db2.gz QFLIXPBSNSYURJ-SNVBAGLBSA-N -1 0 215.252 2.672 50 0 BFAARM O=C([O-])c1cc(-c2cccc3ccccc32)[nH]n1 ZINC000006740830 342781911 /nfs/dbraw/zinc/78/19/11/342781911.db2.gz SVTCQQLUAZIZIW-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM O=C([O-])c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000006740823 342781950 /nfs/dbraw/zinc/78/19/50/342781950.db2.gz SDDSSZSKEQLSGW-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM O=C([O-])C1(Cc2cccc(F)c2)CCC1 ZINC000083570109 398284560 /nfs/dbraw/zinc/28/45/60/398284560.db2.gz DQVFFAUQMVIMGZ-UHFFFAOYSA-N -1 0 208.232 2.623 50 0 BFAARM CC(C)(C)Cc1ccccc1CC(=O)[O-] ZINC000007023285 342787411 /nfs/dbraw/zinc/78/74/11/342787411.db2.gz QEBXRDQVVQJEME-UHFFFAOYSA-N -1 0 206.285 2.902 50 0 BFAARM Cn1cc(C(=O)[O-])c(-c2cc3ccccc3o2)n1 ZINC000037311573 361902903 /nfs/dbraw/zinc/90/29/03/361902903.db2.gz UCFVLIQKNBWLRF-UHFFFAOYSA-N -1 0 242.234 2.532 50 0 BFAARM Cc1ccc(C)c2c(CC(=O)[O-])coc21 ZINC000008028742 342795839 /nfs/dbraw/zinc/79/58/39/342795839.db2.gz ATXKAYOJJDUFOQ-UHFFFAOYSA-N -1 0 204.225 2.677 50 0 BFAARM O=C([O-])c1ccc(-c2cccnc2)s1 ZINC000008419480 342798932 /nfs/dbraw/zinc/79/89/32/342798932.db2.gz HENDYXUZFUWIMG-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000002574416 178445786 /nfs/dbraw/zinc/44/57/86/178445786.db2.gz VWUABZLEGQFYQH-NEPJUHHUSA-N -1 0 232.279 2.679 50 0 BFAARM O=C([O-])c1occc1COc1ccccc1 ZINC000009256627 342811580 /nfs/dbraw/zinc/81/15/80/342811580.db2.gz UQQKIERSVLJVCW-UHFFFAOYSA-N -1 0 218.208 2.557 50 0 BFAARM Cn1c(C(=O)[O-])ccc1-c1ccc(F)cc1 ZINC000011730397 342842676 /nfs/dbraw/zinc/84/26/76/342842676.db2.gz KGAUEEYVIWDUGX-UHFFFAOYSA-N -1 0 219.215 2.529 50 0 BFAARM CC(C)c1ccccc1OCCC(=O)[O-] ZINC000011957614 342845043 /nfs/dbraw/zinc/84/50/43/342845043.db2.gz FHVPBNGWHCBGKE-UHFFFAOYSA-N -1 0 208.257 2.664 50 0 BFAARM O=C([O-])c1csc(-c2cccc(F)c2)n1 ZINC000012336800 342849190 /nfs/dbraw/zinc/84/91/90/342849190.db2.gz NDPPYHUQIRQQLD-UHFFFAOYSA-N -1 0 223.228 2.647 50 0 BFAARM O=C([O-])c1cccnc1NCc1ccc(F)cc1 ZINC000013090632 342863359 /nfs/dbraw/zinc/86/33/59/342863359.db2.gz QDHRLKYXEBWCSE-UHFFFAOYSA-N -1 0 246.241 2.531 50 0 BFAARM CN(CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000014001736 342875633 /nfs/dbraw/zinc/87/56/33/342875633.db2.gz DOAHZPMETIUDRF-UHFFFAOYSA-N -1 0 247.216 2.616 50 0 BFAARM Fc1ccc(Br)c([S-])c1 ZINC000015442769 342896275 /nfs/dbraw/zinc/89/62/75/342896275.db2.gz JBEGEMGVTNGUOV-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM Fc1ccc([S-])c(Br)c1 ZINC000015442767 342896339 /nfs/dbraw/zinc/89/63/39/342896339.db2.gz GVFIOEXUIFLGOW-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM O=C([O-])c1nc2cc(Cl)ccc2s1 ZINC000015442573 342896369 /nfs/dbraw/zinc/89/63/69/342896369.db2.gz TZCPBIKLIIUHTD-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM O=C([O-])c1nc2ccccc2cc1C(F)(F)F ZINC000016159913 342907643 /nfs/dbraw/zinc/90/76/43/342907643.db2.gz CVSCZIGOYYGAGL-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM CCCCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000019837993 342959613 /nfs/dbraw/zinc/95/96/13/342959613.db2.gz QMSCLRDCIGKIOA-UHFFFAOYSA-N -1 0 241.718 2.966 50 0 BFAARM O=C([O-])c1cnc(Cc2ccccc2F)s1 ZINC000019948432 342964309 /nfs/dbraw/zinc/96/43/09/342964309.db2.gz DKFZXXPYPJEKOG-UHFFFAOYSA-N -1 0 237.255 2.571 50 0 BFAARM O=C([O-])c1ccnc(-c2cccs2)c1 ZINC000020357749 342983657 /nfs/dbraw/zinc/98/36/57/342983657.db2.gz FTGBWVKLXLHQPK-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM CCCc1c(C(=O)[O-])cnn1Cc1ccccc1 ZINC000021027515 343002589 /nfs/dbraw/zinc/00/25/89/343002589.db2.gz WEBMWSSPANUKIO-UHFFFAOYSA-N -1 0 244.294 2.582 50 0 BFAARM CC(C)(C)Cc1noc2ncc(C(=O)[O-])cc12 ZINC000022220427 343045010 /nfs/dbraw/zinc/04/50/10/343045010.db2.gz QSMKZAPDOQEMHK-UHFFFAOYSA-N -1 0 234.255 2.510 50 0 BFAARM Cc1cccc(C(=O)Nc2ccc(N)cc2O)c1 ZINC000006709554 187248860 /nfs/dbraw/zinc/24/88/60/187248860.db2.gz UURVNJBPFGTBJY-UHFFFAOYSA-N -1 0 242.278 2.535 50 0 BFAARM Cc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000007814931 187248903 /nfs/dbraw/zinc/24/89/03/187248903.db2.gz DRAPBUPJVXGEEG-UHFFFAOYSA-N -1 0 247.319 2.796 50 0 BFAARM O=C([O-])c1ccc(Cl)c2ncccc12 ZINC000001723913 187245420 /nfs/dbraw/zinc/24/54/20/187245420.db2.gz YCJCLDOHESCJRP-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1ccc(F)c(-c2ccc(O)cc2)c1 ZINC000032003015 343227851 /nfs/dbraw/zinc/22/78/51/343227851.db2.gz RIKYUNRNITULQO-UHFFFAOYSA-N -1 0 232.210 2.897 50 0 BFAARM O=C([O-])c1cnc2ccc(Cl)cc2c1 ZINC000032099568 343229533 /nfs/dbraw/zinc/22/95/33/343229533.db2.gz UYQIRJWFRMCAID-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1cnc2cc(Cl)ccc2c1 ZINC000032099208 343229614 /nfs/dbraw/zinc/22/96/14/343229614.db2.gz UFGQWTWQNIGAEB-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1ccc(Br)c(Cl)c1 ZINC000012359380 187250881 /nfs/dbraw/zinc/25/08/81/187250881.db2.gz PSKJIHDVFDVNBU-UHFFFAOYSA-N -1 0 235.464 2.801 50 0 BFAARM Cc1c(C(=O)[O-])[nH]c2c1c(C)ccc2C ZINC000004384264 178505259 /nfs/dbraw/zinc/50/52/59/178505259.db2.gz NTLCTUIGGRCPPO-UHFFFAOYSA-N -1 0 203.241 2.791 50 0 BFAARM O=C([O-])c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000036888304 343326397 /nfs/dbraw/zinc/32/63/97/343326397.db2.gz HLPZSVRSWNQYJQ-UHFFFAOYSA-N -1 0 241.218 2.787 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000036056709 343308029 /nfs/dbraw/zinc/30/80/29/343308029.db2.gz SHCKKENSUDTLMS-HTQZYQBOSA-N -1 0 230.185 2.894 50 0 BFAARM C[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000036377931 343316944 /nfs/dbraw/zinc/31/69/44/343316944.db2.gz QLHMQZFTSIHQIT-LURJTMIESA-N -1 0 229.073 2.637 50 0 BFAARM Nc1ccc(OCc2ccccc2)cc1C(=O)[O-] ZINC000037933323 343361925 /nfs/dbraw/zinc/36/19/25/343361925.db2.gz FHVFMMVAAUIJQE-UHFFFAOYSA-N -1 0 243.262 2.546 50 0 BFAARM Cc1cc(/C=C/C(=O)[O-])cc(OC(F)(F)F)c1 ZINC000038529743 343376049 /nfs/dbraw/zinc/37/60/49/343376049.db2.gz DJPZRCOZMDWHRL-NSCUHMNNSA-N -1 0 246.184 2.991 50 0 BFAARM S=c1[n-]c2cc(Br)ccc2o1 ZINC000039123356 343385829 /nfs/dbraw/zinc/38/58/29/343385829.db2.gz YFFBNUPHVZYFQL-UHFFFAOYSA-N -1 0 230.086 2.879 50 0 BFAARM CC(C)(C)c1ccc2c(c1)[C@H](C(=O)[O-])CN2 ZINC000071486606 187260411 /nfs/dbraw/zinc/26/04/11/187260411.db2.gz NONJDKPWPSQQQA-SNVBAGLBSA-N -1 0 219.284 2.578 50 0 BFAARM Cc1cccc(-c2cccc(C(=O)[O-])n2)c1 ZINC000039927818 343393254 /nfs/dbraw/zinc/39/32/54/343393254.db2.gz DYGBYJRFXDQSGW-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM O=C([O-])c1cccc(Nc2ccnc(Cl)n2)c1 ZINC000040447873 343403364 /nfs/dbraw/zinc/40/33/64/343403364.db2.gz TYVCISRSEZSKEF-UHFFFAOYSA-N -1 0 249.657 2.572 50 0 BFAARM CC1(C)CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000040740211 343408958 /nfs/dbraw/zinc/40/89/58/343408958.db2.gz WZXRUGMJTCDPDH-SNVBAGLBSA-N -1 0 204.269 2.926 50 0 BFAARM O=C([O-])c1ccnc(-c2ccccc2F)c1 ZINC000041229461 343417224 /nfs/dbraw/zinc/41/72/24/343417224.db2.gz RTGZEQWNCPNAGG-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM Cc1occc1C([O-])=C1CCCCC1=O ZINC000043651239 343479392 /nfs/dbraw/zinc/47/93/92/343479392.db2.gz CECICIAFJSPKNW-SNVBAGLBSA-N -1 0 206.241 2.530 50 0 BFAARM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)c1ccc(F)cc1 ZINC000043879031 343486426 /nfs/dbraw/zinc/48/64/26/343486426.db2.gz NHQQJKKAHSUBRB-WDEREUQCSA-N -1 0 236.242 2.509 50 0 BFAARM O=C([O-])[C@]12CC=CC[C@@H]1CCc1ccccc12 ZINC000044126405 343492475 /nfs/dbraw/zinc/49/24/75/343492475.db2.gz VPIKHFWERATWBS-IUODEOHRSA-N -1 0 228.291 2.921 50 0 BFAARM CN(C)c1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000043214148 343465854 /nfs/dbraw/zinc/46/58/54/343465854.db2.gz DCFLZXMHKNEBDL-UHFFFAOYSA-N -1 0 249.310 2.580 50 0 BFAARM Cc1cc(Br)sc1C(=O)[O-] ZINC000044563519 343507482 /nfs/dbraw/zinc/50/74/82/343507482.db2.gz JFFWMBSFXUTFLN-UHFFFAOYSA-N -1 0 221.075 2.517 50 0 BFAARM CC(C)Cn1ncc(C(=O)[O-])c1-c1ccccc1 ZINC000042188426 187265347 /nfs/dbraw/zinc/26/53/47/187265347.db2.gz IPVWBFZNUFPKEI-UHFFFAOYSA-N -1 0 244.294 2.904 50 0 BFAARM O=C([O-])C1(c2ccc(Cl)nc2)CCCC1 ZINC000083323067 343579211 /nfs/dbraw/zinc/57/92/11/343579211.db2.gz BLNYEXHNKMDGIM-UHFFFAOYSA-N -1 0 225.675 2.631 50 0 BFAARM Cc1ccc(C(=O)CC(C)(C)C(=O)[O-])c(C)c1 ZINC000043214294 187267382 /nfs/dbraw/zinc/26/73/82/187267382.db2.gz UHACVLYTWQGFTE-UHFFFAOYSA-N -1 0 234.295 2.987 50 0 BFAARM Cc1occc1C([O-])=C1CCCCC1=O ZINC000043651241 343696123 /nfs/dbraw/zinc/69/61/23/343696123.db2.gz CECICIAFJSPKNW-JTQLQIEISA-N -1 0 206.241 2.530 50 0 BFAARM CC(C)(C)n1[nH]c(=O)c2ccc(Cl)cc21 ZINC000067341854 187273645 /nfs/dbraw/zinc/27/36/45/187273645.db2.gz DRKYYPXQFJHCGT-UHFFFAOYSA-N -1 0 224.691 2.738 50 0 BFAARM CC(C)n1cc(Br)cc1C(=O)[O-] ZINC000068583435 187274520 /nfs/dbraw/zinc/27/45/20/187274520.db2.gz CULTUKQABHCDGT-UHFFFAOYSA-N -1 0 232.077 2.530 50 0 BFAARM CC(C)C[C@H](COCc1ccccc1)C(=O)[O-] ZINC000230082482 343917206 /nfs/dbraw/zinc/91/72/06/343917206.db2.gz QLSBJDHEYAHBKC-CYBMUJFWSA-N -1 0 236.311 2.950 50 0 BFAARM CC(C)COC(=O)N=c1[n-]nc(C(C)C)s1 ZINC000000322743 344698505 /nfs/dbraw/zinc/69/85/05/344698505.db2.gz KZMIVCCKBLIVLJ-UHFFFAOYSA-N -1 0 243.332 2.866 50 0 BFAARM Cc1ccc2[nH]c(=O)c(CCC(=O)[O-])c(C)c2c1 ZINC000008733249 178978459 /nfs/dbraw/zinc/97/84/59/178978459.db2.gz IAMHBULUYWCXRP-UHFFFAOYSA-N -1 0 245.278 2.574 50 0 biogenic BFAARM Cc1ccc2nc(C)cc(C(=O)[O-])c2c1 ZINC000000286140 178972793 /nfs/dbraw/zinc/97/27/93/178972793.db2.gz PPFCNYVQJDEENH-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM COC(=O)C=C([O-])c1ccc2ccccc2c1 ZINC000002380226 346138922 /nfs/dbraw/zinc/13/89/22/346138922.db2.gz GSGIHNDYVVJGHS-UHFFFAOYSA-N -1 0 228.247 2.586 50 0 BFAARM Cc1cccc(-n2cnc(Cl)c2C(=O)[O-])c1 ZINC000069949541 179000973 /nfs/dbraw/zinc/00/09/73/179000973.db2.gz OIDWIRKPNWWKLC-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM O=c1nc(Cc2ccccc2)[n-]c2ccsc21 ZINC000039187655 346194129 /nfs/dbraw/zinc/19/41/29/346194129.db2.gz YFEQBYXQACYKKN-UHFFFAOYSA-N -1 0 242.303 2.575 50 0 BFAARM Cc1ccc(C)c(CC[C@@H](C)C(=O)[O-])c1 ZINC000005379917 346615566 /nfs/dbraw/zinc/61/55/66/346615566.db2.gz IQQRCAWQIUUADX-LLVKDONJSA-N -1 0 206.285 2.957 50 0 BFAARM CCCn1c(C(=O)[O-])cc2cc(F)ccc21 ZINC000107837086 346662168 /nfs/dbraw/zinc/66/21/68/346662168.db2.gz IFGJFIJKPJMHES-UHFFFAOYSA-N -1 0 221.231 2.889 50 0 BFAARM Cc1cccc(Nc2ncc(C(=O)[O-])c(C)n2)c1 ZINC000015423891 179159014 /nfs/dbraw/zinc/15/90/14/179159014.db2.gz MNELOJHAFJOQMO-UHFFFAOYSA-N -1 0 243.266 2.535 50 0 BFAARM O=c1[nH]c(=S)[n-]c2c3c(sc21)CCCC3 ZINC000020100272 347406588 /nfs/dbraw/zinc/40/65/88/347406588.db2.gz WBBNRLLOIKYIMC-UHFFFAOYSA-N -1 0 238.337 2.526 50 0 BFAARM Cc1ccccc1-c1csc2c1[n-]cnc2=O ZINC000021658111 179236490 /nfs/dbraw/zinc/23/64/90/179236490.db2.gz QQGOZUQZEAJJAN-UHFFFAOYSA-N -1 0 242.303 2.960 50 0 BFAARM Cc1ccccc1-c1cccc(C(=O)[O-])n1 ZINC000039927827 179236653 /nfs/dbraw/zinc/23/66/53/179236653.db2.gz XWXIZKKZMJFOMM-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1ccccc1-n1ncc(C(=O)[O-])c1C1CC1 ZINC000012879697 179243087 /nfs/dbraw/zinc/24/30/87/179243087.db2.gz CLTLGJDAUAROIU-UHFFFAOYSA-N -1 0 242.278 2.756 50 0 BFAARM Cc1ccccc1C(=O)C[C@H](C)CC(=O)[O-] ZINC000043214216 179245781 /nfs/dbraw/zinc/24/57/81/179245781.db2.gz CWCXAHALCGEMCW-VIFPVBQESA-N -1 0 220.268 2.679 50 0 BFAARM Cc1nc(SCC(C)C)sc1CC(=O)[O-] ZINC000019812688 180031288 /nfs/dbraw/zinc/03/12/88/180031288.db2.gz OVGGSKIGXIWKRV-UHFFFAOYSA-N -1 0 245.369 2.827 50 0 BFAARM Cc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000071478091 180162452 /nfs/dbraw/zinc/16/24/52/180162452.db2.gz FFBKSFDJJHZWFP-UHFFFAOYSA-N -1 0 233.292 2.741 50 0 BFAARM CCCCC(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000044965660 168625902 /nfs/dbraw/zinc/62/59/02/168625902.db2.gz GEPHITMCRFRPBM-UHFFFAOYSA-N -1 0 239.246 2.653 50 0 BFAARM CCCCCCC(=O)CCCC(=O)[O-] ZINC000004582907 191119317 /nfs/dbraw/zinc/11/93/17/191119317.db2.gz LXPXOCHGDNNXCA-UHFFFAOYSA-N -1 0 200.278 2.781 50 0 BFAARM COc1cncc(-c2ccc(C(=O)[O-])s2)c1 ZINC000034924636 351347052 /nfs/dbraw/zinc/34/70/52/351347052.db2.gz RSNZDWLZTGGWJH-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM Cn1c2ccccc2c(Cl)c1C(=O)[O-] ZINC000019770061 180614210 /nfs/dbraw/zinc/61/42/10/180614210.db2.gz PJHFELNJKKGZHO-UHFFFAOYSA-N -1 0 209.632 2.530 50 0 BFAARM O=C([O-])c1c2cc(F)ccc2nc2c1CCCC2 ZINC000000111101 187923586 /nfs/dbraw/zinc/92/35/86/187923586.db2.gz YIWXZCMEDNUVEH-UHFFFAOYSA-N -1 0 245.253 2.951 50 0 BFAARM CCN(CC)c1ccc(C=O)c([S-])c1 ZINC000079141843 538109849 /nfs/dbraw/zinc/10/98/49/538109849.db2.gz KMSUDCGPMKRZSC-UHFFFAOYSA-N -1 0 209.314 2.634 50 0 BFAARM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[O-] ZINC000004276962 188276220 /nfs/dbraw/zinc/27/62/20/188276220.db2.gz CILPHQCEVYJUDN-GMTAPVOTSA-N -1 0 214.305 2.548 50 0 BFAARM CC(C)(CSc1ccccc1)C(=O)[O-] ZINC000011864498 188339921 /nfs/dbraw/zinc/33/99/21/188339921.db2.gz WZNNKIDVSDAOEL-UHFFFAOYSA-N -1 0 210.298 2.890 50 0 BFAARM Nc1ccc(NC(=O)Nc2ccccc2)c(O)c1 ZINC000000395093 363293472 /nfs/dbraw/zinc/29/34/72/363293472.db2.gz CPWUEGSLUBOUGX-UHFFFAOYSA-N -1 0 243.266 2.618 50 0 BFAARM CO[C@@H](C(=O)[O-])c1cc2ccccc2s1 ZINC000005915218 355684308 /nfs/dbraw/zinc/68/43/08/355684308.db2.gz WWYVPFAQWGLBTR-SNVBAGLBSA-N -1 0 222.265 2.673 50 0 BFAARM O=C([O-])/C(Br)=C/c1ccccc1 ZINC000001689856 355911123 /nfs/dbraw/zinc/91/11/23/355911123.db2.gz HBMGEXMZDMAEDN-VURMDHGXSA-N -1 0 227.057 2.507 50 0 BFAARM Cc1ccc(C(=O)CCCC(=O)[O-])c(C)c1 ZINC000020369187 363524955 /nfs/dbraw/zinc/52/49/55/363524955.db2.gz RXTLJRDSXVMJJS-UHFFFAOYSA-N -1 0 220.268 2.741 50 0 BFAARM O=[S@]([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000675061756 538487758 /nfs/dbraw/zinc/48/77/58/538487758.db2.gz OMHZGWAEGPJDQK-UHFFFAOYSA-N -1 0 244.621 2.939 50 0 BFAARM O=[S@@]([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000125975029 538526656 /nfs/dbraw/zinc/52/66/56/538526656.db2.gz ULKZTLHQGJKHLX-UHFFFAOYSA-N -1 0 244.621 2.939 50 0 BFAARM COc1c2occc2c([O-])c2c(=O)cc(C)oc12 ZINC000000519020 358094373 /nfs/dbraw/zinc/09/43/73/358094373.db2.gz GEYVZPGXYUDRSN-UHFFFAOYSA-N -1 0 246.218 2.562 50 0 BFAARM COc1ccc(Cc2ccc(C(=O)[O-])o2)cc1 ZINC000040449068 358648997 /nfs/dbraw/zinc/64/89/97/358648997.db2.gz LDFSQMQEBLBBFB-UHFFFAOYSA-N -1 0 232.235 2.577 50 0 BFAARM O=C([O-])Cc1ccc(Cl)c2cccnc12 ZINC000161026891 359788934 /nfs/dbraw/zinc/78/89/34/359788934.db2.gz POIRXGXUELQJCU-UHFFFAOYSA-N -1 0 221.643 2.515 50 0 BFAARM CCCCOP(=O)([O-])OCCCC ZINC000001577196 541311864 /nfs/dbraw/zinc/31/18/64/541311864.db2.gz JYFHYPJRHGVZDY-UHFFFAOYSA-N -1 0 210.210 2.720 50 0 BFAARM O=[S@@]([O-])Cc1c(Cl)cccc1Cl ZINC000125989586 541411948 /nfs/dbraw/zinc/41/19/48/541411948.db2.gz FCCOWZZRYXTWRB-UHFFFAOYSA-N -1 0 225.096 2.715 50 0 BFAARM O=C1C[C@@H](c2ccccc2)c2ccc(O)cc2O1 ZINC000002952832 367801427 /nfs/dbraw/zinc/80/14/27/367801427.db2.gz FPHAXRIFTRBSSY-ZDUSSCGKSA-N -1 0 240.258 2.833 50 0 BFAARM CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000039365921 368376103 /nfs/dbraw/zinc/37/61/03/368376103.db2.gz PYSRGMCGNCBXSF-UHFFFAOYSA-N -1 0 248.200 2.947 50 0 BFAARM Nc1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000002522307 181751735 /nfs/dbraw/zinc/75/17/35/181751735.db2.gz KAOICWOHZSZVKE-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM CC(C)[C@]1(CC(=O)[O-])CCOC(C)(C)C1 ZINC000004082487 372132115 /nfs/dbraw/zinc/13/21/15/372132115.db2.gz HHXDMHKUPHNFMF-LBPRGKRZSA-N -1 0 214.305 2.693 50 0 biogenic BFAARM CC[C@](C)(COCc1ccccc1)C(=O)[O-] ZINC000141328698 372924433 /nfs/dbraw/zinc/92/44/33/372924433.db2.gz QIZZVTODBDLUHE-CYBMUJFWSA-N -1 0 222.284 2.704 50 0 BFAARM O=C(Nc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000019837585 182383930 /nfs/dbraw/zinc/38/39/30/182383930.db2.gz PHRCJJDVUZDVCX-UHFFFAOYSA-N -1 0 248.669 2.693 50 0 BFAARM O=C(Nc1ccncc1)c1cc(Cl)ccc1[O-] ZINC000009512492 182386375 /nfs/dbraw/zinc/38/63/75/182386375.db2.gz GOFGQNJZBLJUBR-UHFFFAOYSA-N -1 0 248.669 2.693 50 0 BFAARM O=C([O-])/C=C/c1cccc(C(F)(F)F)c1F ZINC000002560185 182412859 /nfs/dbraw/zinc/41/28/59/182412859.db2.gz COMXMQQELIPMID-SNAWJCMRSA-N -1 0 234.148 2.942 50 0 BFAARM O=C([O-])/C=C\c1ccc(F)cc1Br ZINC000033373879 182415543 /nfs/dbraw/zinc/41/55/43/182415543.db2.gz KCEJGSKYYLDTNE-RQOWECAXSA-N -1 0 245.047 2.686 50 0 BFAARM O=C([O-])/C=C/c1ccc(OC(F)(F)F)cc1 ZINC000000153704 182411766 /nfs/dbraw/zinc/41/17/66/182411766.db2.gz RNYVTJANWYBGPW-ZZXKWVIFSA-N -1 0 232.157 2.683 50 0 BFAARM O=C([O-])C1(c2ccccc2)CCCCC1 ZINC000000404949 182425897 /nfs/dbraw/zinc/42/58/97/182425897.db2.gz QXXHHHWXFHPNOS-UHFFFAOYSA-N -1 0 204.269 2.973 50 0 BFAARM O=C([O-])CCc1cccc(F)c1Br ZINC000084567017 182454435 /nfs/dbraw/zinc/45/44/35/182454435.db2.gz FFQDRRNENZOKLU-UHFFFAOYSA-N -1 0 247.063 2.605 50 0 BFAARM O=C([O-])COCCC12CC3CC(CC(C3)C1)C2 ZINC000012343418 182468843 /nfs/dbraw/zinc/46/88/43/182468843.db2.gz QDOOMRKQZJGOIJ-UHFFFAOYSA-N -1 0 238.327 2.694 50 0 BFAARM O=C([O-])C[C@H](c1cccs1)n1cccc1 ZINC000032917882 182483392 /nfs/dbraw/zinc/48/33/92/182483392.db2.gz FTRSAOIXKNWQMK-SECBINFHSA-N -1 0 221.281 2.614 50 0 BFAARM O=C([O-])CSCc1coc(-c2ccccc2)n1 ZINC000021953075 182472737 /nfs/dbraw/zinc/47/27/37/182472737.db2.gz FBQCDKHUMNCMBT-UHFFFAOYSA-N -1 0 249.291 2.659 50 0 BFAARM O=C([O-])Cc1cccc(Cl)c1Br ZINC000084576642 182492165 /nfs/dbraw/zinc/49/21/65/182492165.db2.gz BWWZVTBUNNJBBT-UHFFFAOYSA-N -1 0 249.491 2.730 50 0 BFAARM O=C([O-])Cc1coc2cc(Cl)ccc12 ZINC000010536956 182493369 /nfs/dbraw/zinc/49/33/69/182493369.db2.gz RMJOWIRZNLSJGG-UHFFFAOYSA-N -1 0 210.616 2.713 50 0 BFAARM O=C([O-])c1ccc(Cc2ccccc2)cc1 ZINC000001697492 182566837 /nfs/dbraw/zinc/56/68/37/182566837.db2.gz FPHVRPCVNPHPBH-UHFFFAOYSA-N -1 0 212.248 2.976 50 0 BFAARM O=C([O-])c1ccc(F)cc1-c1ccncc1 ZINC000040231644 182568059 /nfs/dbraw/zinc/56/80/59/182568059.db2.gz QNJPKGQDUDGCRA-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])c1cc2cccc(C(F)(F)F)c2[nH]1 ZINC000003748649 182560605 /nfs/dbraw/zinc/56/06/05/182560605.db2.gz PISPPXUYIZNQMU-UHFFFAOYSA-N -1 0 229.157 2.885 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(F)cc2F)nc1 ZINC000039927701 182561745 /nfs/dbraw/zinc/56/17/45/182561745.db2.gz PFOATVDDIXDITI-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM O=C([O-])c1cccnc1SC1CCCC1 ZINC000022209394 182585130 /nfs/dbraw/zinc/58/51/30/182585130.db2.gz BGJPFAXRLQDXEI-UHFFFAOYSA-N -1 0 223.297 2.815 50 0 BFAARM O=C([O-])c1cnc(-c2cccc(Cl)c2)o1 ZINC000057516274 182588123 /nfs/dbraw/zinc/58/81/23/182588123.db2.gz SOBIGFWYRDTPRJ-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])c1c[nH]nc1-c1ccc(F)c(Cl)c1 ZINC000020439802 182588141 /nfs/dbraw/zinc/58/81/41/182588141.db2.gz LRWMSVCCLRUPDR-UHFFFAOYSA-N -1 0 240.621 2.567 50 0 BFAARM O=C([O-])c1sccc1SC(F)F ZINC000058037910 182599432 /nfs/dbraw/zinc/59/94/32/182599432.db2.gz ONSJSDSGEMOCPN-UHFFFAOYSA-N -1 0 210.226 2.761 50 0 BFAARM O=C([O-])c1ccccc1OC(=O)c1ccccc1 ZINC000002028033 182609906 /nfs/dbraw/zinc/60/99/06/182609906.db2.gz QSOVSKMNRYAVJR-UHFFFAOYSA-N -1 0 242.230 2.604 50 0 BFAARM O=S(=O)([O-])c1ccc2cc(Cl)ccc2c1 ZINC000002518323 182903892 /nfs/dbraw/zinc/90/38/92/182903892.db2.gz ONLHWRHIJDODKO-UHFFFAOYSA-N -1 0 242.683 2.740 50 0 BFAARM CCCCc1c([O-])c2cc(OC)ccc2[nH]c1=O ZINC000002499440 169018023 /nfs/dbraw/zinc/01/80/23/169018023.db2.gz ZKCMBGVQTRZPOP-UHFFFAOYSA-N -1 0 247.294 2.585 50 0 BFAARM CCCCc1c([O-])c2ccccc2oc1=O ZINC000003957574 169018233 /nfs/dbraw/zinc/01/82/33/169018233.db2.gz FLWPSVWWYHCQSL-UHFFFAOYSA-N -1 0 218.252 2.841 50 0 BFAARM CCCCc1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000008913877 169021593 /nfs/dbraw/zinc/02/15/93/169021593.db2.gz LJKZGDGZVPTQHD-UHFFFAOYSA-N -1 0 244.298 2.663 50 0 BFAARM CCCCc1nc2cc(C(=O)[O-])ccc2o1 ZINC000003883325 169027261 /nfs/dbraw/zinc/02/72/61/169027261.db2.gz DMLAEJJVBPVLOK-UHFFFAOYSA-N -1 0 219.240 2.869 50 0 BFAARM [O-]c1cc(Br)cc(Cl)c1F ZINC000074934299 183256391 /nfs/dbraw/zinc/25/63/91/183256391.db2.gz GXMIWRKHBJSAJB-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM CCCc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000016478272 169571914 /nfs/dbraw/zinc/57/19/14/169571914.db2.gz ZEEKAMSOEINPKO-UHFFFAOYSA-N -1 0 249.310 2.833 50 0 BFAARM CCCn1c(C(=O)[O-])cc2ccccc21 ZINC000009372400 169611286 /nfs/dbraw/zinc/61/12/86/169611286.db2.gz NEVFETBXTISVKK-UHFFFAOYSA-N -1 0 203.241 2.750 50 0 BFAARM O=C([O-])C1(c2cccc(F)c2)CCCC1 ZINC000000155784 383836688 /nfs/dbraw/zinc/83/66/88/383836688.db2.gz RLAKVCCLVVITLS-UHFFFAOYSA-N -1 0 208.232 2.722 50 0 BFAARM O=C([O-])C[C@@H]1CCC[C@@H](c2ccccc2)C1=O ZINC000000276950 383851809 /nfs/dbraw/zinc/85/18/09/383851809.db2.gz WTBDYAFOVHATCN-RYUDHWBXSA-N -1 0 232.279 2.614 50 0 biogenic BFAARM C[C@H](NC(=O)c1ccccc1C(=O)[O-])C(C)(C)C ZINC000000391517 383861197 /nfs/dbraw/zinc/86/11/97/383861197.db2.gz QUZGNIZLRAGRHB-VIFPVBQESA-N -1 0 249.310 2.549 50 0 BFAARM O=C([O-])/C=C/c1cccc(Cl)c1F ZINC000002575002 383977941 /nfs/dbraw/zinc/97/79/41/383977941.db2.gz OJNDJHBNODEMSG-SNAWJCMRSA-N -1 0 200.596 2.577 50 0 BFAARM O=C([O-])CCCCOc1ccc(Cl)cc1 ZINC000003138378 384000176 /nfs/dbraw/zinc/00/01/76/384000176.db2.gz DCZDRIPLJUPMKH-UHFFFAOYSA-N -1 0 228.675 2.974 50 0 BFAARM Fc1cccc(Br)c1[S-] ZINC000067796549 383947496 /nfs/dbraw/zinc/94/74/96/383947496.db2.gz QVIXOBKDCYASRR-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM O=C([O-])Cc1coc2cc3c(cc12)CCC3 ZINC000003278525 384001294 /nfs/dbraw/zinc/00/12/94/384001294.db2.gz FFQRKQKXMFFTME-UHFFFAOYSA-N -1 0 216.236 2.549 50 0 BFAARM O=C([O-])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002528394 383971356 /nfs/dbraw/zinc/97/13/56/383971356.db2.gz AZBFOENSKLAYKT-UHFFFAOYSA-N -1 0 238.592 2.986 50 0 BFAARM O=C([O-])Cc1c(F)ccc(Cl)c1Cl ZINC000002527798 383972011 /nfs/dbraw/zinc/97/20/11/383972011.db2.gz SQADAIPGCGGTQM-UHFFFAOYSA-N -1 0 223.030 2.760 50 0 BFAARM CCc1cccc2c(CC(=O)[O-])c(C)[nH]c21 ZINC000003748622 384026791 /nfs/dbraw/zinc/02/67/91/384026791.db2.gz QHQSZOISNDIQJT-UHFFFAOYSA-N -1 0 217.268 2.666 50 0 BFAARM Cc1ccc(C(C)(C)C)cc1CC(=O)[O-] ZINC000003750717 384027078 /nfs/dbraw/zinc/02/70/78/384027078.db2.gz PGUUWYUZTJPKDX-UHFFFAOYSA-N -1 0 206.285 2.920 50 0 BFAARM O=C([O-])Cc1ccc2c(c1)[nH]c1ccccc12 ZINC000003359337 384006248 /nfs/dbraw/zinc/00/62/48/384006248.db2.gz XEDSZIKWEGZUTC-UHFFFAOYSA-N -1 0 225.247 2.948 50 0 BFAARM O=C([O-])CSc1ccc(Br)cc1 ZINC000003886534 384031850 /nfs/dbraw/zinc/03/18/50/384031850.db2.gz ZREFBQZGAVWLKX-UHFFFAOYSA-N -1 0 247.113 2.626 50 0 BFAARM O=C([O-])c1ccc(Nc2cccnc2)cc1 ZINC000050912929 384089362 /nfs/dbraw/zinc/08/93/62/384089362.db2.gz MUIFAEIHXHXFAH-UHFFFAOYSA-N -1 0 214.224 2.523 50 0 BFAARM Cc1ccc(C(=O)[O-])cc1NCc1cccnc1 ZINC000004413495 384061125 /nfs/dbraw/zinc/06/11/25/384061125.db2.gz JKNLNOBJEHXTCG-UHFFFAOYSA-N -1 0 242.278 2.700 50 0 BFAARM CC(=O)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000038339709 384081317 /nfs/dbraw/zinc/08/13/17/384081317.db2.gz OKUHJKCNINJNLA-UHFFFAOYSA-N -1 0 232.235 2.571 50 0 BFAARM O=C([O-])/C=C/c1csc(Br)c1 ZINC000039261748 384111484 /nfs/dbraw/zinc/11/14/84/384111484.db2.gz ABWWLOPATRVAAV-OWOJBTEDSA-N -1 0 233.086 2.608 50 0 BFAARM Cc1cc(C(=O)[O-])c(F)cc1C(F)(F)F ZINC000091252097 384111614 /nfs/dbraw/zinc/11/16/14/384111614.db2.gz FRUQXARTJIZTHE-UHFFFAOYSA-N -1 0 222.137 2.851 50 0 BFAARM COc1c(CCC(=O)[O-])cccc1C(F)(F)F ZINC000071867273 384184039 /nfs/dbraw/zinc/18/40/39/384184039.db2.gz MVANQFYNQSWMEP-UHFFFAOYSA-N -1 0 248.200 2.731 50 0 BFAARM Cc1nc(-c2cccs2)ccc1C(=O)[O-] ZINC000007779455 384186962 /nfs/dbraw/zinc/18/69/62/384186962.db2.gz KNFFJSOIYVQTCG-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])CCC(=O)c1ccccc1C(F)(F)F ZINC000043214137 384264180 /nfs/dbraw/zinc/26/41/80/384264180.db2.gz XBHFJUYTHQXMEA-UHFFFAOYSA-N -1 0 246.184 2.753 50 0 BFAARM O=C([O-])Cc1cnc(-c2ccc(F)cc2)s1 ZINC000012390464 384315580 /nfs/dbraw/zinc/31/55/80/384315580.db2.gz LPYNKSFOSHIPBF-UHFFFAOYSA-N -1 0 237.255 2.576 50 0 BFAARM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)[O-] ZINC000012437241 384320425 /nfs/dbraw/zinc/32/04/25/384320425.db2.gz CILPHQCEVYJUDN-VWYCJHECSA-N -1 0 214.305 2.548 50 0 BFAARM Cc1ccc(O[C@@H](C)C(=O)[O-])cc1Cl ZINC000016970063 384475584 /nfs/dbraw/zinc/47/55/84/384475584.db2.gz GIKAVIQRFHJYGK-ZETCQYMHSA-N -1 0 214.648 2.500 50 0 BFAARM O=C([O-])/C=C\c1ccc(OC(F)(F)F)cc1 ZINC000006191817 384572589 /nfs/dbraw/zinc/57/25/89/384572589.db2.gz RNYVTJANWYBGPW-UTCJRWHESA-N -1 0 232.157 2.683 50 0 BFAARM O=C([O-])C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000020357936 384613633 /nfs/dbraw/zinc/61/36/33/384613633.db2.gz NHNFWACSJQAMDR-UHFFFAOYSA-N -1 0 230.185 2.822 50 0 BFAARM Cc1cccc(C([O-])=CC(=O)C(F)(F)F)c1 ZINC000100072856 384614641 /nfs/dbraw/zinc/61/46/41/384614641.db2.gz VOFWLZQTWRLBTR-UHFFFAOYSA-N -1 0 230.185 2.699 50 0 BFAARM Cc1cc(-c2cccc(C(=O)[O-])c2)sn1 ZINC000083010654 384738577 /nfs/dbraw/zinc/73/85/77/384738577.db2.gz MBFMJFWECSIPFN-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])Cc1nc2c(cccc2Cl)s1 ZINC000083069245 384742102 /nfs/dbraw/zinc/74/21/02/384742102.db2.gz CTTBVJTVGYNSIB-UHFFFAOYSA-N -1 0 227.672 2.577 50 0 BFAARM O=C([O-])c1coc2ccc(Br)cc12 ZINC000084061210 384830963 /nfs/dbraw/zinc/83/09/63/384830963.db2.gz MZQBOTQXGIKNEO-UHFFFAOYSA-N -1 0 241.040 2.894 50 0 BFAARM Cc1sc(-c2cccs2)nc1C(=O)[O-] ZINC000071532229 384966906 /nfs/dbraw/zinc/96/69/06/384966906.db2.gz ARIYBAZDZSGXSQ-UHFFFAOYSA-N -1 0 225.294 2.878 50 0 BFAARM Cc1csc(C(=O)c2ccccc2C(=O)[O-])c1 ZINC000086032123 384979876 /nfs/dbraw/zinc/97/98/76/384979876.db2.gz MBTWPRYRYRYDRZ-UHFFFAOYSA-N -1 0 246.287 2.986 50 0 BFAARM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccccc2)CC1 ZINC000262713890 385015829 /nfs/dbraw/zinc/01/58/29/385015829.db2.gz MPQWRLZZJNFEEP-XYPYZODXSA-N -1 0 247.294 2.516 50 0 BFAARM Cc1cc(C)c(-c2cc(C(=O)[O-])n(C)n2)cc1C ZINC000061957801 385149204 /nfs/dbraw/zinc/14/92/04/385149204.db2.gz GQPHHSOBANUSHQ-UHFFFAOYSA-N -1 0 244.294 2.711 50 0 BFAARM Cc1nn(C(C)(C)C)c2nc(C)cc(C(=O)[O-])c12 ZINC000032628151 385175259 /nfs/dbraw/zinc/17/52/59/385175259.db2.gz LNABWTAJAKLZLB-UHFFFAOYSA-N -1 0 247.298 2.501 50 0 BFAARM Cc1ccc2c(Cl)nccc2c1C(=O)[O-] ZINC000064033966 385243090 /nfs/dbraw/zinc/24/30/90/385243090.db2.gz DKAFNWYTPLCECP-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM CC(=O)c1c([O-])c(Cl)cc(Cl)c1O ZINC000034320106 385279586 /nfs/dbraw/zinc/27/95/86/385279586.db2.gz JPBMVUZFDSULAA-UHFFFAOYSA-N -1 0 221.039 2.607 50 0 BFAARM O=C([O-])c1sc2ccoc2c1Cl ZINC000228938319 386645236 /nfs/dbraw/zinc/64/52/36/386645236.db2.gz QYNXPBIKUPYWOM-UHFFFAOYSA-N -1 0 202.618 2.846 50 0 BFAARM Cc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000139357907 386993567 /nfs/dbraw/zinc/99/35/67/386993567.db2.gz CFTAMHYOCHSAHZ-UHFFFAOYSA-N -1 0 220.146 2.592 50 0 BFAARM CC[C@@H](C)[C@@H](C)Nc1nc(CC(=O)[O-])cs1 ZINC000087665284 387153564 /nfs/dbraw/zinc/15/35/64/387153564.db2.gz ZIIIKLCUTXJLGP-HTQZYQBOSA-N -1 0 242.344 2.617 50 0 BFAARM CC[C@H](C)[C@@H](C)Nc1nc(CC(=O)[O-])cs1 ZINC000087665285 387154117 /nfs/dbraw/zinc/15/41/17/387154117.db2.gz ZIIIKLCUTXJLGP-JGVFFNPUSA-N -1 0 242.344 2.617 50 0 BFAARM O=C([O-])c1cc(-c2cccc(Cl)c2F)no1 ZINC000126478960 387158128 /nfs/dbraw/zinc/15/81/28/387158128.db2.gz STLINEMAHUDACO-UHFFFAOYSA-N -1 0 241.605 2.832 50 0 BFAARM O=C([O-])CC[C@@H]1CCc2ccccc2C1 ZINC000004825602 387234389 /nfs/dbraw/zinc/23/43/89/387234389.db2.gz UXSTWPJLEBGWSJ-JTQLQIEISA-N -1 0 204.269 2.656 50 0 BFAARM CCc1ccc([C@H](C)[C@@H](C(C)=O)C(=O)[O-])cc1 ZINC000043190894 387267544 /nfs/dbraw/zinc/26/75/44/387267544.db2.gz GJVNRNNEIQSOIK-ZANVPECISA-N -1 0 234.295 2.642 50 0 BFAARM O=C(C=C([O-])c1ccccc1)c1ccccc1O ZINC000017991503 388097766 /nfs/dbraw/zinc/09/77/66/388097766.db2.gz OABFIJGAEVKMJP-UHFFFAOYSA-N -1 0 240.258 2.848 50 0 biogenic BFAARM CC(C)COc1cc(C(=O)[O-])c2ccccc2n1 ZINC000037336585 388424714 /nfs/dbraw/zinc/42/47/14/388424714.db2.gz LLHDSJXTCVATFG-UHFFFAOYSA-N -1 0 245.278 2.968 50 0 BFAARM CC(C)(C)OC(=O)Nc1ncc(Cl)cc1[O-] ZINC000098179744 388510063 /nfs/dbraw/zinc/51/00/63/388510063.db2.gz UCZOCPZOKRYOGX-UHFFFAOYSA-N -1 0 244.678 2.788 50 0 BFAARM O=C([O-])c1cc2scc(Cl)c2[nH]1 ZINC000072226023 388682475 /nfs/dbraw/zinc/68/24/75/388682475.db2.gz FDGNVONVURZBLL-UHFFFAOYSA-N -1 0 201.634 2.581 50 0 BFAARM O=C([O-])c1cnn(-c2ccccc2)c1C(F)F ZINC000061630020 388683351 /nfs/dbraw/zinc/68/33/51/388683351.db2.gz QCVJEOPZSCVJBZ-UHFFFAOYSA-N -1 0 238.193 2.508 50 0 BFAARM O=C([O-])c1ccc(F)c(N2CCCCC2)c1 ZINC000049819158 132358222 /nfs/dbraw/zinc/35/82/22/132358222.db2.gz KNLSDMLOYYLWME-UHFFFAOYSA-N -1 0 223.247 2.514 50 0 BFAARM CC(C)Oc1cc(OC(C)C)cc(C(=O)[O-])c1 ZINC000019908882 167287606 /nfs/dbraw/zinc/28/76/06/167287606.db2.gz JDJUEYKZTTWEOB-UHFFFAOYSA-N -1 0 238.283 2.959 50 0 BFAARM CC(C)Sc1ccc(CC(=O)[O-])cc1 ZINC000000347465 167336975 /nfs/dbraw/zinc/33/69/75/167336975.db2.gz YTQYUIVFQJZMHZ-UHFFFAOYSA-N -1 0 210.298 2.814 50 0 BFAARM CC(C)c1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000006839339 167580629 /nfs/dbraw/zinc/58/06/29/167580629.db2.gz PCZGIQISGVTTCE-UHFFFAOYSA-N -1 0 230.267 2.898 50 0 BFAARM CCOC(=O)C=C([O-])c1ccc(F)c(Cl)c1 ZINC000020475443 170197279 /nfs/dbraw/zinc/19/72/79/170197279.db2.gz KUOACPMHJWOZNC-UHFFFAOYSA-N -1 0 244.649 2.615 50 0 BFAARM CCOC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037484032 170243771 /nfs/dbraw/zinc/24/37/71/170243771.db2.gz FVMQWZHBPOEBKK-UHFFFAOYSA-N -1 0 243.646 2.607 50 0 BFAARM CCc1ccc(-c2ccc(C(=O)[O-])n2C)cc1 ZINC000036917586 171777679 /nfs/dbraw/zinc/77/76/79/171777679.db2.gz VLZOSIVJDMUSNA-UHFFFAOYSA-N -1 0 229.279 2.953 50 0 BFAARM CCc1cccc2c(C(=O)[O-])cc(C)nc12 ZINC000005961999 171867023 /nfs/dbraw/zinc/86/70/23/171867023.db2.gz JNKCJGCFXQNMTM-UHFFFAOYSA-N -1 0 215.252 2.804 50 0 BFAARM CCc1sc(C(=O)[O-])cc1Br ZINC000002557839 172129879 /nfs/dbraw/zinc/12/98/79/172129879.db2.gz IRDAEUDNKBRCAE-UHFFFAOYSA-N -1 0 235.102 2.771 50 0 BFAARM CCn1cc(CCC(=O)[O-])c2ccccc21 ZINC000004384343 172157875 /nfs/dbraw/zinc/15/78/75/172157875.db2.gz SILYAVVCDYJNHK-UHFFFAOYSA-N -1 0 217.268 2.678 50 0 BFAARM CN(C)c1ccc(-c2cncc(C(=O)[O-])c2)cc1 ZINC000032003169 172548131 /nfs/dbraw/zinc/54/81/31/172548131.db2.gz SKTBMKWUAWRZQZ-UHFFFAOYSA-N -1 0 242.278 2.513 50 0 BFAARM CN(C)c1nc(-c2cccs2)ccc1C(=O)[O-] ZINC000049836258 172576204 /nfs/dbraw/zinc/57/62/04/172576204.db2.gz IMZWEHZZDAXLDD-UHFFFAOYSA-N -1 0 248.307 2.574 50 0 BFAARM COc1ccc(-c2cccc(C(=O)[O-])c2)cc1O ZINC000065336989 175034403 /nfs/dbraw/zinc/03/44/03/175034403.db2.gz HKMYZFWAPNUGQJ-UHFFFAOYSA-N -1 0 244.246 2.766 50 0 BFAARM COc1ccc(/C=C/C(=O)[O-])cc1C(F)(F)F ZINC000044214332 175047277 /nfs/dbraw/zinc/04/72/77/175047277.db2.gz IOINNBJLNHLSHD-HWKANZROSA-N -1 0 246.184 2.812 50 0 BFAARM COc1ccc(Oc2ccc(C(=O)[O-])o2)cc1 ZINC000020274396 175173809 /nfs/dbraw/zinc/17/38/09/175173809.db2.gz NNXRUURHXIGDTF-UHFFFAOYSA-N -1 0 234.207 2.779 50 0 BFAARM COc1ccc2c(c1)sc(C)c2C(=O)[O-] ZINC000143560413 175204025 /nfs/dbraw/zinc/20/40/25/175204025.db2.gz QOWXSQNFVNTGQJ-UHFFFAOYSA-N -1 0 222.265 2.917 50 0 BFAARM COc1ccc2c(OC)ccc(C(=O)[O-])c2c1 ZINC000012956779 175206219 /nfs/dbraw/zinc/20/62/19/175206219.db2.gz PCBJZCAKNURVSK-UHFFFAOYSA-N -1 0 232.235 2.555 50 0 BFAARM COc1ccc2ccccc2c1C(=O)[O-] ZINC000000395175 175225559 /nfs/dbraw/zinc/22/55/59/175225559.db2.gz OSTYZAHQVPMQHI-UHFFFAOYSA-N -1 0 202.209 2.547 50 0 BFAARM COc1cccc(-c2cc(O)cc(C(=O)[O-])c2)c1 ZINC000065349963 175234487 /nfs/dbraw/zinc/23/44/87/175234487.db2.gz BSODLKVIIUWBAJ-UHFFFAOYSA-N -1 0 244.246 2.766 50 0 BFAARM COc1cccc(NCc2ccc(C(=O)[O-])o2)c1 ZINC000008702206 175279494 /nfs/dbraw/zinc/27/94/94/175279494.db2.gz OFHGQNXDXZHDJL-UHFFFAOYSA-N -1 0 247.250 2.599 50 0 BFAARM COc1cccc2c(Cl)c(C(=O)[O-])cnc12 ZINC000034343708 175299303 /nfs/dbraw/zinc/29/93/03/175299303.db2.gz QMWBLZDPQJWVRU-UHFFFAOYSA-N -1 0 237.642 2.595 50 0 BFAARM COc1cccc2sc(C(=O)[O-])cc21 ZINC000080443947 175307936 /nfs/dbraw/zinc/30/79/36/175307936.db2.gz HTOLZPMMZRKTCP-UHFFFAOYSA-N -1 0 208.238 2.608 50 0 BFAARM COc1ccccc1-c1ccc(CC(=O)[O-])cc1 ZINC000002581004 175309118 /nfs/dbraw/zinc/30/91/18/175309118.db2.gz JZJOTHHEMRLHTF-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM COc1ccccc1-c1csc(C(=O)[O-])n1 ZINC000012404903 175310180 /nfs/dbraw/zinc/31/01/80/175310180.db2.gz FNGDFKSEPJEEOW-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM CSc1sc(C(=O)[O-])c(C)c1C(C)=O ZINC000000125032 175593766 /nfs/dbraw/zinc/59/37/66/175593766.db2.gz KEWQKVSPZZSZNE-UHFFFAOYSA-N -1 0 230.310 2.679 50 0 BFAARM C[C@H]1CC[C@H](C)N1c1cccc(C(=O)[O-])c1 ZINC000008703802 177200246 /nfs/dbraw/zinc/20/02/46/177200246.db2.gz XRUBTHYGOWUUDN-UWVGGRQHSA-N -1 0 219.284 2.762 50 0 BFAARM Cc1c(C)n(CCC(=O)[O-])c2ccccc12 ZINC000000818928 177577138 /nfs/dbraw/zinc/57/71/38/177577138.db2.gz SWEPFNICPJDRDL-UHFFFAOYSA-N -1 0 217.268 2.733 50 0 BFAARM Cc1c(F)c(F)c(C(=O)[O-])cc1Cl ZINC000002509668 177596219 /nfs/dbraw/zinc/59/62/19/177596219.db2.gz XNUGHWYSXYFWKR-UHFFFAOYSA-N -1 0 206.575 2.625 50 0 BFAARM Cc1c(F)cc(Cl)c(C(=O)[O-])c1F ZINC000098210787 177606723 /nfs/dbraw/zinc/60/67/23/177606723.db2.gz GOWZQYJWODLKSX-UHFFFAOYSA-N -1 0 206.575 2.625 50 0 BFAARM O=C([O-])[C@@H](Cc1ccccc1O)c1ccccc1 ZINC000058001474 487748990 /nfs/dbraw/zinc/74/89/90/487748990.db2.gz PCFIJEDQRIUOAT-ZDUSSCGKSA-N -1 0 242.274 2.803 50 0 BFAARM CCc1ccc(C([O-])=CC(=O)C(F)F)cc1 ZINC000100497217 487946001 /nfs/dbraw/zinc/94/60/01/487946001.db2.gz NZKGGXZCRXAKHD-UHFFFAOYSA-N -1 0 226.222 2.656 50 0 BFAARM O=C([O-])Cc1ccc(/C=C/c2ccccc2)nc1 ZINC000534634191 323156811 /nfs/dbraw/zinc/15/68/11/323156811.db2.gz JHYJFMMQGXNFLZ-SOFGYWHQSA-N -1 0 239.274 2.879 50 0 BFAARM CCn1ncc(-c2ccc(F)c(C)c2)c1C(=O)[O-] ZINC000534658242 323157920 /nfs/dbraw/zinc/15/79/20/323157920.db2.gz OLTQRSPPJQAKER-UHFFFAOYSA-N -1 0 248.257 2.716 50 0 BFAARM Cc1ccc(-c2ccc(CC(=O)[O-])cn2)c(C)c1 ZINC000259121509 323172443 /nfs/dbraw/zinc/17/24/43/323172443.db2.gz HFJYWSHLRVIYQZ-UHFFFAOYSA-N -1 0 241.290 2.993 50 0 BFAARM O=C([O-])c1ccccc1-n1cnc2ccccc21 ZINC000000086654 518201561 /nfs/dbraw/zinc/20/15/61/518201561.db2.gz SSXQFHWSILYDFN-UHFFFAOYSA-N -1 0 238.246 2.724 50 0 BFAARM Cc1ncccc1-c1ccc(C(=O)[O-])s1 ZINC000307520451 566279317 /nfs/dbraw/zinc/27/93/17/566279317.db2.gz QLOWEOJWKYOWSH-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=Cc1cc(-c2cccc(C(=O)[O-])c2)cs1 ZINC000016946377 582458438 /nfs/dbraw/zinc/45/84/38/582458438.db2.gz YTPSXGLWFQVQFO-UHFFFAOYSA-N -1 0 232.260 2.926 50 0 BFAARM C[C@]1(c2ccc(C(=O)[O-])cc2)CC1(F)F ZINC000757122896 582497937 /nfs/dbraw/zinc/49/79/37/582497937.db2.gz ZIIWLNDOLOJNHX-SNVBAGLBSA-N -1 0 212.195 2.682 50 0 BFAARM O=C([O-])/C=C/c1cccc(Br)c1F ZINC000075902123 592312836 /nfs/dbraw/zinc/31/28/36/592312836.db2.gz RWTIAAOXVAUDCJ-SNAWJCMRSA-N -1 0 245.047 2.686 50 0 BFAARM CCC(=O)C(C)=C([O-])c1ccccc1F ZINC000168124258 711624882 /nfs/dbraw/zinc/62/48/82/711624882.db2.gz XNKLVJXOCLEXQO-MRVPVSSYSA-N -1 0 208.232 2.624 50 0 BFAARM O=C([O-])c1cccc(-c2ccc3[nH]ccc3c2)n1 ZINC000534578513 711478379 /nfs/dbraw/zinc/47/83/79/711478379.db2.gz SRRGDKFYSARLQR-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM O=C([O-])CC(F)(F)c1ccc(Cl)cc1 ZINC000215833869 971467860 /nfs/dbraw/zinc/46/78/60/971467860.db2.gz WIFIVDIRPJKPRY-UHFFFAOYSA-N -1 0 220.602 2.907 50 0 BFAARM C[C@H](SCCC(=O)[O-])c1ccccc1 ZINC000070186860 948976583 /nfs/dbraw/zinc/97/65/83/948976583.db2.gz JQLUVXNTOOVWER-VIFPVBQESA-N -1 0 210.298 2.956 50 0 BFAARM O=C([O-])c1cc(-c2ccc(Cl)c(F)c2)[nH]n1 ZINC000258394460 967377836 /nfs/dbraw/zinc/37/78/36/967377836.db2.gz XGJQVEFUIWSAPD-UHFFFAOYSA-N -1 0 240.621 2.567 50 0 BFAARM CCc1ccc(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000002245599 978466921 /nfs/dbraw/zinc/46/69/21/978466921.db2.gz XSRSDDKMGNGPAJ-OLZOCXBDSA-N -1 0 246.306 2.933 50 0 BFAARM Cc1cc(Cl)ccc1C1(C(=O)[O-])CC1 ZINC000084477039 178066468 /nfs/dbraw/zinc/06/64/68/178066468.db2.gz KJOUXBIGBPDTBT-UHFFFAOYSA-N -1 0 210.660 2.765 50 0 BFAARM O=C([O-])[C@H]1Oc2ccccc2[C@@H]1c1ccccc1 ZINC000001587599 259301231 /nfs/dbraw/zinc/30/12/31/259301231.db2.gz CSQHMXGTEXRJLR-KBPBESRZSA-N -1 0 240.258 2.664 50 0 BFAARM O=C([O-])[C@H]1Oc2ccccc2[C@H]1c1ccccc1 ZINC000001587600 259301246 /nfs/dbraw/zinc/30/12/46/259301246.db2.gz CSQHMXGTEXRJLR-KGLIPLIRSA-N -1 0 240.258 2.664 50 0 BFAARM Cc1cc(O[C@@H](C)C(=O)[O-])cc(C(C)C)c1 ZINC000021952279 178212890 /nfs/dbraw/zinc/21/28/90/178212890.db2.gz DLYAUKNSQGGWSV-JTQLQIEISA-N -1 0 222.284 2.970 50 0 BFAARM Cc1cc2ncn([C@@H](C)CC(=O)[O-])c2cc1C ZINC000035741157 178305736 /nfs/dbraw/zinc/30/57/36/178305736.db2.gz PXDPLWVNVVSVAZ-JTQLQIEISA-N -1 0 232.283 2.689 50 0 BFAARM Cc1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000002525675 178326344 /nfs/dbraw/zinc/32/63/44/178326344.db2.gz ZGYKYVFYWKVVED-UHFFFAOYSA-N -1 0 202.209 2.953 50 0 BFAARM Cc1ccc(-c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000144524975 178318659 /nfs/dbraw/zinc/31/86/59/178318659.db2.gz AXCFEYWYCKJCAA-UHFFFAOYSA-N -1 0 215.252 2.699 50 0 BFAARM Cc1ccc(-c2nc(CC(=O)[O-])cs2)cc1 ZINC000004206451 178334900 /nfs/dbraw/zinc/33/49/00/178334900.db2.gz HOHYEMLUXLUALK-UHFFFAOYSA-N -1 0 233.292 2.746 50 0 BFAARM Cc1ccc(-n2[n-]c3c(c2=O)CCCC3)cc1C ZINC000008990161 178344915 /nfs/dbraw/zinc/34/49/15/178344915.db2.gz BAXALIYYGIPOAP-UHFFFAOYSA-N -1 0 242.322 2.661 50 0 BFAARM Cc1c(Cl)cccc1SCC(=O)[O-] ZINC000000132045 342676458 /nfs/dbraw/zinc/67/64/58/342676458.db2.gz MYYDJXQRXGECKC-UHFFFAOYSA-N -1 0 216.689 2.825 50 0 BFAARM O=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000000157137 342677900 /nfs/dbraw/zinc/67/79/00/342677900.db2.gz GRMHOKHCKXBRIB-UHFFFAOYSA-N -1 0 206.172 2.784 50 0 BFAARM O=C([O-])c1ccc(Oc2ccccc2)nc1 ZINC000000158917 342678114 /nfs/dbraw/zinc/67/81/14/342678114.db2.gz GFEUNYLQJDQNAN-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM O=C([O-])c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000000188355 342679502 /nfs/dbraw/zinc/67/95/02/342679502.db2.gz QOBMMAOTJBWMQO-UHFFFAOYSA-N -1 0 247.294 2.904 50 0 BFAARM O=C([O-])c1ccc2[nH]c3c(c2c1)CSCC3 ZINC000000211120 342680400 /nfs/dbraw/zinc/68/04/00/342680400.db2.gz KWLCAPKPQWXVPQ-UHFFFAOYSA-N -1 0 233.292 2.655 50 0 biogenic BFAARM O=C([O-])c1cc(-n2cccc2)ccc1Cl ZINC000000253709 342681318 /nfs/dbraw/zinc/68/13/18/342681318.db2.gz HPAOLHCBQKYITR-UHFFFAOYSA-N -1 0 221.643 2.829 50 0 BFAARM O=C([O-])c1ccc2c(c1)ncn2C1CCCC1 ZINC000000257587 342681322 /nfs/dbraw/zinc/68/13/22/342681322.db2.gz WLNVBEPDJTXPOD-UHFFFAOYSA-N -1 0 230.267 2.850 50 0 BFAARM O=C([O-])c1cc(Cl)nc2ccccc21 ZINC000000275761 342682151 /nfs/dbraw/zinc/68/21/51/342682151.db2.gz ICNCOMYUODLTAI-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CCSc1cc(C(=O)[O-])c(NC(C)=O)s1 ZINC000000336296 342683778 /nfs/dbraw/zinc/68/37/78/342683778.db2.gz PUBYOQUCKIICNE-UHFFFAOYSA-N -1 0 245.325 2.517 50 0 BFAARM Cc1ccc2nc(Cl)c(C(=O)[O-])cc2c1 ZINC000000422515 342687376 /nfs/dbraw/zinc/68/73/76/342687376.db2.gz DBGAUWPEPWBXEG-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM O=C([O-])c1ccc(CNc2ccccc2)cc1 ZINC000000461864 342687912 /nfs/dbraw/zinc/68/79/12/342687912.db2.gz OCIROXLDYGJVJX-UHFFFAOYSA-N -1 0 227.263 2.997 50 0 BFAARM O=C([O-])c1ccc2nc(-n3cccc3)sc2c1 ZINC000001043442 342696246 /nfs/dbraw/zinc/69/62/46/342696246.db2.gz DPZMSPMBTFFIAN-UHFFFAOYSA-N -1 0 244.275 2.785 50 0 BFAARM CC(C)c1ccccc1O[C@@H](C)C(=O)[O-] ZINC000001459383 342701427 /nfs/dbraw/zinc/70/14/27/342701427.db2.gz KJOWLMCSCDFVCH-VIFPVBQESA-N -1 0 208.257 2.662 50 0 BFAARM Cc1[nH]c2c(c1CC(=O)[O-])c(C)ccc2C ZINC000001577691 342703978 /nfs/dbraw/zinc/70/39/78/342703978.db2.gz FOYXJMABOXFXKS-UHFFFAOYSA-N -1 0 217.268 2.720 50 0 in-vitro BFAARM O=C([O-])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000002382246 342719593 /nfs/dbraw/zinc/71/95/93/342719593.db2.gz QGVQWEOEEXGRSD-UHFFFAOYSA-N -1 0 240.564 2.937 50 0 BFAARM CCCCCOc1ccc(C(=O)[O-])cc1OC ZINC000001791643 342712693 /nfs/dbraw/zinc/71/26/93/342712693.db2.gz HVTHYMNEWWNSKM-UHFFFAOYSA-N -1 0 238.283 2.962 50 0 BFAARM CCc1ccc(-c2cc(C(=O)[O-])no2)cc1 ZINC000004234924 342744832 /nfs/dbraw/zinc/74/48/32/342744832.db2.gz FNTZJQFGZFDXPX-UHFFFAOYSA-N -1 0 217.224 2.602 50 0 BFAARM O=C([O-])c1cc2c(cc(F)cc2Cl)[nH]1 ZINC000004237917 342745107 /nfs/dbraw/zinc/74/51/07/342745107.db2.gz RDHOUUUIUOTJBC-UHFFFAOYSA-N -1 0 213.595 2.659 50 0 BFAARM Nc1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000002513016 342721709 /nfs/dbraw/zinc/72/17/09/342721709.db2.gz UJLZGGUKWSTQJC-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM CC[C@@H](Oc1cccc(C)c1C)C(=O)[O-] ZINC000002526147 342722483 /nfs/dbraw/zinc/72/24/83/342722483.db2.gz KSFMZAWHPAXTJY-SNVBAGLBSA-N -1 0 208.257 2.545 50 0 BFAARM CC[C@@H](Oc1cccc(Cl)c1)C(=O)[O-] ZINC000002581487 342725488 /nfs/dbraw/zinc/72/54/88/342725488.db2.gz LTNOFNYWTSJBRJ-SECBINFHSA-N -1 0 214.648 2.582 50 0 BFAARM CC(=O)NCCCCCCC[C@H](C)CC(=O)[O-] ZINC000002839274 342727294 /nfs/dbraw/zinc/72/72/94/342727294.db2.gz AVTGMVQLGJWMPV-NSHDSACASA-N -1 0 243.347 2.574 50 0 BFAARM CCOc1ccc([O-])c(C(=O)C(F)(F)F)c1 ZINC000003284952 342732208 /nfs/dbraw/zinc/73/22/08/342732208.db2.gz CMRFWWLTDQBDHT-UHFFFAOYSA-N -1 0 234.173 2.536 50 0 BFAARM CC(C)n1c(=O)c2ccccc2[n-]c1=S ZINC000003311567 342732442 /nfs/dbraw/zinc/73/24/42/342732442.db2.gz NMKBNUTUGMKWQF-UHFFFAOYSA-N -1 0 220.297 2.640 50 0 BFAARM Cc1sc2[n-]c(=S)[nH]c(=S)c2c1C ZINC000004665090 342749980 /nfs/dbraw/zinc/74/99/80/342749980.db2.gz RUZRIJPXQURTHC-UHFFFAOYSA-N -1 0 228.367 2.886 50 0 BFAARM Cc1ccc(Cl)c2cc(C(=O)[O-])[nH]c21 ZINC000003748663 342737427 /nfs/dbraw/zinc/73/74/27/342737427.db2.gz FWQYHOVIKRXVTJ-UHFFFAOYSA-N -1 0 209.632 2.828 50 0 BFAARM Cc1c2[nH]c(C(=O)[O-])cc2ccc1Cl ZINC000003748655 342737433 /nfs/dbraw/zinc/73/74/33/342737433.db2.gz JJHFWFJPRJVRAW-UHFFFAOYSA-N -1 0 209.632 2.828 50 0 BFAARM CCOc1ccc(CCCC(=O)[O-])cc1C ZINC000004943452 342754790 /nfs/dbraw/zinc/75/47/90/342754790.db2.gz RTUPESKXAWIZEA-UHFFFAOYSA-N -1 0 222.284 2.801 50 0 BFAARM CCCCSc1n[n-]c(=S)s1 ZINC000005309545 342761905 /nfs/dbraw/zinc/76/19/05/342761905.db2.gz PNYIQXPKCZLYSN-UHFFFAOYSA-N -1 0 206.361 2.719 50 0 BFAARM O=C([O-])c1cccc2[nH]c(-c3ccccc3)nc21 ZINC000006740824 342781828 /nfs/dbraw/zinc/78/18/28/342781828.db2.gz LZGYSXDYTDCYCR-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM CCCc1c(C(=O)[O-])cnn1-c1ccc(F)cc1 ZINC000006774455 342782688 /nfs/dbraw/zinc/78/26/88/342782688.db2.gz VEORDRZPVCZNOY-UHFFFAOYSA-N -1 0 248.257 2.662 50 0 BFAARM Cc1ccc(Br)c(C)c1C(=O)[O-] ZINC000007023270 342787461 /nfs/dbraw/zinc/78/74/61/342787461.db2.gz KSSHISAHZOMUES-UHFFFAOYSA-N -1 0 229.073 2.764 50 0 BFAARM CC(C)c1ccc(-c2n[nH]cc2C(=O)[O-])cc1 ZINC000009189793 342809305 /nfs/dbraw/zinc/80/93/05/342809305.db2.gz NDTGLPISIGZOKS-UHFFFAOYSA-N -1 0 230.267 2.898 50 0 BFAARM O=C([O-])c1cccc(OC2CCCC2)c1 ZINC000009237021 342810785 /nfs/dbraw/zinc/81/07/85/342810785.db2.gz GFTZDGGMZKVKKN-UHFFFAOYSA-N -1 0 206.241 2.706 50 0 BFAARM CCCn1cc(C(=O)[O-])c2ccccc21 ZINC000009239690 342810867 /nfs/dbraw/zinc/81/08/67/342810867.db2.gz BKSKGOOUSZXLEC-UHFFFAOYSA-N -1 0 203.241 2.750 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000002574470 178446646 /nfs/dbraw/zinc/44/66/46/178446646.db2.gz CRUKTNRPTRXQRA-STQMWFEESA-N -1 0 246.306 2.987 50 0 BFAARM CC(C)Cc1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000011729623 342842663 /nfs/dbraw/zinc/84/26/63/342842663.db2.gz KXPRFBKERNQEQM-UHFFFAOYSA-N -1 0 244.294 2.769 50 0 BFAARM Cc1sc(-c2ccccc2)nc1C(=O)[O-] ZINC000011766520 342843308 /nfs/dbraw/zinc/84/33/08/342843308.db2.gz SDQFOJCLVJKFPG-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM Cc1cc(CC(=O)[O-])cc(OC(F)(F)F)c1 ZINC000016158959 342907246 /nfs/dbraw/zinc/90/72/46/342907246.db2.gz VEEJCMLHVUBOPJ-UHFFFAOYSA-N -1 0 234.173 2.521 50 0 BFAARM Cc1ccc(-c2ccncc2)c(C(=O)[O-])c1 ZINC000047216817 342902309 /nfs/dbraw/zinc/90/23/09/342902309.db2.gz ZROCQRNFZAKYRH-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Nc1nc(=S)[nH]c2sc3c(c21)CCCC3 ZINC000017837262 342928358 /nfs/dbraw/zinc/92/83/58/342928358.db2.gz BVCFRCXNYKHHCX-UHFFFAOYSA-N -1 0 237.353 2.815 50 0 BFAARM O=c1[nH]c(=S)[n-]c2sc3c(c21)CCCC3 ZINC000018251019 342935684 /nfs/dbraw/zinc/93/56/84/342935684.db2.gz RSNWFCGFCZRUBO-UHFFFAOYSA-N -1 0 238.337 2.526 50 0 BFAARM O=C([O-])Cc1ccc2c3c(cccc31)CC2 ZINC000000276106 398332987 /nfs/dbraw/zinc/33/29/87/398332987.db2.gz SDZPEUVJBKVXJD-UHFFFAOYSA-N -1 0 212.248 2.566 50 0 BFAARM Cc1ccc(C)c(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000002245608 178466772 /nfs/dbraw/zinc/46/67/72/178466772.db2.gz IXRYEWWKVYLYLA-NEPJUHHUSA-N -1 0 246.306 2.987 50 0 BFAARM CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000019094210 342941713 /nfs/dbraw/zinc/94/17/13/342941713.db2.gz YMERGXVWLWRYGI-ZDUSSCGKSA-N -1 0 234.295 2.807 50 0 BFAARM COc1cc(C(=O)[O-])ccc1OC1CCCC1 ZINC000019264831 342944979 /nfs/dbraw/zinc/94/49/79/342944979.db2.gz UDNXKKGEMXXJBQ-UHFFFAOYSA-N -1 0 236.267 2.715 50 0 BFAARM O=C([O-])c1ccnc(Oc2ccccc2)c1 ZINC000019812967 342958598 /nfs/dbraw/zinc/95/85/98/342958598.db2.gz MVRLAYNMGBRJTD-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM O=C([O-])c1ccc2oc(-c3ccncc3)nc2c1 ZINC000020158796 342973413 /nfs/dbraw/zinc/97/34/13/342973413.db2.gz KXANPESVSHKFIO-UHFFFAOYSA-N -1 0 240.218 2.588 50 0 BFAARM S=c1[n-]nc(CCCc2ccccc2)o1 ZINC000020159275 342973467 /nfs/dbraw/zinc/97/34/67/342973467.db2.gz VGBARPYEHOZJAD-UHFFFAOYSA-N -1 0 220.297 2.534 50 0 BFAARM C[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000020260005 342978915 /nfs/dbraw/zinc/97/89/15/342978915.db2.gz JROPKMLQQNKNMQ-ZCFIWIBFSA-N -1 0 200.184 2.543 50 0 BFAARM O=C([O-])c1ccc(CSC(F)F)cc1 ZINC000020281825 342980270 /nfs/dbraw/zinc/98/02/70/342980270.db2.gz ZEUCHMOFBNVMSA-UHFFFAOYSA-N -1 0 218.224 2.841 50 0 BFAARM Cc1ccc(Cc2ccc(C(=O)[O-])o2)cc1 ZINC000022113273 343039924 /nfs/dbraw/zinc/03/99/24/343039924.db2.gz ZKUZBZHMUKAZDY-UHFFFAOYSA-N -1 0 216.236 2.877 50 0 BFAARM O=C([O-])c1cc2c(cccc2OC(F)(F)F)[nH]1 ZINC000021951625 343029105 /nfs/dbraw/zinc/02/91/05/343029105.db2.gz NXLKLROWBALFPC-UHFFFAOYSA-N -1 0 245.156 2.765 50 0 BFAARM O=C([O-])c1cc(-c2ccc(Cl)s2)on1 ZINC000022176002 343043094 /nfs/dbraw/zinc/04/30/94/343043094.db2.gz JMQBVJRNJFBDFK-UHFFFAOYSA-N -1 0 229.644 2.755 50 0 in-vitro BFAARM O=C([O-])c1ccc2cc(C(F)(F)F)ccc2n1 ZINC000026474810 343105580 /nfs/dbraw/zinc/10/55/80/343105580.db2.gz LSVFVSVUKCIBHC-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM S=c1[n-]nc(COc2ccccc2Cl)o1 ZINC000005636940 187247872 /nfs/dbraw/zinc/24/78/72/187247872.db2.gz VHRAIEILHYCYLA-UHFFFAOYSA-N -1 0 242.687 2.591 50 0 BFAARM CC(C)(C)[C@H]1CCc2onc(C(=O)[O-])c2C1 ZINC000000818991 187244832 /nfs/dbraw/zinc/24/48/32/187244832.db2.gz YAICHDLMXOAJLD-ZETCQYMHSA-N -1 0 223.272 2.524 50 0 BFAARM Cc1c(Cl)ccc2cc(C(=O)[O-])cnc12 ZINC000032099620 343229623 /nfs/dbraw/zinc/22/96/23/343229623.db2.gz ZXPHIRMIGFRUSX-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM O=C(c1ccc(Cl)cc1)c1ccc(O)cc1[O-] ZINC000032150500 343230038 /nfs/dbraw/zinc/23/00/38/343230038.db2.gz OKCRKLJFFOUPLM-UHFFFAOYSA-N -1 0 248.665 2.982 50 0 BFAARM CCc1c(F)c(F)c(F)c(F)c1C(=O)[O-] ZINC000002906063 343272473 /nfs/dbraw/zinc/27/24/73/343272473.db2.gz BKUSWHYXCYBQJU-UHFFFAOYSA-N -1 0 222.137 2.504 50 0 BFAARM Cc1nc([C@H](C(=O)[O-])c2ccccc2)cs1 ZINC000004840165 343273585 /nfs/dbraw/zinc/27/35/85/343273585.db2.gz NZZPQODMRIZZFI-LLVKDONJSA-N -1 0 233.292 2.668 50 0 BFAARM O=C([O-])c1c2ccccc2nc2c1CCCC2 ZINC000019229872 187251527 /nfs/dbraw/zinc/25/15/27/187251527.db2.gz JYVPWMIZRISTEH-UHFFFAOYSA-N -1 0 227.263 2.812 50 0 BFAARM O=C([O-])c1ccc(Oc2ccc(F)cc2)o1 ZINC000034620270 343276375 /nfs/dbraw/zinc/27/63/75/343276375.db2.gz NYNALZGHLPEMTF-UHFFFAOYSA-N -1 0 222.171 2.909 50 0 BFAARM CSc1cc(C(=O)[O-])ccc1Cl ZINC000035287618 343292776 /nfs/dbraw/zinc/29/27/76/343292776.db2.gz 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50 0 BFAARM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000040377496 343401133 /nfs/dbraw/zinc/40/11/33/343401133.db2.gz MRVJHZZQDZTGDM-SSDOTTSWSA-N -1 0 248.200 2.848 50 0 BFAARM CCCc1c(C(=O)[O-])cnn1C1CCCC1 ZINC000040927476 343411263 /nfs/dbraw/zinc/41/12/63/343411263.db2.gz VMDGPYPRHMXODT-UHFFFAOYSA-N -1 0 222.288 2.649 50 0 BFAARM O=C([O-])c1cccc(Oc2nccs2)c1 ZINC000042415479 343436845 /nfs/dbraw/zinc/43/68/45/343436845.db2.gz MLQUPWHFFILBPO-UHFFFAOYSA-N -1 0 221.237 2.634 50 0 BFAARM O=C([O-])[C@H](Cc1cccnc1)C1CCCC1 ZINC000160976180 343554292 /nfs/dbraw/zinc/55/42/92/343554292.db2.gz QAANXPFCODQHLD-GFCCVEGCSA-N -1 0 219.284 2.515 50 0 BFAARM CCOc1cccc(C(=O)CCCC(=O)[O-])c1 ZINC000043214202 187266916 /nfs/dbraw/zinc/26/69/16/187266916.db2.gz UYYYENWWXXPKNK-UHFFFAOYSA-N -1 0 236.267 2.523 50 0 BFAARM Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000041232245 187264592 /nfs/dbraw/zinc/26/45/92/187264592.db2.gz JTBLCTARJWHPQQ-UHFFFAOYSA-N -1 0 219.215 2.827 50 0 BFAARM Cc1oc(-c2cccc(C)c2)nc1CC(=O)[O-] ZINC000049632718 343604752 /nfs/dbraw/zinc/60/47/52/343604752.db2.gz PCFWEJGHKTYOHF-UHFFFAOYSA-N -1 0 231.251 2.586 50 0 BFAARM O=C([O-])c1nccc2cc(Cl)ccc21 ZINC000082377504 187282161 /nfs/dbraw/zinc/28/21/61/187282161.db2.gz CHJRVNVGFZPCJH-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1cccnc1NCc1cccc(F)c1 ZINC000020473747 344268423 /nfs/dbraw/zinc/26/84/23/344268423.db2.gz PGVJZFQHUYJQFR-UHFFFAOYSA-N -1 0 246.241 2.531 50 0 BFAARM Fc1cccc([S-])c1Br ZINC000142245185 187298826 /nfs/dbraw/zinc/29/88/26/187298826.db2.gz HMGKBHFZGRFZKC-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM [O-]c1c(Br)ccnc1C(F)(F)F ZINC000238711294 345115503 /nfs/dbraw/zinc/11/55/03/345115503.db2.gz FBOPJQAVFDEAQR-UHFFFAOYSA-N -1 0 241.994 2.569 50 0 BFAARM Cc1cccc(CSc2nc(C)cc(=O)[nH]2)c1 ZINC000000142199 345269295 /nfs/dbraw/zinc/26/92/95/345269295.db2.gz INKYLPORZQVSCK-UHFFFAOYSA-N -1 0 246.335 2.679 50 0 BFAARM Cc1onc(-c2ccc(C)cc2C)c1C(=O)[O-] ZINC000070426673 345707283 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AVMGXXCTNFBLOD-IJCCGVNOSA-N -1 0 238.290 2.768 50 0 BFAARM CCCCc1onc(-c2ccco2)c1C(=O)[O-] ZINC000675057488 538479975 /nfs/dbraw/zinc/47/99/75/538479975.db2.gz HDJLYYXJTXUELK-UHFFFAOYSA-N -1 0 235.239 2.975 50 0 BFAARM CCOc1ccc(C(=O)[O-])c2ccccc12 ZINC000033790329 356701262 /nfs/dbraw/zinc/70/12/62/356701262.db2.gz AOKDTARDWHVNDE-UHFFFAOYSA-N -1 0 216.236 2.937 50 0 BFAARM O=Cc1cccc([S-])c1Br ZINC000088247245 538571413 /nfs/dbraw/zinc/57/14/13/538571413.db2.gz MIKKMDPYZKEEMX-UHFFFAOYSA-N -1 0 217.087 2.550 50 0 BFAARM CC(C)Cc1ccc(CCC(=O)[O-])cc1 ZINC000016698049 219814007 /nfs/dbraw/zinc/81/40/07/219814007.db2.gz DYNVRFFVBZVRND-UHFFFAOYSA-N -1 0 206.285 2.902 50 0 in-vitro BFAARM O=C([O-])c1cnc(-c2ccc(Cl)s2)nc1 ZINC000306683766 541313696 /nfs/dbraw/zinc/31/36/96/541313696.db2.gz XLANCXHJFMRGRC-UHFFFAOYSA-N -1 0 240.671 2.557 50 0 BFAARM CCCCN(C)c1c([O-])c2ccccc2oc1=O ZINC000019879189 368370882 /nfs/dbraw/zinc/37/08/82/368370882.db2.gz ZPSZAVKZZNNWJM-UHFFFAOYSA-N -1 0 247.294 2.735 50 0 BFAARM CCOc1cc(C(=O)[O-])ccc1Br ZINC000028278264 371583016 /nfs/dbraw/zinc/58/30/16/371583016.db2.gz KTBJPOSCZHJGRM-UHFFFAOYSA-N -1 0 245.072 2.546 50 0 BFAARM CC(C)C[C@@H](COCc1ccccc1)C(=O)[O-] ZINC000230082479 371828321 /nfs/dbraw/zinc/82/83/21/371828321.db2.gz QLSBJDHEYAHBKC-ZDUSSCGKSA-N -1 0 236.311 2.950 50 0 BFAARM O=C([O-])c1cccc2c(-c3cccs3)n[nH]c21 ZINC000031990429 372130133 /nfs/dbraw/zinc/13/01/33/372130133.db2.gz GHFUBGSHOHQWMD-UHFFFAOYSA-N -1 0 244.275 2.990 50 0 BFAARM O=C([O-])c1ccccc1NC(=O)c1ccsc1 ZINC000008231196 182377767 /nfs/dbraw/zinc/37/77/67/182377767.db2.gz JVNPVDJFOUFLKM-UHFFFAOYSA-N -1 0 247.275 2.699 50 0 BFAARM O=C([O-])/C=C\c1ccccc1OC(F)(F)F ZINC000045329475 182415225 /nfs/dbraw/zinc/41/52/25/182415225.db2.gz RTCUAUKXVCMIBS-WAYWQWQTSA-N -1 0 232.157 2.683 50 0 BFAARM O=C([O-])CCCC(=O)Nc1ccccc1Cl ZINC000004795478 182435492 /nfs/dbraw/zinc/43/54/92/182435492.db2.gz YMDBQOCQTCIQBR-UHFFFAOYSA-N -1 0 241.674 2.533 50 0 BFAARM O=C([O-])CCc1cc2ccccc2s1 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O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000328579392 182531394 /nfs/dbraw/zinc/53/13/94/182531394.db2.gz FJFORPKGTCBBPR-GHNGIAPOSA-N -1 0 222.206 2.686 50 0 BFAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)no1 ZINC000000167403 182550263 /nfs/dbraw/zinc/55/02/63/182550263.db2.gz COIATTMFFQMKKS-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])c1ccc(C(F)(F)Cl)cc1 ZINC000044224859 182564396 /nfs/dbraw/zinc/56/43/96/182564396.db2.gz SQWZPCPYWCYVDS-UHFFFAOYSA-N -1 0 206.575 2.673 50 0 BFAARM O=C([O-])c1cccc(-c2cccc(CO)c2)c1 ZINC000016947602 182575696 /nfs/dbraw/zinc/57/56/96/182575696.db2.gz SWVDMIKPVOEKNC-UHFFFAOYSA-N -1 0 228.247 2.544 50 0 BFAARM O=C([O-])c1cc2cc(F)ccc2nc1Cl ZINC000011985718 182560298 /nfs/dbraw/zinc/56/02/98/182560298.db2.gz IDKZKIHFKUKUCY-UHFFFAOYSA-N -1 0 225.606 2.726 50 0 BFAARM O=C([O-])c1ccc(-c2ncccc2F)cc1 ZINC000075877677 182562404 /nfs/dbraw/zinc/56/24/04/182562404.db2.gz PJLFLAVUDJSGDA-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM CCCCOc1cc(C(=O)[O-])ccc1OC 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0 248.122 2.900 50 0 BFAARM O=C([O-])COC(c1ccccc1)c1ccccc1 ZINC000000378097 383860080 /nfs/dbraw/zinc/86/00/80/383860080.db2.gz KWGQOJWITMQEOT-UHFFFAOYSA-N -1 0 242.274 2.877 50 0 BFAARM O=C([O-])c1nc(Cl)c(Cl)cc1Cl ZINC000000507143 383872640 /nfs/dbraw/zinc/87/26/40/383872640.db2.gz TVMKSGXYTVKNRK-UHFFFAOYSA-N -1 0 226.446 2.740 50 0 BFAARM CC[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000000568658 383875416 /nfs/dbraw/zinc/87/54/16/383875416.db2.gz AMFQZVLREQJRQU-VIFPVBQESA-N -1 0 208.257 2.664 50 0 BFAARM O=Cc1cc(Cl)cc(Br)c1[O-] ZINC000000122906 383830955 /nfs/dbraw/zinc/83/09/55/383830955.db2.gz KNOYZLVIXXBBIB-UHFFFAOYSA-N -1 0 235.464 2.621 50 0 BFAARM O=C([O-])CCCCC(=O)c1ccccc1 ZINC000001712905 383929041 /nfs/dbraw/zinc/92/90/41/383929041.db2.gz AIEMSTCGCMIJTI-UHFFFAOYSA-N -1 0 206.241 2.514 50 0 in-vitro BFAARM O=C([O-])c1csc(CCc2ccccc2)n1 ZINC000036220723 383887654 /nfs/dbraw/zinc/88/76/54/383887654.db2.gz JQBNOUSTIWPHQS-UHFFFAOYSA-N -1 0 233.292 2.627 50 0 BFAARM O=Cc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1 ZINC000002581024 383978792 /nfs/dbraw/zinc/97/87/92/383978792.db2.gz VRIMIPHUAHCGAI-UHFFFAOYSA-N -1 0 240.258 2.793 50 0 BFAARM O=Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000002580941 383979192 /nfs/dbraw/zinc/97/91/92/383979192.db2.gz VOHABWOWKDXZIM-UHFFFAOYSA-N -1 0 226.231 2.864 50 0 BFAARM Cc1nc(-c2cc(C(=O)[O-])oc2C)cs1 ZINC000068590017 383999376 /nfs/dbraw/zinc/99/93/76/383999376.db2.gz QMQJWUNVRSXWDB-UHFFFAOYSA-N -1 0 223.253 2.718 50 0 BFAARM Cc1ccc(C)c(OCCCC(=O)[O-])c1 ZINC000001777747 383936223 /nfs/dbraw/zinc/93/62/23/383936223.db2.gz DEPUDJQRJVDTBF-UHFFFAOYSA-N -1 0 208.257 2.547 50 0 BFAARM Cc1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000001871144 383939399 /nfs/dbraw/zinc/93/93/99/383939399.db2.gz OLCDCKDJWZYWDM-UHFFFAOYSA-N -1 0 208.257 2.547 50 0 BFAARM Cc1cc(C)cc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000002245632 383955622 /nfs/dbraw/zinc/95/56/22/383955622.db2.gz UULJYEIVQURUSE-QWHCGFSZSA-N -1 0 246.306 2.987 50 0 BFAARM O=C([O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000002382128 383959487 /nfs/dbraw/zinc/95/94/87/383959487.db2.gz PDKWZFJSOMUXLE-UHFFFAOYSA-N -1 0 238.592 2.986 50 0 BFAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccco1 ZINC000003223886 384001393 /nfs/dbraw/zinc/00/13/93/384001393.db2.gz UAYLOXAZFQONER-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000002521383 383969402 /nfs/dbraw/zinc/96/94/02/383969402.db2.gz DHFHOLRIPOTVQX-UHFFFAOYSA-N -1 0 232.235 2.865 50 0 BFAARM O=C([O-])/C=C/c1cc(F)cc(Cl)c1 ZINC000002528410 383971751 /nfs/dbraw/zinc/97/17/51/383971751.db2.gz XHRJSHYRAZWUNA-OWOJBTEDSA-N -1 0 200.596 2.577 50 0 BFAARM O=Cc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000002525619 383971756 /nfs/dbraw/zinc/97/17/56/383971756.db2.gz QOCUSJPHQSKJJR-UHFFFAOYSA-N -1 0 226.231 2.864 50 0 BFAARM O=C([O-])Cn1c2ccccc2c2ccccc21 ZINC000002565464 383976358 /nfs/dbraw/zinc/97/63/58/383976358.db2.gz PBDMLLFEZXXJNE-UHFFFAOYSA-N -1 0 225.247 2.879 50 0 BFAARM O=Cc1cc(Br)cc(Cl)c1[O-] ZINC000003765052 384026700 /nfs/dbraw/zinc/02/67/00/384026700.db2.gz XXFFEGBFFXHMTF-UHFFFAOYSA-N -1 0 235.464 2.621 50 0 BFAARM Nc1cccc(Oc2ccc(C(=O)[O-])cc2)c1 ZINC000090600614 384060966 /nfs/dbraw/zinc/06/09/66/384060966.db2.gz XBSWHOWJHICZQW-UHFFFAOYSA-N -1 0 229.235 2.759 50 0 BFAARM CCCN1CCCCc2cc(C(=O)[O-])sc21 ZINC000257189341 384075485 /nfs/dbraw/zinc/07/54/85/384075485.db2.gz NQYXYDDYMZSJTL-UHFFFAOYSA-N -1 0 239.340 2.999 50 0 BFAARM Cc1ccc(OC(F)(F)F)cc1C(=O)[O-] ZINC000091252059 384111874 /nfs/dbraw/zinc/11/18/74/384111874.db2.gz IBHIJPBIQCIAES-UHFFFAOYSA-N -1 0 220.146 2.592 50 0 BFAARM O=C([O-])c1ccc(Cl)cc1OC(F)(F)F ZINC000091252028 384111939 /nfs/dbraw/zinc/11/19/39/384111939.db2.gz SSORZLDIKSZDTH-UHFFFAOYSA-N -1 0 240.564 2.937 50 0 BFAARM Cc1noc(C)c1Cc1ccc(C(=O)[O-])s1 ZINC000004992772 384095155 /nfs/dbraw/zinc/09/51/55/384095155.db2.gz DJFBZUOJSIVWLI-UHFFFAOYSA-N -1 0 237.280 2.642 50 0 BFAARM CCOc1cc(C(=O)[O-])nc2ccc(C)cc21 ZINC000071775232 384178109 /nfs/dbraw/zinc/17/81/09/384178109.db2.gz ULQQHROLBFQJAI-UHFFFAOYSA-N -1 0 231.251 2.640 50 0 BFAARM O=C([O-])c1cc(Cl)ccc1OC(F)(F)F ZINC000071867303 384183543 /nfs/dbraw/zinc/18/35/43/384183543.db2.gz MXQBGMLCAJITNV-UHFFFAOYSA-N -1 0 240.564 2.937 50 0 BFAARM Cc1cc(C)cc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000043879211 384305824 /nfs/dbraw/zinc/30/58/24/384305824.db2.gz UULJYEIVQURUSE-CHWSQXEVSA-N -1 0 246.306 2.987 50 0 BFAARM C/C(=C\C(=O)[O-])c1ccc(Br)cc1 ZINC000011628507 384291785 /nfs/dbraw/zinc/29/17/85/384291785.db2.gz XEIILUUUDHTYPZ-VOTSOKGWSA-N -1 0 241.084 2.937 50 0 BFAARM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)[O-] ZINC000095911099 384408211 /nfs/dbraw/zinc/40/82/11/384408211.db2.gz YUJZBOIWYIYWLF-HSTULFTRSA-N -1 0 220.268 2.962 50 0 BFAARM COc1c(C)cc(C(=O)[O-])cc1C(F)(F)F ZINC000096029406 384420858 /nfs/dbraw/zinc/42/08/58/384420858.db2.gz QUPPMFMWSDFHRQ-UHFFFAOYSA-N -1 0 234.173 2.721 50 0 BFAARM Cc1c2ccc(C(=O)[O-])cc2nn1C(C)(C)C ZINC000215765013 384551923 /nfs/dbraw/zinc/55/19/23/384551923.db2.gz GACXVVKHDZMILT-UHFFFAOYSA-N -1 0 232.283 2.798 50 0 BFAARM CCCCCc1ccc(OCC(=O)[O-])cc1 ZINC000098063836 384587707 /nfs/dbraw/zinc/58/77/07/384587707.db2.gz DTVFPSLQRRXKQW-UHFFFAOYSA-N -1 0 222.284 2.883 50 0 BFAARM CCCc1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100337428 384634366 /nfs/dbraw/zinc/63/43/66/384634366.db2.gz YNKWZUUUFSSUCU-UHFFFAOYSA-N -1 0 243.306 2.606 50 0 BFAARM Nc1cc(-c2ccc(C(=O)[O-])o2)ccc1Cl ZINC000073640308 384655016 /nfs/dbraw/zinc/65/50/16/384655016.db2.gz OXEDLYKYFDBEEA-UHFFFAOYSA-N -1 0 237.642 2.880 50 0 BFAARM Fc1cc2[n-]c(=S)oc2c(Cl)c1 ZINC000052066096 384715040 /nfs/dbraw/zinc/71/50/40/384715040.db2.gz VDYXZRRIZKZXBI-UHFFFAOYSA-N -1 0 203.625 2.909 50 0 BFAARM Cc1cc(-c2ccccc2C(=O)[O-])sn1 ZINC000083010656 384737852 /nfs/dbraw/zinc/73/78/52/384737852.db2.gz JTIXFJGVTBRJIA-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM Cc1ccc(NC(=O)C2CC=CC2)cc1C(=O)[O-] ZINC000085159884 384768410 /nfs/dbraw/zinc/76/84/10/384768410.db2.gz FTPZAOFNEUTRSO-UHFFFAOYSA-N -1 0 245.278 2.598 50 0 BFAARM O=C([O-])C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000034293461 385275982 /nfs/dbraw/zinc/27/59/82/385275982.db2.gz BUJBAYNWPMAINK-RNFRBKRXSA-N -1 0 210.195 2.830 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(F)cc2O)c(O)c1 ZINC000065350194 385301407 /nfs/dbraw/zinc/30/14/07/385301407.db2.gz NTWLLIMQLCBEPS-UHFFFAOYSA-N -1 0 248.209 2.602 50 0 BFAARM CCCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000019838375 385330038 /nfs/dbraw/zinc/33/00/38/385330038.db2.gz BDHAGVMNUYVJKS-UHFFFAOYSA-N -1 0 227.691 2.576 50 0 BFAARM O=C([O-])Cc1c(Cl)cc(F)cc1Cl ZINC000263624386 386157848 /nfs/dbraw/zinc/15/78/48/386157848.db2.gz PYYJGBRXHSGOBY-UHFFFAOYSA-N -1 0 223.030 2.760 50 0 BFAARM O=C([O-])/C=C\c1ccc(C(F)(F)F)c(O)c1 ZINC000380513388 386130404 /nfs/dbraw/zinc/13/04/04/386130404.db2.gz QBERWMHZJGIPRH-RQOWECAXSA-N -1 0 232.157 2.509 50 0 BFAARM CN(c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000033507817 386201364 /nfs/dbraw/zinc/20/13/64/386201364.db2.gz PGNOYARCOJMDDM-UHFFFAOYSA-N -1 0 234.280 2.609 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000083317474 387402453 /nfs/dbraw/zinc/40/24/53/387402453.db2.gz VWUABZLEGQFYQH-RYUDHWBXSA-N -1 0 232.279 2.679 50 0 BFAARM O=C([O-])/C=C\c1ccccc1C(F)(F)F ZINC000031302610 387547320 /nfs/dbraw/zinc/54/73/20/387547320.db2.gz AMVYAIXPAGBXOM-WAYWQWQTSA-N -1 0 216.158 2.803 50 0 BFAARM Cc1cc(C)cc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000002574474 177894122 /nfs/dbraw/zinc/89/41/22/177894122.db2.gz UULJYEIVQURUSE-STQMWFEESA-N -1 0 246.306 2.987 50 0 BFAARM O=C([O-])[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Cl)Cl ZINC000242547721 387937412 /nfs/dbraw/zinc/93/74/12/387937412.db2.gz KTMXBVDXHDBMDV-MTSMAUNKSA-N -1 0 249.137 2.927 50 0 BFAARM CCCCOCc1ccc(C(=O)[O-])cc1 ZINC000037093084 256517891 /nfs/dbraw/zinc/51/78/91/256517891.db2.gz FEPGKHZMVPLZTI-UHFFFAOYSA-N -1 0 208.257 2.702 50 0 BFAARM O=C([O-])C1=C(c2ccccc2)SCCS1 ZINC000040541988 388420459 /nfs/dbraw/zinc/42/04/59/388420459.db2.gz WMCHDIZNUBYDSR-UHFFFAOYSA-N -1 0 238.333 2.920 50 0 BFAARM 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/nfs/dbraw/zinc/75/71/36/342757136.db2.gz SSAOBKRLGFAMTI-ZETCQYMHSA-N -1 0 226.659 2.634 50 0 BFAARM CCOc1ccc(-n2c(C)n[n-]c2=S)cc1 ZINC000005823160 342770596 /nfs/dbraw/zinc/77/05/96/342770596.db2.gz RBZHKNYFTBNWNS-UHFFFAOYSA-N -1 0 235.312 2.637 50 0 BFAARM CC[C@H](Oc1cc(C)cc(C)c1)C(=O)[O-] ZINC000006048912 342773136 /nfs/dbraw/zinc/77/31/36/342773136.db2.gz CEMWDKOEAHBYQZ-NSHDSACASA-N -1 0 208.257 2.545 50 0 BFAARM O=C([O-])c1cnc(-c2ccccc2)s1 ZINC000006116819 342773715 /nfs/dbraw/zinc/77/37/15/342773715.db2.gz LCALUFNLWHYTKX-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(F)cc2)cn1 ZINC000008698453 342802163 /nfs/dbraw/zinc/80/21/63/342802163.db2.gz BVDMIKPXCXAARR-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM CCc1[nH]c2c(cccc2C(=O)[O-])c1C ZINC000006677317 342780896 /nfs/dbraw/zinc/78/08/96/342780896.db2.gz BEHNSUINOFNASC-UHFFFAOYSA-N -1 0 203.241 2.737 50 0 BFAARM O=C([O-])c1ccc(COc2ccccc2F)o1 ZINC000008380405 342798686 /nfs/dbraw/zinc/79/86/86/342798686.db2.gz BKCYPRWSYNQSTF-UHFFFAOYSA-N -1 0 236.198 2.696 50 0 BFAARM Cc1ccc2c(c1)nc(C)cc2C(=O)[O-] ZINC000009190776 342809293 /nfs/dbraw/zinc/80/92/93/342809293.db2.gz ICCQYBHJLONXFL-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM CCCC(=O)c1cn(CC(=O)[O-])c2ccccc12 ZINC000009192180 342809465 /nfs/dbraw/zinc/80/94/65/342809465.db2.gz MWJZDOGFNNCVNW-UHFFFAOYSA-N -1 0 245.278 2.709 50 0 BFAARM CC[C@@H](Oc1cc(C)ccc1C)C(=O)[O-] ZINC000008729627 342803689 /nfs/dbraw/zinc/80/36/89/342803689.db2.gz RLQFYNDCHSICJY-SNVBAGLBSA-N -1 0 208.257 2.545 50 0 BFAARM O=C([O-])[C@@H](Cc1ccco1)c1ccc(F)cc1 ZINC000011588744 342841792 /nfs/dbraw/zinc/84/17/92/342841792.db2.gz YANQZTBKCPDDFL-LBPRGKRZSA-N -1 0 234.226 2.830 50 0 BFAARM Cc1ccc([C@H](Cc2ccco2)C(=O)[O-])cc1 ZINC000011588873 342841826 /nfs/dbraw/zinc/84/18/26/342841826.db2.gz AYCXTNSWTGBGJR-ZDUSSCGKSA-N -1 0 230.263 2.999 50 0 BFAARM CC(C)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000011956992 342845078 /nfs/dbraw/zinc/84/50/78/342845078.db2.gz IGTSFDFHCYFQCS-SECBINFHSA-N -1 0 208.257 2.662 50 0 BFAARM O=C([O-])c1cc(C2CC2)nc2onc(C3CC3)c21 ZINC000012395091 342851101 /nfs/dbraw/zinc/85/11/01/342851101.db2.gz KRFAJRBTNJNHFD-UHFFFAOYSA-N -1 0 244.250 2.676 50 0 BFAARM Cc1ccc(C(F)(F)F)c(CC(=O)[O-])c1 ZINC000038529710 178456472 /nfs/dbraw/zinc/45/64/72/178456472.db2.gz UMEQVNCETMDPES-UHFFFAOYSA-N -1 0 218.174 2.641 50 0 BFAARM CC(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000013185605 342864875 /nfs/dbraw/zinc/86/48/75/342864875.db2.gz UQZGIAQVBMWVFR-UHFFFAOYSA-N -1 0 241.674 2.633 50 0 BFAARM O=C([O-])c1c2ccccc2ncc1C(F)(F)F ZINC000016159915 342907659 /nfs/dbraw/zinc/90/76/59/342907659.db2.gz WBOBVHAOJMZKLF-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])[C@@H]1CCc2sc(-c3ccccc3)nc21 ZINC000017192274 342922051 /nfs/dbraw/zinc/92/20/51/342922051.db2.gz AEAIEXCUUWOBJH-SECBINFHSA-N -1 0 245.303 2.925 50 0 BFAARM CSc1ccc(CCCC(=O)[O-])cc1 ZINC000071453269 259331879 /nfs/dbraw/zinc/33/18/79/259331879.db2.gz IFWFPNDGJSIBFG-UHFFFAOYSA-N -1 0 210.298 2.816 50 0 BFAARM Cc1nc(CCC(=O)[O-])oc1-c1ccccc1 ZINC000019388873 342947331 /nfs/dbraw/zinc/94/73/31/342947331.db2.gz VDQCGNBJGMCHAC-UHFFFAOYSA-N -1 0 231.251 2.667 50 0 BFAARM O=C([O-])c1ccnc(NC2CCCCC2)c1 ZINC000019844537 342959587 /nfs/dbraw/zinc/95/95/87/342959587.db2.gz KEWFMSFLBGLGAE-UHFFFAOYSA-N -1 0 220.272 2.524 50 0 BFAARM CCN(c1cc(C(=O)[O-])ccn1)C1CCCCC1 ZINC000019845008 342959904 /nfs/dbraw/zinc/95/99/04/342959904.db2.gz XQZGFZOIOZXNCM-UHFFFAOYSA-N -1 0 248.326 2.939 50 0 BFAARM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)[O-] ZINC000020526606 342989837 /nfs/dbraw/zinc/98/98/37/342989837.db2.gz YUJZBOIWYIYWLF-AAXQSMANSA-N -1 0 220.268 2.962 50 0 BFAARM CC(C)c1c(C(=O)[O-])cnn1Cc1ccccc1 ZINC000020563348 342990474 /nfs/dbraw/zinc/99/04/74/342990474.db2.gz BWJUAONMSYCAKF-UHFFFAOYSA-N -1 0 244.294 2.753 50 0 BFAARM O=C([O-])c1ccc(C2CCCCC2)cn1 ZINC000000501111 346910819 /nfs/dbraw/zinc/91/08/19/346910819.db2.gz LUNILJUTNGKCJL-UHFFFAOYSA-N -1 0 205.257 2.828 50 0 BFAARM O=C([O-])c1ccc2cc(Cl)ccc2n1 ZINC000020272701 342979296 /nfs/dbraw/zinc/97/92/96/342979296.db2.gz UKMWQYNJAVNCOZ-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1cc2ccccc2c(Cl)n1 ZINC000020283423 342980183 /nfs/dbraw/zinc/98/01/83/342980183.db2.gz OLWCTKFRPTUTGY-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM C[C@@](Cc1nc2ccccc2[nH]1)(C(=O)[O-])C1CC1 ZINC000020285219 342980480 /nfs/dbraw/zinc/98/04/80/342980480.db2.gz ZNQVCTBFPDXIKI-AWEZNQCLSA-N -1 0 244.294 2.606 50 0 BFAARM Cc1ccc(O)c(C(=O)N2CCCCCC2)c1 ZINC000012998435 343068289 /nfs/dbraw/zinc/06/82/89/343068289.db2.gz OQMVQKWJLOLVFS-UHFFFAOYSA-N -1 0 233.311 2.717 50 0 BFAARM O=C([O-])c1ccnc2cc(Cl)ccc21 ZINC000026475325 343105613 /nfs/dbraw/zinc/10/56/13/343105613.db2.gz TXYVRYRRTQYTHJ-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000031829288 343225418 /nfs/dbraw/zinc/22/54/18/343225418.db2.gz WQKBKSZJAIBOED-RKDXNWHRSA-N -1 0 241.084 2.637 50 0 BFAARM CC(C)(C(=O)[O-])c1ccccc1Br ZINC000033487189 343255154 /nfs/dbraw/zinc/25/51/54/343255154.db2.gz FLSGJYHPNFXLSS-UHFFFAOYSA-N -1 0 243.100 2.811 50 0 BFAARM [O-]c1csc2ccc(Br)cc12 ZINC000034482931 343272456 /nfs/dbraw/zinc/27/24/56/343272456.db2.gz JDNHIUBOBYGRDS-UHFFFAOYSA-N -1 0 229.098 2.738 50 0 BFAARM NC(=CC(=O)c1ccccc1[O-])c1ccccc1 ZINC000004955703 343273199 /nfs/dbraw/zinc/27/31/99/343273199.db2.gz JFOIJLJGDKBCFN-RAXLEYEMSA-N -1 0 239.274 2.575 50 0 BFAARM Cc1ccc(C)c2ncc(C(=O)[O-])cc12 ZINC000032099495 178509370 /nfs/dbraw/zinc/50/93/70/178509370.db2.gz MXKOVYWLTMCDMM-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM C[C@H](CSc1ccc(F)cc1)C(=O)[O-] ZINC000035756615 343304059 /nfs/dbraw/zinc/30/40/59/343304059.db2.gz IVJVOKXHGHSVSE-SSDOTTSWSA-N -1 0 214.261 2.639 50 0 BFAARM Nc1cc(-c2cccs2)ccc1C(=O)[O-] ZINC000036294175 343314408 /nfs/dbraw/zinc/31/44/08/343314408.db2.gz RWXQPMJFVHLSST-UHFFFAOYSA-N -1 0 219.265 2.696 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000037380722 343344281 /nfs/dbraw/zinc/34/42/81/343344281.db2.gz IYYOCNQIQCLRHF-BDAKNGLRSA-N -1 0 246.184 2.773 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000037380719 343344331 /nfs/dbraw/zinc/34/43/31/343344331.db2.gz IYYOCNQIQCLRHF-IUCAKERBSA-N -1 0 246.184 2.773 50 0 BFAARM O=C([O-])c1cccc(Oc2ccccc2)n1 ZINC000039423804 343390084 /nfs/dbraw/zinc/39/00/84/343390084.db2.gz OHIOMWFFIKFFDX-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM CC(C)(C(=O)[O-])c1ccc(F)cc1Cl ZINC000040447889 343403571 /nfs/dbraw/zinc/40/35/71/343403571.db2.gz YGKGQRMGKUXHTG-UHFFFAOYSA-N -1 0 216.639 2.841 50 0 BFAARM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)c1cccc(F)c1 ZINC000043879028 343486218 /nfs/dbraw/zinc/48/62/18/343486218.db2.gz YWYRHYHQPXIURO-WDEREUQCSA-N -1 0 236.242 2.509 50 0 BFAARM O=C([O-])c1sc2ncccc2c1-n1cccc1 ZINC000045795967 343534463 /nfs/dbraw/zinc/53/44/63/343534463.db2.gz YJRJSALGCBMANH-UHFFFAOYSA-N -1 0 244.275 2.785 50 0 BFAARM O=C([O-])c1cc(-c2ccc(F)cc2)ccn1 ZINC000047204936 343559309 /nfs/dbraw/zinc/55/93/09/343559309.db2.gz OIGZQCHOUATCFX-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000011801760 345019425 /nfs/dbraw/zinc/01/94/25/345019425.db2.gz MDDFONXEGJZDDG-UHFFFAOYSA-N -1 0 243.262 2.919 50 0 BFAARM Cc1n[n-]c(=S)n1-c1cccc(C)c1C ZINC000002544675 179000268 /nfs/dbraw/zinc/00/02/68/179000268.db2.gz GTAKZNPTPMSKQI-UHFFFAOYSA-N -1 0 219.313 2.855 50 0 BFAARM Cc1cccc(C(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000015441731 179004083 /nfs/dbraw/zinc/00/40/83/179004083.db2.gz PKXDEXNTZYEKAT-JTQLQIEISA-N -1 0 220.268 2.679 50 0 BFAARM Cc1cccc(Nc2ncccc2C(=O)[O-])c1 ZINC000001329540 179160981 /nfs/dbraw/zinc/16/09/81/179160981.db2.gz LAOBBPYZHNYIMM-UHFFFAOYSA-N -1 0 228.251 2.832 50 0 BFAARM Cc1cccc(OC(C)(C)C(=O)[O-])c1C ZINC000001459712 179161752 /nfs/dbraw/zinc/16/17/52/179161752.db2.gz BVMJEFFWDAOAAU-UHFFFAOYSA-N -1 0 208.257 2.545 50 0 BFAARM Cc1ccccc1C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000002574414 179253191 /nfs/dbraw/zinc/25/31/91/179253191.db2.gz JCFJOOWFROHYMP-NEPJUHHUSA-N -1 0 232.279 2.679 50 0 BFAARM O=C1CCc2c1c([O-])c(Cl)cc2Cl ZINC000000610412 348719154 /nfs/dbraw/zinc/71/91/54/348719154.db2.gz OLRTVYHSWQCNCR-UHFFFAOYSA-N -1 0 217.051 2.828 50 0 BFAARM Cc1csc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000009265992 179790663 /nfs/dbraw/zinc/79/06/63/179790663.db2.gz BUGIDDGFQCUIHQ-UHFFFAOYSA-N -1 0 234.280 2.893 50 0 BFAARM CCCc1nccn1Cc1cccc(C(=O)[O-])c1 ZINC000070535646 350017988 /nfs/dbraw/zinc/01/79/88/350017988.db2.gz OLNVHWFAPQJTON-UHFFFAOYSA-N -1 0 244.294 2.582 50 0 BFAARM Cc1nc(NCc2ccccc2)sc1C(=O)[O-] ZINC000000873575 180020753 /nfs/dbraw/zinc/02/07/53/180020753.db2.gz CZHJAIHKSZKTAU-UHFFFAOYSA-N -1 0 248.307 2.762 50 0 BFAARM Cc1nc2ccccc2c(S[C@H](C)C(=O)[O-])n1 ZINC000004536983 180033858 /nfs/dbraw/zinc/03/38/58/180033858.db2.gz DYXBKEBSWWCVBF-SSDOTTSWSA-N -1 0 248.307 2.503 50 0 BFAARM Cc1nc2c(-c3ccccc3)c[n-]n2c(=O)c1C ZINC000100381862 180059552 /nfs/dbraw/zinc/05/95/52/180059552.db2.gz DDBBZSDOHARQTE-UHFFFAOYSA-N -1 0 239.278 2.719 50 0 BFAARM Cc1nc2cc(SCC(=O)[O-])ccc2s1 ZINC000004614936 180083576 /nfs/dbraw/zinc/08/35/76/180083576.db2.gz SJPDSCWNNWINPA-UHFFFAOYSA-N -1 0 239.321 2.781 50 0 BFAARM CCCCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000007260906 168625795 /nfs/dbraw/zinc/62/57/95/168625795.db2.gz SBQFPXHBAJDVLV-UHFFFAOYSA-N -1 0 221.256 2.514 50 0 BFAARM Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)[O-] ZINC000002388731 180329597 /nfs/dbraw/zinc/32/95/97/180329597.db2.gz KORDNSZOFTZOCA-CMDGGOBGSA-N -1 0 242.278 2.587 50 0 BFAARM Cc1noc(C)c1Cc1ccc(C(=O)[O-])cc1 ZINC000034925318 180475660 /nfs/dbraw/zinc/47/56/60/180475660.db2.gz HUPJFTAYFSKRHZ-UHFFFAOYSA-N -1 0 231.251 2.580 50 0 BFAARM Cc1occc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000002872990 180539472 /nfs/dbraw/zinc/53/94/72/180539472.db2.gz MDRZZFBPVFJTIQ-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM Cc1sc(NC(=O)C(C)C)c(C(=O)[O-])c1C ZINC000000227460 180558116 /nfs/dbraw/zinc/55/81/16/180558116.db2.gz ZERSOEDAIIYKFS-UHFFFAOYSA-N -1 0 241.312 2.658 50 0 BFAARM Cn1c(C(=O)[O-])cc2cc(Cl)ccc21 ZINC000000523721 180614832 /nfs/dbraw/zinc/61/48/32/180614832.db2.gz UTJVSPKRDDKHND-UHFFFAOYSA-N -1 0 209.632 2.530 50 0 BFAARM Cc1[nH]c2ccccc2c1Cc1n[n-]c(=S)o1 ZINC000003646712 352330005 /nfs/dbraw/zinc/33/00/05/352330005.db2.gz HTEBYTULZRXRBO-UHFFFAOYSA-N -1 0 245.307 2.739 50 0 BFAARM O=C([O-])CCc1ccc(C(F)F)cc1 ZINC000124617436 323944165 /nfs/dbraw/zinc/94/41/65/323944165.db2.gz LVXZDAFJMMWJLD-UHFFFAOYSA-N -1 0 200.184 2.641 50 0 BFAARM CC(C)(C)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000118228 188098471 /nfs/dbraw/zinc/09/84/71/188098471.db2.gz KLLUTQBIYDOURL-CMDGGOBGSA-N -1 0 247.294 2.563 50 0 BFAARM C/C(=C/c1c[nH]c2ccccc12)C(=O)[O-] ZINC000000336952 188099440 /nfs/dbraw/zinc/09/94/40/188099440.db2.gz MQUKDCDDXFKISK-VURMDHGXSA-N -1 0 201.225 2.656 50 0 BFAARM Cc1cc(C(=O)[O-])n(-c2ccc(Cl)cc2)n1 ZINC000000732357 188100206 /nfs/dbraw/zinc/10/02/06/188100206.db2.gz MHQHJXWLBIAZGU-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM CSc1ccc(Br)cc1C(=O)[O-] ZINC000002584154 188100696 /nfs/dbraw/zinc/10/06/96/188100696.db2.gz JRDNZLIFVSCBHM-UHFFFAOYSA-N -1 0 247.113 2.869 50 0 BFAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1 ZINC000003198707 188100849 /nfs/dbraw/zinc/10/08/49/188100849.db2.gz WSFDYGFIDOFAPC-UHFFFAOYSA-N -1 0 235.283 2.516 50 0 BFAARM CC(C)(C)Cc1ccc([S@](=O)[O-])cc1 ZINC000012416488 188105069 /nfs/dbraw/zinc/10/50/69/188105069.db2.gz VBYRJGVGPYBZPS-UHFFFAOYSA-N -1 0 212.314 2.856 50 0 BFAARM C[C@H](CC(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000002539849 353476033 /nfs/dbraw/zinc/47/60/33/353476033.db2.gz LTEAZNXORJPLBP-SSDOTTSWSA-N -1 0 226.659 2.634 50 0 BFAARM Cc1cccc(C(C)C)c1NC(=O)CCC(=O)[O-] ZINC000008025047 188459280 /nfs/dbraw/zinc/45/92/80/188459280.db2.gz GRCUSKVECIIUGY-UHFFFAOYSA-N -1 0 249.310 2.922 50 0 BFAARM CCCCC(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000013433083 355873260 /nfs/dbraw/zinc/87/32/60/355873260.db2.gz VLYUGUVEQGQOPH-UHFFFAOYSA-N -1 0 235.283 2.822 50 0 BFAARM O=C([O-])c1cc([N+](=O)[O-])ccc1-c1ccccc1 ZINC000006116753 355883586 /nfs/dbraw/zinc/88/35/86/355883586.db2.gz FNHCGDVQGIEGRQ-UHFFFAOYSA-N -1 0 243.218 2.960 50 0 BFAARM CCCc1onc(-c2ccco2)c1C(=O)[O-] ZINC000675058204 538481478 /nfs/dbraw/zinc/48/14/78/538481478.db2.gz XTPMCQMKAADPAU-UHFFFAOYSA-N -1 0 221.212 2.585 50 0 BFAARM Cc1ccc([S@](=O)[O-])cc1C(F)(F)F ZINC000675060028 538485005 /nfs/dbraw/zinc/48/50/05/538485005.db2.gz QMGLBRUQXFITAX-UHFFFAOYSA-N -1 0 224.203 2.594 50 0 BFAARM COc1cc(F)cc(-c2ccc(C(=O)[O-])o2)c1 ZINC000312424296 538553803 /nfs/dbraw/zinc/55/38/03/538553803.db2.gz QDYRPEDVXDVLMO-UHFFFAOYSA-N -1 0 236.198 2.793 50 0 BFAARM C[C@H](NC(=O)c1ccc(O)cc1F)C(C)(C)C ZINC000095993661 538613328 /nfs/dbraw/zinc/61/33/28/538613328.db2.gz CDLIMZMAPIOZTM-QMMMGPOBSA-N -1 0 239.290 2.696 50 0 BFAARM Cc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl ZINC000002165012 358151565 /nfs/dbraw/zinc/15/15/65/358151565.db2.gz BKFMTSFTLSYCKS-UHFFFAOYSA-N -1 0 241.095 2.549 50 0 BFAARM CCCCCc1cc(O)cc(O)c1C(=O)[O-] ZINC000013339595 358433053 /nfs/dbraw/zinc/43/30/53/358433053.db2.gz SXFKFRRXJUJGSS-UHFFFAOYSA-N -1 0 224.256 2.529 50 0 in-vitro BFAARM CCOc1cc(/C=C\C(=O)[O-])cc(Cl)c1O ZINC000006489280 359477736 /nfs/dbraw/zinc/47/77/36/359477736.db2.gz HFFUHTSAEWCRBF-ARJAWSKDSA-N -1 0 242.658 2.542 50 0 BFAARM O=[P@]([O-])(Cc1ccccc1)c1ccccc1 ZINC000000235164 541328605 /nfs/dbraw/zinc/32/86/05/541328605.db2.gz AQEDXENLOISWCY-UHFFFAOYSA-N -1 0 232.219 2.783 50 0 BFAARM C[Si](C)(C)c1cccc(Cl)c1C(=O)[O-] ZINC000196233487 368396592 /nfs/dbraw/zinc/39/65/92/368396592.db2.gz RCGMVADEWKAPLG-UHFFFAOYSA-N -1 0 228.751 2.583 50 0 BFAARM CCN(/C=C/C(=O)c1ccc(F)cc1[O-])CC ZINC000044672065 368377399 /nfs/dbraw/zinc/37/73/99/368377399.db2.gz XRYNSJASQNNEIG-BQYQJAHWSA-N -1 0 237.274 2.570 50 0 BFAARM S=c1[n-]nc(-c2ccc[nH]2)n1-c1ccccc1 ZINC000147440006 368394855 /nfs/dbraw/zinc/39/48/55/368394855.db2.gz CNGGAFPKLQKUKS-UHFFFAOYSA-N -1 0 242.307 2.925 50 0 BFAARM Nc1cc(-c2ccsc2)ccc1C(=O)[O-] ZINC000036294178 181674680 /nfs/dbraw/zinc/67/46/80/181674680.db2.gz DEROVNREILSZBL-UHFFFAOYSA-N -1 0 219.265 2.696 50 0 BFAARM O=C([O-])/C=C\c1cccc(C(F)(F)F)c1F ZINC000033364685 182414933 /nfs/dbraw/zinc/41/49/33/182414933.db2.gz COMXMQQELIPMID-PLNGDYQASA-N -1 0 234.148 2.942 50 0 BFAARM O=C([O-])C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000022219569 182416474 /nfs/dbraw/zinc/41/64/74/182416474.db2.gz YLSFJNHIOYAOHZ-UHFFFAOYSA-N -1 0 240.258 2.550 50 0 BFAARM O=C([O-])CCCOc1ccc2c(c1)CCCC2 ZINC000042417447 182440390 /nfs/dbraw/zinc/44/03/90/182440390.db2.gz MRGURMJFPGFOHI-UHFFFAOYSA-N -1 0 234.295 2.809 50 0 BFAARM O=C([O-])CCC(=O)c1cc(F)c(F)cc1Cl ZINC000043214181 182434978 /nfs/dbraw/zinc/43/49/78/182434978.db2.gz JKYDAZSXKZCZNM-UHFFFAOYSA-N -1 0 248.612 2.666 50 0 BFAARM O=C([O-])CCCc1ncc(-c2ccccc2)o1 ZINC000032627609 182443450 /nfs/dbraw/zinc/44/34/50/182443450.db2.gz LGYLNERWPKVLBR-UHFFFAOYSA-N -1 0 231.251 2.749 50 0 BFAARM O=C([O-])C[C@@H]1CCC[C@H](c2ccccc2)C1=O ZINC000000276948 182479440 /nfs/dbraw/zinc/47/94/40/182479440.db2.gz WTBDYAFOVHATCN-NWDGAFQWSA-N -1 0 232.279 2.614 50 0 biogenic BFAARM O=C([O-])C[C@H](c1ccsc1)n1cccc1 ZINC000003883948 182484373 /nfs/dbraw/zinc/48/43/73/182484373.db2.gz DUPNBMRWTIBTOA-SNVBAGLBSA-N -1 0 221.281 2.614 50 0 BFAARM O=C([O-])Cc1csc(-c2cccc(F)c2)n1 ZINC000003457154 182493346 /nfs/dbraw/zinc/49/33/46/182493346.db2.gz UCYWUSDJNCOTDP-UHFFFAOYSA-N -1 0 237.255 2.576 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000037380700 182545812 /nfs/dbraw/zinc/54/58/12/182545812.db2.gz URRRSJNYUQVDCI-SFYZADRCSA-N -1 0 246.184 2.773 50 0 BFAARM O=C([O-])c1ccc(N2CCCCCC2)cc1 ZINC000000139627 182568128 /nfs/dbraw/zinc/56/81/28/182568128.db2.gz SBOQUUYPWQTHCF-UHFFFAOYSA-N -1 0 219.284 2.765 50 0 BFAARM O=C([O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000001037162 182572400 /nfs/dbraw/zinc/57/24/00/182572400.db2.gz IBIDFEWDKNJSRD-UHFFFAOYSA-N -1 0 210.232 2.956 50 0 BFAARM O=C([O-])c1ccc(-c2cccc(CO)c2)cc1 ZINC000016947578 182562779 /nfs/dbraw/zinc/56/27/79/182562779.db2.gz HPXYVZSLBXTFMD-UHFFFAOYSA-N -1 0 228.247 2.544 50 0 BFAARM O=C([O-])c1ccnc(-c2ccsc2)c1 ZINC000034924631 182585349 /nfs/dbraw/zinc/58/53/49/182585349.db2.gz BOZGVVVDIQBTDY-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])c1ccccc1-c1ccc2c(c1)OCO2 ZINC000002581015 182580432 /nfs/dbraw/zinc/58/04/32/182580432.db2.gz PEOCCFXRLGYKBM-UHFFFAOYSA-N -1 0 242.230 2.781 50 0 BFAARM O=C([O-])c1csc(-c2c(F)cccc2F)n1 ZINC000011760894 182593700 /nfs/dbraw/zinc/59/37/00/182593700.db2.gz OTYUISIBOBUOEO-UHFFFAOYSA-N -1 0 241.218 2.787 50 0 BFAARM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2)s1 ZINC000004312915 182864511 /nfs/dbraw/zinc/86/45/11/182864511.db2.gz NRGPPHJDPPKYKN-UHFFFAOYSA-N -1 0 232.260 2.926 50 0 BFAARM O=[S@@]([O-])c1cc(Cl)cc(Cl)c1 ZINC000034288527 182964981 /nfs/dbraw/zinc/96/49/81/182964981.db2.gz OGWMITSZMVMRSD-UHFFFAOYSA-N -1 0 211.069 2.574 50 0 BFAARM [O-]c1ccc(C(F)(F)F)nc1Br ZINC000047218619 183266786 /nfs/dbraw/zinc/26/67/86/183266786.db2.gz HMOAJSVNWQZSAL-UHFFFAOYSA-N -1 0 241.994 2.569 50 0 BFAARM [O-]c1cc(Br)cc(F)c1Cl ZINC000096024912 183256879 /nfs/dbraw/zinc/25/68/79/183256879.db2.gz CKVCTSFPTBXLMX-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM CCCOc1c(/C=C/C(=O)[O-])cccc1OC ZINC000002404262 169312982 /nfs/dbraw/zinc/31/29/82/169312982.db2.gz KPSQXFCUDMQQNG-BQYQJAHWSA-N -1 0 236.267 2.582 50 0 BFAARM CCCOc1ccc(C(=O)[O-])cc1OCCC ZINC000003327230 169316879 /nfs/dbraw/zinc/31/68/79/169316879.db2.gz KVGLIDHZBWTUQL-UHFFFAOYSA-N -1 0 238.283 2.962 50 0 BFAARM CCCn1c(C)cc(/C=C/C(=O)[O-])c1C ZINC000003415948 169612382 /nfs/dbraw/zinc/61/23/82/169612382.db2.gz RVUQJFGITSAJDF-AATRIKPKSA-N -1 0 207.273 2.613 50 0 BFAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)o1 ZINC000000090815 383823082 /nfs/dbraw/zinc/82/30/82/383823082.db2.gz SSPRMENQOZXMAD-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM O=C([O-])C1(c2ccccc2F)CCCC1 ZINC000000155783 383836799 /nfs/dbraw/zinc/83/67/99/383836799.db2.gz AXWFKNJZMNAYGJ-UHFFFAOYSA-N -1 0 208.232 2.722 50 0 BFAARM O=C([O-])CCC(=O)c1cccc2ccccc21 ZINC000000236510 383845139 /nfs/dbraw/zinc/84/51/39/383845139.db2.gz YNEXYDHOGAIPHO-UHFFFAOYSA-N -1 0 228.247 2.887 50 0 in-vitro BFAARM CC1(C)C[C@](CC(=O)[O-])(c2ccccc2)CCO1 ZINC000000210028 383846031 /nfs/dbraw/zinc/84/60/31/383846031.db2.gz VOWBSUAXGNNDGB-HNNXBMFYSA-N -1 0 248.322 2.988 50 0 biogenic BFAARM Cc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000000337640 383856244 /nfs/dbraw/zinc/85/62/44/383856244.db2.gz NYJHTTLXERQUIV-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])CSc1ccc(F)cc1Cl ZINC000000131938 383829757 /nfs/dbraw/zinc/82/97/57/383829757.db2.gz VMCXMJQJLXZIIJ-UHFFFAOYSA-N -1 0 220.652 2.656 50 0 BFAARM O=C([O-])Cn1c2ccccc2sc1=S ZINC000000124109 383831401 /nfs/dbraw/zinc/83/14/01/383831401.db2.gz GFQJZSIWWOBJKT-UHFFFAOYSA-N -1 0 225.294 2.517 50 0 BFAARM O=C([O-])Cc1ccccc1-c1ccccc1 ZINC000001632980 383914650 /nfs/dbraw/zinc/91/46/50/383914650.db2.gz YWPABLWXCWUIIT-UHFFFAOYSA-N -1 0 212.248 2.981 50 0 BFAARM O=C([O-])Cc1cc(Cl)ccc1Cl ZINC000001666562 383918741 /nfs/dbraw/zinc/91/87/41/383918741.db2.gz GWTUGCOXTFFBMM-UHFFFAOYSA-N -1 0 205.040 2.621 50 0 BFAARM O=C([O-])CCc1ccc2ccccc2c1 ZINC000001675915 383921530 /nfs/dbraw/zinc/92/15/30/383921530.db2.gz IZOYTDIICIICBE-UHFFFAOYSA-N -1 0 200.237 2.857 50 0 BFAARM Cc1ccc(SCCCC(=O)[O-])cc1 ZINC000001714513 383927985 /nfs/dbraw/zinc/92/79/85/383927985.db2.gz HGFAYEMEDMUNOS-UHFFFAOYSA-N -1 0 210.298 2.952 50 0 BFAARM CC(C)C(=O)CCCCCCC(=O)[O-] ZINC000002579877 383977854 /nfs/dbraw/zinc/97/78/54/383977854.db2.gz CUPHLIGZDNGANZ-UHFFFAOYSA-N -1 0 200.278 2.637 50 0 BFAARM O=C([O-])CSCc1cccc(Cl)c1 ZINC000002651907 383980866 /nfs/dbraw/zinc/98/08/66/383980866.db2.gz GYICVPMYXZNAHY-UHFFFAOYSA-N -1 0 216.689 2.658 50 0 BFAARM Cc1[nH]c2cc(C)cc(C)c2c1CC(=O)[O-] ZINC000001848248 383938320 /nfs/dbraw/zinc/93/83/20/383938320.db2.gz MZVKWYHEJPCSMR-UHFFFAOYSA-N -1 0 217.268 2.720 50 0 BFAARM Cc1c(C)c(C(=O)[O-])ccc1Br ZINC000067802588 383948576 /nfs/dbraw/zinc/94/85/76/383948576.db2.gz SAQVKZFNOGPPCH-UHFFFAOYSA-N -1 0 229.073 2.764 50 0 BFAARM O=C([O-])CCCCC(=O)c1ccc(F)cc1 ZINC000002242949 383956144 /nfs/dbraw/zinc/95/61/44/383956144.db2.gz BCUYYQNETZAUOP-UHFFFAOYSA-N -1 0 224.231 2.653 50 0 BFAARM O=C([O-])CCc1cccc(OC(F)(F)F)c1 ZINC000002244170 383956795 /nfs/dbraw/zinc/95/67/95/383956795.db2.gz WGEVFUNNEITJFQ-UHFFFAOYSA-N -1 0 234.173 2.602 50 0 BFAARM CC(C)(CC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000002378756 383958334 /nfs/dbraw/zinc/95/83/34/383958334.db2.gz GKIZHWDWGZZCIU-UHFFFAOYSA-N -1 0 242.221 2.648 50 0 BFAARM O=C([O-])/C=C/c1c(F)ccc(F)c1Cl ZINC000002382120 383959740 /nfs/dbraw/zinc/95/97/40/383959740.db2.gz IHWVLAUNJHXFGN-DAFODLJHSA-N -1 0 218.586 2.716 50 0 BFAARM CO[C@@](C)(C(=O)[O-])c1cccc2ccccc21 ZINC000002506661 383966553 /nfs/dbraw/zinc/96/65/53/383966553.db2.gz YVWMPILNFZOQSZ-CQSZACIVSA-N -1 0 230.263 2.786 50 0 BFAARM O=C([O-])Cc1csc(-c2ccc(F)cc2)n1 ZINC000003457159 384012748 /nfs/dbraw/zinc/01/27/48/384012748.db2.gz QOJQFOYPWWTPCA-UHFFFAOYSA-N -1 0 237.255 2.576 50 0 BFAARM O=C([O-])CCc1cc(C(F)(F)F)ccc1F ZINC000038529599 384085968 /nfs/dbraw/zinc/08/59/68/384085968.db2.gz AGDPEKNRXANVOW-UHFFFAOYSA-N -1 0 236.164 2.862 50 0 BFAARM O=C([O-])CCc1cccc(C(F)(F)F)c1F ZINC000038529596 384087015 /nfs/dbraw/zinc/08/70/15/384087015.db2.gz BECBKFBRQWIGIE-UHFFFAOYSA-N -1 0 236.164 2.862 50 0 BFAARM O=C([O-])CCc1csc2ccccc12 ZINC000039206633 384107969 /nfs/dbraw/zinc/10/79/69/384107969.db2.gz GTCFFWIYYOTHRS-UHFFFAOYSA-N -1 0 206.266 2.919 50 0 BFAARM CCOc1c(Cl)ccc(C(=O)[O-])c1F ZINC000091252030 384112989 /nfs/dbraw/zinc/11/29/89/384112989.db2.gz AMAJHTMBCOHVIL-UHFFFAOYSA-N -1 0 218.611 2.576 50 0 BFAARM O=C([O-])CC1(c2ccccc2)CCCC1 ZINC000041212658 384182042 /nfs/dbraw/zinc/18/20/42/384182042.db2.gz HQLHNHOWMVAWQK-UHFFFAOYSA-N -1 0 204.269 2.973 50 0 BFAARM O=C([O-])CCC(=O)c1ccc(Cl)cc1F ZINC000043214159 384264240 /nfs/dbraw/zinc/26/42/40/384264240.db2.gz BPCGUSFPIKVQBX-UHFFFAOYSA-N -1 0 230.622 2.527 50 0 BFAARM Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc1C ZINC000043879208 384305915 /nfs/dbraw/zinc/30/59/15/384305915.db2.gz UPTWQRAGCGYSIG-CHWSQXEVSA-N -1 0 246.306 2.987 50 0 BFAARM CCc1ccccc1C(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000043879177 384306218 /nfs/dbraw/zinc/30/62/18/384306218.db2.gz MYSXYDPFDGUBOD-CHWSQXEVSA-N -1 0 246.306 2.933 50 0 BFAARM O=C([O-])/C=C\c1cccc(C(F)(F)F)c1 ZINC000012370922 384316043 /nfs/dbraw/zinc/31/60/43/384316043.db2.gz KSBWHDDGWSYETA-PLNGDYQASA-N -1 0 216.158 2.803 50 0 BFAARM CC(C)(C)c1ccc([C@H]2CC(C(=O)[O-])=NO2)cc1 ZINC000012398337 384316385 /nfs/dbraw/zinc/31/63/85/384316385.db2.gz LLUPASSRPCMCLM-GFCCVEGCSA-N -1 0 247.294 2.886 50 0 BFAARM Cc1nc(-c2ccc(CC(=O)[O-])cc2)cs1 ZINC000011566703 384288676 /nfs/dbraw/zinc/28/86/76/384288676.db2.gz QYOVAVZUAMSCRH-UHFFFAOYSA-N -1 0 233.292 2.746 50 0 BFAARM Cc1ccc([C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000011628806 384293293 /nfs/dbraw/zinc/29/32/93/384293293.db2.gz FLZVLJWUNKKFGA-GFCCVEGCSA-N -1 0 204.269 2.963 50 0 BFAARM O=C([O-])Cc1ccc(COc2ccccc2)cc1 ZINC000011802098 384297406 /nfs/dbraw/zinc/29/74/06/384297406.db2.gz QBURWARFRCEQQA-UHFFFAOYSA-N -1 0 242.274 2.893 50 0 BFAARM O=C([O-])c1cccc2sc(Cl)nc21 ZINC000095100054 384365853 /nfs/dbraw/zinc/36/58/53/384365853.db2.gz CZKIDVYMBRVQBU-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM O=C([O-])Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC000044375842 384326672 /nfs/dbraw/zinc/32/66/72/384326672.db2.gz DMUKXNXYRHYNLA-UHFFFAOYSA-N -1 0 238.592 2.986 50 0 BFAARM O=C([O-])/C=C\c1cc(Br)ccc1F ZINC000004977473 384328286 /nfs/dbraw/zinc/32/82/86/384328286.db2.gz ROTBALNVXDGIQY-RJRFIUFISA-N -1 0 245.047 2.686 50 0 BFAARM O=C([O-])C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000095884098 384405892 /nfs/dbraw/zinc/40/58/92/384405892.db2.gz UHHHXFUMRLHTJJ-UHFFFAOYSA-N -1 0 248.175 2.961 50 0 BFAARM O=C([O-])Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000019723050 384534413 /nfs/dbraw/zinc/53/44/13/384534413.db2.gz MCSIVMBXRSMJAI-UHFFFAOYSA-N -1 0 237.642 2.622 50 0 BFAARM O=C([O-])C(=S)Cc1c[nH]c2ccc(F)cc12 ZINC000100026540 384610823 /nfs/dbraw/zinc/61/08/23/384610823.db2.gz HWMQHECFXSVZGN-KMKOMSMNSA-N -1 0 237.255 2.662 50 0 BFAARM CC/C(=C/C(=O)[O-])c1ccc(OC)cc1 ZINC000081963353 384642128 /nfs/dbraw/zinc/64/21/28/384642128.db2.gz PNGLWXCBVRIOPB-HJWRWDBZSA-N -1 0 206.241 2.573 50 0 BFAARM O=C([O-])c1csc(NC2CCCCC2)n1 ZINC000072221351 384825307 /nfs/dbraw/zinc/82/53/07/384825307.db2.gz KMVQBIKCTPSBCZ-UHFFFAOYSA-N -1 0 226.301 2.586 50 0 BFAARM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[O-] ZINC000096328865 384830180 /nfs/dbraw/zinc/83/01/80/384830180.db2.gz HHYUSUWCEGGVAG-CYBMUJFWSA-N -1 0 206.285 2.976 50 0 BFAARM O=C([O-])C1CC(c2ccc(Cl)cc2)C1 ZINC000059844071 385057830 /nfs/dbraw/zinc/05/78/30/385057830.db2.gz CSCPLLVXRGZRBL-UHFFFAOYSA-N -1 0 210.660 2.918 50 0 BFAARM Cc1ccc(C(C)C)c2oc(=O)cc([O-])c12 ZINC000199261459 385065005 /nfs/dbraw/zinc/06/50/05/385065005.db2.gz XKTQYDQSGSNEEO-UHFFFAOYSA-N -1 0 218.252 2.930 50 0 BFAARM O=C([O-])c1ccc(OCC2CC2)cc1Cl ZINC000061848584 385140831 /nfs/dbraw/zinc/14/08/31/385140831.db2.gz FASUFPFYKBHCRC-UHFFFAOYSA-N -1 0 226.659 2.827 50 0 BFAARM COc1cc(-c2cncc(C(=O)[O-])c2)ccc1F ZINC000065347970 385301605 /nfs/dbraw/zinc/30/16/05/385301605.db2.gz KZNJNHUFTLNHKB-UHFFFAOYSA-N -1 0 247.225 2.595 50 0 BFAARM O=C([O-])c1nc2ccccc2cc1Cl ZINC000167198819 385301951 /nfs/dbraw/zinc/30/19/51/385301951.db2.gz KFSYXJLUCGGLBK-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM Cc1cc(C)c2nccc(O[C@@H](C)C(=O)[O-])c2c1 ZINC000045928306 385948650 /nfs/dbraw/zinc/94/86/50/385948650.db2.gz GFAWBEOGVFTBGC-JTQLQIEISA-N -1 0 245.278 2.704 50 0 BFAARM C/C=C(\C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221725204 386017096 /nfs/dbraw/zinc/01/70/96/386017096.db2.gz PKAIIEPLCMILGL-KABABDOMSA-N -1 0 245.278 2.689 50 0 BFAARM O=C([O-])Cc1cc(F)cc(Cl)c1Cl ZINC000263625090 386159387 /nfs/dbraw/zinc/15/93/87/386159387.db2.gz WQTGSMBMSLBHOB-UHFFFAOYSA-N -1 0 223.030 2.760 50 0 BFAARM O=C([O-])C(=S)Cc1cccc(Cl)c1 ZINC000102314309 387305688 /nfs/dbraw/zinc/30/56/88/387305688.db2.gz JQJZOGBHOXUCIV-YVMONPNESA-N -1 0 214.673 2.695 50 0 BFAARM CC(F)(F)COc1cc(F)ccc1C(=O)[O-] ZINC000575444450 387431157 /nfs/dbraw/zinc/43/11/57/387431157.db2.gz ZHSGCBLKDXWMHZ-UHFFFAOYSA-N -1 0 234.173 2.558 50 0 BFAARM O=c1[n-]c(-c2ccccc2-c2ccccc2)n[nH]1 ZINC000426492820 387577446 /nfs/dbraw/zinc/57/74/46/387577446.db2.gz NUYDLLDBTLSTFI-UHFFFAOYSA-N -1 0 237.262 2.844 50 0 BFAARM O=C([O-])c1ccc(-c2cc(F)cc(F)c2)nc1 ZINC000065347600 388259430 /nfs/dbraw/zinc/25/94/30/388259430.db2.gz OOXNUWVIFIVLMY-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM C[C@@]12C=C(Br)[C@H]1CC[C@]2(C)C(=O)[O-] ZINC000238950392 388300339 /nfs/dbraw/zinc/30/03/39/388300339.db2.gz XVYWNXXKUFDIRD-BDODKLCJSA-N -1 0 245.116 2.786 50 0 biogenic BFAARM c1ccc(-c2n[n-]c(=NC3CCCCC3)o2)cc1 ZINC000521395775 256679230 /nfs/dbraw/zinc/67/92/30/256679230.db2.gz KFKBPCLPKHRJLS-UHFFFAOYSA-N -1 0 243.310 2.903 50 0 BFAARM Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)[O-] ZINC000000434896 397915718 /nfs/dbraw/zinc/91/57/18/397915718.db2.gz XKGHRGHYWNJOPA-UHFFFAOYSA-N -1 0 235.283 2.678 50 0 BFAARM CC(C)Oc1ccc(CCCC(=O)[O-])cc1 ZINC000020434888 167291549 /nfs/dbraw/zinc/29/15/49/167291549.db2.gz ZFSIMFWYLKSHRT-UHFFFAOYSA-N -1 0 222.284 2.881 50 0 BFAARM CC(C)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000039234488 167393537 /nfs/dbraw/zinc/39/35/37/167393537.db2.gz IIUOJSGKSMQGAQ-GFCCVEGCSA-N -1 0 206.285 2.976 50 0 BFAARM CC(C)c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000001459491 167611521 /nfs/dbraw/zinc/61/15/21/167611521.db2.gz JQGMFMWLOKZVBQ-SECBINFHSA-N -1 0 208.257 2.662 50 0 BFAARM CC1(C)CCC[C@@](C)(CCC(=O)[O-])C1=O ZINC000004829841 167911170 /nfs/dbraw/zinc/91/11/70/167911170.db2.gz POPXOCJIEWEAFW-LBPRGKRZSA-N -1 0 212.289 2.637 50 0 BFAARM CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000020375820 168198724 /nfs/dbraw/zinc/19/87/24/168198724.db2.gz HCOWJMBVCOCHFP-UHFFFAOYSA-N -1 0 210.660 2.892 50 0 BFAARM CCN(c1ccc(C(=O)[O-])cc1)C(C)C ZINC000057217582 169941491 /nfs/dbraw/zinc/94/14/91/169941491.db2.gz OFIZSJNBRIZWGJ-UHFFFAOYSA-N -1 0 207.273 2.620 50 0 BFAARM CCOC(=O)C=C([O-])c1ccc(C(C)C)cc1 ZINC000002575921 170197536 /nfs/dbraw/zinc/19/75/36/170197536.db2.gz FQZYAOSIMPAQNW-UHFFFAOYSA-N -1 0 234.295 2.946 50 0 BFAARM CCOC(=O)[N-]c1nc(=S)ss1 ZINC000003104596 170244006 /nfs/dbraw/zinc/24/40/06/170244006.db2.gz UEMCBOFMAWFDPF-UHFFFAOYSA-N -1 0 222.316 2.502 50 0 BFAARM CCOC(=O)C(=C([O-])c1ccccc1)C(C)C ZINC000001719207 170264039 /nfs/dbraw/zinc/26/40/39/170264039.db2.gz MYNNDDSZHBOSOL-LBPRGKRZSA-N -1 0 234.295 2.705 50 0 BFAARM CCOc1cc(C(=O)[O-])ccc1OC(C)C ZINC000001476181 170518050 /nfs/dbraw/zinc/51/80/50/170518050.db2.gz JFDSVALOUSIPSC-UHFFFAOYSA-N -1 0 224.256 2.571 50 0 biogenic BFAARM CC[C@@H](Sc1ncnc2ccccc21)C(=O)[O-] ZINC000001797238 170951459 /nfs/dbraw/zinc/95/14/59/170951459.db2.gz SXHQGWDCCOYODE-SNVBAGLBSA-N -1 0 248.307 2.585 50 0 BFAARM COc1ccc(-c2ccc(CCC(=O)[O-])[nH]2)cc1 ZINC000000056277 175032872 /nfs/dbraw/zinc/03/28/72/175032872.db2.gz TWZMVQARIIRSDZ-UHFFFAOYSA-N -1 0 245.278 2.708 50 0 BFAARM COc1ccc(-c2oc(C)cc2C(=O)[O-])cc1 ZINC000075423095 175043541 /nfs/dbraw/zinc/04/35/41/175043541.db2.gz DIDUZIXEBMNUSD-UHFFFAOYSA-N -1 0 232.235 2.962 50 0 BFAARM COc1ccc(C(F)(F)F)cc1/C=C/C(=O)[O-] ZINC000038529998 175070264 /nfs/dbraw/zinc/07/02/64/175070264.db2.gz FAXJHQWJVWEASH-GORDUTHDSA-N -1 0 246.184 2.812 50 0 BFAARM COc1ccc(Cl)c2ccc(C(=O)[O-])nc12 ZINC000062618437 175118939 /nfs/dbraw/zinc/11/89/39/175118939.db2.gz KVJOHCHVIMAQNB-UHFFFAOYSA-N -1 0 237.642 2.595 50 0 BFAARM COc1ccc([C@H](CC(=O)[O-])C(C)C)cc1 ZINC000004043924 175190618 /nfs/dbraw/zinc/19/06/18/175190618.db2.gz IJYNCBAHVKZWIQ-GFCCVEGCSA-N -1 0 222.284 2.910 50 0 biogenic BFAARM COc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000000081576 175218032 /nfs/dbraw/zinc/21/80/32/175218032.db2.gz RJZHKBSIYHHOMB-UHFFFAOYSA-N -1 0 245.278 2.991 50 0 BFAARM COc1ccc2cc(CCC(=O)[O-])ccc2c1 ZINC000019483042 175224968 /nfs/dbraw/zinc/22/49/68/175224968.db2.gz VTLOAKUQUADSND-UHFFFAOYSA-N -1 0 230.263 2.866 50 0 BFAARM COc1ccc2ccccc2c1CCC(=O)[O-] ZINC000008019546 175225548 /nfs/dbraw/zinc/22/55/48/175225548.db2.gz AUVKOEHVYGYIKP-UHFFFAOYSA-N -1 0 230.263 2.866 50 0 BFAARM COc1cccc(C(=O)CCCCC(=O)[O-])c1 ZINC000043212885 175242500 /nfs/dbraw/zinc/24/25/00/175242500.db2.gz FIPMUXZDIZTVMD-UHFFFAOYSA-N -1 0 236.267 2.523 50 0 BFAARM COc1ccccc1-c1ccccc1CC(=O)[O-] ZINC000002581002 175309824 /nfs/dbraw/zinc/30/98/24/175309824.db2.gz JRXHBMKIJWVBBN-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM COc1ccccc1-c1nc(C(=O)[O-])cs1 ZINC000034613480 175311146 /nfs/dbraw/zinc/31/11/46/175311146.db2.gz CUVKRPUNVDDPKG-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM C[C@H](Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000003886817 177029049 /nfs/dbraw/zinc/02/90/49/177029049.db2.gz NKBXBKKXOZFZPI-LURJTMIESA-N -1 0 216.689 2.905 50 0 BFAARM C[C@H](Sc1ccccc1Cl)C(=O)[O-] ZINC000011863848 177029309 /nfs/dbraw/zinc/02/93/09/177029309.db2.gz IEIAJSOBRQNLOX-LURJTMIESA-N -1 0 216.689 2.905 50 0 BFAARM Cc1[nH]c2c(cccc2Cl)c1CC(=O)[O-] ZINC000003748621 177509607 /nfs/dbraw/zinc/50/96/07/177509607.db2.gz OAQUVRVTNMDKGG-UHFFFAOYSA-N -1 0 223.659 2.757 50 0 BFAARM Cc1[nH]c2ccccc2c1SCC(=O)[O-] ZINC000018152684 177514344 /nfs/dbraw/zinc/51/43/44/177514344.db2.gz INQCWEIRWMEEHN-UHFFFAOYSA-N -1 0 221.281 2.653 50 0 BFAARM Cc1c(C(=O)[O-])cccc1-c1ccc(C=O)o1 ZINC000000308824 177571093 /nfs/dbraw/zinc/57/10/93/177571093.db2.gz ABNPGQRDALSXCP-UHFFFAOYSA-N -1 0 230.219 2.766 50 0 BFAARM O=C([O-])c1ccc(-c2ccnc3[nH]ccc32)o1 ZINC000534645959 323156820 /nfs/dbraw/zinc/15/68/20/323156820.db2.gz ZCKKMKHDAKBMPU-UHFFFAOYSA-N -1 0 228.207 2.521 50 0 BFAARM CCc1cc(-c2ccccc2C(=O)[O-])nc(C)n1 ZINC000534667052 323158604 /nfs/dbraw/zinc/15/86/04/323158604.db2.gz FFYYNQPTDDLLNM-UHFFFAOYSA-N -1 0 242.278 2.713 50 0 BFAARM CC(C)(C)OC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000408525998 534726290 /nfs/dbraw/zinc/72/62/90/534726290.db2.gz RJSLYLOJHRCPMC-UHFFFAOYSA-N -1 0 242.315 2.753 50 0 BFAARM Cc1ccccc1OCc1ccc(C(=O)[O-])o1 ZINC000002521388 525315116 /nfs/dbraw/zinc/31/51/16/525315116.db2.gz SXEJLPSZJYZFAO-UHFFFAOYSA-N -1 0 232.235 2.865 50 0 BFAARM CC(C)C(=O)C=C([O-])c1cccc(F)c1 ZINC000070953003 566272993 /nfs/dbraw/zinc/27/29/93/566272993.db2.gz NFUGBGMMRBXNGR-UHFFFAOYSA-N -1 0 208.232 2.624 50 0 BFAARM CC(C)C(=O)C=C([O-])c1ccccc1F ZINC000070953006 566272725 /nfs/dbraw/zinc/27/27/25/566272725.db2.gz QZVZTTXSCRMMNH-UHFFFAOYSA-N -1 0 208.232 2.624 50 0 BFAARM O=Cc1cc(F)ccc1-c1ccc(C(=O)[O-])o1 ZINC000725261038 566307971 /nfs/dbraw/zinc/30/79/71/566307971.db2.gz IABCQJDOFDSGQC-UHFFFAOYSA-N -1 0 234.182 2.596 50 0 BFAARM CCC(=O)C=C([O-])c1ccc(CC)cc1 ZINC000101836743 582458167 /nfs/dbraw/zinc/45/81/67/582458167.db2.gz PNQKTOXEVAAANC-UHFFFAOYSA-N -1 0 204.269 2.801 50 0 BFAARM O=C([O-])/C=C1\CCC[C@H](C(F)(F)F)C1 ZINC000212666018 591422412 /nfs/dbraw/zinc/42/24/12/591422412.db2.gz IHTSSULWRABKPS-XPPMVYLVSA-N -1 0 208.179 2.750 50 0 BFAARM Cc1ccc(OCCC(=O)[O-])c(Cl)c1 ZINC000054348376 636448509 /nfs/dbraw/zinc/44/85/09/636448509.db2.gz MHEOBKMCTUBBIX-UHFFFAOYSA-N -1 0 214.648 2.502 50 0 BFAARM Nc1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000149867006 963190569 /nfs/dbraw/zinc/19/05/69/963190569.db2.gz CQJWNOOSJYYEBE-UHFFFAOYSA-N -1 0 219.265 2.696 50 0 BFAARM COc1cccnc1-c1ccc(C(=O)[O-])s1 ZINC000200538747 970121954 /nfs/dbraw/zinc/12/19/54/970121954.db2.gz LLROOGNVGFJAMS-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM Cc1ccccc1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000002574402 978600945 /nfs/dbraw/zinc/60/09/45/978600945.db2.gz SEMXCWRNKUCYJO-MNOVXSKESA-N -1 0 232.279 2.679 50 0 BFAARM COc1ccc(C(=O)[O-])nc1-c1cccc(C)c1 ZINC001506419607 988778215 /nfs/dbraw/zinc/77/82/15/988778215.db2.gz TWTMOBMGVVPODE-UHFFFAOYSA-N -1 0 243.262 2.764 50 0 BFAARM Cc1cc(C)nc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000000150076 177947031 /nfs/dbraw/zinc/94/70/31/177947031.db2.gz PYBQOOXFPKGJPP-UHFFFAOYSA-N -1 0 243.266 2.535 50 0 BFAARM Cc1cc2scc(CC(=O)[O-])c2s1 ZINC000075621814 398223676 /nfs/dbraw/zinc/22/36/76/398223676.db2.gz PLXUKOSONZDWIW-UHFFFAOYSA-N -1 0 212.295 2.898 50 0 BFAARM Cc1cc(O)c(C=O)c(C)c1Br ZINC000040175360 178196161 /nfs/dbraw/zinc/19/61/61/178196161.db2.gz ORASDZXTDQUBJD-UHFFFAOYSA-N -1 0 229.073 2.584 50 0 BFAARM Cc1cc(SCC(=O)[O-])nc2ccccc12 ZINC000000206802 178218420 /nfs/dbraw/zinc/21/84/20/178218420.db2.gz LYRXFOXCAABCMR-UHFFFAOYSA-N -1 0 233.292 2.720 50 0 BFAARM O=[S@@]([O-])c1ccc(C(F)(F)F)cc1Cl ZINC000164637107 538933657 /nfs/dbraw/zinc/93/36/57/538933657.db2.gz ZVSKWKOAFCNDNN-UHFFFAOYSA-N -1 0 244.621 2.939 50 0 BFAARM Cc1ccc(-c2ccc(C=O)o2)cc1C(=O)[O-] ZINC000006033109 178324055 /nfs/dbraw/zinc/32/40/55/178324055.db2.gz HKNPVCQQDJXOGA-UHFFFAOYSA-N -1 0 230.219 2.766 50 0 BFAARM Cc1onc(-c2ccc(C)cc2)c1C(=O)[O-] ZINC000004992685 178342023 /nfs/dbraw/zinc/34/20/23/178342023.db2.gz IAGFERXYANTCJG-UHFFFAOYSA-N -1 0 217.224 2.657 50 0 BFAARM Cc1ccc(-c2csc3c2[n-]cnc3=O)cc1 ZINC000015829267 178330132 /nfs/dbraw/zinc/33/01/32/178330132.db2.gz JQPMYUUPCQANEQ-UHFFFAOYSA-N -1 0 242.303 2.960 50 0 BFAARM Cc1ccc(/C(=C\C(=O)[O-])C2CC2)cc1 ZINC000096319314 178350572 /nfs/dbraw/zinc/35/05/72/178350572.db2.gz YXTBYLXKPMDEAR-XYOKQWHBSA-N -1 0 202.253 2.873 50 0 BFAARM CCOc1ccc2oc(C)c(C(=O)[O-])c2c1 ZINC000000096566 342673957 /nfs/dbraw/zinc/67/39/57/342673957.db2.gz NTADZSZNVASNHI-UHFFFAOYSA-N -1 0 220.224 2.838 50 0 BFAARM O=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000000166323 342678688 /nfs/dbraw/zinc/67/86/88/342678688.db2.gz GRBUVHSYBRTCIB-UHFFFAOYSA-N -1 0 228.247 2.964 50 0 BFAARM CSc1sc(C(=O)[O-])c(C)c1[C@@H](C)O ZINC000000170920 342679170 /nfs/dbraw/zinc/67/91/70/342679170.db2.gz XDSUEEDILJKREI-RXMQYKEDSA-N -1 0 232.326 2.530 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000000215409 342680235 /nfs/dbraw/zinc/68/02/35/342680235.db2.gz DPBUJVBXRABXRH-IUCAKERBSA-N -1 0 241.084 2.637 50 0 BFAARM CC(C)(C)OC(=O)Nc1ccccc1C(=O)[O-] ZINC000000216768 342680469 /nfs/dbraw/zinc/68/04/69/342680469.db2.gz BYGHHEDJDSLEKK-UHFFFAOYSA-N -1 0 237.255 2.732 50 0 BFAARM Cc1ccc2cc(C(=O)[O-])c(C)nc2c1 ZINC000000332976 342683554 /nfs/dbraw/zinc/68/35/54/342683554.db2.gz WKTYGVBJWKJPEY-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM O=C([O-])[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000343612 342684101 /nfs/dbraw/zinc/68/41/01/342684101.db2.gz SHLDFCNQGMQVSJ-KBPBESRZSA-N -1 0 242.274 2.588 50 0 BFAARM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)[O-] ZINC000000372500 342685369 /nfs/dbraw/zinc/68/53/69/342685369.db2.gz PNWGQBBWAMFZBY-LLVKDONJSA-N -1 0 208.257 2.545 50 0 BFAARM O=C([O-])c1cc2cc(Br)ccc2[nH]1 ZINC000000402742 342686709 /nfs/dbraw/zinc/68/67/09/342686709.db2.gz YAULOOYNCJDPPU-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM Nc1cccc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000001259914 342698626 /nfs/dbraw/zinc/69/86/26/342698626.db2.gz NAAHKTGYIYVJMX-UHFFFAOYSA-N -1 0 227.263 2.563 50 0 BFAARM O=C([O-])c1cccc(OCc2ccccc2)c1 ZINC000001748751 342712110 /nfs/dbraw/zinc/71/21/10/342712110.db2.gz CISXCTKEQYOZAM-UHFFFAOYSA-N -1 0 228.247 2.964 50 0 BFAARM O=C([O-])c1ccccc1OC(F)(F)C(F)F ZINC000002243252 342717313 /nfs/dbraw/zinc/71/73/13/342717313.db2.gz SKLLNTQHBPZMDI-UHFFFAOYSA-N -1 0 238.136 2.622 50 0 BFAARM Cc1nc(COc2ccccc2C(=O)[O-])cs1 ZINC000004207359 342744165 /nfs/dbraw/zinc/74/41/65/342744165.db2.gz OLLYNXHSYOZLGB-UHFFFAOYSA-N -1 0 249.291 2.729 50 0 BFAARM COC(=O)C=C([O-])c1ccc(C(C)(C)C)cc1 ZINC000004242273 342745382 /nfs/dbraw/zinc/74/53/82/342745382.db2.gz SZYLQWHNAKARMD-UHFFFAOYSA-N -1 0 234.295 2.730 50 0 BFAARM O=C([O-])[C@@]1(c2ccccc2)CC1(Cl)Cl ZINC000004568387 342749081 /nfs/dbraw/zinc/74/90/81/342749081.db2.gz YCXKWZHLCOEWAG-VIFPVBQESA-N -1 0 231.078 2.587 50 0 in-vitro BFAARM O=C([O-])c1ccc(C(=O)c2ccccc2)cc1 ZINC000002504355 342721559 /nfs/dbraw/zinc/72/15/59/342721559.db2.gz IFQUPKAISSPFTE-UHFFFAOYSA-N -1 0 226.231 2.616 50 0 BFAARM Cc1c(Br)csc1C(=O)[O-] ZINC000002511148 342721848 /nfs/dbraw/zinc/72/18/48/342721848.db2.gz TUVDPNVBUMLEHW-UHFFFAOYSA-N -1 0 221.075 2.517 50 0 BFAARM O=C([O-])c1cccc2c3c([nH]c21)CCCC3 ZINC000002565607 342724613 /nfs/dbraw/zinc/72/46/13/342724613.db2.gz POBJTDRFZSKTBC-UHFFFAOYSA-N -1 0 215.252 2.745 50 0 BFAARM O=C([O-])c1ncoc1-c1ccc(Cl)cc1 ZINC000002577509 342725205 /nfs/dbraw/zinc/72/52/05/342725205.db2.gz WGPXKQGURSURNU-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])[C@@H](C[C@@H]1CCCS1)C(F)(F)F ZINC000002585387 342725995 /nfs/dbraw/zinc/72/59/95/342725995.db2.gz WZMDICHYPNRSDP-NTSWFWBYSA-N -1 0 228.235 2.535 50 0 BFAARM COc1cc(C(=O)[O-])cc(Cl)c1OC(C)C ZINC000002656562 342726589 /nfs/dbraw/zinc/72/65/89/342726589.db2.gz SHWDMVBTBWPOON-UHFFFAOYSA-N -1 0 244.674 2.834 50 0 BFAARM Cc1csc(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000003218377 342731733 /nfs/dbraw/zinc/73/17/33/342731733.db2.gz VWQMNWDBMGYALO-UHFFFAOYSA-N -1 0 234.280 2.893 50 0 BFAARM CC(C)c1ccc2cc(C(=O)[O-])[nH]c2c1 ZINC000003748675 342737424 /nfs/dbraw/zinc/73/74/24/342737424.db2.gz DPDMFBGWQRIYBU-UHFFFAOYSA-N -1 0 203.241 2.990 50 0 BFAARM Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC000003887084 342739059 /nfs/dbraw/zinc/73/90/59/342739059.db2.gz QHVTWKGAGKEAJV-UHFFFAOYSA-N -1 0 244.294 2.555 50 0 BFAARM COc1cc(C(=O)[O-])c(Cl)cc1OC(C)C ZINC000005027771 342756855 /nfs/dbraw/zinc/75/68/55/342756855.db2.gz SJDKPTLZBDUBFM-UHFFFAOYSA-N -1 0 244.674 2.834 50 0 BFAARM O=C([O-])c1c2c(sc1-n1cccc1)CCC2 ZINC000005137940 342758618 /nfs/dbraw/zinc/75/86/18/342758618.db2.gz AFUGGWFQZJEYCV-UHFFFAOYSA-N -1 0 233.292 2.726 50 0 BFAARM Cc1ccc(NC=C2SC([O-])=NC2=O)c(C)c1 ZINC000005570741 342766331 /nfs/dbraw/zinc/76/63/31/342766331.db2.gz JEZLKIMMYNNJBO-UXBLZVDNSA-N -1 0 248.307 2.540 50 0 BFAARM S=c1[n-]nc(Cc2ccc(Cl)cc2)o1 ZINC000005996947 342772286 /nfs/dbraw/zinc/77/22/86/342772286.db2.gz LOBIRZKDPDHUGL-UHFFFAOYSA-N -1 0 226.688 2.603 50 0 BFAARM O=C([O-])c1cc(N2CCCC2)nc2ccccc21 ZINC000006341907 342776698 /nfs/dbraw/zinc/77/66/98/342776698.db2.gz ZYHBHRZETUGWKK-UHFFFAOYSA-N -1 0 242.278 2.533 50 0 BFAARM O=c1nc[n-]c2cc(-c3ccccc3)sc21 ZINC000008666590 342801814 /nfs/dbraw/zinc/80/18/14/342801814.db2.gz XSAILWORLBSSMS-UHFFFAOYSA-N -1 0 228.276 2.652 50 0 BFAARM O=C([O-])c1cnoc1-c1cccc(Cl)c1 ZINC000008700107 342802588 /nfs/dbraw/zinc/80/25/88/342802588.db2.gz BFTOBWVSHBDZQV-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])c1ccc(CNc2ccccc2)o1 ZINC000008702183 342802723 /nfs/dbraw/zinc/80/27/23/342802723.db2.gz JLEKDCSMDYIBRQ-UHFFFAOYSA-N -1 0 217.224 2.590 50 0 BFAARM Cc1ccc(C)n1[C@@H](CC(=O)[O-])c1ccco1 ZINC000006924002 342786154 /nfs/dbraw/zinc/78/61/54/342786154.db2.gz DQHCAMPACSWKRR-NSHDSACASA-N -1 0 233.267 2.762 50 0 BFAARM CCOc1oc(-c2cccs2)nc1C(=O)[O-] ZINC000009156374 342809061 /nfs/dbraw/zinc/80/90/61/342809061.db2.gz QKPNHNBCKNWOFO-UHFFFAOYSA-N -1 0 239.252 2.500 50 0 BFAARM Nc1cc(-c2ccc(F)cc2)sc1C(=O)[O-] ZINC000009189771 342809267 /nfs/dbraw/zinc/80/92/67/342809267.db2.gz GBOBZKIXDFDVRH-UHFFFAOYSA-N -1 0 237.255 2.835 50 0 BFAARM Cc1cccc2c(C)c(CCC(=O)[O-])c(=O)[nH]c12 ZINC000008740050 342803945 /nfs/dbraw/zinc/80/39/45/342803945.db2.gz NPTBNCSEINFQCT-UHFFFAOYSA-N -1 0 245.278 2.574 50 0 biogenic BFAARM Cc1ccc(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000002574404 178446950 /nfs/dbraw/zinc/44/69/50/178446950.db2.gz GBQHZBPGJTZDLC-NEPJUHHUSA-N -1 0 232.279 2.679 50 0 BFAARM Cn1c(C(=O)[O-])ccc1-c1ccccc1F ZINC000011730411 342842715 /nfs/dbraw/zinc/84/27/15/342842715.db2.gz GGCQFQKNZBLIHQ-UHFFFAOYSA-N -1 0 219.215 2.529 50 0 BFAARM O=C([O-])c1ccc(-c2cccs2)nc1 ZINC000012370501 342850378 /nfs/dbraw/zinc/85/03/78/342850378.db2.gz QYGFXNUFKLRCRB-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM CC(C)c1c(C(=O)[O-])cnn1-c1ccc(F)cc1 ZINC000012997603 342862850 /nfs/dbraw/zinc/86/28/50/342862850.db2.gz YHHZVKBRJOQRCC-UHFFFAOYSA-N -1 0 248.257 2.833 50 0 BFAARM O=C([O-])c1cc(Cl)cn1Cc1ccccc1 ZINC000012803960 342858717 /nfs/dbraw/zinc/85/87/17/342858717.db2.gz NXMRANJXAMUFID-UHFFFAOYSA-N -1 0 235.670 2.888 50 0 BFAARM Fc1cc([S-])ccc1Br ZINC000015442774 342896403 /nfs/dbraw/zinc/89/64/03/342896403.db2.gz QWSUMJXRROQYPN-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM C/C=C/C=C/C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000096404593 398317489 /nfs/dbraw/zinc/31/74/89/398317489.db2.gz VQYQPAGETXLFQA-VNKDHWASSA-N -1 0 245.278 2.764 50 0 BFAARM O=C([O-])c1cccc(-c2ccc(F)cc2)n1 ZINC000015446093 342896520 /nfs/dbraw/zinc/89/65/20/342896520.db2.gz WEEVXEKXCIBZMB-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])c1cc(Cl)c(F)c(Cl)c1 ZINC000016158589 342907287 /nfs/dbraw/zinc/90/72/87/342907287.db2.gz CRRHVMZOOBWYRG-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(CO)cc2)cc1 ZINC000016947575 342917892 /nfs/dbraw/zinc/91/78/92/342917892.db2.gz KFUFJTLYVMRPLV-UHFFFAOYSA-N -1 0 228.247 2.544 50 0 BFAARM C/C(=C\C(=O)Nc1ccccc1C(C)C)C(=O)[O-] ZINC000016973339 342918355 /nfs/dbraw/zinc/91/83/55/342918355.db2.gz PAQBCOXPINHZOJ-CSKARUKUSA-N -1 0 247.294 2.779 50 0 BFAARM Cc1ccc(C)c(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000043878985 178468561 /nfs/dbraw/zinc/46/85/61/178468561.db2.gz IXRYEWWKVYLYLA-NWDGAFQWSA-N -1 0 246.306 2.987 50 0 BFAARM O=C([O-])c1c(Cl)cccc1OCC1CC1 ZINC000020080313 342968442 /nfs/dbraw/zinc/96/84/42/342968442.db2.gz KWVJTEJRHBSDCH-UHFFFAOYSA-N -1 0 226.659 2.827 50 0 BFAARM C/C(=C\C(=O)[O-])c1ccccc1OC(F)F ZINC000020259924 342978912 /nfs/dbraw/zinc/97/89/12/342978912.db2.gz NMUQGDKBFFHJPK-VOTSOKGWSA-N -1 0 228.194 2.776 50 0 BFAARM O=C([O-])c1cccc(-c2cscn2)c1 ZINC000020440144 342985320 /nfs/dbraw/zinc/98/53/20/342985320.db2.gz SILWMAYWINQECB-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])c1scnc1-c1ccccc1 ZINC000020441992 342985335 /nfs/dbraw/zinc/98/53/35/342985335.db2.gz NGTZFWMOTDGMKO-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM Cc1onc(-c2ccc(F)cc2F)c1C(=O)[O-] ZINC000020444581 342985887 /nfs/dbraw/zinc/98/58/87/342985887.db2.gz LHXLDOWHTKNCDL-UHFFFAOYSA-N -1 0 239.177 2.626 50 0 BFAARM O=C([O-])c1cccnc1Oc1cccc(F)c1 ZINC000022166083 343042712 /nfs/dbraw/zinc/04/27/12/343042712.db2.gz KDTHPSLXPTVRJM-UHFFFAOYSA-N -1 0 233.198 2.711 50 0 BFAARM O=C([O-])c1ccc2nc(Cl)c(Cl)nc2c1 ZINC000021984719 343032114 /nfs/dbraw/zinc/03/21/14/343032114.db2.gz ZGQQEHVULTVXQD-UHFFFAOYSA-N -1 0 243.049 2.635 50 0 BFAARM CCCc1nn(Cc2ccccc2)cc1C(=O)[O-] ZINC000032627631 343238967 /nfs/dbraw/zinc/23/89/67/343238967.db2.gz UFZYVWQWNAGYSO-UHFFFAOYSA-N -1 0 244.294 2.582 50 0 BFAARM C[C@@H](CSCc1ccccc1)C(=O)[O-] ZINC000034535237 343274165 /nfs/dbraw/zinc/27/41/65/343274165.db2.gz KARSURQOGRNRLB-VIFPVBQESA-N -1 0 210.298 2.641 50 0 BFAARM O=C([O-])c1cnc(Cc2ccc(F)cc2)s1 ZINC000036930121 343327884 /nfs/dbraw/zinc/32/78/84/343327884.db2.gz CRJSAVSSWSJYLR-UHFFFAOYSA-N -1 0 237.255 2.571 50 0 BFAARM O=C([O-])c1c(Cl)ccc(Cl)c1F ZINC000038529756 343376029 /nfs/dbraw/zinc/37/60/29/343376029.db2.gz GPDYPRHGLQZRIP-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM CC(C)Cn1ccc2c1cccc2C(=O)[O-] ZINC000037244858 343340748 /nfs/dbraw/zinc/34/07/48/343340748.db2.gz GLMPHWJHKVSQNE-UHFFFAOYSA-N -1 0 217.268 2.996 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000037381102 343344225 /nfs/dbraw/zinc/34/42/25/343344225.db2.gz FJXYZGVJJOLGLQ-WHFBIAKZSA-N -1 0 202.662 2.590 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000037380706 343344227 /nfs/dbraw/zinc/34/42/27/343344227.db2.gz URRRSJNYUQVDCI-HTQZYQBOSA-N -1 0 246.184 2.773 50 0 BFAARM COc1c(Cl)c(Cl)ccc1C(=O)[O-] ZINC000039423668 343389975 /nfs/dbraw/zinc/38/99/75/343389975.db2.gz VSFXUMIYSSTHSQ-UHFFFAOYSA-N -1 0 221.039 2.700 50 0 BFAARM O=C([O-])c1ccccc1Oc1ccccn1 ZINC000040541986 343406618 /nfs/dbraw/zinc/40/66/18/343406618.db2.gz CLVADGGXOXDLIW-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM O=C([O-])c1ccc(-c2ccccc2F)cn1 ZINC000041229459 343417320 /nfs/dbraw/zinc/41/73/20/343417320.db2.gz BOCBXJDDFWXTNN-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])c1ccnc(-c2ccc(F)cc2)c1 ZINC000041229476 343417374 /nfs/dbraw/zinc/41/73/74/343417374.db2.gz HUPROSZAFNBWQU-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])c1ccc(Oc2ccncc2)cc1 ZINC000042304341 343434557 /nfs/dbraw/zinc/43/45/57/343434557.db2.gz WYGAJMPVZCYTIA-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000043626097 343479148 /nfs/dbraw/zinc/47/91/48/343479148.db2.gz JNLZQDCKJDMRPL-RXMQYKEDSA-N -1 0 234.082 2.878 50 0 BFAARM O=C([O-])c1csc2cc(Cl)cnc12 ZINC000044029939 343489871 /nfs/dbraw/zinc/48/98/71/343489871.db2.gz CDUYFKVZTTWWIL-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM CCc1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000043214247 343465927 /nfs/dbraw/zinc/46/59/27/343465927.db2.gz JZPAMADRFYJDLN-UHFFFAOYSA-N -1 0 234.295 2.933 50 0 BFAARM O=C([O-])c1ccc2nc(-c3cccs3)cn2c1 ZINC000049646728 537836542 /nfs/dbraw/zinc/83/65/42/537836542.db2.gz IUJJQCICZJHLEY-UHFFFAOYSA-N -1 0 244.275 2.761 50 0 BFAARM Cc1ccc(N)cc1-c1ccc(C(=O)[O-])o1 ZINC000057351217 178704805 /nfs/dbraw/zinc/70/48/05/178704805.db2.gz OFDZBOBLYHSYAY-UHFFFAOYSA-N -1 0 217.224 2.535 50 0 BFAARM O=C([O-])c1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000135927676 344937791 /nfs/dbraw/zinc/93/77/91/344937791.db2.gz CELVQYDOLLNPMB-UHFFFAOYSA-N -1 0 230.145 2.566 50 0 BFAARM O=[S@@]([O-])Cc1ccc(Cl)c(Cl)c1 ZINC000034089218 346191023 /nfs/dbraw/zinc/19/10/23/346191023.db2.gz GKZSQOXGKOWXDE-UHFFFAOYSA-N -1 0 225.096 2.715 50 0 BFAARM Cc1cccc(C)c1OCCCC(=O)[O-] ZINC000004136945 179045882 /nfs/dbraw/zinc/04/58/82/179045882.db2.gz LGFQFIRVICKGHO-UHFFFAOYSA-N -1 0 208.257 2.547 50 0 BFAARM Cc1cccc(C)c1OCc1n[n-]c(=S)o1 ZINC000005981853 179048028 /nfs/dbraw/zinc/04/80/28/179048028.db2.gz NTNOGOXAYIUDSY-UHFFFAOYSA-N -1 0 236.296 2.554 50 0 BFAARM CC1(C)CC[C@@H](CCCC(=O)[O-])C(=O)C1 ZINC000004797079 346607285 /nfs/dbraw/zinc/60/72/85/346607285.db2.gz LNJXELCPVZIKTE-SECBINFHSA-N -1 0 212.289 2.637 50 0 BFAARM COc1ccc2cc(O[C@H](C)C(=O)[O-])ccc2c1 ZINC000585122800 346647242 /nfs/dbraw/zinc/64/72/42/346647242.db2.gz MQNHSOQKEUDCOW-SECBINFHSA-N -1 0 246.262 2.700 50 0 BFAARM Cc1cccc(Nc2cc(C(=O)[O-])ccn2)c1 ZINC000019845300 179159597 /nfs/dbraw/zinc/15/95/97/179159597.db2.gz UIRQINHEJOFUDN-UHFFFAOYSA-N -1 0 228.251 2.832 50 0 BFAARM Cc1cccc(OCCCC(=O)[O-])c1C ZINC000001871161 179165155 /nfs/dbraw/zinc/16/51/55/179165155.db2.gz UCSFUDMEDAWBOJ-UHFFFAOYSA-N -1 0 208.257 2.547 50 0 BFAARM Cc1ccccc1-c1ccc(C(=O)[O-])cn1 ZINC000039927706 179235285 /nfs/dbraw/zinc/23/52/85/179235285.db2.gz OLZQALHJPYJQFY-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1ccccc1-n1[n-]c2c(c1=O)CCCC2 ZINC000100072150 179242368 /nfs/dbraw/zinc/24/23/68/179242368.db2.gz YVFIRRAXKUJTQV-UHFFFAOYSA-N -1 0 228.295 2.765 50 0 BFAARM Cc1ccccc1C(=O)CCCCC(=O)[O-] ZINC000002378635 179246604 /nfs/dbraw/zinc/24/66/04/179246604.db2.gz SBYKYOKRTBCYTI-UHFFFAOYSA-N -1 0 220.268 2.823 50 0 BFAARM Cc1ccccc1C(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000002574453 179253196 /nfs/dbraw/zinc/25/31/96/179253196.db2.gz JCFJOOWFROHYMP-VXGBXAGGSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1ccccc1C(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000083296023 179253616 /nfs/dbraw/zinc/25/36/16/179253616.db2.gz JCFJOOWFROHYMP-RYUDHWBXSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1ccoc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000261946 179509291 /nfs/dbraw/zinc/50/92/91/179509291.db2.gz ZSWWCBKLACAGSL-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM Cc1ccccc1Nc1scnc1C(=O)[O-] ZINC000081898150 190994001 /nfs/dbraw/zinc/99/40/01/190994001.db2.gz XVXMBIQIDKKMIM-UHFFFAOYSA-N -1 0 234.280 2.893 50 0 BFAARM CCCc1nccn1Cc1ccc(C(=O)[O-])cc1 ZINC000070535645 350017603 /nfs/dbraw/zinc/01/76/03/350017603.db2.gz YIVQAHNKCOVEDY-UHFFFAOYSA-N -1 0 244.294 2.582 50 0 BFAARM Cc1cc(C(=O)[O-])n(-c2cccc(Cl)c2)n1 ZINC000077606326 191005764 /nfs/dbraw/zinc/00/57/64/191005764.db2.gz MVKFGYKGLXZAIV-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM Cc1nc2ccc(C(=O)[O-])cc2c2c1C[C@@H](C)O2 ZINC000019735261 180088764 /nfs/dbraw/zinc/08/87/64/180088764.db2.gz HZMWUIGUTIJYJZ-SSDOTTSWSA-N -1 0 243.262 2.565 50 0 biogenic BFAARM Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000020268284 180101117 /nfs/dbraw/zinc/10/11/17/180101117.db2.gz IXSPGXNTIAITRL-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM Cc1nc2ccccc2n1[C@@H](C(=O)[O-])C(C)C ZINC000019410822 180104784 /nfs/dbraw/zinc/10/47/84/180104784.db2.gz LBSTVAAYZYPZIB-GFCCVEGCSA-N -1 0 232.283 2.626 50 0 BFAARM O=Cc1cccc(F)c1-c1ccc(C(=O)[O-])o1 ZINC000725261216 538085656 /nfs/dbraw/zinc/08/56/56/538085656.db2.gz WNUGFCVBHRGCAG-UHFFFAOYSA-N -1 0 234.182 2.596 50 0 BFAARM Cc1cc(C)cc(C(=O)C[C@H](C)C(=O)[O-])c1 ZINC000002579858 187756495 /nfs/dbraw/zinc/75/64/95/187756495.db2.gz COYIRJYVWHGOAE-JTQLQIEISA-N -1 0 220.268 2.597 50 0 BFAARM CC(C)(Oc1ccccc1Cl)C(=O)[O-] ZINC000000043838 188098824 /nfs/dbraw/zinc/09/88/24/188098824.db2.gz ZEQSWIRBIUYYFA-UHFFFAOYSA-N -1 0 214.648 2.582 50 0 BFAARM CCc1cccc(C)c1NC(=O)CCCC(=O)[O-] ZINC000000101824 188099125 /nfs/dbraw/zinc/09/91/25/188099125.db2.gz HQULJSKNKMMDCZ-UHFFFAOYSA-N -1 0 249.310 2.751 50 0 BFAARM COc1ccc(CCCCC(=O)[O-])cc1OC ZINC000001678807 188100268 /nfs/dbraw/zinc/10/02/68/188100268.db2.gz PIVDEYCOOAOYEI-UHFFFAOYSA-N -1 0 238.283 2.501 50 0 BFAARM O=C([O-])c1nc(-c2ccccc2)oc1C1CC1 ZINC000019269180 188107303 /nfs/dbraw/zinc/10/73/03/188107303.db2.gz CGMNZWYGTFJKTF-UHFFFAOYSA-N -1 0 229.235 2.917 50 0 BFAARM Fc1cc(Br)ccc1[S-] ZINC000015442772 188106035 /nfs/dbraw/zinc/10/60/35/188106035.db2.gz KENIDQSHNHNYOY-UHFFFAOYSA-N -1 0 207.067 2.877 50 0 BFAARM Cc1cc(Br)c(F)cc1C(=O)[O-] ZINC000067802609 188129110 /nfs/dbraw/zinc/12/91/10/188129110.db2.gz ZIXRUMIXLQUGGN-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM CC(C)COc1ccc(C(=O)[O-])cc1F ZINC000020080446 188175209 /nfs/dbraw/zinc/17/52/09/188175209.db2.gz IIBZDQZXTSSWBX-UHFFFAOYSA-N -1 0 212.220 2.559 50 0 BFAARM Cc1onc(C(=O)[O-])c1COc1ccccc1C ZINC000006658331 188459398 /nfs/dbraw/zinc/45/93/98/188459398.db2.gz QKIAMULQZTXWPU-UHFFFAOYSA-N -1 0 247.250 2.569 50 0 BFAARM CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000012647631 168740952 /nfs/dbraw/zinc/74/09/52/168740952.db2.gz XVQDXDHZJPGIIN-SECBINFHSA-N -1 0 245.319 2.545 50 0 BFAARM COC(=O)CCCCCCCCCC(=O)[O-] ZINC000001670913 357107699 /nfs/dbraw/zinc/10/76/99/357107699.db2.gz JAELIPKEGUQPKD-UHFFFAOYSA-N -1 0 230.304 2.755 50 0 BFAARM CC(C)Cn1ccc2c1cccc2OCC(=O)[O-] ZINC000575440936 357355859 /nfs/dbraw/zinc/35/58/59/357355859.db2.gz KXTQEYLSGDBJPA-UHFFFAOYSA-N -1 0 247.294 2.761 50 0 BFAARM CC(C)n1[n-]c(-c2ccccc2)cc1=O ZINC000116604113 359346637 /nfs/dbraw/zinc/34/66/37/359346637.db2.gz ZCGQDTGNOWHFDU-UHFFFAOYSA-N -1 0 202.257 2.837 50 0 BFAARM CC1(C)C[C@@](Cc2ccccc2)(C(=O)[O-])CCO1 ZINC000006763537 360756680 /nfs/dbraw/zinc/75/66/80/360756680.db2.gz KLYLQAGPUFFWHE-OAHLLOKOSA-N -1 0 248.322 2.889 50 0 biogenic BFAARM CCCn1c(C)cc(/C=C\C(=O)[O-])c1C ZINC000006888299 361084988 /nfs/dbraw/zinc/08/49/88/361084988.db2.gz RVUQJFGITSAJDF-WAYWQWQTSA-N -1 0 207.273 2.613 50 0 BFAARM CCC(=O)C(C)=C([O-])c1ccc(F)cc1 ZINC000232841996 541507952 /nfs/dbraw/zinc/50/79/52/541507952.db2.gz IADMDHCXIKXMPN-QMMMGPOBSA-N -1 0 208.232 2.624 50 0 BFAARM CCSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000018127932 369436725 /nfs/dbraw/zinc/43/67/25/369436725.db2.gz JUSHOYXQHVQBDG-UHFFFAOYSA-N -1 0 232.308 2.549 50 0 BFAARM Nc1ccc(/C=C/c2cccc(C(=O)[O-])n2)cc1 ZINC000005048077 181698623 /nfs/dbraw/zinc/69/86/23/181698623.db2.gz QASPDWZDKLUOPO-RMKNXTFCSA-N -1 0 240.262 2.532 50 0 BFAARM O=C([O-])c1c[nH]c2cc(F)c(Cl)cc12 ZINC000215603591 371596374 /nfs/dbraw/zinc/59/63/74/371596374.db2.gz KQHJHOPBNUMUJO-UHFFFAOYSA-N -1 0 213.595 2.659 50 0 BFAARM Nc1scc(-c2cccs2)c1C(=O)[O-] ZINC000082360643 181820232 /nfs/dbraw/zinc/82/02/32/181820232.db2.gz NYDAGLIKCCZNKF-UHFFFAOYSA-N -1 0 225.294 2.757 50 0 BFAARM Nc1ccc2c3ccccc3oc2c1C(=O)[O-] ZINC000003999666 372111643 /nfs/dbraw/zinc/11/16/43/372111643.db2.gz XZJCQIYODNFOGO-UHFFFAOYSA-N -1 0 227.219 2.866 50 0 biogenic BFAARM CC[C@@](C)(COCc1ccccc1)C(=O)[O-] ZINC000141328521 372924585 /nfs/dbraw/zinc/92/45/85/372924585.db2.gz QIZZVTODBDLUHE-ZDUSSCGKSA-N -1 0 222.284 2.704 50 0 BFAARM O=C([O-])c1ccccc1NC(=O)c1cccs1 ZINC000000199943 182377586 /nfs/dbraw/zinc/37/75/86/182377586.db2.gz OGUBBDMPILZTQG-UHFFFAOYSA-N -1 0 247.275 2.699 50 0 BFAARM O=C([O-])c1ccccc1NC(=O)c1ccccc1 ZINC000000097718 182377791 /nfs/dbraw/zinc/37/77/91/182377791.db2.gz WXVLIIDDWFGYCV-UHFFFAOYSA-N -1 0 241.246 2.637 50 0 endogenous,in-man BFAARM O=C([O-])/C=C(/c1ccccc1)C(F)(F)F ZINC000000228453 182409192 /nfs/dbraw/zinc/40/91/92/182409192.db2.gz IZLDRXUDBMVNKB-VURMDHGXSA-N -1 0 216.158 2.717 50 0 BFAARM O=C([O-])/C=C/c1cc(Br)cs1 ZINC000000152862 182411769 /nfs/dbraw/zinc/41/17/69/182411769.db2.gz VHKFUECAKTYKCR-OWOJBTEDSA-N -1 0 233.086 2.608 50 0 BFAARM O=C([O-])C1(c2ccc3c(c2)OCO3)CCCCC1 ZINC000034940514 182425976 /nfs/dbraw/zinc/42/59/76/182425976.db2.gz XWEGPKFJPHBDIF-UHFFFAOYSA-N -1 0 248.278 2.702 50 0 BFAARM O=C([O-])CCCC(=O)c1ccc(Cl)c(F)c1 ZINC000004242547 182436017 /nfs/dbraw/zinc/43/60/17/182436017.db2.gz GWPVAONYRKBXDR-UHFFFAOYSA-N -1 0 244.649 2.917 50 0 BFAARM O=C([O-])CCCSc1ccc(F)cc1 ZINC000019268407 182441517 /nfs/dbraw/zinc/44/15/17/182441517.db2.gz KSIOAHCIEIQBOS-UHFFFAOYSA-N -1 0 214.261 2.783 50 0 BFAARM O=C([O-])COc1ccc(Cl)c2ccccc12 ZINC000001732253 182470365 /nfs/dbraw/zinc/47/03/65/182470365.db2.gz MNLRUNHEJYLLBJ-UHFFFAOYSA-N -1 0 236.654 2.957 50 0 BFAARM O=C([O-])[C@H]1CC[C@@H](C(=O)c2cccc(F)c2)C1 ZINC000002574400 182539188 /nfs/dbraw/zinc/53/91/88/182539188.db2.gz DOKDVGNQZDVNNL-ZJUUUORDSA-N -1 0 236.242 2.509 50 0 BFAARM O=C([O-])c1cc(-c2cc(O)cc(F)c2)cs1 ZINC000065340954 182549139 /nfs/dbraw/zinc/54/91/39/182549139.db2.gz UUTMQRCQJZKQLM-UHFFFAOYSA-N -1 0 238.239 2.958 50 0 BFAARM O=C([O-])c1cc(C(F)(F)F)nc2ccccc21 ZINC000008585277 182554008 /nfs/dbraw/zinc/55/40/08/182554008.db2.gz BHRSRGUVJGTOBA-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000020392472 182545297 /nfs/dbraw/zinc/54/52/97/182545297.db2.gz SHCKKENSUDTLMS-SFYZADRCSA-N -1 0 230.185 2.894 50 0 BFAARM O=C([O-])c1ccc(NC(=O)C2CCCC2)cc1 ZINC000013166509 182567977 /nfs/dbraw/zinc/56/79/77/182567977.db2.gz PQHFLDNXONVNSR-UHFFFAOYSA-N -1 0 233.267 2.514 50 0 BFAARM O=C([O-])c1ccc(N2Cc3ccccc3C2)cc1 ZINC000000033845 182568618 /nfs/dbraw/zinc/56/86/18/182568618.db2.gz YLWWJMYNWJSUNG-UHFFFAOYSA-N -1 0 239.274 2.905 50 0 BFAARM O=C([O-])c1ccc2cc(C(F)(F)F)cnc2c1 ZINC000253532882 182573573 /nfs/dbraw/zinc/57/35/73/182573573.db2.gz DNUKXMODJXKWJP-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])c1cc2cccc(Br)c2[nH]1 ZINC000002568834 182559599 /nfs/dbraw/zinc/55/95/99/182559599.db2.gz ZKGMXVLKFBRKNN-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM O=C([O-])c1cc2nccc(Cl)c2s1 ZINC000071788793 182560960 /nfs/dbraw/zinc/56/09/60/182560960.db2.gz OACQHLMJJRQAPO-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM O=C([O-])c1cc2scc(Br)c2[nH]1 ZINC000030678295 182561403 /nfs/dbraw/zinc/56/14/03/182561403.db2.gz WQGQGYADKDKACG-UHFFFAOYSA-N -1 0 246.085 2.690 50 0 BFAARM O=C([O-])c1cc2oc3ccccc3c2cc1O ZINC000004577642 182561724 /nfs/dbraw/zinc/56/17/24/182561724.db2.gz QWRCZQZZFQIUEF-UHFFFAOYSA-N -1 0 228.203 2.990 50 0 BFAARM O=C([O-])c1cccnc1Oc1ccc(F)cc1 ZINC000000128980 182584394 /nfs/dbraw/zinc/58/43/94/182584394.db2.gz SDZUYDOXBXHDCE-UHFFFAOYSA-N -1 0 233.198 2.711 50 0 BFAARM O=C([O-])c1onc2cc(C(F)(F)F)ccc21 ZINC000038478328 182598299 /nfs/dbraw/zinc/59/82/99/182598299.db2.gz WILVLFLFYQJSBL-UHFFFAOYSA-N -1 0 231.129 2.545 50 0 BFAARM O=[S@@]([O-])c1ccc(Cl)cc1Cl ZINC000034558779 182965180 /nfs/dbraw/zinc/96/51/80/182965180.db2.gz OKUBMVUZAZAYAI-UHFFFAOYSA-N -1 0 211.069 2.574 50 0 BFAARM CCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000003230900 169032264 /nfs/dbraw/zinc/03/22/64/169032264.db2.gz YIMVQTWMNLKAPM-UHFFFAOYSA-N -1 0 234.324 2.859 50 0 BFAARM [O-]c1cc(C(F)(F)F)cnc1Br ZINC000074934327 183257578 /nfs/dbraw/zinc/25/75/78/183257578.db2.gz MOQSHFMHUSEYPV-UHFFFAOYSA-N -1 0 241.994 2.569 50 0 BFAARM [O-]c1cc(F)c(Br)cc1Cl ZINC000170687951 183258482 /nfs/dbraw/zinc/25/84/82/183258482.db2.gz DBZOBXATIIXRPE-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM CCCOc1ccc2cc(C(=O)[O-])[nH]c2c1 ZINC000003748720 169323181 /nfs/dbraw/zinc/32/31/81/169323181.db2.gz RDJZECGARHZBHJ-UHFFFAOYSA-N -1 0 219.240 2.655 50 0 BFAARM CCCC(C(=O)OCC)=C([O-])c1ccccc1 ZINC000002045216 169347010 /nfs/dbraw/zinc/34/70/10/169347010.db2.gz VGSIFKKEDZIPEN-GFCCVEGCSA-N -1 0 234.295 2.849 50 0 BFAARM O=C([O-])CCc1cccc(C(F)(F)F)c1 ZINC000000154055 383836072 /nfs/dbraw/zinc/83/60/72/383836072.db2.gz YLTJJMIWCCJIHI-UHFFFAOYSA-N -1 0 218.174 2.723 50 0 BFAARM O=C([O-])CCOc1cc(Cl)ccc1Cl ZINC000000334862 383857200 /nfs/dbraw/zinc/85/72/00/383857200.db2.gz IOPJZIQVDBFLAJ-UHFFFAOYSA-N -1 0 235.066 2.847 50 0 BFAARM O=C([O-])CCc1cc(F)ccc1Br ZINC000035688530 383866776 /nfs/dbraw/zinc/86/67/76/383866776.db2.gz CBKSPBGBNLIACD-UHFFFAOYSA-N -1 0 247.063 2.605 50 0 BFAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])o1 ZINC000000446208 383868598 /nfs/dbraw/zinc/86/85/98/383868598.db2.gz JWHIXBPRNNMOHQ-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM CCC[C@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000000570207 383875074 /nfs/dbraw/zinc/87/50/74/383875074.db2.gz DSLOIDXSXSKJBP-VIFPVBQESA-N -1 0 208.257 2.952 50 0 BFAARM Cc1nc(-c2cccc(C(=O)[O-])c2)cs1 ZINC000000158913 383835315 /nfs/dbraw/zinc/83/53/15/383835315.db2.gz YDPHSMPSNLAMJE-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM Cc1c(F)cc(C(=O)[O-])cc1Br ZINC000089064173 383930069 /nfs/dbraw/zinc/93/00/69/383930069.db2.gz KIOZXYDLEXQKKJ-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM O=[P@@]([O-])(O)Cc1cccc2ccccc21 ZINC000001719111 383931824 /nfs/dbraw/zinc/93/18/24/383931824.db2.gz LYGCMUNBGIOQAB-UHFFFAOYSA-N -1 0 222.180 2.518 50 0 BFAARM Cc1cc(C(=O)[O-])c2ccc(C)c(C)c2n1 ZINC000000875130 383884256 /nfs/dbraw/zinc/88/42/56/383884256.db2.gz HRQOZCJRHHXDEK-UHFFFAOYSA-N -1 0 215.252 2.858 50 0 BFAARM CC(C)(C)c1cc(NC(=O)c2ccco2)no1 ZINC000001056319 383888248 /nfs/dbraw/zinc/88/82/48/383888248.db2.gz MPHNYXGIZYEALO-UHFFFAOYSA-N -1 0 234.255 2.817 50 0 BFAARM Cc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000001514376 383902186 /nfs/dbraw/zinc/90/21/86/383902186.db2.gz KNTHNSIRLQYLHR-UHFFFAOYSA-N -1 0 233.292 2.746 50 0 BFAARM O=C([O-])/C=C/c1ccc(OCCCF)cc1 ZINC000002576520 383979150 /nfs/dbraw/zinc/97/91/50/383979150.db2.gz OYMMKASGSUZMPT-QPJJXVBHSA-N -1 0 224.231 2.523 50 0 BFAARM O=C([O-])Cc1cc(Cl)ccc1Br ZINC000002530712 383971858 /nfs/dbraw/zinc/97/18/58/383971858.db2.gz ZPSZXWVBMOMXED-UHFFFAOYSA-N -1 0 249.491 2.730 50 0 BFAARM O=C([O-])Cc1ccc(SC(F)(F)F)cc1 ZINC000002560240 383975429 /nfs/dbraw/zinc/97/54/29/383975429.db2.gz BFDKCZMYQOSTJG-UHFFFAOYSA-N -1 0 236.214 2.926 50 0 BFAARM [O-]c1c(F)c(Br)ccc1Cl ZINC000090413559 384047498 /nfs/dbraw/zinc/04/74/98/384047498.db2.gz WMKQZAWRLMLCRO-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM O=C([O-])COc1ccc2oc3c(c2c1)CCCC3 ZINC000003887803 384033349 /nfs/dbraw/zinc/03/33/49/384033349.db2.gz LVWKRTDDUIYWBR-UHFFFAOYSA-N -1 0 246.262 2.775 50 0 BFAARM CCc1ccc2occ(CC(=O)[O-])c2c1 ZINC000004137176 384042040 /nfs/dbraw/zinc/04/20/40/384042040.db2.gz XIELPSZKUUDDMN-UHFFFAOYSA-N -1 0 204.225 2.622 50 0 BFAARM O=C([O-])C(F)(F)c1ccccc1Cl ZINC000038537390 384085784 /nfs/dbraw/zinc/08/57/84/384085784.db2.gz KKGDBVUFFAFBFG-UHFFFAOYSA-N -1 0 206.575 2.516 50 0 BFAARM O=C([O-])c1ccc(Cn2ccc3ccccc32)o1 ZINC000004412068 384061600 /nfs/dbraw/zinc/06/16/00/384061600.db2.gz KXUPBSSWCTZYAC-UHFFFAOYSA-N -1 0 241.246 2.981 50 0 BFAARM CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCC(=O)[O-] ZINC000004521656 384064080 /nfs/dbraw/zinc/06/40/80/384064080.db2.gz CILPHQCEVYJUDN-AXFHLTTASA-N -1 0 214.305 2.548 50 0 BFAARM O=C([O-])[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000004568388 384070704 /nfs/dbraw/zinc/07/07/04/384070704.db2.gz YCXKWZHLCOEWAG-SECBINFHSA-N -1 0 231.078 2.587 50 0 in-vitro BFAARM O=C([O-])/C=C/c1ccccc1Br ZINC000004977543 384091396 /nfs/dbraw/zinc/09/13/96/384091396.db2.gz OMHDOOAFLCMRFX-AATRIKPKSA-N -1 0 227.057 2.547 50 0 in-vitro BFAARM O=C([O-])Cc1csc(-c2ccccc2F)n1 ZINC000004993664 384093303 /nfs/dbraw/zinc/09/33/03/384093303.db2.gz PWDGGEJDPBDIAY-UHFFFAOYSA-N -1 0 237.255 2.576 50 0 BFAARM O=C([O-])c1cc(Cl)c2cc(F)cc(F)c2n1 ZINC000071025652 384149012 /nfs/dbraw/zinc/14/90/12/384149012.db2.gz ZDXDOOIPFXQOFM-UHFFFAOYSA-N -1 0 243.596 2.865 50 0 BFAARM Cc1ccc(C)c(OCc2n[n-]c(=S)o2)c1 ZINC000006046875 384143877 /nfs/dbraw/zinc/14/38/77/384143877.db2.gz ZJTKSHOMWRHRSJ-UHFFFAOYSA-N -1 0 236.296 2.554 50 0 BFAARM CC(C)COc1c(F)cc(C(=O)[O-])cc1F ZINC000063003927 384164239 /nfs/dbraw/zinc/16/42/39/384164239.db2.gz OPKSAEDCUJGIBY-UHFFFAOYSA-N -1 0 230.210 2.698 50 0 BFAARM O=C([O-])c1ncccc1-c1ccc(F)cc1 ZINC000041229478 384183721 /nfs/dbraw/zinc/18/37/21/384183721.db2.gz XBHRQJLIWJGHMP-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM Cc1cc(C(=O)[O-])cnc1OCc1ccccc1 ZINC000072222378 384203073 /nfs/dbraw/zinc/20/30/73/384203073.db2.gz JPQRFYWNNMSASJ-UHFFFAOYSA-N -1 0 243.262 2.667 50 0 BFAARM Cc1ccc(C(=O)[O-])cc1Oc1ccncc1 ZINC000042415649 384217544 /nfs/dbraw/zinc/21/75/44/384217544.db2.gz WASXRDGYZMWQGG-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM CCOc1cccc(Br)c1C(=O)[O-] ZINC000042784260 384244735 /nfs/dbraw/zinc/24/47/35/384244735.db2.gz MLJFJVNWHCWVPH-UHFFFAOYSA-N -1 0 245.072 2.546 50 0 BFAARM O=C([O-])CCSCc1c[nH]c2ccccc12 ZINC000009667362 384259296 /nfs/dbraw/zinc/25/92/96/384259296.db2.gz YQKXMUZBJDTXBT-UHFFFAOYSA-N -1 0 235.308 2.876 50 0 BFAARM O=C([O-])CCC(=O)c1ccc(F)cc1Cl ZINC000043214154 384263603 /nfs/dbraw/zinc/26/36/03/384263603.db2.gz SIKYNSJUNIDDQM-UHFFFAOYSA-N -1 0 230.622 2.527 50 0 BFAARM Cc1cc(C)c(C(=O)CCC(=O)[O-])cc1C ZINC000043214207 384263653 /nfs/dbraw/zinc/26/36/53/384263653.db2.gz OMQTWJNRKGJMAG-UHFFFAOYSA-N -1 0 220.268 2.659 50 0 BFAARM O=C([O-])c1ccc(Cl)c(OC(F)(F)F)c1 ZINC000012359304 384314108 /nfs/dbraw/zinc/31/41/08/384314108.db2.gz GTBBHPFHWDVWMS-UHFFFAOYSA-N -1 0 240.564 2.937 50 0 BFAARM O=C([O-])c1nnc(-c2cccc(Cl)c2)s1 ZINC000075095417 384318428 /nfs/dbraw/zinc/31/84/28/384318428.db2.gz JYCOWLGEUUHMGQ-UHFFFAOYSA-N -1 0 240.671 2.557 50 0 BFAARM CCc1ccccc1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000043878964 384303853 /nfs/dbraw/zinc/30/38/53/384303853.db2.gz BHEDYVCNZCWUGU-NWDGAFQWSA-N -1 0 246.306 2.933 50 0 BFAARM O=C([O-])c1ccc2cnc(Cl)cc2c1 ZINC000095628598 384383562 /nfs/dbraw/zinc/38/35/62/384383562.db2.gz XYHYBNUDOGWNRA-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1[nH]c2ccc(F)cc2c1Cl ZINC000019770062 384537799 /nfs/dbraw/zinc/53/77/99/384537799.db2.gz XJYRDCVQRZSDJH-UHFFFAOYSA-N -1 0 213.595 2.659 50 0 BFAARM CC(C)=CCOc1cccc(C(=O)[O-])c1 ZINC000019806698 384541024 /nfs/dbraw/zinc/54/10/24/384541024.db2.gz MPDXZEAUIIFQRB-UHFFFAOYSA-N -1 0 206.241 2.730 50 0 BFAARM COc1c(C)cc(CC(=O)[O-])cc1C(F)(F)F ZINC000098210812 384603804 /nfs/dbraw/zinc/60/38/04/384603804.db2.gz YKIGRQUJZSKTLN-UHFFFAOYSA-N -1 0 248.200 2.650 50 0 BFAARM CC(=O)C=C([O-])c1ccc(Br)cc1 ZINC000100035172 384610808 /nfs/dbraw/zinc/61/08/08/384610808.db2.gz GIKXMINIUUFRFD-UHFFFAOYSA-N -1 0 241.084 2.611 50 0 BFAARM CC(C)COc1cccc(/C=C/C(=O)[O-])c1 ZINC000020526778 384621519 /nfs/dbraw/zinc/62/15/19/384621519.db2.gz FFIZMHBCWSIBDN-VOTSOKGWSA-N -1 0 220.268 2.819 50 0 biogenic BFAARM CC(C)(C)c1noc(-c2ccccc2C(=O)[O-])n1 ZINC000020593756 384623705 /nfs/dbraw/zinc/62/37/05/384623705.db2.gz PHDHRVFFYFFTIE-UHFFFAOYSA-N -1 0 246.266 2.732 50 0 BFAARM CC(=O)C=C([O-])c1ccc(Br)s1 ZINC000100238265 384625622 /nfs/dbraw/zinc/62/56/22/384625622.db2.gz JXDALOQSBZBJTM-UHFFFAOYSA-N -1 0 247.113 2.672 50 0 BFAARM O=C([O-])/C=C/c1ccc(Br)c(F)c1 ZINC000082046440 384643655 /nfs/dbraw/zinc/64/36/55/384643655.db2.gz LHHBEQSDZPKXEI-DUXPYHPUSA-N -1 0 245.047 2.686 50 0 BFAARM O=C([O-])[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000084079835 384836866 /nfs/dbraw/zinc/83/68/66/384836866.db2.gz JIBWGTQTPFSTFR-NSHDSACASA-N -1 0 248.326 2.578 50 0 BFAARM O=C([O-])c1cnoc1-c1ccc(F)cc1Cl ZINC000127218525 384873997 /nfs/dbraw/zinc/87/39/97/384873997.db2.gz YPPVPQQVAPTUFH-UHFFFAOYSA-N -1 0 241.605 2.832 50 0 BFAARM CCc1c(C)nc2ccccc2c1C(=O)[O-] ZINC000129497382 384998689 /nfs/dbraw/zinc/99/86/89/384998689.db2.gz LHTWJUIAWGJWTN-UHFFFAOYSA-N -1 0 215.252 2.804 50 0 BFAARM O=C([O-])c1ccc(OC2CCC2)cc1Cl ZINC000061848611 385141497 /nfs/dbraw/zinc/14/14/97/385141497.db2.gz JTWYJJSBVXMGEY-UHFFFAOYSA-N -1 0 226.659 2.970 50 0 BFAARM O=C([O-])C1(c2ccccc2Br)CC1 ZINC000033487194 385241108 /nfs/dbraw/zinc/24/11/08/385241108.db2.gz BJFFZQJYJMQPHY-UHFFFAOYSA-N -1 0 241.084 2.565 50 0 BFAARM CC(C)CC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000063008787 385202899 /nfs/dbraw/zinc/20/28/99/385202899.db2.gz XOQDZTPVDSAQQQ-UHFFFAOYSA-N -1 0 239.246 2.509 50 0 BFAARM Cn1cc(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000169676710 385417313 /nfs/dbraw/zinc/41/73/13/385417313.db2.gz AQVDNPITHWZIPA-UHFFFAOYSA-N -1 0 219.215 2.529 50 0 BFAARM CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2[n-]c1=S ZINC000101333019 386544264 /nfs/dbraw/zinc/54/42/64/386544264.db2.gz MFRGIFMYUMOZCO-SSDOTTSWSA-N -1 0 237.328 2.667 50 0 BFAARM CC(/C=C/c1ccc(Cl)o1)=C/C(=O)[O-] ZINC000012410205 386630234 /nfs/dbraw/zinc/63/02/34/386630234.db2.gz CMGZBBDULSFUFW-OBJMPXFKSA-N -1 0 212.632 2.977 50 0 BFAARM CCc1cccc2c(CC(=O)[O-])coc21 ZINC000087968456 387153198 /nfs/dbraw/zinc/15/31/98/387153198.db2.gz TVZMCWXSUDCUEB-UHFFFAOYSA-N -1 0 204.225 2.622 50 0 BFAARM CCc1ccccc1-n1c(C)n[n-]c1=S ZINC000006395273 387376726 /nfs/dbraw/zinc/37/67/26/387376726.db2.gz DBEPXHARNHULQP-UHFFFAOYSA-N -1 0 219.313 2.801 50 0 BFAARM Cc1cc(C)cc(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000002245616 177894115 /nfs/dbraw/zinc/89/41/15/177894115.db2.gz ZJRUHBSZCZDRJH-NEPJUHHUSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1cc(C)c(C(=O)[O-])c2c1C(=O)C(C)(C)C2 ZINC000000137063 177883536 /nfs/dbraw/zinc/88/35/36/177883536.db2.gz STZOOTNYAOKYQA-UHFFFAOYSA-N -1 0 232.279 2.767 50 0 biogenic BFAARM O=[P@@]([O-])(O)Cc1ccc2ccccc2c1 ZINC000026977583 388095045 /nfs/dbraw/zinc/09/50/45/388095045.db2.gz HELZKSLXGDCKJK-UHFFFAOYSA-N -1 0 222.180 2.518 50 0 BFAARM CC(=C\C(=O)[O-])/C=C\c1ccc(Cl)o1 ZINC000007991541 388399756 /nfs/dbraw/zinc/39/97/56/388399756.db2.gz CMGZBBDULSFUFW-BRXUXDTNSA-N -1 0 212.632 2.977 50 0 BFAARM Cc1ccc(C)c(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000091676026 388642766 /nfs/dbraw/zinc/64/27/66/388642766.db2.gz FLJWIBAXNGPNHL-NEPJUHHUSA-N -1 0 246.306 2.987 50 0 BFAARM O=c1c(-c2cscn2)coc2cc([O-])ccc21 ZINC000005731225 397869879 /nfs/dbraw/zinc/86/98/79/397869879.db2.gz UVFYMKZYQKMXAI-UHFFFAOYSA-N -1 0 245.259 2.622 50 0 biogenic BFAARM O=C([O-])Cc1scnc1-c1ccc(F)cc1 ZINC000020439171 397965132 /nfs/dbraw/zinc/96/51/32/397965132.db2.gz XRJNUEKWBXWZKH-UHFFFAOYSA-N -1 0 237.255 2.576 50 0 BFAARM O=C([O-])C12CCCC(Br)(CCC1)C2 ZINC000004851885 397979873 /nfs/dbraw/zinc/97/98/73/397979873.db2.gz CJKPINKQQPHFDS-UHFFFAOYSA-N -1 0 247.132 2.949 50 0 BFAARM CC(C)Oc1ccc(C(=O)[O-])cc1Cl ZINC000009237074 167290390 /nfs/dbraw/zinc/29/03/90/167290390.db2.gz QXSPLPLQLJAPSM-UHFFFAOYSA-N -1 0 214.648 2.825 50 0 BFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C=C(Cl)Cl ZINC000004771417 168005094 /nfs/dbraw/zinc/00/50/94/168005094.db2.gz LLMLSUSAKZVFOA-XINAWCOVSA-N -1 0 209.072 2.662 50 0 in-vitro BFAARM CC1=C(CC(=O)[O-])c2cc(F)ccc2C1 ZINC000002572704 168087409 /nfs/dbraw/zinc/08/74/09/168087409.db2.gz QDDPPRDVFIJASZ-UHFFFAOYSA-N -1 0 206.216 2.630 50 0 BFAARM CCOC(=O)C=C([O-])c1ccc2ccccc2c1 ZINC000002380227 170197267 /nfs/dbraw/zinc/19/72/67/170197267.db2.gz CMOYIKGRDXXXNU-UHFFFAOYSA-N -1 0 242.274 2.976 50 0 BFAARM CC[C@H](C)Oc1ccccc1/C=C\C(=O)[O-] ZINC000095911101 171356858 /nfs/dbraw/zinc/35/68/58/171356858.db2.gz YUJZBOIWYIYWLF-QROTZFDESA-N -1 0 220.268 2.962 50 0 BFAARM CC[C@H](C)Sc1n[n-]c(=S)s1 ZINC000000163502 171357704 /nfs/dbraw/zinc/35/77/04/171357704.db2.gz APLQCUQNHPBMRZ-BYPYZUCNSA-N -1 0 206.361 2.717 50 0 BFAARM CCc1ccccc1C(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000002245618 171874951 /nfs/dbraw/zinc/87/49/51/171874951.db2.gz MYSXYDPFDGUBOD-QWHCGFSZSA-N -1 0 246.306 2.933 50 0 BFAARM CCc1onc(-c2ccccc2)c1C(=O)[O-] ZINC000034086227 172124868 /nfs/dbraw/zinc/12/48/68/172124868.db2.gz BKVNATITQUEJFR-UHFFFAOYSA-N -1 0 217.224 2.602 50 0 BFAARM CO[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000000396726 174802083 /nfs/dbraw/zinc/80/20/83/174802083.db2.gz CICPXDRPEAWVIT-QMMMGPOBSA-N -1 0 235.066 2.766 50 0 BFAARM COc1ccc(-c2cc(C(=O)[O-])ccc2C)cn1 ZINC000067677535 175030738 /nfs/dbraw/zinc/03/07/38/175030738.db2.gz GAXFGIZQCVVZJK-UHFFFAOYSA-N -1 0 243.262 2.764 50 0 BFAARM COc1ccc(-c2nc(C)sc2C(=O)[O-])cc1 ZINC000021986891 175038340 /nfs/dbraw/zinc/03/83/40/175038340.db2.gz BQLIKXZEPKDJHD-UHFFFAOYSA-N -1 0 249.291 2.825 50 0 BFAARM COc1ccc(/C(=C/C(=O)[O-])C2CC2)cc1C ZINC000011628549 175045813 /nfs/dbraw/zinc/04/58/13/175045813.db2.gz GDWLFISSBPQAPT-XYOKQWHBSA-N -1 0 232.279 2.882 50 0 BFAARM COc1ccc(C([O-])=C2CCCCC2=O)cc1 ZINC000000500026 175066304 /nfs/dbraw/zinc/06/63/04/175066304.db2.gz SYMNQDJTFGCPSF-LBPRGKRZSA-N -1 0 232.279 2.637 50 0 BFAARM COc1ccc(C(F)(F)F)cc1CCC(=O)[O-] ZINC000038529999 175069917 /nfs/dbraw/zinc/06/99/17/175069917.db2.gz MKAOQVAYYRNIFO-UHFFFAOYSA-N -1 0 248.200 2.731 50 0 BFAARM COc1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC000004536039 175151862 /nfs/dbraw/zinc/15/18/62/175151862.db2.gz GDCRSJACHLLDEW-UHFFFAOYSA-N -1 0 247.250 2.599 50 0 BFAARM COc1ccc([C@H](CC(=O)[O-])C2CC2)cc1C ZINC000011628831 175190564 /nfs/dbraw/zinc/19/05/64/175190564.db2.gz REQZEHJNXWOINF-GFCCVEGCSA-N -1 0 234.295 2.972 50 0 BFAARM COc1ccc2c(=O)cc(C(F)(F)F)[n-]c2c1 ZINC000032264553 175205670 /nfs/dbraw/zinc/20/56/70/175205670.db2.gz SOHIYSRJLNWZFZ-UHFFFAOYSA-N -1 0 243.184 2.968 50 0 BFAARM COc1ccccc1-c1nc(C)c(C(=O)[O-])s1 ZINC000005175348 175310833 /nfs/dbraw/zinc/31/08/33/175310833.db2.gz INVCLUFEKIDXBW-UHFFFAOYSA-N -1 0 249.291 2.825 50 0 BFAARM COc1ccccc1C1(C(=O)[O-])CCCC1 ZINC000020429452 175320161 /nfs/dbraw/zinc/32/01/61/175320161.db2.gz CWFCTYBNHJXKCV-UHFFFAOYSA-N -1 0 220.268 2.592 50 0 BFAARM COc1ccccc1OCc1cc(C(=O)[O-])co1 ZINC000004992562 175341866 /nfs/dbraw/zinc/34/18/66/175341866.db2.gz FSDGPLUOJFBNLG-UHFFFAOYSA-N -1 0 248.234 2.565 50 0 BFAARM CSC(=S)[N-]c1ccc(F)cc1 ZINC000004107736 175441672 /nfs/dbraw/zinc/44/16/72/175441672.db2.gz 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/nfs/dbraw/zinc/30/77/51/343307751.db2.gz SHCKKENSUDTLMS-JGVFFNPUSA-N -1 0 230.185 2.894 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037380881 343344213 /nfs/dbraw/zinc/34/42/13/343344213.db2.gz IBXCFDILOTYDLI-RKDXNWHRSA-N -1 0 230.185 2.894 50 0 BFAARM O=C([O-])c1cc(Cl)c(Br)s1 ZINC000039294204 343388519 /nfs/dbraw/zinc/38/85/19/343388519.db2.gz KDAAIEHVVGYWRT-UHFFFAOYSA-N -1 0 241.493 2.862 50 0 BFAARM O=C([O-])c1cccc(-c2cc(F)cc(F)c2)n1 ZINC000041265021 343417661 /nfs/dbraw/zinc/41/76/61/343417661.db2.gz RPBRVJLENUJJBZ-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM O=C([O-])[C@@]12CC=CC[C@H]1CCc1ccccc12 ZINC000044126409 343492724 /nfs/dbraw/zinc/49/27/24/343492724.db2.gz VPIKHFWERATWBS-WFASDCNBSA-N -1 0 228.291 2.921 50 0 BFAARM Cc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])cc1C ZINC000043214303 343466348 /nfs/dbraw/zinc/46/63/48/343466348.db2.gz PHIVZYIHGJWKOG-SECBINFHSA-N -1 0 234.295 2.987 50 0 BFAARM O=C([O-])c1cccc(NCC2CCCCC2)n1 ZINC000047476135 343562450 /nfs/dbraw/zinc/56/24/50/343562450.db2.gz TXXMEVVVCMGTER-UHFFFAOYSA-N -1 0 234.299 2.772 50 0 BFAARM COc1cc(Cl)c([S@@](=O)[O-])cc1Cl ZINC000082549933 537806420 /nfs/dbraw/zinc/80/64/20/537806420.db2.gz CTJXQYSPITYXOS-UHFFFAOYSA-N -1 0 241.095 2.583 50 0 BFAARM CCCCC[C@@H]1C(=O)CC[C@H]1CC(=O)[O-] ZINC000003978810 343760365 /nfs/dbraw/zinc/76/03/65/343760365.db2.gz PQEYTAGBXNEUQL-UWVGGRQHSA-N -1 0 212.289 2.637 50 0 endogenous,in-man BFAARM CCCCOc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000091252016 344279088 /nfs/dbraw/zinc/27/90/88/344279088.db2.gz CSCQGLAJIXARHJ-UHFFFAOYSA-N -1 0 230.210 2.842 50 0 BFAARM Cc1ncccc1-c1cccc(C(=O)[O-])c1 ZINC000139846381 537846472 /nfs/dbraw/zinc/84/64/72/537846472.db2.gz UPVVYMWCLNMXFO-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1c(Br)cc(F)cc1C(=O)[O-] ZINC000089064167 537875897 /nfs/dbraw/zinc/87/58/97/537875897.db2.gz AAKUFRPQXGQYHN-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM Cc1cccc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c1C ZINC000002574469 179027493 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-1 0 233.223 2.900 50 0 BFAARM O=C([O-])c1cccc2ccc(Cl)nc21 ZINC000026507239 357159394 /nfs/dbraw/zinc/15/93/94/357159394.db2.gz MDJCCDPEWOWYIJ-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CCOc1nc2ccccc2cc1/C=C\C(=O)[O-] ZINC000006473123 359317735 /nfs/dbraw/zinc/31/77/35/359317735.db2.gz NWIXTYOMOKXFNS-FPLPWBNLSA-N -1 0 243.262 2.731 50 0 BFAARM Cc1cc(C)cc(C(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000015441738 200652292 /nfs/dbraw/zinc/65/22/92/200652292.db2.gz ZIAFOVWJWRSOIR-NSHDSACASA-N -1 0 234.295 2.987 50 0 BFAARM COc1c2c(c(C)cc1C(=O)[O-])[C@@H](C)CC2 ZINC000019909608 368373438 /nfs/dbraw/zinc/37/34/38/368373438.db2.gz DVYGMMRMKMVYCN-ZETCQYMHSA-N -1 0 220.268 2.752 50 0 BFAARM O=C([O-])[C@@H]1CC[C@H](CC(=O)c2ccccc2)C1 ZINC000043879042 182030898 /nfs/dbraw/zinc/03/08/98/182030898.db2.gz KUSALHNDZJBSBH-CMPLNLGQSA-N -1 0 232.279 2.760 50 0 BFAARM Cc1ccnc2c(NC[C@H](C)C(=O)[O-])cccc12 ZINC000039932644 373062964 /nfs/dbraw/zinc/06/29/64/373062964.db2.gz LOEGAEPXCIYIHV-JTQLQIEISA-N -1 0 244.294 2.676 50 0 BFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000000397876 182377250 /nfs/dbraw/zinc/37/72/50/182377250.db2.gz CMLOGIAOLIBOQF-NWDGAFQWSA-N -1 0 247.294 2.516 50 0 BFAARM O=C([O-])/C=C\c1ccc(Br)cc1 ZINC000006095034 182414956 /nfs/dbraw/zinc/41/49/56/182414956.db2.gz CPDDDTNAMBSPRN-UTCJRWHESA-N -1 0 227.057 2.547 50 0 BFAARM O=C([O-])C1=C(C(=O)Nc2ccccc2)CCCC1 ZINC000000130395 182427345 /nfs/dbraw/zinc/42/73/45/182427345.db2.gz GZMRDYPORXXQFK-UHFFFAOYSA-N -1 0 245.278 2.580 50 0 BFAARM O=C([O-])CC1(Cn2cccc2)CCCCC1 ZINC000043413947 182430958 /nfs/dbraw/zinc/43/09/58/182430958.db2.gz XXNDUIXDKVSOHW-UHFFFAOYSA-N -1 0 221.300 2.913 50 0 BFAARM O=C([O-])CCCCC(=O)c1ccccc1F ZINC000002378736 182436284 /nfs/dbraw/zinc/43/62/84/182436284.db2.gz JPJMJONIHWUMRZ-UHFFFAOYSA-N -1 0 224.231 2.653 50 0 BFAARM O=C([O-])CCc1ccc(F)cc1Br ZINC000034564927 182454468 /nfs/dbraw/zinc/45/44/68/182454468.db2.gz VHFQIJJCQTZKFK-UHFFFAOYSA-N -1 0 247.063 2.605 50 0 BFAARM O=C([O-])[C@H](Cc1ccccn1)c1ccc(F)cc1 ZINC000011570637 182527233 /nfs/dbraw/zinc/52/72/33/182527233.db2.gz GNTKFBQRFBTPAS-CYBMUJFWSA-N -1 0 245.253 2.632 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000000215403 182521411 /nfs/dbraw/zinc/52/14/11/182521411.db2.gz DPBUJVBXRABXRH-DTWKUNHWSA-N -1 0 241.084 2.637 50 0 BFAARM O=C([O-])c1cc(Cl)c2cc(F)ccc2n1 ZINC000071025648 182554770 /nfs/dbraw/zinc/55/47/70/182554770.db2.gz NKWCQHUSWMEVHN-UHFFFAOYSA-N -1 0 225.606 2.726 50 0 BFAARM O=C([O-])c1ccc(Oc2ccccc2F)nc1 ZINC000022215850 182570726 /nfs/dbraw/zinc/57/07/26/182570726.db2.gz OZZNBLMFROTCHT-UHFFFAOYSA-N -1 0 233.198 2.711 50 0 BFAARM O=C([O-])c1ccc2cc(Cl)cnc2c1 ZINC000253496110 182573980 /nfs/dbraw/zinc/57/39/80/182573980.db2.gz GHHXBQGKTNFDEH-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1ccc(-c2cccc(F)c2)nc1 ZINC000035630083 182562596 /nfs/dbraw/zinc/56/25/96/182562596.db2.gz OYDONGYKOJEHSZ-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])c1ccn2cc(-c3ccccc3)nc2c1 ZINC000001606770 182585181 /nfs/dbraw/zinc/58/51/81/182585181.db2.gz LVBKJPNJRHJALB-UHFFFAOYSA-N -1 0 238.246 2.700 50 0 BFAARM O=C([O-])c1cnc2ccccc2c1C(F)(F)F ZINC000012505590 182590493 /nfs/dbraw/zinc/59/04/93/182590493.db2.gz DPBXCLYXJCGTOU-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])c1cccc(NC(=O)c2ccccc2)c1 ZINC000000098489 182577660 /nfs/dbraw/zinc/57/76/60/182577660.db2.gz WXTOAZQBWHSIQN-UHFFFAOYSA-N -1 0 241.246 2.637 50 0 BFAARM O=C([O-])c1ccccc1-c1ccccc1CO ZINC000002017210 182580005 /nfs/dbraw/zinc/58/00/05/182580005.db2.gz SPNSKYPCPQHXRA-UHFFFAOYSA-N -1 0 228.247 2.544 50 0 BFAARM O=C([O-])c1csc(Cc2cccc(F)c2)n1 ZINC000040677465 182593593 /nfs/dbraw/zinc/59/35/93/182593593.db2.gz OBSHPOPFNXHHLX-UHFFFAOYSA-N -1 0 237.255 2.571 50 0 BFAARM O=Cc1ccc(-c2cccc(C(=O)[O-])c2)s1 ZINC000004312916 182865758 /nfs/dbraw/zinc/86/57/58/182865758.db2.gz VIKAAKFSYUCLTJ-UHFFFAOYSA-N -1 0 232.260 2.926 50 0 BFAARM O=c1ccc2c(Cl)cc(Cl)c([O-])c2[nH]1 ZINC000000231932 183001534 /nfs/dbraw/zinc/00/15/34/183001534.db2.gz GTJHOLJWDBBRHN-UHFFFAOYSA-N -1 0 230.050 2.541 50 0 BFAARM O=c1c2c([n-]n1-c1ccc(F)cc1)CCCC2 ZINC000100021539 183255208 /nfs/dbraw/zinc/25/52/08/183255208.db2.gz RFQOIJOCTAHDQI-UHFFFAOYSA-N -1 0 232.258 2.596 50 0 BFAARM [O-]c1cc(Br)c(Cl)cc1F ZINC000263624460 183256434 /nfs/dbraw/zinc/25/64/34/183256434.db2.gz QSKPPUUBUALOCQ-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM CCCc1cc(-c2nc(C(=O)[O-])cs2)ccn1 ZINC000008992595 169562396 /nfs/dbraw/zinc/56/23/96/169562396.db2.gz DATHWVWCDMQCMA-UHFFFAOYSA-N -1 0 248.307 2.856 50 0 BFAARM O=C([O-])Cc1ccc(-c2ccccc2)cc1 ZINC000000002318 383818022 /nfs/dbraw/zinc/81/80/22/383818022.db2.gz QRZAKQDHEVVFRX-UHFFFAOYSA-N -1 0 212.248 2.981 50 0 world BFAARM CC(C)(C)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000031534 383819538 /nfs/dbraw/zinc/81/95/38/383819538.db2.gz JGWXRSSZVQEDGI-UHFFFAOYSA-N -1 0 249.310 2.787 50 0 BFAARM Cc1ccc(-c2n[n-][nH]c2=S)c(C)c1 ZINC000000072496 383822158 /nfs/dbraw/zinc/82/21/58/383822158.db2.gz WZTMIYCJTAUZFP-VIFPVBQESA-N -1 0 205.286 2.642 50 0 BFAARM O=C([O-])/C=C/c1cccc(OC(F)(F)F)c1 ZINC000000153626 383836554 /nfs/dbraw/zinc/83/65/54/383836554.db2.gz CLKZZEYGXRWYNI-SNAWJCMRSA-N -1 0 232.157 2.683 50 0 BFAARM O=C([O-])CSCc1nc2ccccc2s1 ZINC000000241380 383845587 /nfs/dbraw/zinc/84/55/87/383845587.db2.gz AVOKVWUHYIHZBD-UHFFFAOYSA-N -1 0 239.321 2.614 50 0 BFAARM O=C([O-])C[C@H]1Cc2cccc3cccc1c23 ZINC000000330086 383852939 /nfs/dbraw/zinc/85/29/39/383852939.db2.gz SPKBPOIDADRUPI-LLVKDONJSA-N -1 0 212.248 2.954 50 0 BFAARM CC[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC000000359096 383860380 /nfs/dbraw/zinc/86/03/80/383860380.db2.gz JHXIYIRARDDHJU-SECBINFHSA-N -1 0 208.257 2.664 50 0 BFAARM O=C([O-])/C=C/c1cccc(C(F)(F)F)c1 ZINC000000119696 383830757 /nfs/dbraw/zinc/83/07/57/383830757.db2.gz KSBWHDDGWSYETA-SNAWJCMRSA-N -1 0 216.158 2.803 50 0 in-vitro BFAARM Cc1nc(-c2ccccc2)sc1C(=O)[O-] ZINC000000122847 383830882 /nfs/dbraw/zinc/83/08/82/383830882.db2.gz CRSMRBYEBHOYRM-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])COc1ccccc1-c1ccccc1 ZINC000001448462 383899256 /nfs/dbraw/zinc/89/92/56/383899256.db2.gz MAKUMOXHJKKTDP-UHFFFAOYSA-N -1 0 228.247 2.817 50 0 BFAARM O=C([O-])c1nc(-c2ccccc2)cs1 ZINC000001512605 383902604 /nfs/dbraw/zinc/90/26/04/383902604.db2.gz ORSGNNVYFOPYKB-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])CCCCCCCCCCCO ZINC000001531061 383902806 /nfs/dbraw/zinc/90/28/06/383902806.db2.gz ZDHCZVWCTKTBRY-UHFFFAOYSA-N -1 0 216.321 2.964 50 0 endogenous,in-man BFAARM Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000002574455 383978540 /nfs/dbraw/zinc/97/85/40/383978540.db2.gz VWUABZLEGQFYQH-VXGBXAGGSA-N -1 0 232.279 2.679 50 0 BFAARM O=C([O-])/C=C/c1csc2ccccc12 ZINC000002575243 383978863 /nfs/dbraw/zinc/97/88/63/383978863.db2.gz OCCNZXOFXUAHOB-AATRIKPKSA-N -1 0 204.250 2.999 50 0 BFAARM Cc1cc(C)cc(C(=O)CCCC(=O)[O-])c1 ZINC000002378652 383958873 /nfs/dbraw/zinc/95/88/73/383958873.db2.gz SXRAQQMGZKWORM-UHFFFAOYSA-N -1 0 220.268 2.741 50 0 BFAARM Cc1ccc(C)c(C(=O)CCCC(=O)[O-])c1 ZINC000002378616 383959579 /nfs/dbraw/zinc/95/95/79/383959579.db2.gz WPIYXOJXHQGKKO-UHFFFAOYSA-N -1 0 220.268 2.741 50 0 BFAARM Cc1cccc(C(=O)CCCCC(=O)[O-])c1 ZINC000002378642 383960043 /nfs/dbraw/zinc/96/00/43/383960043.db2.gz LQABYSMUDKVHCO-UHFFFAOYSA-N -1 0 220.268 2.823 50 0 BFAARM CO[C@](C)(C(=O)[O-])c1cccc2ccccc21 ZINC000002506662 383967428 /nfs/dbraw/zinc/96/74/28/383967428.db2.gz YVWMPILNFZOQSZ-AWEZNQCLSA-N -1 0 230.263 2.786 50 0 BFAARM O=C([O-])CCCC(=O)c1ccccc1Cl ZINC000002518018 383969503 /nfs/dbraw/zinc/96/95/03/383969503.db2.gz LRWPDZKEHJFYFD-UHFFFAOYSA-N -1 0 226.659 2.778 50 0 BFAARM Cc1ccc(OC(C)(C)C(=O)[O-])cc1C ZINC000002557831 383974234 /nfs/dbraw/zinc/97/42/34/383974234.db2.gz YQKAJORFGHOODL-UHFFFAOYSA-N -1 0 208.257 2.545 50 0 BFAARM O=C([O-])/C=C/c1ccc(C(F)(F)F)cc1F ZINC000002560186 383975964 /nfs/dbraw/zinc/97/59/64/383975964.db2.gz HWBLGORXWYIISR-DUXPYHPUSA-N -1 0 234.148 2.942 50 0 BFAARM Cc1cc(C)c(C)c2[nH]c(C(=O)[O-])cc21 ZINC000003748695 384025897 /nfs/dbraw/zinc/02/58/97/384025897.db2.gz CDZKEBOPHBEZGX-UHFFFAOYSA-N -1 0 203.241 2.791 50 0 BFAARM O=C([O-])CCCNc1nc2ccccc2s1 ZINC000004218207 384047519 /nfs/dbraw/zinc/04/75/19/384047519.db2.gz WSZSGKXXFYVFAU-UHFFFAOYSA-N -1 0 236.296 2.573 50 0 BFAARM O=C([O-])C1(Nc2ccccc2)CCCCC1 ZINC000004244917 384050685 /nfs/dbraw/zinc/05/06/85/384050685.db2.gz OTNSACVQMVZOHD-UHFFFAOYSA-N -1 0 219.284 2.886 50 0 BFAARM O=C([O-])c1ccc2[nH]c(-c3cccs3)nc2c1 ZINC000004243810 384051092 /nfs/dbraw/zinc/05/10/92/384051092.db2.gz HNBAEALJFFNPFK-UHFFFAOYSA-N -1 0 244.275 2.990 50 0 BFAARM Cc1cc(C)c2nc(C)cc(C(=O)[O-])c2c1 ZINC000004487102 384063805 /nfs/dbraw/zinc/06/38/05/384063805.db2.gz AODVVXXIFHFAMN-UHFFFAOYSA-N -1 0 215.252 2.858 50 0 BFAARM Cc1ccc(OC(F)(F)F)cc1CC(=O)[O-] ZINC000091252056 384111465 /nfs/dbraw/zinc/11/14/65/384111465.db2.gz NBWWHUPWMQKJLK-UHFFFAOYSA-N -1 0 234.173 2.521 50 0 BFAARM O=C([O-])c1c2ccccn2nc1-c1ccccc1 ZINC000039320643 384111803 /nfs/dbraw/zinc/11/18/03/384111803.db2.gz RODMDGXKDAYPMU-UHFFFAOYSA-N -1 0 238.246 2.700 50 0 BFAARM CC(C)(Oc1cccc(Cl)c1)C(=O)[O-] ZINC000005439160 384115778 /nfs/dbraw/zinc/11/57/78/384115778.db2.gz PZBIVIXQLIVFHJ-UHFFFAOYSA-N -1 0 214.648 2.582 50 0 BFAARM O=C([O-])CCCc1ccccc1Br ZINC000039603420 384115994 /nfs/dbraw/zinc/11/59/94/384115994.db2.gz GUSZDDKXBDHOLW-UHFFFAOYSA-N -1 0 243.100 2.856 50 0 BFAARM Cc1cc(C)c2c(c1)nc(C)cc2C(=O)[O-] ZINC000005488670 384119059 /nfs/dbraw/zinc/11/90/59/384119059.db2.gz NQKOJRQDEGEPIG-UHFFFAOYSA-N -1 0 215.252 2.858 50 0 BFAARM CC/C(=C\c1cccc(OC)c1)C(=O)[O-] ZINC000005614136 384125509 /nfs/dbraw/zinc/12/55/09/384125509.db2.gz ABNHVVQGSBZSMS-JXMROGBWSA-N -1 0 206.241 2.573 50 0 BFAARM O=C([O-])C[C@@H](Nc1ccccn1)c1ccccc1 ZINC000070641670 384127128 /nfs/dbraw/zinc/12/71/28/384127128.db2.gz BMERVCBNHVDTAS-GFCCVEGCSA-N -1 0 242.278 2.710 50 0 BFAARM CCC[C@@H](Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000005952198 384140437 /nfs/dbraw/zinc/14/04/37/384140437.db2.gz CBGZZDWFWLXZEU-SNVBAGLBSA-N -1 0 228.675 2.972 50 0 BFAARM CCOc1ccc(CC(=O)[O-])cc1C(F)(F)F ZINC000071867339 384184923 /nfs/dbraw/zinc/18/49/23/384184923.db2.gz WRQKZAJHRRGAJO-UHFFFAOYSA-N -1 0 248.200 2.731 50 0 BFAARM O=C([O-])C1Oc2ccccc2-c2ccccc2O1 ZINC000071773419 384177803 /nfs/dbraw/zinc/17/78/03/384177803.db2.gz FWCHGTYNXRHIAZ-UHFFFAOYSA-N -1 0 242.230 2.536 50 0 BFAARM O=C([O-])[C@H](Cc1ccccc1)c1ccc(O)cc1 ZINC000071773978 384178456 /nfs/dbraw/zinc/17/84/56/384178456.db2.gz YQRXIILIXJKTKC-CQSZACIVSA-N -1 0 242.274 2.803 50 0 BFAARM Cc1ccc(Oc2cccc(C(=O)[O-])n2)c(C)n1 ZINC000072323935 384208105 /nfs/dbraw/zinc/20/81/05/384208105.db2.gz GXKAKVOTHVBHQE-UHFFFAOYSA-N -1 0 244.250 2.584 50 0 BFAARM O=C([O-])c1nccc2ccc(Cl)cc21 ZINC000074178420 384249193 /nfs/dbraw/zinc/24/91/93/384249193.db2.gz ARMPFNMUGIMORU-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM Cc1c(F)cccc1C(=O)CCCC(=O)[O-] ZINC000043214210 384263645 /nfs/dbraw/zinc/26/36/45/384263645.db2.gz AHESMXJVZMIJGT-UHFFFAOYSA-N -1 0 224.231 2.572 50 0 BFAARM O=C([O-])C[C@@H](c1ccc(F)cc1)C1CC1 ZINC000011628821 384293209 /nfs/dbraw/zinc/29/32/09/384293209.db2.gz QACZBOZZQZEAGE-LLVKDONJSA-N -1 0 208.232 2.794 50 0 BFAARM CC(C)CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000012917947 384342245 /nfs/dbraw/zinc/34/22/45/384342245.db2.gz KHURJBCMRMUQNJ-UHFFFAOYSA-N -1 0 241.718 2.822 50 0 BFAARM O=C([O-])C1(c2ccccc2C(F)(F)F)CC1 ZINC000075934292 384348606 /nfs/dbraw/zinc/34/86/06/384348606.db2.gz CQKNWCFXZVEBEO-UHFFFAOYSA-N -1 0 230.185 2.822 50 0 BFAARM Cc1nc(C(=O)[O-])c(Cc2ccccc2)s1 ZINC000095095467 384363706 /nfs/dbraw/zinc/36/37/06/384363706.db2.gz REXCZSJETIUQFU-UHFFFAOYSA-N -1 0 233.292 2.741 50 0 BFAARM CCc1ccc2nc(C)c(C(=O)[O-])cc2c1 ZINC000015015283 384413702 /nfs/dbraw/zinc/41/37/02/384413702.db2.gz WZUBVPVDDWQDFN-UHFFFAOYSA-N -1 0 215.252 2.804 50 0 BFAARM O=C([O-])Cc1ccc(Br)cc1Cl ZINC000078136889 384430844 /nfs/dbraw/zinc/43/08/44/384430844.db2.gz ZCWUQSVZPLUCOZ-UHFFFAOYSA-N -1 0 249.491 2.730 50 0 BFAARM CCC[C@]1(CC(=O)[O-])CCOC(C)(C)C1 ZINC000096113655 384437867 /nfs/dbraw/zinc/43/78/67/384437867.db2.gz JFKRDLLWUDENQB-GFCCVEGCSA-N -1 0 214.305 2.837 50 0 biogenic BFAARM O=C([O-])CCc1csc(-c2ccccc2)n1 ZINC000017192244 384483047 /nfs/dbraw/zinc/48/30/47/384483047.db2.gz ZBBKKEJUCZUZSN-UHFFFAOYSA-N -1 0 233.292 2.827 50 0 BFAARM Cc1nc(C(=O)[O-])cc2c3ccccc3[nH]c21 ZINC000019204246 384513874 /nfs/dbraw/zinc/51/38/74/384513874.db2.gz MFEZJNMQTQMDRQ-UHFFFAOYSA-N -1 0 226.235 2.723 50 0 biogenic,in-vitro BFAARM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[O-] ZINC000019803727 384540216 /nfs/dbraw/zinc/54/02/16/384540216.db2.gz ZXBVQYOLEDJCOA-JTQLQIEISA-N -1 0 228.675 2.828 50 0 BFAARM O=C([O-])c1cc(Cc2ccccc2Cl)no1 ZINC000082329921 384670264 /nfs/dbraw/zinc/67/02/64/384670264.db2.gz VJVKNGKTRDTLCG-UHFFFAOYSA-N -1 0 237.642 2.617 50 0 BFAARM Cc1ccc(SCc2cc(=O)n(C)[n-]2)cc1 ZINC000100912275 384658440 /nfs/dbraw/zinc/65/84/40/384658440.db2.gz SKBWAEWFAWZARX-UHFFFAOYSA-N -1 0 234.324 2.726 50 0 BFAARM Cc1cc(-c2ccc(C(=O)[O-])cc2)sn1 ZINC000083010652 384736441 /nfs/dbraw/zinc/73/64/41/384736441.db2.gz AQNUMPFWFDRHHK-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])c1nnc(-c2ccc(Cl)cc2)s1 ZINC000083339412 384759086 /nfs/dbraw/zinc/75/90/86/384759086.db2.gz DBKAYKXGCWPERS-UHFFFAOYSA-N -1 0 240.671 2.557 50 0 BFAARM O=c1c2c([n-]n1-c1cccc(Cl)c1)CCC2 ZINC000103752515 384784957 /nfs/dbraw/zinc/78/49/57/384784957.db2.gz ZHJFENNMPNDNBM-SNVBAGLBSA-N -1 0 234.686 2.843 50 0 BFAARM O=c1cc(C2CC2)[n-]n1-c1cccc(Cl)c1 ZINC000104153881 384805486 /nfs/dbraw/zinc/80/54/86/384805486.db2.gz UGYSZRFVNVNVBR-UHFFFAOYSA-N -1 0 234.686 2.843 50 0 BFAARM CC(C)(C(=O)[O-])c1cccc(Cl)c1F ZINC000084483443 384873595 /nfs/dbraw/zinc/87/35/95/384873595.db2.gz OKJWHHRJVVDCDQ-UHFFFAOYSA-N -1 0 216.639 2.841 50 0 BFAARM CC(C)C[C@H](Cc1ccn(C(C)C)n1)C(=O)[O-] ZINC000085167643 384926260 /nfs/dbraw/zinc/92/62/60/384926260.db2.gz JWJKTEDJKIFWNQ-LLVKDONJSA-N -1 0 238.331 2.753 50 0 BFAARM O=C(c1c([O-])cccc1F)N1CCC2(CCC2)C1 ZINC000129415001 384995229 /nfs/dbraw/zinc/99/52/29/384995229.db2.gz JUHMKPPSAXZKLV-UHFFFAOYSA-N -1 0 249.285 2.548 50 0 BFAARM CSc1nc2ccc(C(=O)[O-])cc2s1 ZINC000072233376 385132326 /nfs/dbraw/zinc/13/23/26/385132326.db2.gz KRBWNLSVRNILHF-UHFFFAOYSA-N -1 0 225.294 2.716 50 0 BFAARM O=C([O-])c1cc(-c2ccccc2O)cs1 ZINC000065340027 385301021 /nfs/dbraw/zinc/30/10/21/385301021.db2.gz NAEFBFBTJJDWFC-UHFFFAOYSA-N -1 0 220.249 2.819 50 0 BFAARM O=C([O-])c1ccc(F)c(-c2ccccc2CO)c1 ZINC000065349868 385301078 /nfs/dbraw/zinc/30/10/78/385301078.db2.gz DFDHDRLYIMVPGY-UHFFFAOYSA-N -1 0 246.237 2.683 50 0 BFAARM O=C([O-])c1c[nH]c(=O)c(-c2ccc(Cl)cc2)c1 ZINC000065347572 385301390 /nfs/dbraw/zinc/30/13/90/385301390.db2.gz ANDWTEUTDIJBOP-UHFFFAOYSA-N -1 0 249.653 2.806 50 0 BFAARM Cc1ccc(F)cc1-c1cccc(C(=O)[O-])n1 ZINC000065347442 385301439 /nfs/dbraw/zinc/30/14/39/385301439.db2.gz FEALANGWKJAJPK-UHFFFAOYSA-N -1 0 231.226 2.894 50 0 BFAARM O=C([O-])c1cc(-c2cccs2)ccn1 ZINC000065347020 385301778 /nfs/dbraw/zinc/30/17/78/385301778.db2.gz IMPKXJXBCMTGJU-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM CC(C)COc1cc(F)ccc1C(=O)[O-] ZINC000095730512 385610225 /nfs/dbraw/zinc/61/02/25/385610225.db2.gz JIOSGXRGDURBCR-UHFFFAOYSA-N -1 0 212.220 2.559 50 0 BFAARM CC[Si](CC)(CC)CC[P@@H](=O)[O-] ZINC000217534299 385886231 /nfs/dbraw/zinc/88/62/31/385886231.db2.gz IRPJNEIWLQPAJQ-UHFFFAOYSA-N -1 0 208.314 2.962 50 0 BFAARM O=C([O-])CCCC(Cl)(Cl)Cl ZINC000003209764 385876733 /nfs/dbraw/zinc/87/67/33/385876733.db2.gz FSXCYDFJXMGRDJ-UHFFFAOYSA-N -1 0 205.468 2.612 50 0 BFAARM CC(C)[C@@H](CC(=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000004046693 386686858 /nfs/dbraw/zinc/68/68/58/386686858.db2.gz BBWMQSIVQSDBJA-WDEREUQCSA-N -1 0 228.332 2.939 50 0 biogenic BFAARM O=C([O-])[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000084325023 386943940 /nfs/dbraw/zinc/94/39/40/386943940.db2.gz HMZNQCDCGOOMDO-NEPJUHHUSA-N -1 0 204.269 2.730 50 0 BFAARM Cc1cc(C)c(NC(=O)CCCC(=O)[O-])c(C)c1 ZINC000000235570 322809319 /nfs/dbraw/zinc/80/93/19/322809319.db2.gz JCMKHLBNWLOJJZ-UHFFFAOYSA-N -1 0 249.310 2.805 50 0 BFAARM CC[C@H](C)[C@H](C)Nc1nc(CC(=O)[O-])cs1 ZINC000087665287 387154744 /nfs/dbraw/zinc/15/47/44/387154744.db2.gz ZIIIKLCUTXJLGP-YUMQZZPRSA-N -1 0 242.344 2.617 50 0 BFAARM O=C([O-])C(=S)Cc1c[nH]c2ccccc12 ZINC000102075074 387471330 /nfs/dbraw/zinc/47/13/30/387471330.db2.gz ZIBMLXTXNHDVIO-YHYXMXQVSA-N -1 0 219.265 2.523 50 0 BFAARM Cc1cc(C)c(C)c(OCCCC(=O)[O-])c1 ZINC000011961047 177852262 /nfs/dbraw/zinc/85/22/62/177852262.db2.gz YFZBCHZZTFQGKH-UHFFFAOYSA-N -1 0 222.284 2.855 50 0 BFAARM Cc1cc(C(=O)[O-])ccc1-c1cncc(Cl)n1 ZINC000022005434 177823301 /nfs/dbraw/zinc/82/33/01/177823301.db2.gz VFJAUKRMTAPILA-UHFFFAOYSA-N -1 0 248.669 2.804 50 0 BFAARM Cc1cc(C(=O)[O-])c(F)cc1Br ZINC000026892879 177822767 /nfs/dbraw/zinc/82/27/67/177822767.db2.gz PJJJBQHQICIYJH-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM Cc1c2ccc(C)nc2sc1C(=O)[O-] ZINC000170090990 388258184 /nfs/dbraw/zinc/25/81/84/388258184.db2.gz SVACPAYDZRMRNE-UHFFFAOYSA-N -1 0 207.254 2.611 50 0 BFAARM O=C([O-])c1cccc(-c2n[nH]c3ccccc32)c1 ZINC000067919985 388408562 /nfs/dbraw/zinc/40/85/62/388408562.db2.gz FEOVMUZHGLJSAV-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM Cc1cc(Br)cc(C(=O)[O-])c1F ZINC000075852036 177722489 /nfs/dbraw/zinc/72/24/89/177722489.db2.gz PASLKUKYXZAJOF-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM CC[C@H]1CCCCN1c1ncccc1C(=O)[O-] ZINC000037022194 132343340 /nfs/dbraw/zinc/34/33/40/132343340.db2.gz ILXVQASGYIXMJJ-JTQLQIEISA-N -1 0 234.299 2.549 50 0 BFAARM CC(C)n1ccc2ccc(C(=O)[O-])cc21 ZINC000020550506 397966677 /nfs/dbraw/zinc/96/66/77/397966677.db2.gz WUGHVWTWRRQKDA-UHFFFAOYSA-N -1 0 203.241 2.920 50 0 biogenic BFAARM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000020392225 397963637 /nfs/dbraw/zinc/96/36/37/397963637.db2.gz NOGUBTGKXFAAGO-NEPJUHHUSA-N -1 0 204.269 2.998 50 0 BFAARM Cc1cc(Br)cc(C(=O)[O-])c1C ZINC000115162661 177723283 /nfs/dbraw/zinc/72/32/83/177723283.db2.gz ZCZLDHYJFFDDOE-UHFFFAOYSA-N -1 0 229.073 2.764 50 0 BFAARM CC(=O)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000012481092 166486830 /nfs/dbraw/zinc/48/68/30/166486830.db2.gz YUIIWTFBCSSENC-UHFFFAOYSA-N -1 0 235.264 2.506 50 0 BFAARM CC(C)OC([O-])=NC(=O)c1ccc(Cl)cc1 ZINC000000108042 167164637 /nfs/dbraw/zinc/16/46/37/167164637.db2.gz WKNOXQAMZZEBFY-UHFFFAOYSA-N -1 0 241.674 2.615 50 0 BFAARM CC1(C)CC[C@H](C(=O)[O-])c2ccccc21 ZINC000040740209 167939231 /nfs/dbraw/zinc/93/92/31/167939231.db2.gz WZXRUGMJTCDPDH-JTQLQIEISA-N -1 0 204.269 2.926 50 0 BFAARM CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)[O-] ZINC000004771404 168004487 /nfs/dbraw/zinc/00/44/87/168004487.db2.gz LLMLSUSAKZVFOA-INEUFUBQSA-N -1 0 209.072 2.662 50 0 in-vitro BFAARM CCC(=O)C=C([O-])c1cc(C)ccc1C ZINC000020375542 168198347 /nfs/dbraw/zinc/19/83/47/168198347.db2.gz FLRINUUTQVFRTR-UHFFFAOYSA-N -1 0 204.269 2.855 50 0 BFAARM CCOc1cc(C)nc(-c2ccccc2[O-])n1 ZINC000000300026 170520946 /nfs/dbraw/zinc/52/09/46/170520946.db2.gz QVZQYJUIBVNIAU-UHFFFAOYSA-N -1 0 230.267 2.556 50 0 BFAARM CCOc1ccc2oc(C(=O)[O-])c(C)c2c1 ZINC000003324547 170570804 /nfs/dbraw/zinc/57/08/04/170570804.db2.gz SYABQXBVFVPRJY-UHFFFAOYSA-N -1 0 220.224 2.838 50 0 BFAARM CCSc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000004255839 170654213 /nfs/dbraw/zinc/65/42/13/170654213.db2.gz CWQPKFWGOIESHG-UHFFFAOYSA-N -1 0 238.308 2.846 50 0 BFAARM CC[C@@H](Oc1cccc2c1CCCC2)C(=O)[O-] ZINC000226096339 170946248 /nfs/dbraw/zinc/94/62/48/170946248.db2.gz XHEBUTDBGWOAQC-GFCCVEGCSA-N -1 0 234.295 2.807 50 0 BFAARM CN(C)c1ccc2sc(=S)[n-]c2c1 ZINC000005686956 172564085 /nfs/dbraw/zinc/56/40/85/172564085.db2.gz MRNIVPAGSZPGDS-UHFFFAOYSA-N -1 0 210.327 2.651 50 0 BFAARM C[N-]C(=S)Sc1ccc(F)cc1F ZINC000000077187 173316727 /nfs/dbraw/zinc/31/67/27/173316727.db2.gz HMXOVJKWKSCWLS-UHFFFAOYSA-N -1 0 219.281 2.561 50 0 BFAARM COc1cc(O)cc(-c2cccc(C(=O)[O-])c2)c1 ZINC000065336987 175005483 /nfs/dbraw/zinc/00/54/83/175005483.db2.gz HBZVMOPBHNADOF-UHFFFAOYSA-N -1 0 244.246 2.766 50 0 BFAARM COc1cc2cc(C(=O)[O-])sc2cc1OC ZINC000001701061 175026103 /nfs/dbraw/zinc/02/61/03/175026103.db2.gz LIZUZUKHOVUSNS-UHFFFAOYSA-N -1 0 238.264 2.617 50 0 BFAARM COc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000044272126 175032594 /nfs/dbraw/zinc/03/25/94/175032594.db2.gz KWZDUJBEZOVBRB-UHFFFAOYSA-N -1 0 247.225 2.595 50 0 BFAARM COc1ccc(-c2cccc(C(=O)[O-])c2)c(O)c1 ZINC000065336990 175034583 /nfs/dbraw/zinc/03/45/83/175034583.db2.gz SGIRAIBKNTZLQA-UHFFFAOYSA-N -1 0 244.246 2.766 50 0 BFAARM COc1ccc(/C=C/C(C)=C\C(=O)[O-])c(OC)c1 ZINC000001214926 175047007 /nfs/dbraw/zinc/04/70/07/175047007.db2.gz VYGXWZWHPWTGRW-OOFLMXFCSA-N -1 0 248.278 2.748 50 0 BFAARM COc1ccc(NC2(C(=O)[O-])CCCCC2)cc1 ZINC000002545013 175149597 /nfs/dbraw/zinc/14/95/97/175149597.db2.gz NZMAVUAAODMKSH-UHFFFAOYSA-N -1 0 249.310 2.895 50 0 BFAARM COc1ccc2c(cccc2C(=O)[O-])c1 ZINC000000399024 175203464 /nfs/dbraw/zinc/20/34/64/175203464.db2.gz WRZAWKSSADRYTA-UHFFFAOYSA-N -1 0 202.209 2.547 50 0 BFAARM COc1ccc2cc(C(=O)[O-])sc2c1 ZINC000033358832 175223788 /nfs/dbraw/zinc/22/37/88/175223788.db2.gz XTXMOIBADXDEKF-UHFFFAOYSA-N -1 0 208.238 2.608 50 0 BFAARM COc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000012336801 175235946 /nfs/dbraw/zinc/23/59/46/175235946.db2.gz AQWFWIIMHLYERJ-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM COc1ccccc1-c1ccc(C(=O)[O-])o1 ZINC000000265874 175309102 /nfs/dbraw/zinc/30/91/02/175309102.db2.gz CHWVDGYLKPLBES-UHFFFAOYSA-N -1 0 218.208 2.653 50 0 biogenic,in-vivo BFAARM COc1ccccc1OCc1ccoc1C(=O)[O-] ZINC000000282606 175341681 /nfs/dbraw/zinc/34/16/81/175341681.db2.gz SIFKXTRDXYRSQK-UHFFFAOYSA-N -1 0 248.234 2.565 50 0 BFAARM COc1ccccc1OCc1ccc(C(=O)[O-])o1 ZINC000002570273 175341963 /nfs/dbraw/zinc/34/19/63/175341963.db2.gz XJPSQFNUKMCBOD-UHFFFAOYSA-N -1 0 248.234 2.565 50 0 BFAARM CSc1sc(C(=O)[O-])c2c1C(=O)CCC2 ZINC000004338429 175593646 /nfs/dbraw/zinc/59/36/46/175593646.db2.gz YUEPFPUBEDTMTC-UHFFFAOYSA-N -1 0 242.321 2.687 50 0 BFAARM C[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000037462488 176722726 /nfs/dbraw/zinc/72/27/26/176722726.db2.gz WAXFQFBSRDYONP-SSDOTTSWSA-N -1 0 243.100 2.712 50 0 BFAARM C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000006007559 177023031 /nfs/dbraw/zinc/02/30/31/177023031.db2.gz DNJHPYCYAWQQGH-LURJTMIESA-N -1 0 234.173 2.557 50 0 BFAARM C[C@H](Oc1ccccc1F)c1n[n-]c(=S)o1 ZINC000006651984 177024618 /nfs/dbraw/zinc/02/46/18/177024618.db2.gz LINKAHPMWFUZGI-LURJTMIESA-N -1 0 240.259 2.637 50 0 BFAARM Cc1[nH]c2ccccc2c1C(=O)CCC(=O)[O-] ZINC000000771797 177513603 /nfs/dbraw/zinc/51/36/03/177513603.db2.gz FGIUWODBLHYDDM-UHFFFAOYSA-N -1 0 231.251 2.524 50 0 biogenic BFAARM Cc1nn(C)c(C(=O)[O-])c1-c1cc(C)cc(F)c1 ZINC000534652367 323157595 /nfs/dbraw/zinc/15/75/95/323157595.db2.gz QHXPIDSCDZGWJF-UHFFFAOYSA-N -1 0 248.257 2.541 50 0 BFAARM CCCc1sc(C(=O)[O-])cc1-c1cncnc1 ZINC000534663944 323159188 /nfs/dbraw/zinc/15/91/88/323159188.db2.gz AQJGMIGCYFCQSX-UHFFFAOYSA-N -1 0 248.307 2.856 50 0 BFAARM CC(C)Oc1ccccc1C(F)(F)C(=O)[O-] ZINC000087511590 519783888 /nfs/dbraw/zinc/78/38/88/519783888.db2.gz YIAOVOKKRKGEEZ-UHFFFAOYSA-N -1 0 230.210 2.650 50 0 BFAARM CC(C)[C@H]1OC(=O)C(c2ccccc2)=C1[O-] ZINC000390825673 519828373 /nfs/dbraw/zinc/82/83/73/519828373.db2.gz XANGDIIGISVPEG-GFCCVEGCSA-N -1 0 218.252 2.537 50 0 BFAARM COc1cc(/C=C\C(=O)[O-])ccc1C(F)(F)F ZINC000390822751 521979808 /nfs/dbraw/zinc/97/98/08/521979808.db2.gz IVXAOALQRRBBLF-HYXAFXHYSA-N -1 0 246.184 2.812 50 0 BFAARM O=C([O-])C(=O)c1ccc(-c2ccccc2)cc1 ZINC000001733969 566258513 /nfs/dbraw/zinc/25/85/13/566258513.db2.gz DRFCZRDAUHIVIG-UHFFFAOYSA-N -1 0 226.231 2.621 50 0 BFAARM C[C@@]1(c2ccc(C(=O)[O-])cc2)CC1(F)F ZINC000757122894 582497630 /nfs/dbraw/zinc/49/76/30/582497630.db2.gz ZIIWLNDOLOJNHX-JTQLQIEISA-N -1 0 212.195 2.682 50 0 BFAARM O=C([O-])c1nc(-c2ccccc2Cl)ns1 ZINC000082327349 631975340 /nfs/dbraw/zinc/97/53/40/631975340.db2.gz PBRPWAJKSGBFOK-UHFFFAOYSA-N -1 0 240.671 2.557 50 0 BFAARM CSc1sc(SC)c(C(=O)[O-])c1C=O ZINC000000223846 642761588 /nfs/dbraw/zinc/76/15/88/642761588.db2.gz UTUYPQJLQYAIMD-UHFFFAOYSA-N -1 0 248.350 2.703 50 0 BFAARM O=C(c1ccc([O-])c(Br)c1)C1CC1 ZINC000088120928 644510092 /nfs/dbraw/zinc/51/00/92/644510092.db2.gz WTGKVVRZFZCZOI-UHFFFAOYSA-N -1 0 241.084 2.747 50 0 BFAARM Cc1cc(NC(=O)C2CC=CC2)ccc1C(=O)[O-] ZINC000085159788 178125683 /nfs/dbraw/zinc/12/56/83/178125683.db2.gz DYLBOCYSPKINHW-UHFFFAOYSA-N -1 0 245.278 2.598 50 0 BFAARM COC(=O)C=C([O-])c1cc(Cl)ccc1Cl ZINC000084193707 398204045 /nfs/dbraw/zinc/20/40/45/398204045.db2.gz MALONIFXTCFWPR-UHFFFAOYSA-N -1 0 247.077 2.739 50 0 BFAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(C)n1 ZINC000008702958 178191582 /nfs/dbraw/zinc/19/15/82/178191582.db2.gz DNTSMZBHYGKWCO-UHFFFAOYSA-N -1 0 243.266 2.535 50 0 BFAARM Cc1cc(=O)n2[n-]cc(-c3ccc(F)cc3)c2n1 ZINC000101029891 178201769 /nfs/dbraw/zinc/20/17/69/178201769.db2.gz SWVXCQOJEPKDNY-UHFFFAOYSA-N -1 0 243.241 2.549 50 0 BFAARM Cc1cc(OCCC(=O)[O-])ccc1Cl ZINC000000334861 178210146 /nfs/dbraw/zinc/21/01/46/178210146.db2.gz FFOVYPZWPLFBCO-UHFFFAOYSA-N -1 0 214.648 2.502 50 0 BFAARM O=C([O-])c1ccccc1NCc1ccco1 ZINC000000113222 342674982 /nfs/dbraw/zinc/67/49/82/342674982.db2.gz CKOPWCOBXHDAOZ-UHFFFAOYSA-N -1 0 217.224 2.590 50 0 in-vitro BFAARM O=C([O-])c1ccccc1NC(=O)C1CCCCC1 ZINC000000240954 342681143 /nfs/dbraw/zinc/68/11/43/342681143.db2.gz TVONCUQFOOJSCC-UHFFFAOYSA-N -1 0 247.294 2.904 50 0 BFAARM Cc1ccc2cc(C(=O)[O-])c(Cl)nc2c1 ZINC000000269786 342681787 /nfs/dbraw/zinc/68/17/87/342681787.db2.gz KIVCVRKPLHOFGB-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM O=C([O-])c1ccc(NCc2ccccc2)cc1 ZINC000000392253 342686033 /nfs/dbraw/zinc/68/60/33/342686033.db2.gz NYNAMTQEBMCHNG-UHFFFAOYSA-N -1 0 227.263 2.997 50 0 BFAARM CSc1c2ccccc2n(C)c1CC(=O)[O-] ZINC000000052645 342671610 /nfs/dbraw/zinc/67/16/10/342671610.db2.gz WQWDWRNNBRSVMJ-UHFFFAOYSA-N -1 0 235.308 2.527 50 0 BFAARM O=C([O-])c1cccnc1Nc1cccc(F)c1 ZINC000001329562 342699020 /nfs/dbraw/zinc/69/90/20/342699020.db2.gz HCEHASQDYHUQAD-UHFFFAOYSA-N -1 0 232.214 2.663 50 0 BFAARM O=C([O-])c1ccccc1C(=O)Cc1ccccc1 ZINC000001594157 342704703 /nfs/dbraw/zinc/70/47/03/342704703.db2.gz NJXDTGLUPRKMFN-UHFFFAOYSA-N -1 0 240.258 2.810 50 0 BFAARM CC(C)(C)C(=O)CCCCCC(=O)[O-] ZINC000002378788 342719390 /nfs/dbraw/zinc/71/93/90/342719390.db2.gz AOVHCOMMGZKIIE-UHFFFAOYSA-N -1 0 200.278 2.637 50 0 BFAARM O=C([O-])c1cc(Cl)c2ccccc2n1 ZINC000001722733 342711054 /nfs/dbraw/zinc/71/10/54/342711054.db2.gz XDHVXNYIJMSNIQ-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C(c1ccccc1)c1cc(F)ccc1[O-] ZINC000002243254 342717419 /nfs/dbraw/zinc/71/74/19/342717419.db2.gz BLAFMYLJPCNAIP-UHFFFAOYSA-N -1 0 216.211 2.762 50 0 BFAARM O=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000004219067 342744679 /nfs/dbraw/zinc/74/46/79/342744679.db2.gz WYRSPZVTTMUNBL-UHFFFAOYSA-N -1 0 210.232 2.956 50 0 BFAARM Cc1cc(Br)cc(F)c1C(=O)[O-] ZINC000083428739 398281582 /nfs/dbraw/zinc/28/15/82/398281582.db2.gz VFWRRIRDHDOGEE-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM O=C([O-])c1ccc2c(c1)nnn2C1CCCCC1 ZINC000002487601 342721263 /nfs/dbraw/zinc/72/12/63/342721263.db2.gz GLIAIPXYMCWRTG-UHFFFAOYSA-N -1 0 245.282 2.635 50 0 BFAARM CC(C)c1ccc2[nH]c(C(=O)[O-])cc2c1 ZINC000003748658 342737289 /nfs/dbraw/zinc/73/72/89/342737289.db2.gz FUOMWKBVELXWCU-UHFFFAOYSA-N -1 0 203.241 2.990 50 0 BFAARM CCCC[C@@H](CC)CNC(=O)CCCC(=O)[O-] ZINC000004784101 342752248 /nfs/dbraw/zinc/75/22/48/342752248.db2.gz XWMLZVVZTMWKSC-LLVKDONJSA-N -1 0 243.347 2.574 50 0 BFAARM Cc1ccc(C)n1Cc1cccc(C(=O)[O-])c1 ZINC000004983384 342755533 /nfs/dbraw/zinc/75/55/33/342755533.db2.gz UANBDJDZJQTPIW-UHFFFAOYSA-N -1 0 229.279 2.851 50 0 BFAARM Cc1sc(C(=O)[O-])cc1Br ZINC000005045697 342757119 /nfs/dbraw/zinc/75/71/19/342757119.db2.gz JUPQMRVILHTCOF-UHFFFAOYSA-N -1 0 221.075 2.517 50 0 BFAARM Cn1c(=S)[nH]nc1-c1c[nH]c2ccccc12 ZINC000006083208 342773386 /nfs/dbraw/zinc/77/33/86/342773386.db2.gz FYKQPEUHIODMES-UHFFFAOYSA-N -1 0 230.296 2.626 50 0 BFAARM CC(C)c1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000008699880 342802566 /nfs/dbraw/zinc/80/25/66/342802566.db2.gz MQUOHNQYSXJILW-UHFFFAOYSA-N -1 0 230.267 2.694 50 0 BFAARM O=C([O-])[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000006658037 342780457 /nfs/dbraw/zinc/78/04/57/342780457.db2.gz QFLIXPBSNSYURJ-JTQLQIEISA-N -1 0 215.252 2.672 50 0 BFAARM CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)[O-] ZINC000006721113 342781318 /nfs/dbraw/zinc/78/13/18/342781318.db2.gz XXBJTNCYZOPXBL-SNVBAGLBSA-N -1 0 246.310 2.880 50 0 BFAARM O=C([O-])c1ccc(Nc2ccccc2)nc1 ZINC000006733575 342781738 /nfs/dbraw/zinc/78/17/38/342781738.db2.gz OMGPNSFUSJHLFT-UHFFFAOYSA-N -1 0 214.224 2.523 50 0 BFAARM CC[C@]1(C)Cc2ccccc2-c2nc[nH]c(=O)c21 ZINC000008739052 342804052 /nfs/dbraw/zinc/80/40/52/342804052.db2.gz UTJRGNCYPLAFDJ-OAHLLOKOSA-N -1 0 240.306 2.661 50 0 BFAARM CCc1ccc(-c2noc(C)c2C(=O)[O-])cc1 ZINC000011627975 342842106 /nfs/dbraw/zinc/84/21/06/342842106.db2.gz QWTIUZGSFKIRRG-UHFFFAOYSA-N -1 0 231.251 2.911 50 0 BFAARM O=C([O-])[C@@H](Cc1ccncc1)c1ccc(F)cc1 ZINC000011570640 342841578 /nfs/dbraw/zinc/84/15/78/342841578.db2.gz WDEZUBOOGHWTEG-ZDUSSCGKSA-N -1 0 245.253 2.632 50 0 BFAARM CCOc1ccccc1-n1cccc1C(=O)[O-] ZINC000012404895 342851494 /nfs/dbraw/zinc/85/14/94/342851494.db2.gz ZTQOPOCPAYMDKU-UHFFFAOYSA-N -1 0 231.251 2.574 50 0 BFAARM CC(C)(C)OC(=O)Nc1nccc(Cl)c1[O-] ZINC000014400962 342880342 /nfs/dbraw/zinc/88/03/42/342880342.db2.gz XNPOKIQJADWOCY-UHFFFAOYSA-N -1 0 244.678 2.788 50 0 BFAARM CCc1c(C)[nH]c2cc(C(=O)[O-])ccc21 ZINC000017194004 342922033 /nfs/dbraw/zinc/92/20/33/342922033.db2.gz KKEXSVBEEGPAEK-UHFFFAOYSA-N -1 0 203.241 2.737 50 0 BFAARM O=C([O-])c1ccc(-c2ccccc2O)cc1 ZINC000016947563 342917898 /nfs/dbraw/zinc/91/78/98/342917898.db2.gz BENUSPOXKHTNPC-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM Cc1ccc(C)c(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000043879202 178467360 /nfs/dbraw/zinc/46/73/60/178467360.db2.gz FLJWIBAXNGPNHL-VXGBXAGGSA-N -1 0 246.306 2.987 50 0 BFAARM O=C([O-])[C@@]1(c2ccccc2)CC12CCCC2 ZINC000019089321 342941377 /nfs/dbraw/zinc/94/13/77/342941377.db2.gz IPJKMOYQWMAWPO-AWEZNQCLSA-N -1 0 216.280 2.973 50 0 BFAARM CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000019094208 342941761 /nfs/dbraw/zinc/94/17/61/342941761.db2.gz YMERGXVWLWRYGI-CYBMUJFWSA-N -1 0 234.295 2.807 50 0 BFAARM CN(C)c1ccc(C(=O)[O-])cc1C(C)(C)C ZINC000019801562 342958154 /nfs/dbraw/zinc/95/81/54/342958154.db2.gz LRDOKTIJCLUARI-UHFFFAOYSA-N -1 0 221.300 2.748 50 0 BFAARM CN(c1ccccc1)c1ccc(C(=O)[O-])cn1 ZINC000019731749 342954945 /nfs/dbraw/zinc/95/49/45/342954945.db2.gz KOTLJYPXQMUZTK-UHFFFAOYSA-N -1 0 228.251 2.548 50 0 BFAARM CCN(CC)C(=O)c1ccc([O-])c(Cl)c1 ZINC000019837008 342959168 /nfs/dbraw/zinc/95/91/68/342959168.db2.gz RFUYFRIRMSQWDA-UHFFFAOYSA-N -1 0 227.691 2.528 50 0 BFAARM CCC(CC)n1nc(C)c(C(=O)[O-])c1C ZINC000040931566 168416236 /nfs/dbraw/zinc/41/62/36/168416236.db2.gz YDQDPOMRUYGQAE-UHFFFAOYSA-N -1 0 210.277 2.559 50 0 BFAARM O=C([O-])c1cncc(-c2ccc(F)cc2F)c1 ZINC000020443342 342985794 /nfs/dbraw/zinc/98/57/94/342985794.db2.gz XOVWLKSCPLTSEW-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM COc1cc(C2(C(=O)[O-])CCC2)ccc1C ZINC000021953225 343029847 /nfs/dbraw/zinc/02/98/47/343029847.db2.gz SHJPZELYOPLLSZ-UHFFFAOYSA-N -1 0 220.268 2.510 50 0 BFAARM O=C([O-])c1ccc2ccc(Cl)cc2n1 ZINC000026474817 343105647 /nfs/dbraw/zinc/10/56/47/343105647.db2.gz JCGLRGUFLQNLIE-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CSc1nc(C(=O)[O-])cc(-c2ccccc2)n1 ZINC000032102440 343229548 /nfs/dbraw/zinc/22/95/48/343229548.db2.gz FJEWCKMACVHCCH-UHFFFAOYSA-N -1 0 246.291 2.564 50 0 BFAARM O=C([O-])c1cc2occc2n1Cc1ccccc1 ZINC000032500839 343236482 /nfs/dbraw/zinc/23/64/82/343236482.db2.gz PJUQHQBKPMPLLO-UHFFFAOYSA-N -1 0 241.246 2.981 50 0 BFAARM O=C([O-])c1csc(Nc2cccc(F)c2)n1 ZINC000033507840 343256264 /nfs/dbraw/zinc/25/62/64/343256264.db2.gz FURRDAGMYARYJM-UHFFFAOYSA-N -1 0 238.243 2.724 50 0 BFAARM CC(C)Oc1cc(C(=O)[O-])c2ccccc2n1 ZINC000034062719 343263948 /nfs/dbraw/zinc/26/39/48/343263948.db2.gz PAMQDAXSKBZTQX-UHFFFAOYSA-N -1 0 231.251 2.720 50 0 BFAARM COc1cc(Cl)c(C(=O)[O-])cc1Cl ZINC000034328193 343267868 /nfs/dbraw/zinc/26/78/68/343267868.db2.gz VIMHPDKXVNPSTD-UHFFFAOYSA-N -1 0 221.039 2.700 50 0 BFAARM Cc1c(C(=O)[O-])c2c(n1C)-c1ccccc1CC2 ZINC000016578517 343271106 /nfs/dbraw/zinc/27/11/06/343271106.db2.gz UZYCACZIOHDXCB-UHFFFAOYSA-N -1 0 241.290 2.797 50 0 BFAARM Cc1nc([C@@H](C(=O)[O-])c2ccccc2)cs1 ZINC000004840166 343273389 /nfs/dbraw/zinc/27/33/89/343273389.db2.gz NZZPQODMRIZZFI-NSHDSACASA-N -1 0 233.292 2.668 50 0 BFAARM C[C@H](CSCc1ccccc1)C(=O)[O-] ZINC000034535238 343274255 /nfs/dbraw/zinc/27/42/55/343274255.db2.gz KARSURQOGRNRLB-SECBINFHSA-N -1 0 210.298 2.641 50 0 BFAARM Cc1cccc(-c2cncc(C(=O)[O-])c2)c1 ZINC000036346835 343316690 /nfs/dbraw/zinc/31/66/90/343316690.db2.gz KQXMMUCUYGOXEX-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM O=C([O-])c1ccc(NCC2CCCCC2)nc1 ZINC000037260089 343342386 /nfs/dbraw/zinc/34/23/86/343342386.db2.gz RMFBINNCYCZBAY-UHFFFAOYSA-N -1 0 234.299 2.772 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000037380728 343344340 /nfs/dbraw/zinc/34/43/40/343344340.db2.gz IYYOCNQIQCLRHF-RKDXNWHRSA-N -1 0 246.184 2.773 50 0 BFAARM CCOc1cc(Br)ccc1C(=O)[O-] ZINC000037475143 343347000 /nfs/dbraw/zinc/34/70/00/343347000.db2.gz WNVOYJBTTPWDLA-UHFFFAOYSA-N -1 0 245.072 2.546 50 0 BFAARM O=C([O-])c1ccc(-c2ccncc2)c(F)c1 ZINC000043589615 343478320 /nfs/dbraw/zinc/47/83/20/343478320.db2.gz VAHXOHHQHVUNQS-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM Cc1cccc(C(=O)CC(C)(C)C(=O)[O-])c1C ZINC000043214291 343466214 /nfs/dbraw/zinc/46/62/14/343466214.db2.gz DACBPOJILMGDBG-UHFFFAOYSA-N -1 0 234.295 2.987 50 0 BFAARM O=C([O-])c1ccc(-c2ccccc2)c(O)c1 ZINC000044559904 343506894 /nfs/dbraw/zinc/50/68/94/343506894.db2.gz DSADESJTZDXCPN-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM O=C([O-])c1ccc(-c2cn3ccccc3n2)cc1 ZINC000045921976 343535474 /nfs/dbraw/zinc/53/54/74/343535474.db2.gz AHJHOESKCGHHPR-UHFFFAOYSA-N -1 0 238.246 2.700 50 0 BFAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OCC ZINC000004705228 343968155 /nfs/dbraw/zinc/96/81/55/343968155.db2.gz MEADRIRYKFSBDO-UHFFFAOYSA-N -1 0 244.674 2.836 50 0 BFAARM Cc1ccc(OCCCC(=O)[O-])cc1C ZINC000011952944 178811441 /nfs/dbraw/zinc/81/14/41/178811441.db2.gz XCDOHVHQWSFAEN-UHFFFAOYSA-N -1 0 208.257 2.547 50 0 BFAARM Cc1cccc(-c2cccnc2C(=O)[O-])c1 ZINC000041226826 178994030 /nfs/dbraw/zinc/99/40/30/178994030.db2.gz GQKWZGHVZHLTFR-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1cccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1C ZINC000043878979 179027473 /nfs/dbraw/zinc/02/74/73/179027473.db2.gz RDGCSSDHDHTWDY-NWDGAFQWSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1cccc(C)c1OC(C)(C)C(=O)[O-] ZINC000011958867 179044786 /nfs/dbraw/zinc/04/47/86/179044786.db2.gz KPYUGMQZJXMMOM-UHFFFAOYSA-N -1 0 208.257 2.545 50 0 BFAARM Cc1cccc([C@H](CC(=O)[O-])n2cccc2)c1 ZINC000005751898 179199123 /nfs/dbraw/zinc/19/91/23/179199123.db2.gz WPEWHTJKEWLCPG-ZDUSSCGKSA-N -1 0 229.279 2.861 50 0 BFAARM CCCC(=O)c1c(C)c2ccc([O-])cc2oc1=O ZINC000026476310 168571761 /nfs/dbraw/zinc/57/17/61/168571761.db2.gz MDYSJIHHLVYMQI-UHFFFAOYSA-N -1 0 246.262 2.790 50 0 BFAARM Cc1ccccc1-c1cncc(C(=O)[O-])c1 ZINC000016947364 179237178 /nfs/dbraw/zinc/23/71/78/179237178.db2.gz MHRKSAQEXFTVFQ-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1ccccc1-n1[n-]c(C(F)(F)F)cc1=O ZINC000100070280 179243042 /nfs/dbraw/zinc/24/30/42/179243042.db2.gz LKCKZXWQWHKDPT-UHFFFAOYSA-N -1 0 242.200 2.905 50 0 BFAARM Cc1ccccc1C(=O)C[C@@H](C)CC(=O)[O-] ZINC000043214215 179246113 /nfs/dbraw/zinc/24/61/13/179246113.db2.gz CWCXAHALCGEMCW-SECBINFHSA-N -1 0 220.268 2.679 50 0 BFAARM Cc1ccccc1C(=O)c1ccccc1C(=O)[O-] ZINC000000066672 179253476 /nfs/dbraw/zinc/25/34/76/179253476.db2.gz FYDVJEVAEUYKOB-UHFFFAOYSA-N -1 0 240.258 2.924 50 0 BFAARM Cc1nc(-c2ncccc2C)sc1C(=O)[O-] ZINC000044467339 179357463 /nfs/dbraw/zinc/35/74/63/179357463.db2.gz NJQWUHHJZJUZJS-UHFFFAOYSA-N -1 0 234.280 2.520 50 0 BFAARM CC(C)n1cncc1-c1ccc(F)c(C(=O)[O-])c1 ZINC000725246408 538006611 /nfs/dbraw/zinc/00/66/11/538006611.db2.gz ZMLNCEDDIUTABH-UHFFFAOYSA-N -1 0 248.257 2.968 50 0 BFAARM Cc1nc(Oc2ccccc2)sc1C(=O)[O-] ZINC000060165533 180028222 /nfs/dbraw/zinc/02/82/22/180028222.db2.gz FWGBDPRIFGAYIT-UHFFFAOYSA-N -1 0 235.264 2.942 50 0 BFAARM Cc1nn(C)c(Sc2ccccc2)c1C(=O)[O-] ZINC000095883465 180362029 /nfs/dbraw/zinc/36/20/29/180362029.db2.gz DYJPXFCOASLTEC-UHFFFAOYSA-N -1 0 248.307 2.578 50 0 BFAARM O=C([O-])c1ccc(Br)c2cc[nH]c21 ZINC000089204651 187798964 /nfs/dbraw/zinc/79/89/64/187798964.db2.gz CDTILRQKJWYBOM-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM CC[C@@H](C)[C@H](C)Nc1nc(CC(=O)[O-])cs1 ZINC000087665286 323941494 /nfs/dbraw/zinc/94/14/94/323941494.db2.gz ZIIIKLCUTXJLGP-SFYZADRCSA-N -1 0 242.344 2.617 50 0 BFAARM O=C([O-])c1cccn1Cc1ccc(Cl)cc1 ZINC000000261442 363205797 /nfs/dbraw/zinc/20/57/97/363205797.db2.gz QXXCWXCCYKEGPX-UHFFFAOYSA-N -1 0 235.670 2.888 50 0 BFAARM Cc1ccc(C(=O)c2ccccc2)c([O-])c1 ZINC000000345838 188099280 /nfs/dbraw/zinc/09/92/80/188099280.db2.gz KIZCNUWGIVQQBK-UHFFFAOYSA-N -1 0 212.248 2.932 50 0 BFAARM CC(C)(C)C(=O)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000049591942 353168381 /nfs/dbraw/zinc/16/83/81/353168381.db2.gz IWRGUJBWYKVFOK-BQYQJAHWSA-N -1 0 247.294 2.769 50 0 BFAARM Cc1cc(C(=O)[O-])sc1Br ZINC000038540783 188117468 /nfs/dbraw/zinc/11/74/68/188117468.db2.gz HSHPZFSEXMTXSY-UHFFFAOYSA-N -1 0 221.075 2.517 50 0 BFAARM Cc1ccc(C(=O)C=C([O-])c2ccco2)c(O)c1 ZINC000100142888 188149589 /nfs/dbraw/zinc/14/95/89/188149589.db2.gz CLCWHQRLCMKVKI-UHFFFAOYSA-N -1 0 244.246 2.749 50 0 BFAARM CC[C@H](CCCOc1ccccc1)C(=O)[O-] ZINC000034181897 188182143 /nfs/dbraw/zinc/18/21/43/188182143.db2.gz FXVGIBBWOHNAND-LLVKDONJSA-N -1 0 222.284 2.956 50 0 BFAARM CC(C=C1SC(=O)NC1=O)=Cc1ccccc1 ZINC000001469833 188222955 /nfs/dbraw/zinc/22/29/55/188222955.db2.gz XWGJEYLUCQLPAT-BYSFRFKNSA-N -1 0 245.303 2.957 50 0 BFAARM Cc1cc(C)cc(C(=O)CC(C)(C)C(=O)[O-])c1 ZINC000002378650 188456361 /nfs/dbraw/zinc/45/63/61/188456361.db2.gz JOJHIRMHBUHMEQ-UHFFFAOYSA-N -1 0 234.295 2.987 50 0 BFAARM Cc1cc(C)n(-c2ccc(CCC(=O)[O-])cc2)n1 ZINC000006681884 188459072 /nfs/dbraw/zinc/45/90/72/188459072.db2.gz UXVUVAJZAGAJEI-UHFFFAOYSA-N -1 0 244.294 2.506 50 0 BFAARM O=C([O-])c1ccccc1C(=O)c1ccc(F)cc1 ZINC000000056439 355891525 /nfs/dbraw/zinc/89/15/25/355891525.db2.gz FJAZVXUPZQSZKI-UHFFFAOYSA-N -1 0 244.221 2.755 50 0 in-vitro BFAARM O=C([O-])c1ccc(OCc2ccccc2)cc1 ZINC000000169677 355892459 /nfs/dbraw/zinc/89/24/59/355892459.db2.gz AQSCHALQLXXKKC-UHFFFAOYSA-N -1 0 228.247 2.964 50 0 in-vitro BFAARM O=C([O-])c1c(-c2ccccc2)noc1C(F)F ZINC000675057451 538479685 /nfs/dbraw/zinc/47/96/85/538479685.db2.gz GPVNQAONOJRKNI-UHFFFAOYSA-N -1 0 239.177 2.977 50 0 BFAARM Cc1ccc(-c2noc(C3CC3)c2C(=O)[O-])o1 ZINC000675057581 538480256 /nfs/dbraw/zinc/48/02/56/538480256.db2.gz JUBVHZBITVHGFP-UHFFFAOYSA-N -1 0 233.223 2.819 50 0 BFAARM CCCCc1onc(-c2ccc[nH]2)c1C(=O)[O-] ZINC000675058105 538481046 /nfs/dbraw/zinc/48/10/46/538481046.db2.gz VZDAFPGFYYVSEU-UHFFFAOYSA-N -1 0 234.255 2.711 50 0 BFAARM O=C([O-])c1cccc(Nc2ccccn2)c1 ZINC000001672339 357113369 /nfs/dbraw/zinc/11/33/69/357113369.db2.gz YYSORMAMCGMXIV-UHFFFAOYSA-N -1 0 214.224 2.523 50 0 BFAARM Cc1[nH]c2ccccc2c1CC(F)(F)C(=O)[O-] ZINC000259160772 538809730 /nfs/dbraw/zinc/80/97/30/538809730.db2.gz NRKNZSABTJKKAG-UHFFFAOYSA-N -1 0 239.221 2.739 50 0 BFAARM [O-]c1ccc(Br)nc1C(F)(F)F ZINC000238711773 361370142 /nfs/dbraw/zinc/37/01/42/361370142.db2.gz SDKHTKZPJZZXSJ-UHFFFAOYSA-N -1 0 241.994 2.569 50 0 BFAARM CCC(=O)C(C)=C([O-])c1ccc(F)cc1 ZINC000232824127 541507901 /nfs/dbraw/zinc/50/79/01/541507901.db2.gz IADMDHCXIKXMPN-MRVPVSSYSA-N -1 0 208.232 2.624 50 0 BFAARM C[C@]12C=C(Br)[C@H]1CC[C@]2(C)C(=O)[O-] ZINC000004084485 372133171 /nfs/dbraw/zinc/13/31/71/372133171.db2.gz XVYWNXXKUFDIRD-DRTBCBBWSA-N -1 0 245.116 2.786 50 0 biogenic BFAARM Cc1cccc(C(=O)[O-])c1C(F)(F)F ZINC000071614640 374280472 /nfs/dbraw/zinc/28/04/72/374280472.db2.gz RWQQQKKQKXBNGZ-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM O=C([O-])CCc1cc(Br)cs1 ZINC000036893435 182453292 /nfs/dbraw/zinc/45/32/92/182453292.db2.gz GFJOYHSZJIBUIO-UHFFFAOYSA-N -1 0 235.102 2.528 50 0 BFAARM O=C([O-])CSc1ccc2cc(O)ccc2c1 ZINC000000187668 182473633 /nfs/dbraw/zinc/47/36/33/182473633.db2.gz UQQVPWBYIHMJHL-UHFFFAOYSA-N -1 0 234.276 2.722 50 0 BFAARM O=C([O-])[C@@H]1CC=CC[C@H]1Cc1ccccc1 ZINC000000342278 182508999 /nfs/dbraw/zinc/50/89/99/182508999.db2.gz SLIBOSUXKGDWRP-QWHCGFSZSA-N -1 0 216.280 2.896 50 0 BFAARM O=C([O-])c1cc(C(F)(F)F)c2ccccc2n1 ZINC000012649564 182553370 /nfs/dbraw/zinc/55/33/70/182553370.db2.gz YGGNZDRZJWUYRO-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000062494842 182545217 /nfs/dbraw/zinc/54/52/17/182545217.db2.gz UKRIUIRBTVRYAH-BDAKNGLRSA-N -1 0 230.185 2.894 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000020392406 182545506 /nfs/dbraw/zinc/54/55/06/182545506.db2.gz WQKBKSZJAIBOED-BDAKNGLRSA-N -1 0 241.084 2.637 50 0 BFAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 ZINC000005513386 182567695 /nfs/dbraw/zinc/56/76/95/182567695.db2.gz CGYYJHMINXBBNH-JTQLQIEISA-N -1 0 245.278 2.680 50 0 BFAARM O=C([O-])c1ccc2oc(-c3cccnc3)nc2c1 ZINC000005945157 182574920 /nfs/dbraw/zinc/57/49/20/182574920.db2.gz PXIIHVLGLVLCOG-UHFFFAOYSA-N -1 0 240.218 2.588 50 0 BFAARM O=C([O-])c1ccc(-c2cscn2)cc1 ZINC000037239773 182562581 /nfs/dbraw/zinc/56/25/81/182562581.db2.gz DJJLKDMESZPSAM-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])c1cccc(COc2ccccc2)c1 ZINC000003159089 182576143 /nfs/dbraw/zinc/57/61/43/182576143.db2.gz URLYREZIPSJJQU-UHFFFAOYSA-N -1 0 228.247 2.964 50 0 in-vitro BFAARM O=C([O-])c1cccc(NC(=O)c2cccs2)c1 ZINC000000148009 182578253 /nfs/dbraw/zinc/57/82/53/182578253.db2.gz JFACUNXDFKLILL-UHFFFAOYSA-N -1 0 247.275 2.699 50 0 BFAARM O=C([O-])c1ccccc1C(=O)c1ccccc1 ZINC000000157193 182581142 /nfs/dbraw/zinc/58/11/42/182581142.db2.gz FGTYTUFKXYPTML-UHFFFAOYSA-N -1 0 226.231 2.616 50 0 BFAARM O=C([O-])c1csc(-c2ccsc2)n1 ZINC000004218334 182593713 /nfs/dbraw/zinc/59/37/13/182593713.db2.gz JZSRMMAFRQYIHP-UHFFFAOYSA-N -1 0 211.267 2.570 50 0 BFAARM O=C([O-])c1ncccc1Oc1ccccc1 ZINC000034157130 182596256 /nfs/dbraw/zinc/59/62/56/182596256.db2.gz IBQCJIMAXSKLKT-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccc(F)cc1 ZINC000100072272 183256545 /nfs/dbraw/zinc/25/65/45/183256545.db2.gz AAQODJKYJVPXLB-UHFFFAOYSA-N -1 0 246.163 2.736 50 0 BFAARM O=c1nc(-c2ccc(Cl)cc2)[nH]c(=S)[n-]1 ZINC000017917517 183307347 /nfs/dbraw/zinc/30/73/47/183307347.db2.gz KGJIDWCDNYBLCZ-UHFFFAOYSA-N -1 0 239.687 2.560 50 0 BFAARM CCCOc1ccc(/C=C/C(=O)[O-])cc1OC ZINC000001771492 169316046 /nfs/dbraw/zinc/31/60/46/169316046.db2.gz QLWJYHRZUFQUDK-FNORWQNLSA-N -1 0 236.267 2.582 50 0 BFAARM CCCOc1ccc(Cl)cc1C(=O)[O-] ZINC000002584127 169319097 /nfs/dbraw/zinc/31/90/97/169319097.db2.gz 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50 0 in-vitro BFAARM CC[C@@H](C)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000474263 383871059 /nfs/dbraw/zinc/87/10/59/383871059.db2.gz SGDJYWAORFDJLY-AAXQSMANSA-N -1 0 247.294 2.779 50 0 BFAARM CSC(=S)[N-]c1ccc(NC(C)=O)cc1 ZINC000000135314 383833884 /nfs/dbraw/zinc/83/38/84/383833884.db2.gz YUOPOWBFBCYNOR-UHFFFAOYSA-N -1 0 240.353 2.705 50 0 BFAARM Cc1cc(C(=O)[O-])c2cc(Cl)ccc2n1 ZINC000000874170 383883570 /nfs/dbraw/zinc/88/35/70/383883570.db2.gz GSWWVOHRAYFEHC-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM Cc1cc(C(=O)[O-])c2ccc(Cl)cc2n1 ZINC000000875132 383884133 /nfs/dbraw/zinc/88/41/33/383884133.db2.gz WOONUCDWZWZHGF-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM Cc1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000036220684 383886469 /nfs/dbraw/zinc/88/64/69/383886469.db2.gz MNBRGXGIHYPDDI-UHFFFAOYSA-N -1 0 233.292 2.741 50 0 BFAARM O=Cc1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000002574082 383979085 /nfs/dbraw/zinc/97/90/85/383979085.db2.gz NWVOXGWJNSOFTE-UHFFFAOYSA-N -1 0 226.231 2.864 50 0 BFAARM Cc1cc(C(=O)[O-])c2cccc(Cl)c2n1 ZINC000003177021 383999839 /nfs/dbraw/zinc/99/98/39/383999839.db2.gz SGCIPJVQANAPAZ-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM Cc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000002382292 383959703 /nfs/dbraw/zinc/95/97/03/383959703.db2.gz PHJOGJTZXVBKJO-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM Cc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000002382291 383959748 /nfs/dbraw/zinc/95/97/48/383959748.db2.gz QJSRENHDYMAJIL-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000002382294 383960054 /nfs/dbraw/zinc/96/00/54/383960054.db2.gz CAPKAYDTKWGFQB-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM COc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000002521392 383968036 /nfs/dbraw/zinc/96/80/36/383968036.db2.gz HDFIQJWOUCMCRF-UHFFFAOYSA-N -1 0 248.234 2.565 50 0 BFAARM O=C([O-])/C=C/c1cc(F)cc(C(F)(F)F)c1 ZINC000002560190 383976270 /nfs/dbraw/zinc/97/62/70/383976270.db2.gz BALLIUNVQMPIFI-OWOJBTEDSA-N -1 0 234.148 2.942 50 0 BFAARM O=C([O-])c1ccccc1SC[C@@H]1CCCO1 ZINC000004207221 384044800 /nfs/dbraw/zinc/04/48/00/384044800.db2.gz JSIXPZCPPOPSCY-VIFPVBQESA-N -1 0 238.308 2.656 50 0 BFAARM O=C([O-])CCc1nc2cc(Cl)ccc2s1 ZINC000004219237 384046998 /nfs/dbraw/zinc/04/69/98/384046998.db2.gz UMBLVHSXXWQLDL-UHFFFAOYSA-N -1 0 241.699 2.967 50 0 in-vitro BFAARM O=C([O-])c1cccc2[nH]c3c(c21)CCCC3 ZINC000006697993 384028419 /nfs/dbraw/zinc/02/84/19/384028419.db2.gz JATFYKRYLHPWLZ-UHFFFAOYSA-N -1 0 215.252 2.745 50 0 BFAARM CCOc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000070953369 384142875 /nfs/dbraw/zinc/14/28/75/384142875.db2.gz KWEQYUCUGSDCHR-UHFFFAOYSA-N -1 0 234.173 2.802 50 0 BFAARM CC(C)Cc1ccc(-c2cc(C(=O)[O-])n[nH]2)cc1 ZINC000006832595 384169547 /nfs/dbraw/zinc/16/95/47/384169547.db2.gz SELOPTVAXDRILL-UHFFFAOYSA-N -1 0 244.294 2.973 50 0 BFAARM CC(C)CCOc1cccc(C(=O)[O-])c1 ZINC000006883413 384170508 /nfs/dbraw/zinc/17/05/08/384170508.db2.gz HOCWIVDRDZHCRS-UHFFFAOYSA-N -1 0 208.257 2.810 50 0 BFAARM COc1cc(/C=C/C(=O)[O-])cc(C(F)(F)F)c1 ZINC000071867269 384184213 /nfs/dbraw/zinc/18/42/13/384184213.db2.gz PHVYEXUYVALSAZ-NSCUHMNNSA-N -1 0 246.184 2.812 50 0 BFAARM O=C([O-])c1cnc2ccsc2c1Cl ZINC000072230690 384202355 /nfs/dbraw/zinc/20/23/55/384202355.db2.gz DTWMSCLROSNKBA-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM Cc1ccc(OCc2nc(C(=O)[O-])cs2)cc1 ZINC000007786496 384186564 /nfs/dbraw/zinc/18/65/64/384186564.db2.gz ULXLKNWQMGIDNW-UHFFFAOYSA-N -1 0 249.291 2.729 50 0 BFAARM O=C([O-])c1c(Cl)ccc2cccnc21 ZINC000071974032 384191084 /nfs/dbraw/zinc/19/10/84/384191084.db2.gz XLHOYRWQJYJQGZ-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 in-vitro BFAARM Cc1ccc(C)c(C(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000043214298 384268324 /nfs/dbraw/zinc/26/83/24/384268324.db2.gz OQTXPVGEWWEPOQ-JTQLQIEISA-N -1 0 234.295 2.987 50 0 BFAARM Cc1ccc(C)c(C(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000043214297 384268634 /nfs/dbraw/zinc/26/86/34/384268634.db2.gz OQTXPVGEWWEPOQ-SNVBAGLBSA-N -1 0 234.295 2.987 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000043878991 384305327 /nfs/dbraw/zinc/30/53/27/384305327.db2.gz BYAPPOMPFRZHTN-QWHCGFSZSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1cccc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c1C ZINC000043879196 384305761 /nfs/dbraw/zinc/30/57/61/384305761.db2.gz FQEGSIOKFYJWIQ-CHWSQXEVSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000043879003 384305775 /nfs/dbraw/zinc/30/57/75/384305775.db2.gz VWUABZLEGQFYQH-NWDGAFQWSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c(C)c1 ZINC000043879199 384305857 /nfs/dbraw/zinc/30/58/57/384305857.db2.gz CRUKTNRPTRXQRA-CHWSQXEVSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1ccc(C(F)(F)F)c(C(=O)[O-])c1 ZINC000012359202 384313913 /nfs/dbraw/zinc/31/39/13/384313913.db2.gz YYEMDMKMHBXYPV-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM Cc1nc(-c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000011730392 384294376 /nfs/dbraw/zinc/29/43/76/384294376.db2.gz XEJOXNREXHRKEN-UHFFFAOYSA-N -1 0 231.226 2.894 50 0 BFAARM Cc1nc(C(F)(F)F)ccc1/C=C/C(=O)[O-] ZINC000095215911 384369322 /nfs/dbraw/zinc/36/93/22/384369322.db2.gz CHNFAYGEOZABBD-HWKANZROSA-N -1 0 231.173 2.507 50 0 BFAARM O=C([O-])C1(c2ccccc2Cl)CCC1 ZINC000044269657 384323950 /nfs/dbraw/zinc/32/39/50/384323950.db2.gz YYPGGXSABCALFA-UHFFFAOYSA-N -1 0 210.660 2.846 50 0 BFAARM Nc1ncc(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000095495525 384378407 /nfs/dbraw/zinc/37/84/07/384378407.db2.gz VNVANSXPUFRFST-UHFFFAOYSA-N -1 0 248.669 2.682 50 0 BFAARM O=C([O-])c1ccc2sc(Cl)nc2c1 ZINC000095642775 384388281 /nfs/dbraw/zinc/38/82/81/384388281.db2.gz USIYKVRPNWXYIR-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM O=C([O-])CCc1ccccc1OC(F)(F)F ZINC000016158667 384454206 /nfs/dbraw/zinc/45/42/06/384454206.db2.gz HPWALWHGHCTMBT-UHFFFAOYSA-N -1 0 234.173 2.602 50 0 BFAARM O=C([O-])C1(c2cccc(Br)c2)CC1 ZINC000020281331 384609910 /nfs/dbraw/zinc/60/99/10/384609910.db2.gz MYDCJGVBYNDHIC-UHFFFAOYSA-N -1 0 241.084 2.565 50 0 BFAARM O=C([O-])[C@H]1CC[C@@H](C(=O)c2ccccc2)CC1 ZINC000100329744 384634355 /nfs/dbraw/zinc/63/43/55/384634355.db2.gz IQSXTPDJHKVQAF-HAQNSBGRSA-N -1 0 232.279 2.760 50 0 BFAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000100781827 384654078 /nfs/dbraw/zinc/65/40/78/384654078.db2.gz XUGMZXWEBJJQID-UHFFFAOYSA-N -1 0 236.274 2.833 50 0 BFAARM Cc1cc(N)ccc1-c1ccc(C(=O)[O-])o1 ZINC000073640286 384656157 /nfs/dbraw/zinc/65/61/57/384656157.db2.gz ORTBTGUYQAHVEZ-UHFFFAOYSA-N -1 0 217.224 2.535 50 0 BFAARM CCc1ccc(Br)cc1C(=O)[O-] ZINC000051943801 384704490 /nfs/dbraw/zinc/70/44/90/384704490.db2.gz RJJFAACSONNSDX-UHFFFAOYSA-N -1 0 229.073 2.710 50 0 BFAARM Cc1c2ccc(Cl)cc2n(C)c1C(=O)[O-] ZINC000082600100 384773367 /nfs/dbraw/zinc/77/33/67/384773367.db2.gz CKMFYWFCDWWHBJ-UHFFFAOYSA-N -1 0 223.659 2.838 50 0 BFAARM CSc1cc(C(=O)[O-])nc(-c2ccccn2)c1 ZINC000082310260 384768925 /nfs/dbraw/zinc/76/89/25/384768925.db2.gz GMOYHULOHIAIDH-UHFFFAOYSA-N -1 0 246.291 2.564 50 0 BFAARM Cc1cc(C(=O)C[C@@H](C)CC(=O)[O-])ccc1F ZINC000085652156 384961876 /nfs/dbraw/zinc/96/18/76/384961876.db2.gz JTZWWZFHWWKNII-MRVPVSSYSA-N -1 0 238.258 2.818 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000062494843 385183197 /nfs/dbraw/zinc/18/31/97/385183197.db2.gz UKRIUIRBTVRYAH-RKDXNWHRSA-N -1 0 230.185 2.894 50 0 BFAARM CC(C)(C(=O)[O-])c1c[nH]c2ccccc21 ZINC000062151852 385162732 /nfs/dbraw/zinc/16/27/32/385162732.db2.gz FCCAHDWYBGCCMD-UHFFFAOYSA-N -1 0 203.241 2.530 50 0 BFAARM COc1cc(C(=O)[O-])ccc1-c1ccc(O)cc1 ZINC000065349583 385301679 /nfs/dbraw/zinc/30/16/79/385301679.db2.gz PPMIGKDXUOPLPN-UHFFFAOYSA-N -1 0 244.246 2.766 50 0 BFAARM O=C([O-])c1cccc2c(Cl)cncc12 ZINC000253496088 385682306 /nfs/dbraw/zinc/68/23/06/385682306.db2.gz CLFRAROCLLCIQQ-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])C[C@@H](c1ccccc1F)n1cccc1 ZINC000005766053 385688541 /nfs/dbraw/zinc/68/85/41/385688541.db2.gz GHJWQKVBZZAKEQ-LBPRGKRZSA-N -1 0 233.242 2.691 50 0 BFAARM CC(=O)Nc1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000059956509 386462725 /nfs/dbraw/zinc/46/27/25/386462725.db2.gz CUZVKMWKXHBTNG-UHFFFAOYSA-N -1 0 245.234 2.603 50 0 BFAARM Cc1ccc2c(CC(=O)[O-])coc2c1F ZINC000085399645 387155398 /nfs/dbraw/zinc/15/53/98/387155398.db2.gz PJZHWQVPCSOUQS-UHFFFAOYSA-N -1 0 208.188 2.507 50 0 BFAARM O=C([O-])CCC(=O)Oc1cccc2ccccc21 ZINC000003013891 397928574 /nfs/dbraw/zinc/92/85/74/397928574.db2.gz GQIIMORHNDTLNM-UHFFFAOYSA-N -1 0 244.246 2.610 50 0 BFAARM COc1cc(-c2cccc(C(=O)[O-])c2)ccc1O ZINC000065336985 398083229 /nfs/dbraw/zinc/08/32/29/398083229.db2.gz CJSQCDOAVLQBRY-UHFFFAOYSA-N -1 0 244.246 2.766 50 0 BFAARM Cc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000066322935 398090962 /nfs/dbraw/zinc/09/09/62/398090962.db2.gz VGRSPVWAKZZUFU-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM O=C([O-])C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000037309341 409737561 /nfs/dbraw/zinc/73/75/61/409737561.db2.gz PGZNZMXCYFYRSS-UHFFFAOYSA-N -1 0 242.230 2.746 50 0 BFAARM CC(C)n1cc(CC(=O)[O-])c2ccccc21 ZINC000072220573 167745096 /nfs/dbraw/zinc/74/50/96/167745096.db2.gz FVXAMIIYSHWIFD-UHFFFAOYSA-N -1 0 217.268 2.849 50 0 biogenic BFAARM CC1(C)CC(=O)C(SC(F)(F)F)=C([O-])C1 ZINC000100398823 167883171 /nfs/dbraw/zinc/88/31/71/167883171.db2.gz YDOQORTWZHTGLJ-UHFFFAOYSA-N -1 0 240.246 2.566 50 0 BFAARM CC1=CC(C)(C)Nc2c(C(=O)[O-])cccc21 ZINC000012243704 168091946 /nfs/dbraw/zinc/09/19/46/168091946.db2.gz XEJWPMCWXLNOMT-UHFFFAOYSA-N -1 0 217.268 2.992 50 0 biogenic BFAARM CCC(=O)C=C([O-])c1ccc(C)cc1C ZINC000020375876 168198555 /nfs/dbraw/zinc/19/85/55/168198555.db2.gz NUQLBLXUKNFKGL-UHFFFAOYSA-N -1 0 204.269 2.855 50 0 BFAARM CCC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000013171355 168242600 /nfs/dbraw/zinc/24/26/00/168242600.db2.gz SFLQHOIZDJYLAY-UHFFFAOYSA-N -1 0 243.262 2.887 50 0 BFAARM CCOC(=O)C(CC)=C([O-])c1cccc(C)c1 ZINC000043502535 170271523 /nfs/dbraw/zinc/27/15/23/170271523.db2.gz QJIDTMZMSSKLCP-GFCCVEGCSA-N -1 0 234.295 2.767 50 0 BFAARM CCOC(=S)Sc1ccc(C(=O)[O-])cc1 ZINC000096345937 170311344 /nfs/dbraw/zinc/31/13/44/170311344.db2.gz JLSJKVHAFMPGBB-UHFFFAOYSA-N -1 0 242.321 2.798 50 0 BFAARM CCOc1ccc(-c2nc(C(=O)[O-])cs2)cc1 ZINC000011993230 170532445 /nfs/dbraw/zinc/53/24/45/170532445.db2.gz ZHHYXMCSEALDNM-UHFFFAOYSA-N -1 0 249.291 2.907 50 0 BFAARM CN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000098016408 172387628 /nfs/dbraw/zinc/38/76/28/172387628.db2.gz JPCSGJHDCQEMFI-UHFFFAOYSA-N -1 0 249.697 2.901 50 0 BFAARM COc1cc2c(cc1Cl)[nH]cc2C(=O)[O-] ZINC000082360348 175019074 /nfs/dbraw/zinc/01/90/74/175019074.db2.gz KVLNURBTNLNINV-UHFFFAOYSA-N -1 0 225.631 2.528 50 0 BFAARM COc1cc2ccc(C(=O)[O-])cc2cc1OC ZINC000001722927 175027230 /nfs/dbraw/zinc/02/72/30/175027230.db2.gz XMOYHYGPKOVFJI-UHFFFAOYSA-N -1 0 232.235 2.555 50 0 BFAARM COc1ccc(C(=O)[O-])c2ccccc12 ZINC000000240845 175064790 /nfs/dbraw/zinc/06/47/90/175064790.db2.gz WRQHSQDGYYDRMX-UHFFFAOYSA-N -1 0 202.209 2.547 50 0 in-vitro BFAARM COc1ccc(Cl)cc1CCCC(=O)[O-] ZINC000036162053 175120812 /nfs/dbraw/zinc/12/08/12/175120812.db2.gz MSOJPOUMDCUNHP-UHFFFAOYSA-N -1 0 228.675 2.756 50 0 BFAARM COc1ccc([N-]C(=S)SC)cc1 ZINC000003185544 175148152 /nfs/dbraw/zinc/14/81/52/175148152.db2.gz UOYBFGLHKDTKSI-UHFFFAOYSA-N -1 0 213.327 2.755 50 0 BFAARM COc1ccc2cc(C(=O)[O-])c(Cl)nc2c1 ZINC000000287836 175223559 /nfs/dbraw/zinc/22/35/59/175223559.db2.gz BTVKBYHEJQZDQT-UHFFFAOYSA-N -1 0 237.642 2.595 50 0 BFAARM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000040377495 175771228 /nfs/dbraw/zinc/77/12/28/175771228.db2.gz MRVJHZZQDZTGDM-ZETCQYMHSA-N -1 0 248.200 2.848 50 0 BFAARM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000040377473 175772481 /nfs/dbraw/zinc/77/24/81/175772481.db2.gz UVYGEBYOPXXJMX-ZETCQYMHSA-N -1 0 232.201 2.969 50 0 BFAARM C[C@@H]([N-]C(=O)C(F)(F)Cl)c1ccccc1 ZINC000001396221 175825914 /nfs/dbraw/zinc/82/59/14/175825914.db2.gz UQWXCWQOHMGTKS-SSDOTTSWSA-N -1 0 233.645 2.695 50 0 BFAARM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000002027280 176004072 /nfs/dbraw/zinc/00/40/72/176004072.db2.gz BIPAGODSEBNAJR-RXMQYKEDSA-N -1 0 235.066 2.845 50 0 BFAARM C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000006007868 176004822 /nfs/dbraw/zinc/00/48/22/176004822.db2.gz DNJHPYCYAWQQGH-ZCFIWIBFSA-N -1 0 234.173 2.557 50 0 BFAARM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000011888798 177022279 /nfs/dbraw/zinc/02/22/79/177022279.db2.gz ZLRMHHUHESVKKI-YFKPBYRVSA-N -1 0 235.066 2.845 50 0 BFAARM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000021953550 177024768 /nfs/dbraw/zinc/02/47/68/177024768.db2.gz YIZVVMCXQYBBIE-LURJTMIESA-N -1 0 234.173 2.557 50 0 BFAARM O=C([O-])[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000082714057 490585636 /nfs/dbraw/zinc/58/56/36/490585636.db2.gz SDYAQCXDLLKIIH-VIFPVBQESA-N -1 0 239.702 2.641 50 0 BFAARM CCCC(=O)C=C([O-])c1ccc(C)s1 ZINC000104716599 582459296 /nfs/dbraw/zinc/45/92/96/582459296.db2.gz FWRLBFPZMPFZHF-UHFFFAOYSA-N -1 0 210.298 2.999 50 0 BFAARM O=C([O-])c1cccc(-c2noc(C3CCC3)n2)c1 ZINC000041722232 582687922 /nfs/dbraw/zinc/68/79/22/582687922.db2.gz VNQGCDZJVLQLGK-UHFFFAOYSA-N -1 0 244.250 2.702 50 0 BFAARM CC(=O)C=C([O-])c1ccc(F)c(Cl)c1 ZINC000101839690 582764730 /nfs/dbraw/zinc/76/47/30/582764730.db2.gz ABFIMSUVEDTLSG-UHFFFAOYSA-N -1 0 214.623 2.641 50 0 BFAARM CC(C)C(=O)c1ccc([O-])c(F)c1F ZINC000088120943 644509810 /nfs/dbraw/zinc/50/98/10/644509810.db2.gz NGZLPKCHAGMNDP-UHFFFAOYSA-N -1 0 200.184 2.509 50 0 BFAARM C/C=C(/C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000097035827 644865693 /nfs/dbraw/zinc/86/56/93/644865693.db2.gz PKAIIEPLCMILGL-JORGAUELSA-N -1 0 245.278 2.689 50 0 BFAARM O=C([O-])c1ccc(-c2ccc3nc[nH]c3c2)s1 ZINC000067673222 710986903 /nfs/dbraw/zinc/98/69/03/710986903.db2.gz CBMVFCFWNIFDRS-UHFFFAOYSA-N -1 0 244.275 2.990 50 0 BFAARM CC1(CNc2cnc(C(=O)[O-])cn2)CCCCC1 ZINC000232813897 960298641 /nfs/dbraw/zinc/29/86/41/960298641.db2.gz WEJOAKOZWQKGHW-UHFFFAOYSA-N -1 0 249.314 2.557 50 0 BFAARM O=C([O-])Cc1ccc(/C=C/Br)cc1 ZINC000685964465 968092650 /nfs/dbraw/zinc/09/26/50/968092650.db2.gz IJAHPTQHYVQYTN-AATRIKPKSA-N -1 0 241.084 2.679 50 0 BFAARM O=C([O-])C12CC(c3ccccc3)(C1)CC2 ZINC000950756030 974040637 /nfs/dbraw/zinc/04/06/37/974040637.db2.gz BYDRCVXIQZGOAB-UHFFFAOYSA-N -1 0 202.253 2.583 50 0 BFAARM Cc1cc(COc2ccccc2)oc1C(=O)[O-] ZINC000004725205 178049426 /nfs/dbraw/zinc/04/94/26/178049426.db2.gz AJUGKZCPMRYOAV-UHFFFAOYSA-N -1 0 232.235 2.865 50 0 BFAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)[O-] ZINC000000256144 178070001 /nfs/dbraw/zinc/07/00/01/178070001.db2.gz WNTGYJSOUMFZEP-SSDOTTSWSA-N -1 0 214.648 2.500 50 0 in-vitro BFAARM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[O-] ZINC000009738287 178124199 /nfs/dbraw/zinc/12/41/99/178124199.db2.gz QLYPBEHDVISVBV-UHFFFAOYSA-N -1 0 241.312 2.739 50 0 BFAARM O=C([O-])c1cc(-c2ccc(F)cc2)ns1 ZINC000075396317 398225659 /nfs/dbraw/zinc/22/56/59/398225659.db2.gz KLFSXVLSWICGTA-UHFFFAOYSA-N -1 0 223.228 2.647 50 0 BFAARM Cc1cc(Nc2cccc(C(=O)[O-])c2)nc(C)n1 ZINC000004945062 178191490 /nfs/dbraw/zinc/19/14/90/178191490.db2.gz ADNBVJMVAJEPNA-UHFFFAOYSA-N -1 0 243.266 2.535 50 0 BFAARM Cc1cc(O[C@H](C)C(=O)[O-])ccc1C(C)C ZINC000011958136 178213769 /nfs/dbraw/zinc/21/37/69/178213769.db2.gz JQOLHHYVSCEUJO-SNVBAGLBSA-N -1 0 222.284 2.970 50 0 BFAARM Cc1cc(OC(F)(F)F)ccc1C(=O)[O-] ZINC000002382226 178207757 /nfs/dbraw/zinc/20/77/57/178207757.db2.gz GINWJGHZNRKJEK-UHFFFAOYSA-N -1 0 220.146 2.592 50 0 BFAARM Cc1cc(O[C@@H](C)C(=O)[O-])ccc1C(C)C ZINC000011958131 178213333 /nfs/dbraw/zinc/21/33/33/178213333.db2.gz JQOLHHYVSCEUJO-JTQLQIEISA-N -1 0 222.284 2.970 50 0 BFAARM Cc1ccc(-c2cccc(C(=O)[O-])n2)cc1F ZINC000065347413 178326441 /nfs/dbraw/zinc/32/64/41/178326441.db2.gz SSMDRGRPDSFUDA-UHFFFAOYSA-N -1 0 231.226 2.894 50 0 BFAARM O=[S@]([O-])c1cccc(Cl)c1Cl ZINC000095483767 398250534 /nfs/dbraw/zinc/25/05/34/398250534.db2.gz BWYGVTVRFCWFOK-UHFFFAOYSA-N -1 0 211.069 2.574 50 0 BFAARM Cc1ccc(-c2c[nH]cc2C(=O)[O-])s1 ZINC000037245332 178317632 /nfs/dbraw/zinc/31/76/32/178317632.db2.gz SKSCFSYWRYCRKN-UHFFFAOYSA-N -1 0 207.254 2.750 50 0 BFAARM Cc1ccc(-c2cc(C(=O)[O-])no2)cc1C ZINC000011757618 178318888 /nfs/dbraw/zinc/31/88/88/178318888.db2.gz OQJZVSPZLQYBRS-UHFFFAOYSA-N -1 0 217.224 2.657 50 0 BFAARM Cc1onc(-c2ccc(C)c(C)c2)c1C(=O)[O-] ZINC000019682378 178342402 /nfs/dbraw/zinc/34/24/02/178342402.db2.gz CBADGAUKTQLKJS-UHFFFAOYSA-N -1 0 231.251 2.965 50 0 BFAARM Cc1noc(-c2ccc(C)cc2)c1C(=O)[O-] ZINC000019682412 178345141 /nfs/dbraw/zinc/34/51/41/178345141.db2.gz HAIMCHXZWFJELA-UHFFFAOYSA-N -1 0 217.224 2.657 50 0 BFAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C ZINC000100070129 178348382 /nfs/dbraw/zinc/34/83/82/178348382.db2.gz VLCSKTBCWYQAQV-UHFFFAOYSA-N -1 0 202.257 2.503 50 0 BFAARM Cc1ccc(-c2c[n-]n3c2nc(C)cc3=O)cc1 ZINC000100756872 178328596 /nfs/dbraw/zinc/32/85/96/178328596.db2.gz JRCLHWJYFMEWTD-UHFFFAOYSA-N -1 0 239.278 2.719 50 0 BFAARM Cc1ccc(/C=C\C(=O)[O-])c(Br)c1 ZINC000035534037 178358217 /nfs/dbraw/zinc/35/82/17/178358217.db2.gz RAVBNEMTZQOKCD-PLNGDYQASA-N -1 0 241.084 2.855 50 0 BFAARM Cc1ccc(/C(=C/C(=O)[O-])C2CC2)cc1 ZINC000011628537 178351331 /nfs/dbraw/zinc/35/13/31/178351331.db2.gz YXTBYLXKPMDEAR-WQLSENKSSA-N -1 0 202.253 2.873 50 0 BFAARM O=C([O-])c1ccccc1-c1nc2ccccc2[nH]1 ZINC000000099362 342674430 /nfs/dbraw/zinc/67/44/30/342674430.db2.gz LIGZUQZUEDNPGG-UHFFFAOYSA-N -1 0 238.246 2.928 50 0 BFAARM COc1c(Cl)ccc(Cl)c1C(=O)[O-] ZINC000000126322 342676053 /nfs/dbraw/zinc/67/60/53/342676053.db2.gz IWEDIXLBFLAXBO-UHFFFAOYSA-N -1 0 221.039 2.700 50 0 in-vitro BFAARM O=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000000152762 342677454 /nfs/dbraw/zinc/67/74/54/342677454.db2.gz QQKXTFLRAZKJJO-UHFFFAOYSA-N -1 0 204.181 2.770 50 0 BFAARM CCCc1ccc([N-]C(=S)OC)cc1 ZINC000000172817 342679120 /nfs/dbraw/zinc/67/91/20/342679120.db2.gz QRDYCFPSSIMSCA-UHFFFAOYSA-N -1 0 209.314 2.982 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000000215399 342680410 /nfs/dbraw/zinc/68/04/10/342680410.db2.gz DPBUJVBXRABXRH-RKDXNWHRSA-N -1 0 241.084 2.637 50 0 BFAARM O=C([O-])c1ccc(Cc2ccccc2)o1 ZINC000000222329 342680687 /nfs/dbraw/zinc/68/06/87/342680687.db2.gz OYAHUAHATRUQAN-UHFFFAOYSA-N -1 0 202.209 2.569 50 0 BFAARM O=C([O-])c1ccc(NCc2ccco2)cc1 ZINC000000259358 342681595 /nfs/dbraw/zinc/68/15/95/342681595.db2.gz XFIBYCNKYOLPJO-UHFFFAOYSA-N -1 0 217.224 2.590 50 0 BFAARM CC(C)c1nc2ccccc2n1C[C@H](C)C(=O)[O-] ZINC000000316321 342683137 /nfs/dbraw/zinc/68/31/37/342683137.db2.gz QUXGGGMURXCUCP-JTQLQIEISA-N -1 0 246.310 2.880 50 0 BFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000000397878 342686522 /nfs/dbraw/zinc/68/65/22/342686522.db2.gz CMLOGIAOLIBOQF-RYUDHWBXSA-N -1 0 247.294 2.516 50 0 BFAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000404741 342686747 /nfs/dbraw/zinc/68/67/47/342686747.db2.gz ZJDBQMWMDZEONW-UHFFFAOYSA-N -1 0 237.255 2.732 50 0 BFAARM COc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000000457799 342687944 /nfs/dbraw/zinc/68/79/44/342687944.db2.gz AUVSCSCAPKFMEK-UHFFFAOYSA-N -1 0 221.039 2.700 50 0 BFAARM COC(C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000000463610 342688032 /nfs/dbraw/zinc/68/80/32/342688032.db2.gz YNDNIPMGZASSRG-UHFFFAOYSA-N -1 0 242.274 2.661 50 0 BFAARM CCCCO[C@@H](C(=O)[O-])c1ccccc1 ZINC000037093089 538961408 /nfs/dbraw/zinc/96/14/08/538961408.db2.gz HISYJBCEQBWADD-LLVKDONJSA-N -1 0 208.257 2.629 50 0 BFAARM Cc1nc(COc2ccc(C(=O)[O-])cc2)cs1 ZINC000004207352 342744168 /nfs/dbraw/zinc/74/41/68/342744168.db2.gz XLAHFZQELKMMMP-UHFFFAOYSA-N -1 0 249.291 2.729 50 0 BFAARM Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000002559709 342723954 /nfs/dbraw/zinc/72/39/54/342723954.db2.gz LSDWHXDEMCMQHP-UHFFFAOYSA-N -1 0 209.632 2.828 50 0 BFAARM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(F)cc1 ZINC000002574427 342724949 /nfs/dbraw/zinc/72/49/49/342724949.db2.gz NHQQJKKAHSUBRB-GHMZBOCLSA-N -1 0 236.242 2.509 50 0 BFAARM O=C([O-])c1cc2ccc(Br)cc2[nH]1 ZINC000002582710 342725776 /nfs/dbraw/zinc/72/57/76/342725776.db2.gz SVBVYRYROZWKNJ-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 in-vitro BFAARM CCCCN(C(C)=O)c1ccc(C(=O)[O-])cc1 ZINC000002901381 342727812 /nfs/dbraw/zinc/72/78/12/342727812.db2.gz VYTVLXCPQSNJTR-UHFFFAOYSA-N -1 0 235.283 2.538 50 0 BFAARM O=C([O-])c1ccccc1C(=O)OC1CCCCC1 ZINC000003095557 342730359 /nfs/dbraw/zinc/73/03/59/342730359.db2.gz PMDKYLLIOLFQPO-UHFFFAOYSA-N -1 0 248.278 2.874 50 0 in-vitro BFAARM Cc1c2c(c(C)c(C)c1C)[C@@H](C(=O)[O-])CC2=O ZINC000003848037 342738111 /nfs/dbraw/zinc/73/81/11/342738111.db2.gz XJQGZBYITZDJTQ-JTQLQIEISA-N -1 0 232.279 2.675 50 0 BFAARM Cc1ccc2nc(C)c(C(=O)[O-])cc2c1 ZINC000003886858 342739083 /nfs/dbraw/zinc/73/90/83/342739083.db2.gz HCAIPPMINDHAHV-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM Cc1ccc(Cl)c(O[C@@H](C)C(=O)[O-])c1 ZINC000006272337 342775909 /nfs/dbraw/zinc/77/59/09/342775909.db2.gz FYAUPTBCTGCOAA-ZETCQYMHSA-N -1 0 214.648 2.500 50 0 BFAARM O=C([O-])c1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000006740826 342782000 /nfs/dbraw/zinc/78/20/00/342782000.db2.gz DIZBQMTZXOUFTD-UHFFFAOYSA-N -1 0 228.207 2.521 50 0 BFAARM C=C(c1cccc2ccccc21)[P@](=O)([O-])O ZINC000002323775 398284501 /nfs/dbraw/zinc/28/45/01/398284501.db2.gz ZDNBHAWXBDXUSP-UHFFFAOYSA-N -1 0 234.191 2.988 50 0 BFAARM O=C([O-])c1ccccc1C(=O)Cc1cccs1 ZINC000006926840 342786251 /nfs/dbraw/zinc/78/62/51/342786251.db2.gz SKHWZJHYEHVEDU-UHFFFAOYSA-N -1 0 246.287 2.872 50 0 BFAARM O=C([O-])c1cnc2cccc(C(F)(F)F)c2c1 ZINC000139401877 361902986 /nfs/dbraw/zinc/90/29/86/361902986.db2.gz ANUJNRFBZLQMPT-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM Cc1c(Cl)ccc2c(O)c(C(=O)[O-])cnc12 ZINC000009332101 342813162 /nfs/dbraw/zinc/81/31/62/342813162.db2.gz KIGXAPARJYAEQL-UHFFFAOYSA-N -1 0 237.642 2.600 50 0 BFAARM O=C([O-])c1ccc(-c2ccncc2)s1 ZINC000009407391 342815102 /nfs/dbraw/zinc/81/51/02/342815102.db2.gz OJOWGMLSJKRJNV-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C1CCCC1 ZINC000013169689 178443016 /nfs/dbraw/zinc/44/30/16/178443016.db2.gz FTTAGXIQQDJSMF-UHFFFAOYSA-N -1 0 247.294 2.822 50 0 BFAARM Cc1ccc(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000002245613 178446637 /nfs/dbraw/zinc/44/66/37/178446637.db2.gz BYAPPOMPFRZHTN-OLZOCXBDSA-N -1 0 246.306 2.987 50 0 BFAARM O=C([O-])[C@H](Cc1ccco1)c1ccc(F)cc1 ZINC000011588745 342841803 /nfs/dbraw/zinc/84/18/03/342841803.db2.gz YANQZTBKCPDDFL-GFCCVEGCSA-N -1 0 234.226 2.830 50 0 BFAARM COc1ccc([C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000011628826 342842073 /nfs/dbraw/zinc/84/20/73/342842073.db2.gz UYGYHNKELYLFSA-LBPRGKRZSA-N -1 0 220.268 2.664 50 0 BFAARM Cc1csc(Cc2ccc(C(=O)[O-])cc2)n1 ZINC000011729865 342842670 /nfs/dbraw/zinc/84/26/70/342842670.db2.gz JLMRUPVVDKMOHY-UHFFFAOYSA-N -1 0 233.292 2.741 50 0 BFAARM O=C([O-])c1csc(C2CCCCC2)n1 ZINC000011760900 342843332 /nfs/dbraw/zinc/84/33/32/342843332.db2.gz SPAVOOMEYUWSIW-UHFFFAOYSA-N -1 0 211.286 2.889 50 0 BFAARM O=C([O-])c1cc2ccc(F)cc2nc1Cl ZINC000011985716 342845756 /nfs/dbraw/zinc/84/57/56/342845756.db2.gz MHGHQQPGIMHFEW-UHFFFAOYSA-N -1 0 225.606 2.726 50 0 BFAARM CCc1ccc(-n2cccc2C(=O)[O-])cc1 ZINC000012404846 342851594 /nfs/dbraw/zinc/85/15/94/342851594.db2.gz FMZDDVCDBHSVIG-UHFFFAOYSA-N -1 0 215.252 2.738 50 0 BFAARM Cc1cnc(C)c(-c2ccc(C(=O)[O-])s2)n1 ZINC000032590575 342854204 /nfs/dbraw/zinc/85/42/04/342854204.db2.gz UFMMSNDDFGPXLP-UHFFFAOYSA-N -1 0 234.280 2.520 50 0 BFAARM CCCCOc1cc(OC)ccc1C(=O)[O-] ZINC000011886471 342843980 /nfs/dbraw/zinc/84/39/80/342843980.db2.gz SMCKTGDZPSRAJW-UHFFFAOYSA-N -1 0 224.256 2.572 50 0 BFAARM O=C([O-])c1cncc(-c2cccc(F)c2)c1 ZINC000012955787 342861893 /nfs/dbraw/zinc/86/18/93/342861893.db2.gz JARUBMHXTMGGFA-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM O=C([O-])c1cncc(-c2ccccc2F)c1 ZINC000012955784 342861999 /nfs/dbraw/zinc/86/19/99/342861999.db2.gz UEEMCRBSNWWVAA-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013427744 342866621 /nfs/dbraw/zinc/86/66/21/342866621.db2.gz KXSMRHCHMHJBGS-LBPRGKRZSA-N -1 0 249.310 2.509 50 0 BFAARM CCCCc1c(O)n(-c2ccccc2)[n-]c1=O ZINC000013813248 342872431 /nfs/dbraw/zinc/87/24/31/342872431.db2.gz REOJLIXKJWXUGB-NSHDSACASA-N -1 0 232.283 2.711 50 0 in-man BFAARM O=C([O-])[C@H](CCc1ccccc1)C(F)(F)F ZINC000016159505 342907210 /nfs/dbraw/zinc/90/72/10/342907210.db2.gz ILPBLRFRNISTEM-VIFPVBQESA-N -1 0 232.201 2.882 50 0 BFAARM O=C([O-])c1cc(-c2cccc(Cl)c2)on1 ZINC000020283765 342980373 /nfs/dbraw/zinc/98/03/73/342980373.db2.gz MSBRAMMMTSCNGV-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])c1cc(F)ccc1C(=O)c1ccccc1 ZINC000020357719 342983236 /nfs/dbraw/zinc/98/32/36/342983236.db2.gz SAUMKHGIHVGNOW-UHFFFAOYSA-N -1 0 244.221 2.755 50 0 BFAARM CC(C)C(=O)c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000022065600 343038653 /nfs/dbraw/zinc/03/86/53/343038653.db2.gz RCINGEKPKJQCMO-VIFPVBQESA-N -1 0 220.268 2.713 50 0 in-vitro BFAARM Cc1c(OC(F)(F)F)cccc1C(=O)[O-] ZINC000071606252 362013133 /nfs/dbraw/zinc/01/31/33/362013133.db2.gz RUHZYHRNERFCLT-UHFFFAOYSA-N -1 0 220.146 2.592 50 0 BFAARM O=C([O-])c1cnc2cc(C(F)(F)F)ccc2c1 ZINC000026506790 343105985 /nfs/dbraw/zinc/10/59/85/343105985.db2.gz YPYGOIBPYXRZJA-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])c1cnc2c(cccc2C(F)(F)F)c1 ZINC000026506795 343106024 /nfs/dbraw/zinc/10/60/24/343106024.db2.gz SFGJRDPCPWCNMJ-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000031829289 343225481 /nfs/dbraw/zinc/22/54/81/343225481.db2.gz WQKBKSZJAIBOED-DTWKUNHWSA-N -1 0 241.084 2.637 50 0 BFAARM O=C([O-])c1ccc(CCC(F)(F)F)cc1 ZINC000034101506 343264714 /nfs/dbraw/zinc/26/47/14/343264714.db2.gz QDORDVFNPUQXDL-UHFFFAOYSA-N -1 0 218.174 2.880 50 0 BFAARM COc1ccc(CCCC(=O)[O-])c(Cl)c1 ZINC000036768802 343323808 /nfs/dbraw/zinc/32/38/08/343323808.db2.gz QJVIFSDPCIMMKF-UHFFFAOYSA-N -1 0 228.675 2.756 50 0 BFAARM Cc1cccc(-c2ccc(C(=O)[O-])cn2)c1 ZINC000035630081 343300877 /nfs/dbraw/zinc/30/08/77/343300877.db2.gz UMRDKPQRPNBCAY-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM O=C([O-])c1cccc(Nc2nccs2)c1 ZINC000036276437 343313459 /nfs/dbraw/zinc/31/34/59/343313459.db2.gz HBIGPTCLOQMDDG-UHFFFAOYSA-N -1 0 220.253 2.585 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1ccccc1Br ZINC000037380951 343344304 /nfs/dbraw/zinc/34/43/04/343344304.db2.gz SJXGNJABBYVEHY-JGVFFNPUSA-N -1 0 241.084 2.637 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1ccccc1Br ZINC000037380948 343344435 /nfs/dbraw/zinc/34/44/35/343344435.db2.gz SJXGNJABBYVEHY-SFYZADRCSA-N -1 0 241.084 2.637 50 0 BFAARM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000040377474 343401094 /nfs/dbraw/zinc/40/10/94/343401094.db2.gz UVYGEBYOPXXJMX-SSDOTTSWSA-N -1 0 232.201 2.969 50 0 BFAARM O=C([O-])c1c(Cl)cc(Cl)nc1Cl ZINC000042684233 343447606 /nfs/dbraw/zinc/44/76/06/343447606.db2.gz XORBTGOVTLGEOU-UHFFFAOYSA-N -1 0 226.446 2.740 50 0 BFAARM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000043512206 343476266 /nfs/dbraw/zinc/47/62/66/343476266.db2.gz KOPLOHWBAJQCOI-ZETCQYMHSA-N -1 0 232.201 2.969 50 0 BFAARM O=C([O-])c1cccc(CC(=O)c2ccccc2)c1 ZINC000043214129 343465825 /nfs/dbraw/zinc/46/58/25/343465825.db2.gz HTDCVDAWNDDIMJ-UHFFFAOYSA-N -1 0 240.258 2.810 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000043388973 343469361 /nfs/dbraw/zinc/46/93/61/343469361.db2.gz WLBMRAWVMMPUAI-NKWVEPMBSA-N -1 0 214.623 2.667 50 0 BFAARM O=C([O-])Cc1ccccc1Oc1ccncc1 ZINC000157391880 344186629 /nfs/dbraw/zinc/18/66/29/344186629.db2.gz PYPLWOSICDSXIT-UHFFFAOYSA-N -1 0 229.235 2.501 50 0 BFAARM O=C([O-])c1cccc(/N=C/c2cccc(O)c2)c1 ZINC000000571052 347033277 /nfs/dbraw/zinc/03/32/77/347033277.db2.gz MYCZGNIIZMLLFV-OQLLNIDSSA-N -1 0 241.246 2.841 50 0 BFAARM Cc1ccc(Oc2ccc(C(=O)[O-])nc2)cc1 ZINC000033866526 178820198 /nfs/dbraw/zinc/82/01/98/178820198.db2.gz MEZPFPIEWBDABE-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM Cc1cccc(C)c1C(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000043879205 179033075 /nfs/dbraw/zinc/03/30/75/179033075.db2.gz YJKRDFOFRNIAIY-VXGBXAGGSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1cccc(C(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000083327594 179026629 /nfs/dbraw/zinc/02/66/29/179026629.db2.gz LCRAIEWQRNEROC-RYUDHWBXSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1onc(-c2cccc(C)c2C)c1C(=O)[O-] ZINC000078703157 537968018 /nfs/dbraw/zinc/96/80/18/537968018.db2.gz YDKGHPFMHAUOTG-UHFFFAOYSA-N -1 0 231.251 2.965 50 0 BFAARM O=C([O-])c1sccc1CCc1ccco1 ZINC000000480802 346658406 /nfs/dbraw/zinc/65/84/06/346658406.db2.gz JAVOTFWMSDPILM-UHFFFAOYSA-N -1 0 222.265 2.825 50 0 BFAARM Cc1ccccc1-c1ccnc(C(=O)[O-])c1 ZINC000065347042 179236240 /nfs/dbraw/zinc/23/62/40/179236240.db2.gz ZXFMGZZZDLAMEX-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM O=C([O-])C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000000157278 187407419 /nfs/dbraw/zinc/40/74/19/187407419.db2.gz GMOBHRQSNDDZAD-JZVMUCMXSA-N -1 0 214.692 2.649 50 0 BFAARM Cc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000003847474 187410944 /nfs/dbraw/zinc/41/09/44/187410944.db2.gz ICQOWIXIHDDXDI-UHFFFAOYSA-N -1 0 240.258 2.924 50 0 BFAARM Cc1coc(-c2ccccc2)c1C(=O)[O-] ZINC000034548332 179752052 /nfs/dbraw/zinc/75/20/52/179752052.db2.gz ORZRBEPYWGWRBV-UHFFFAOYSA-N -1 0 202.209 2.953 50 0 BFAARM Cc1ccc(CSCCC(=O)[O-])cc1 ZINC000002149706 190973375 /nfs/dbraw/zinc/97/33/75/190973375.db2.gz IUGBHTAZBLVTJT-UHFFFAOYSA-N -1 0 210.298 2.703 50 0 BFAARM Cc1nc(=O)c2sc3cccc(F)c3c2[n-]1 ZINC000021774834 180073118 /nfs/dbraw/zinc/07/31/18/180073118.db2.gz NTWCXTCDDCKEOD-UHFFFAOYSA-N -1 0 234.255 2.585 50 0 BFAARM Cc1nc2c(s1)CCc1oc(C(=O)[O-])c(C)c1-2 ZINC000006757160 180074574 /nfs/dbraw/zinc/07/45/74/180074574.db2.gz IPIMDELNVOEPIN-UHFFFAOYSA-N -1 0 249.291 2.817 50 0 BFAARM O=C([O-])c1ccc(COc2cccc(F)c2)o1 ZINC000008378262 350142794 /nfs/dbraw/zinc/14/27/94/350142794.db2.gz UJAQNRUQURRIAO-UHFFFAOYSA-N -1 0 236.198 2.696 50 0 BFAARM CC(=O)C=C([O-])c1ccccc1Br ZINC000100347767 191063024 /nfs/dbraw/zinc/06/30/24/191063024.db2.gz AVVHUCUHNBSRJB-UHFFFAOYSA-N -1 0 241.084 2.611 50 0 BFAARM Cc1nccc(-c2ccccc2)c1C(=O)[O-] ZINC000054957053 180179971 /nfs/dbraw/zinc/17/99/71/180179971.db2.gz FSMZYQNQFJDUJI-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1cccc(Nc2nc(C(=O)[O-])cs2)c1 ZINC000033507872 350237442 /nfs/dbraw/zinc/23/74/42/350237442.db2.gz FVHFQAHOEOAARQ-UHFFFAOYSA-N -1 0 234.280 2.893 50 0 BFAARM O=C([O-])c1cnc2oc(-c3ccccc3)nc2c1 ZINC000040449305 350365156 /nfs/dbraw/zinc/36/51/56/350365156.db2.gz NHMZFSOMFQBYDM-UHFFFAOYSA-N -1 0 240.218 2.588 50 0 BFAARM Cc1nn(-c2ccccc2)c(C)c1CCC(=O)[O-] ZINC000000279757 180329172 /nfs/dbraw/zinc/32/91/72/180329172.db2.gz MWQSXCADNTVCPO-UHFFFAOYSA-N -1 0 244.294 2.506 50 0 BFAARM Cc1sc(C)c(-c2ccncn2)c1C(=O)[O-] ZINC000005921287 351318783 /nfs/dbraw/zinc/31/87/83/351318783.db2.gz XBQPPVLSOGFWJZ-UHFFFAOYSA-N -1 0 234.280 2.520 50 0 BFAARM CCc1nc2cc(C)c(C)cc2nc1C(=O)[O-] ZINC000604941593 352408387 /nfs/dbraw/zinc/40/83/87/352408387.db2.gz QYLXQKSKVMHICF-UHFFFAOYSA-N -1 0 230.267 2.507 50 0 BFAARM O=C([O-])c1ccc(F)c(C(F)(F)F)c1 ZINC000000057041 187755382 /nfs/dbraw/zinc/75/53/82/187755382.db2.gz WZBPZYCJUADXRS-UHFFFAOYSA-N -1 0 208.110 2.543 50 0 BFAARM Cc1cc(C(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000011801992 187760388 /nfs/dbraw/zinc/76/03/88/187760388.db2.gz ZJZSTSGENIKDPP-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000009189769 188104025 /nfs/dbraw/zinc/10/40/25/188104025.db2.gz CADPUALMFMAHDY-UHFFFAOYSA-N -1 0 219.265 2.696 50 0 BFAARM O=C([O-])c1c(F)cc(Cl)cc1Cl ZINC000040571344 188118520 /nfs/dbraw/zinc/11/85/20/188118520.db2.gz RGGDLWPZNITCMJ-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM CC=C(C)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000067642284 188128960 /nfs/dbraw/zinc/12/89/60/188128960.db2.gz AQMMWXBTWXHHET-XVNBXDOJSA-N -1 0 216.240 2.684 50 0 BFAARM Cc1ccc(F)cc1C(=O)C[C@@H](C)CC(=O)[O-] ZINC000085652154 188143762 /nfs/dbraw/zinc/14/37/62/188143762.db2.gz CNZHUZIDDMGKNP-MRVPVSSYSA-N -1 0 238.258 2.818 50 0 BFAARM CC(C)[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000004046691 188157064 /nfs/dbraw/zinc/15/70/64/188157064.db2.gz BBWMQSIVQSDBJA-GHMZBOCLSA-N -1 0 228.332 2.939 50 0 biogenic BFAARM CC(C)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000019091256 188461236 /nfs/dbraw/zinc/46/12/36/188461236.db2.gz ZUZOSTFYGLSNRP-UHFFFAOYSA-N -1 0 232.239 2.558 50 0 BFAARM CC(=O)c1ccc([C@H](C)CCC(=O)[O-])cc1 ZINC000000271997 188450734 /nfs/dbraw/zinc/45/07/34/188450734.db2.gz DGTNPYOULHICNW-SECBINFHSA-N -1 0 220.268 2.858 50 0 biogenic BFAARM CCCCOc1cc(F)cc(C(=O)[O-])c1 ZINC000095732470 355770464 /nfs/dbraw/zinc/77/04/64/355770464.db2.gz CITURDNNQNVHFZ-UHFFFAOYSA-N -1 0 212.220 2.703 50 0 BFAARM CC(C)(C)OC(=O)Nc1cscc1C(=O)[O-] ZINC000034458333 356367718 /nfs/dbraw/zinc/36/77/18/356367718.db2.gz XYOGFDWFZFHNTL-UHFFFAOYSA-N -1 0 243.284 2.793 50 0 BFAARM Cc1onc(-c2ccc(C)cc2F)c1C(=O)[O-] ZINC000675058188 538481166 /nfs/dbraw/zinc/48/11/66/538481166.db2.gz XSNRCYCEPCQMEQ-UHFFFAOYSA-N -1 0 235.214 2.796 50 0 BFAARM CCCCSc1nc(=NC(=O)OC)s[n-]1 ZINC000006397833 358009003 /nfs/dbraw/zinc/00/90/03/358009003.db2.gz DSKJBDTUILRCRH-UHFFFAOYSA-N -1 0 247.345 2.609 50 0 BFAARM O=C([O-])CCc1cccc2ccccc21 ZINC000000155621 359618251 /nfs/dbraw/zinc/61/82/51/359618251.db2.gz PRLKVVMRQFFIOQ-UHFFFAOYSA-N -1 0 200.237 2.857 50 0 biogenic BFAARM CCc1ccc(-n2c(C)n[n-]c2=S)cc1 ZINC000005823282 360498383 /nfs/dbraw/zinc/49/83/83/360498383.db2.gz UTRPRTZAONVXSZ-UHFFFAOYSA-N -1 0 219.313 2.801 50 0 BFAARM CCCCNc1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000169751224 361029763 /nfs/dbraw/zinc/02/97/63/361029763.db2.gz IRPSAIQKIMNWDW-UHFFFAOYSA-N -1 0 237.303 2.510 50 0 BFAARM O=C([O-])c1c(-c2ccco2)noc1C(F)F ZINC000675057341 541462854 /nfs/dbraw/zinc/46/28/54/541462854.db2.gz BXZLIESGCBMWOF-UHFFFAOYSA-N -1 0 229.138 2.570 50 0 BFAARM CCCCCc1cc(O)c(C(=O)[O-])c(O)c1 ZINC000033828752 368374728 /nfs/dbraw/zinc/37/47/28/368374728.db2.gz KVTHCMJOLDRHCA-UHFFFAOYSA-N -1 0 224.256 2.529 50 0 BFAARM CC(C)(C)OC(=O)CCCCCCC(=O)[O-] ZINC000138990580 368390817 /nfs/dbraw/zinc/39/08/17/368390817.db2.gz BONUHUQZCZQQEN-UHFFFAOYSA-N -1 0 230.304 2.753 50 0 BFAARM O=C(Nc1cc(Cl)c([O-])cc1F)C1CC1 ZINC000170206909 182347932 /nfs/dbraw/zinc/34/79/32/182347932.db2.gz YVIDIHSEPYODDD-UHFFFAOYSA-N -1 0 229.638 2.533 50 0 BFAARM O=C([O-])/C=C/c1ccccc1C(F)(F)F ZINC000000120060 182412873 /nfs/dbraw/zinc/41/28/73/182412873.db2.gz AMVYAIXPAGBXOM-AATRIKPKSA-N -1 0 216.158 2.803 50 0 in-vitro BFAARM O=C([O-])/C=C\c1ccc(Br)s1 ZINC000033681340 182414645 /nfs/dbraw/zinc/41/46/45/182414645.db2.gz UNAWXLDSXIIUFC-RQOWECAXSA-N -1 0 233.086 2.608 50 0 BFAARM O=C([O-])/C=C/c1ccc(OC2CCCCC2)nc1 ZINC000012359613 182411880 /nfs/dbraw/zinc/41/18/80/182411880.db2.gz IJXDMGVEYUSJNI-VQHVLOKHSA-N -1 0 247.294 2.891 50 0 BFAARM O=C([O-])CCCc1c[nH]c2ccccc12 ZINC000000057378 182441478 /nfs/dbraw/zinc/44/14/78/182441478.db2.gz JTEDVYBZBROSJT-UHFFFAOYSA-N -1 0 203.241 2.575 50 0 endogenous,in-man BFAARM O=C([O-])Cc1cccc(C(F)(F)F)c1Cl ZINC000002528375 182492317 /nfs/dbraw/zinc/49/23/17/182492317.db2.gz JZEWYZAIWWNAPZ-UHFFFAOYSA-N -1 0 238.592 2.986 50 0 BFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)c1ccccc1 ZINC000000323277 182533000 /nfs/dbraw/zinc/53/30/00/182533000.db2.gz JJALHZDTTJJYCI-NEPJUHHUSA-N -1 0 230.263 2.536 50 0 BFAARM O=C([O-])c1cc(Cl)c2ccccc2c1O ZINC000004014517 182554451 /nfs/dbraw/zinc/55/44/51/182554451.db2.gz XRWGZDGUXYNIOS-UHFFFAOYSA-N -1 0 222.627 2.897 50 0 BFAARM O=C([O-])c1ccc2[nH]cc(Br)c2c1 ZINC000042684388 182572188 /nfs/dbraw/zinc/57/21/88/182572188.db2.gz VCNFRMMIMOPFGP-UHFFFAOYSA-N -1 0 240.056 2.629 50 0 BFAARM O=C([O-])c1cc2cc(C(F)(F)F)ccc2[nH]1 ZINC000002384078 182559542 /nfs/dbraw/zinc/55/95/42/182559542.db2.gz FYRRCNKOGMDNSI-UHFFFAOYSA-N -1 0 229.157 2.885 50 0 BFAARM O=C([O-])c1cccn1-c1cccc(Cl)c1 ZINC000012404898 182583047 /nfs/dbraw/zinc/58/30/47/182583047.db2.gz ZVSMRQZUHLURDQ-UHFFFAOYSA-N -1 0 221.643 2.829 50 0 BFAARM O=C([O-])c1cccc(NCc2ccccc2)c1 ZINC000000258746 182577415 /nfs/dbraw/zinc/57/74/15/182577415.db2.gz RKALJCTZDXYJDQ-UHFFFAOYSA-N -1 0 227.263 2.997 50 0 BFAARM O=C([O-])c1cnoc1-c1ccc(Cl)cc1 ZINC000008700108 182593235 /nfs/dbraw/zinc/59/32/35/182593235.db2.gz QYWAKMRGJVKMRO-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM CCCCn1cnc2cc(C(=O)[O-])ccc21 ZINC000021007851 169036402 /nfs/dbraw/zinc/03/64/02/169036402.db2.gz KFQYHZOAIVAGPG-UHFFFAOYSA-N -1 0 218.256 2.535 50 0 BFAARM O=c1[n-]c(=S)[nH]nc1-c1ccc(Cl)cc1 ZINC000000164602 183252854 /nfs/dbraw/zinc/25/28/54/183252854.db2.gz WZQDZVLDLWWPCH-UHFFFAOYSA-N -1 0 239.687 2.560 50 0 BFAARM [O-]c1ccc(C(=S)N2CCCC2)cc1Cl ZINC000000611988 183268188 /nfs/dbraw/zinc/26/81/88/183268188.db2.gz PLOCQAZIZXZKDR-UHFFFAOYSA-N -1 0 241.743 2.817 50 0 BFAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccccn1 ZINC000100139158 183257095 /nfs/dbraw/zinc/25/70/95/183257095.db2.gz GHSRLQHTSTVQNM-UHFFFAOYSA-N -1 0 237.262 2.640 50 0 BFAARM O=c1cc(-c2ccco2)[n-]n1-c1ccccc1 ZINC000100496505 183257625 /nfs/dbraw/zinc/25/76/25/183257625.db2.gz LJWKEOLULDABCT-UHFFFAOYSA-N -1 0 226.235 2.838 50 0 BFAARM CCCOc1ccc(C(=O)[O-])c(OC(C)C)c1 ZINC000035414276 169317251 /nfs/dbraw/zinc/31/72/51/169317251.db2.gz GFYZTRCCNNMMKA-UHFFFAOYSA-N -1 0 238.283 2.961 50 0 BFAARM CCCOc1c(Cl)cc(C(=O)[O-])cc1OC ZINC000002140790 169313938 /nfs/dbraw/zinc/31/39/38/169313938.db2.gz VDZBTNGCKVYNFY-UHFFFAOYSA-N -1 0 244.674 2.836 50 0 BFAARM CCCOc1ccc(C(=O)[O-])c(OCCC)c1 ZINC000035414278 169316924 /nfs/dbraw/zinc/31/69/24/169316924.db2.gz CALCUEXAMCWWSE-UHFFFAOYSA-N -1 0 238.283 2.962 50 0 BFAARM CCCNc1cc(Cl)ccc1C(=O)[O-] ZINC000062787289 169293699 /nfs/dbraw/zinc/29/36/99/169293699.db2.gz KFNCXYRVCUMNIQ-UHFFFAOYSA-N -1 0 213.664 2.860 50 0 BFAARM CCC[C@@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000000570206 169372603 /nfs/dbraw/zinc/37/26/03/169372603.db2.gz DSLOIDXSXSKJBP-SECBINFHSA-N -1 0 208.257 2.952 50 0 BFAARM CC(C)(C)OCc1ccc(C(=O)[O-])cc1 ZINC000002386894 166684305 /nfs/dbraw/zinc/68/43/05/166684305.db2.gz HXNWRKOKHLXUQN-UHFFFAOYSA-N -1 0 208.257 2.700 50 0 BFAARM CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000000001187 383818040 /nfs/dbraw/zinc/81/80/40/383818040.db2.gz TXCGAZHTZHNUAI-UHFFFAOYSA-N -1 0 214.648 2.582 50 0 world BFAARM O=C([O-])/C=C/c1ccc(Br)cc1F ZINC000000057075 383822069 /nfs/dbraw/zinc/82/20/69/383822069.db2.gz SVJGKQYKYNDYMU-DUXPYHPUSA-N -1 0 245.047 2.686 50 0 BFAARM CC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000000156199 383836245 /nfs/dbraw/zinc/83/62/45/383836245.db2.gz CJFYGRLJDKWMDI-UHFFFAOYSA-N -1 0 205.040 2.902 50 0 BFAARM CC(C)COc1ccc(/C=C/C(=O)[O-])cc1 ZINC000000266099 383847146 /nfs/dbraw/zinc/84/71/46/383847146.db2.gz NZUIHGSLMBYAMW-VMPITWQZSA-N -1 0 220.268 2.819 50 0 biogenic BFAARM Cc1ccc(C(=O)[O-])cc1-c1ccc(C=O)o1 ZINC000000459741 383867893 /nfs/dbraw/zinc/86/78/93/383867893.db2.gz KOCXJZFYVLACQC-UHFFFAOYSA-N -1 0 230.219 2.766 50 0 BFAARM Cc1cccc(NC(=O)c2ccco2)c1C(=O)[O-] ZINC000000152175 383834147 /nfs/dbraw/zinc/83/41/47/383834147.db2.gz XKPYDYNULACEJJ-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM CCCC(C(=O)OCC)=C([O-])c1ccccc1 ZINC000001697123 383925617 /nfs/dbraw/zinc/92/56/17/383925617.db2.gz VGSIFKKEDZIPEN-LBPRGKRZSA-N -1 0 234.295 2.849 50 0 BFAARM COc1ncccc1-c1ccc(C(=O)[O-])cc1C ZINC000067541188 383929108 /nfs/dbraw/zinc/92/91/08/383929108.db2.gz MGDHVIJPWSQAGD-UHFFFAOYSA-N -1 0 243.262 2.764 50 0 BFAARM O=C([O-])CCCc1cccc(Br)c1 ZINC000036179808 383886119 /nfs/dbraw/zinc/88/61/19/383886119.db2.gz MJSLVHKDBWJPCL-UHFFFAOYSA-N -1 0 243.100 2.856 50 0 BFAARM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000002574079 383979038 /nfs/dbraw/zinc/97/90/38/383979038.db2.gz JCEAFZUEUSBESW-UHFFFAOYSA-N -1 0 226.231 2.864 50 0 BFAARM O=C([O-])CCc1ccc(OC(F)(F)F)cc1 ZINC000002572794 383979300 /nfs/dbraw/zinc/97/93/00/383979300.db2.gz RRPISZJLUXOOCL-UHFFFAOYSA-N -1 0 234.173 2.602 50 0 BFAARM Cc1nc(/C=C/C(=O)[O-])oc1-c1ccccc1 ZINC000003091287 383997450 /nfs/dbraw/zinc/99/74/50/383997450.db2.gz QHOZMZBMSIFQMJ-BQYQJAHWSA-N -1 0 229.235 2.748 50 0 BFAARM O=C([O-])c1cnc2onc(C3CCCC3)c2c1 ZINC000068589964 383999240 /nfs/dbraw/zinc/99/92/40/383999240.db2.gz OROQPHVHBNAGML-UHFFFAOYSA-N -1 0 232.239 2.579 50 0 BFAARM O=C([O-])[C@]12CC=CC[C@@H]1Cc1ccccc12 ZINC000071773120 384000695 /nfs/dbraw/zinc/00/06/95/384000695.db2.gz JVYUXASPSRCULN-BXUZGUMPSA-N -1 0 214.264 2.531 50 0 BFAARM O=C([O-])CCCCC(=O)c1cc(F)cc(F)c1 ZINC000002378682 383958718 /nfs/dbraw/zinc/95/87/18/383958718.db2.gz GPRSZBJFIFKPIA-UHFFFAOYSA-N -1 0 242.221 2.793 50 0 BFAARM O=C([O-])COc1ccc(Cc2ccccc2)cc1 ZINC000002455994 383964923 /nfs/dbraw/zinc/96/49/23/383964923.db2.gz ABTNKWXRXNGUMG-UHFFFAOYSA-N -1 0 242.274 2.741 50 0 BFAARM O=Cc1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000002525618 383971882 /nfs/dbraw/zinc/97/18/82/383971882.db2.gz ZNULJIUYCWDSRX-UHFFFAOYSA-N -1 0 226.231 2.864 50 0 BFAARM O=Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC000002525617 383972046 /nfs/dbraw/zinc/97/20/46/383972046.db2.gz NXEWGTWUNXITOI-UHFFFAOYSA-N -1 0 226.231 2.864 50 0 BFAARM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC000037380685 383974190 /nfs/dbraw/zinc/97/41/90/383974190.db2.gz IHYYDFPEYUTJFS-XAVMHZPKSA-N -1 0 206.241 2.591 50 0 BFAARM O=C([O-])/C=C/c1ccc(C(F)(F)F)c(F)c1 ZINC000002560189 383976682 /nfs/dbraw/zinc/97/66/82/383976682.db2.gz LUEWWWLVURRLNN-DUXPYHPUSA-N -1 0 234.148 2.942 50 0 BFAARM CCc1ccc2nc(C)cc(C(=O)[O-])c2c1 ZINC000003757160 384025618 /nfs/dbraw/zinc/02/56/18/384025618.db2.gz KWMQXUJWBOCQSS-UHFFFAOYSA-N -1 0 215.252 2.804 50 0 BFAARM O=C([O-])CSCc1ccc(Cl)s1 ZINC000003416080 384009442 /nfs/dbraw/zinc/00/94/42/384009442.db2.gz ZVDHVAAVVIVDBM-UHFFFAOYSA-N -1 0 222.718 2.719 50 0 BFAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)[O-] ZINC000004207035 384043894 /nfs/dbraw/zinc/04/38/94/384043894.db2.gz LPBSLIRPWIFCQT-UHFFFAOYSA-N -1 0 237.255 2.956 50 0 BFAARM O=C([O-])c1ccccc1SC[C@H]1CCCO1 ZINC000004207222 384045308 /nfs/dbraw/zinc/04/53/08/384045308.db2.gz JSIXPZCPPOPSCY-SECBINFHSA-N -1 0 238.308 2.656 50 0 BFAARM O=C([O-])CCCC(=O)c1ccc(Cl)s1 ZINC000004253768 384050032 /nfs/dbraw/zinc/05/00/32/384050032.db2.gz DJQOCQPXZYBTPA-UHFFFAOYSA-N -1 0 232.688 2.839 50 0 BFAARM O=C([O-])CCc1ccc(F)c(C(F)(F)F)c1 ZINC000038529615 384087078 /nfs/dbraw/zinc/08/70/78/384087078.db2.gz ITZBWMABBUYCQB-UHFFFAOYSA-N -1 0 236.164 2.862 50 0 BFAARM COc1c(Cl)ccc(CCC(=O)[O-])c1F ZINC000091252026 384112287 /nfs/dbraw/zinc/11/22/87/384112287.db2.gz MJIGCENLUSLAFF-UHFFFAOYSA-N -1 0 232.638 2.505 50 0 BFAARM CC(C)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000039234489 384112571 /nfs/dbraw/zinc/11/25/71/384112571.db2.gz IIUOJSGKSMQGAQ-LBPRGKRZSA-N -1 0 206.285 2.976 50 0 BFAARM O=C([O-])C1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000005753675 384127934 /nfs/dbraw/zinc/12/79/34/384127934.db2.gz UYWUAFUTOZDQED-UHFFFAOYSA-N -1 0 245.061 2.854 50 0 BFAARM O=C([O-])CCSCc1ccc(F)cc1 ZINC000006221553 384148522 /nfs/dbraw/zinc/14/85/22/384148522.db2.gz YZLXUAJXYSPKAE-UHFFFAOYSA-N -1 0 214.261 2.534 50 0 BFAARM O=C1c2ccccc2Cc2cccc(O)c21 ZINC000006117388 384145952 /nfs/dbraw/zinc/14/59/52/384145952.db2.gz AXHRXVXCOMMNLG-UHFFFAOYSA-N -1 0 210.232 2.527 50 0 in-vivo BFAARM O=C([O-])CCCOc1cccc(C(F)(F)F)c1 ZINC000006678057 384162986 /nfs/dbraw/zinc/16/29/86/384162986.db2.gz BROOMGSHOWKNNX-UHFFFAOYSA-N -1 0 248.200 2.949 50 0 BFAARM Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)[O-] ZINC000041272047 384185175 /nfs/dbraw/zinc/18/51/75/384185175.db2.gz AZJGRTCDZBQXFC-UHFFFAOYSA-N -1 0 236.658 2.737 50 0 in-vitro BFAARM CCSC(=S)[N-]Nc1ccccc1 ZINC000071774217 384177877 /nfs/dbraw/zinc/17/78/77/384177877.db2.gz BHSUQKUYVDIWLM-UHFFFAOYSA-N -1 0 212.343 2.641 50 0 BFAARM O=C([O-])Cc1ccc(Oc2ccncc2)cc1 ZINC000042415518 384217498 /nfs/dbraw/zinc/21/74/98/384217498.db2.gz DIHMHEGBWXOEAO-UHFFFAOYSA-N -1 0 229.235 2.501 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000043878982 384305550 /nfs/dbraw/zinc/30/55/50/384305550.db2.gz CCKRTGYZDFMFMB-NWDGAFQWSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1cc(C(=O)[O-])c2cnn(C3CCCC3)c2n1 ZINC000012357797 384314623 /nfs/dbraw/zinc/31/46/23/384314623.db2.gz GARVQEXMFKOXRF-UHFFFAOYSA-N -1 0 245.282 2.553 50 0 BFAARM CC[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000011628787 384293251 /nfs/dbraw/zinc/29/32/51/384293251.db2.gz PWZOXDFQHQZWLK-SECBINFHSA-N -1 0 208.257 2.664 50 0 BFAARM Cc1noc2nc(C(C)(C)C)cc(C(=O)[O-])c12 ZINC000095095761 384365671 /nfs/dbraw/zinc/36/56/71/384365671.db2.gz ORXUVRDBOBXRHG-UHFFFAOYSA-N -1 0 234.255 2.527 50 0 BFAARM O=C([O-])C[C@H]1CC=C(c2noc(C3CC3)n2)CC1 ZINC000045795877 384407973 /nfs/dbraw/zinc/40/79/73/384407973.db2.gz UPKFPAPOABGCBD-QMMMGPOBSA-N -1 0 248.282 2.605 50 0 BFAARM O=C([O-])[C@@H](CCNc1ccccc1)C(F)(F)F ZINC000095919637 384408690 /nfs/dbraw/zinc/40/86/90/384408690.db2.gz UZCZPGYHAUYITA-SECBINFHSA-N -1 0 247.216 2.752 50 0 BFAARM Cc1c(F)c(C(F)(F)F)ccc1C(=O)[O-] ZINC000096034438 384427166 /nfs/dbraw/zinc/42/71/66/384427166.db2.gz JECYHAUUPAXQEF-UHFFFAOYSA-N -1 0 222.137 2.851 50 0 BFAARM COc1ccc([C@@H](C(=O)[O-])C(C)C)cc1OC ZINC000019726440 384533759 /nfs/dbraw/zinc/53/37/59/384533759.db2.gz KPNHIRIAXDSTAM-LBPRGKRZSA-N -1 0 238.283 2.528 50 0 BFAARM Cc1cc(C)c2cc(C(=O)[O-])sc2n1 ZINC000020268149 384606101 /nfs/dbraw/zinc/60/61/01/384606101.db2.gz OKPHGWXJQSOYAX-UHFFFAOYSA-N -1 0 207.254 2.611 50 0 BFAARM O=C([O-])c1ccc2c(Cl)cccc2n1 ZINC000098178514 384599489 /nfs/dbraw/zinc/59/94/89/384599489.db2.gz MQPSPUQAPOBPSB-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1sc(Cl)cc1Br ZINC000098181025 384602008 /nfs/dbraw/zinc/60/20/08/384602008.db2.gz UUFGVWIEWQOHBP-UHFFFAOYSA-N -1 0 241.493 2.862 50 0 BFAARM O=C([O-])c1ccc(OCc2ccccc2)c(O)c1 ZINC000082048926 384643984 /nfs/dbraw/zinc/64/39/84/384643984.db2.gz ANRLTZBTFFXIPU-UHFFFAOYSA-N -1 0 244.246 2.669 50 0 BFAARM O=C([O-])C(=S)Cc1ccc(Cl)cc1 ZINC000100535442 384647219 /nfs/dbraw/zinc/64/72/19/384647219.db2.gz VYZXSVKKNPHGGV-VMPITWQZSA-N -1 0 214.673 2.695 50 0 in-vitro BFAARM O=C1c2ccccc2C2c3ccccc3C([O-])=C12 ZINC000100660803 384649819 /nfs/dbraw/zinc/64/98/19/384649819.db2.gz FGDWPCUKCIMMDG-UHFFFAOYSA-N -1 0 234.254 2.827 50 0 BFAARM Cc1cc(C)cc(C2(C(=O)[O-])CCC2)c1 ZINC000021951212 384708917 /nfs/dbraw/zinc/70/89/17/384708917.db2.gz AWAARCULHRDHCK-UHFFFAOYSA-N -1 0 204.269 2.810 50 0 BFAARM O=C([O-])c1ccc(Oc2ccccc2)cn1 ZINC000083989907 384824575 /nfs/dbraw/zinc/82/45/75/384824575.db2.gz ZGOYDFUNXFOBES-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM O=C([O-])c1cc2c(ccc(Cl)c2F)[nH]1 ZINC000061717415 385135092 /nfs/dbraw/zinc/13/50/92/385135092.db2.gz GOPLNYXPDXOWSO-UHFFFAOYSA-N -1 0 213.595 2.659 50 0 BFAARM CC(C)(CC(=O)[O-])CC(=O)c1ccccc1 ZINC000061824695 385139954 /nfs/dbraw/zinc/13/99/54/385139954.db2.gz DHWPIXISWZOLGV-UHFFFAOYSA-N -1 0 220.268 2.760 50 0 BFAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)[O-] ZINC000031829482 385105910 /nfs/dbraw/zinc/10/59/10/385105910.db2.gz HBTVWEQIDYVHMD-UHFFFAOYSA-N -1 0 237.255 2.956 50 0 BFAARM O=C([O-])CCc1nc(-c2ccccc2)cs1 ZINC000033464892 385238914 /nfs/dbraw/zinc/23/89/14/385238914.db2.gz ZBGACYUBSYIFHO-UHFFFAOYSA-N -1 0 233.292 2.827 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(O)cc2)c(F)c1 ZINC000065349580 385301100 /nfs/dbraw/zinc/30/11/00/385301100.db2.gz CDPWKXUXEHMAHD-UHFFFAOYSA-N -1 0 232.210 2.897 50 0 BFAARM O=C([O-])c1ccnc(-c2ccc(F)cc2F)c1 ZINC000065347576 385301272 /nfs/dbraw/zinc/30/12/72/385301272.db2.gz LCOCFESZSLZYAV-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM Cc1cccc(-c2ccco2)c1C(=O)[O-] ZINC000065349370 385301399 /nfs/dbraw/zinc/30/13/99/385301399.db2.gz FGTLHPOMMGGQIC-UHFFFAOYSA-N -1 0 202.209 2.953 50 0 BFAARM O=C([O-])c1cc2cn(C3CC3)cc2s1 ZINC000169676684 385416572 /nfs/dbraw/zinc/41/65/72/385416572.db2.gz PYLWGOKVKDRAKU-UHFFFAOYSA-N -1 0 207.254 2.736 50 0 BFAARM O=C([O-])Cc1cccn1-c1ccc(Cl)cc1 ZINC000169676861 385416605 /nfs/dbraw/zinc/41/66/05/385416605.db2.gz SDXYFZMWTKSJLY-UHFFFAOYSA-N -1 0 235.670 2.758 50 0 BFAARM O=C([O-])Cc1cc(Cl)cc(Cl)c1F ZINC000263623364 386157509 /nfs/dbraw/zinc/15/75/09/386157509.db2.gz GUMPEJAQGRNHCF-UHFFFAOYSA-N -1 0 223.030 2.760 50 0 BFAARM Cc1c(Cl)cc(CC(=O)[O-])cc1Cl ZINC000263624591 386159032 /nfs/dbraw/zinc/15/90/32/386159032.db2.gz RUUDEZRXPBGKHQ-UHFFFAOYSA-N -1 0 219.067 2.929 50 0 BFAARM CC(C=C1SC(=O)NC1=O)=Cc1ccccc1 ZINC000001469835 386386723 /nfs/dbraw/zinc/38/67/23/386386723.db2.gz XWGJEYLUCQLPAT-JLUCNAMBSA-N -1 0 245.303 2.957 50 0 BFAARM C[C@H](Cc1cc(C(=O)[O-])on1)c1ccccc1 ZINC000299772981 386490368 /nfs/dbraw/zinc/49/03/68/386490368.db2.gz DKIKHGJOWCMMRT-SECBINFHSA-N -1 0 231.251 2.719 50 0 BFAARM O=C([O-])Cc1ccc(Cl)c(Cl)c1 ZINC000000156509 386602361 /nfs/dbraw/zinc/60/23/61/386602361.db2.gz ZOUPGSMSNQLUNW-UHFFFAOYSA-N -1 0 205.040 2.621 50 0 in-vitro BFAARM O=C([O-])[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000084325025 386944663 /nfs/dbraw/zinc/94/46/63/386944663.db2.gz HMZNQCDCGOOMDO-NWDGAFQWSA-N -1 0 204.269 2.730 50 0 BFAARM Cc1cc(C)c2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000008586250 388406101 /nfs/dbraw/zinc/40/61/01/388406101.db2.gz XAGRKPWOKCOLSZ-UHFFFAOYSA-N -1 0 246.291 2.873 50 0 BFAARM Cc1cc(-c2cncc(Cl)n2)ccc1C(=O)[O-] ZINC000022005438 177689348 /nfs/dbraw/zinc/68/93/48/177689348.db2.gz UCZDDNZWYYHJAW-UHFFFAOYSA-N -1 0 248.669 2.804 50 0 BFAARM O=C([O-])/C=C\c1nc2cccc3cccc([nH]1)c32 ZINC000169619097 397813363 /nfs/dbraw/zinc/81/33/63/397813363.db2.gz WLWIBKOIAMNPMO-FPLPWBNLSA-N -1 0 238.246 2.814 50 0 BFAARM Cc1cc(C)c2nc(C)c(C(=O)[O-])cc2c1 ZINC000004384696 397925227 /nfs/dbraw/zinc/92/52/27/397925227.db2.gz GMHYAEQGWZGISX-UHFFFAOYSA-N -1 0 215.252 2.858 50 0 BFAARM CC(C)ONC(=O)Nc1ccccc1Cl ZINC000005727328 167276383 /nfs/dbraw/zinc/27/63/83/167276383.db2.gz BQEPGVUZQWQOLU-UHFFFAOYSA-N -1 0 228.679 2.802 50 0 BFAARM CC(C)Oc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000002579981 167290090 /nfs/dbraw/zinc/29/00/90/167290090.db2.gz BUNKQFMIQRZJSY-UHFFFAOYSA-N -1 0 236.267 2.521 50 0 BFAARM CC1=CCC[C@@]1(C(=O)[O-])c1ccccc1 ZINC000217807746 168102283 /nfs/dbraw/zinc/10/22/83/168102283.db2.gz MLSYOTFEBOIWHY-ZDUSSCGKSA-N -1 0 202.253 2.749 50 0 biogenic BFAARM CC1=CCC[C@]1(C(=O)[O-])c1ccccc1 ZINC000217807665 168104799 /nfs/dbraw/zinc/10/47/99/168104799.db2.gz MLSYOTFEBOIWHY-CYBMUJFWSA-N -1 0 202.253 2.749 50 0 biogenic BFAARM CC1=Nc2ccc(C(=O)[O-])cc2C1(C)C ZINC000005416663 168137728 /nfs/dbraw/zinc/13/77/28/168137728.db2.gz QUDAPQXQGBIUAR-UHFFFAOYSA-N -1 0 203.241 2.768 50 0 in-vitro BFAARM CCOC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000000296982 170244367 /nfs/dbraw/zinc/24/43/67/170244367.db2.gz YNUBLGKVULYHIV-UHFFFAOYSA-N -1 0 249.295 2.774 50 0 BFAARM CCOc1cc(/C=C/C(=O)[O-])c(Cl)cc1O ZINC000012394614 170516168 /nfs/dbraw/zinc/51/61/68/170516168.db2.gz HKYCDNZBAZUZKS-ONEGZZNKSA-N -1 0 242.658 2.542 50 0 BFAARM CCOc1ccc(Br)cc1C(=O)[O-] ZINC000002584131 170536379 /nfs/dbraw/zinc/53/63/79/170536379.db2.gz ZCFIATVCNUJMDP-UHFFFAOYSA-N -1 0 245.072 2.546 50 0 BFAARM CC[C@@H](Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC000000334854 170946525 /nfs/dbraw/zinc/94/65/25/170946525.db2.gz GVMOTDXEGIBMCK-SECBINFHSA-N -1 0 228.675 2.890 50 0 BFAARM CC[C@@H]1CCc2sc(C(=O)[O-])cc2C1 ZINC000003887670 171060051 /nfs/dbraw/zinc/06/00/51/171060051.db2.gz NBTMCDUVHSBKQZ-SSDOTTSWSA-N -1 0 210.298 2.961 50 0 BFAARM CCc1cc(C(=O)[O-])c2c(n1)onc2C(C)C ZINC000037288878 171755857 /nfs/dbraw/zinc/75/58/57/171755857.db2.gz PTBZCNKPNPBBSM-UHFFFAOYSA-N -1 0 234.255 2.607 50 0 BFAARM CCc1nc(=O)c2sc3cccc(F)c3c2[n-]1 ZINC000021774838 172010912 /nfs/dbraw/zinc/01/09/12/172010912.db2.gz PAPBWLZOABSQLS-UHFFFAOYSA-N -1 0 248.282 2.839 50 0 BFAARM CCc1ncc(C(=O)[O-])c(-c2cccc(C)c2)n1 ZINC000032918584 172015990 /nfs/dbraw/zinc/01/59/90/172015990.db2.gz KSYZFMLQMVCNJV-UHFFFAOYSA-N -1 0 242.278 2.713 50 0 BFAARM COc1cc(C)cc2c(C)c(C(=O)[O-])oc21 ZINC000036928503 174966281 /nfs/dbraw/zinc/96/62/81/174966281.db2.gz RRQSBMXZRNEZME-UHFFFAOYSA-N -1 0 220.224 2.756 50 0 BFAARM COc1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000000409416 175033171 /nfs/dbraw/zinc/03/31/71/175033171.db2.gz YEBLYHKPTQJGEC-UHFFFAOYSA-N -1 0 218.208 2.653 50 0 BFAARM COc1ccc(C(=O)[O-])c(OCCC(C)C)c1 ZINC000042288287 175064668 /nfs/dbraw/zinc/06/46/68/175064668.db2.gz FNPAGFSEEAPODB-UHFFFAOYSA-N -1 0 238.283 2.818 50 0 BFAARM COc1ccc(C(=O)c2ccc(C)cc2)c([O-])c1 ZINC000000000500 175066076 /nfs/dbraw/zinc/06/60/76/175066076.db2.gz MJVGBKJNTFCUJM-UHFFFAOYSA-N -1 0 242.274 2.940 50 0 world BFAARM COc1ccc2c(C(=O)[O-])csc2c1 ZINC000095803779 175204097 /nfs/dbraw/zinc/20/40/97/175204097.db2.gz ZHTNKGUDSUGTBY-UHFFFAOYSA-N -1 0 208.238 2.608 50 0 BFAARM COc1ccc2ccc(OC)c(C(=O)[O-])c2c1 ZINC000039189404 175225664 /nfs/dbraw/zinc/22/56/64/175225664.db2.gz QQYIGPUPTNLBDQ-UHFFFAOYSA-N -1 0 232.235 2.555 50 0 BFAARM COc1cccc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000002581008 175234586 /nfs/dbraw/zinc/23/45/86/175234586.db2.gz RWCAHCLLXAXLGN-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM COc1cccc(Nc2ncccc2C(=O)[O-])c1 ZINC000000930770 175281078 /nfs/dbraw/zinc/28/10/78/175281078.db2.gz MLISMYSIFNNHFK-UHFFFAOYSA-N -1 0 244.250 2.532 50 0 BFAARM COc1cccc2c(C(=O)[O-])cccc12 ZINC000034568728 175298191 /nfs/dbraw/zinc/29/81/91/175298191.db2.gz XOAHGFTUIRAVTN-UHFFFAOYSA-N -1 0 202.209 2.547 50 0 BFAARM COc1cccc2c(=O)cc(C(F)(F)F)[n-]c12 ZINC000002386492 175299834 /nfs/dbraw/zinc/29/98/34/175299834.db2.gz PJTJOLUVQOIHEC-UHFFFAOYSA-N -1 0 243.184 2.968 50 0 BFAARM COc1ccccc1C(=O)CCCCC(=O)[O-] ZINC000002243632 175316515 /nfs/dbraw/zinc/31/65/15/175316515.db2.gz JBMUVGPYRUXXDZ-UHFFFAOYSA-N -1 0 236.267 2.523 50 0 BFAARM CSc1nc(C(C)(C)C)nc(C)c1C(=O)[O-] ZINC000012981408 175587011 /nfs/dbraw/zinc/58/70/11/175587011.db2.gz YHHWYPQKCGFSCI-UHFFFAOYSA-N -1 0 240.328 2.503 50 0 BFAARM C[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000020260004 175645798 /nfs/dbraw/zinc/64/57/98/175645798.db2.gz JROPKMLQQNKNMQ-LURJTMIESA-N -1 0 200.184 2.543 50 0 BFAARM C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000000393618 176004287 /nfs/dbraw/zinc/00/42/87/176004287.db2.gz LDRYOEIGQCIMEK-RXMQYKEDSA-N -1 0 235.066 2.845 50 0 BFAARM C[C@@H]1CC(=O)c2c1c(F)cc(Cl)c2[O-] ZINC000090225654 176050878 /nfs/dbraw/zinc/05/08/78/176050878.db2.gz YHSCBHAZNLOAQY-SCSAIBSYSA-N -1 0 214.623 2.875 50 0 BFAARM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000002044160 177022686 /nfs/dbraw/zinc/02/26/86/177022686.db2.gz DMJZZNRMJJGRNF-VIFPVBQESA-N -1 0 222.284 2.836 50 0 BFAARM Cc1[nH]c2ccc(Cl)cc2c1C(=O)[O-] ZINC000019724966 177512037 /nfs/dbraw/zinc/51/20/37/177512037.db2.gz SNWNOZKZEGWJPD-UHFFFAOYSA-N -1 0 209.632 2.828 50 0 BFAARM Cc1cc(F)cc(Br)c1C(=O)[O-] ZINC000039953643 262721837 /nfs/dbraw/zinc/72/18/37/262721837.db2.gz VOFBSAUUUDKWGR-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM O=C([O-])c1cccnc1-c1ccsc1 ZINC000034924630 487673401 /nfs/dbraw/zinc/67/34/01/487673401.db2.gz ANOOBNFJKSQNMY-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])[C@@H](Cc1cccc(O)c1)c1ccccc1 ZINC000058001476 487748789 /nfs/dbraw/zinc/74/87/89/487748789.db2.gz FBLXBLMCMACDSZ-AWEZNQCLSA-N -1 0 242.274 2.803 50 0 BFAARM COc1cc(-c2ccncc2)c(F)cc1C(=O)[O-] ZINC000534639537 323157138 /nfs/dbraw/zinc/15/71/38/323157138.db2.gz SUZWTHYEGVYMRO-UHFFFAOYSA-N -1 0 247.225 2.595 50 0 BFAARM Cc1nn(C)c(C(=O)[O-])c1-c1ccc(C)c(F)c1 ZINC000534666161 323158513 /nfs/dbraw/zinc/15/85/13/323158513.db2.gz PGGGTGHXLGMGAJ-UHFFFAOYSA-N -1 0 248.257 2.541 50 0 BFAARM COC(=O)c1cc(Br)ccc1[S-] ZINC000123882765 323943961 /nfs/dbraw/zinc/94/39/61/323943961.db2.gz YOAZBMQAIIZWIT-UHFFFAOYSA-N -1 0 247.113 2.524 50 0 BFAARM Cc1csc(CNc2cccc(C(=O)[O-])c2)n1 ZINC000082711733 491153419 /nfs/dbraw/zinc/15/34/19/491153419.db2.gz DUPJONWULODFDR-UHFFFAOYSA-N -1 0 248.307 2.762 50 0 BFAARM O=Cc1ccc(-c2ccc(C(=O)[O-])o2)cc1F ZINC000725261040 566308075 /nfs/dbraw/zinc/30/80/75/566308075.db2.gz ILAXRIKXBMRBKE-UHFFFAOYSA-N -1 0 234.182 2.596 50 0 BFAARM CCCc1onc(-c2ccccc2)c1C(=O)[O-] ZINC000070426766 582594156 /nfs/dbraw/zinc/59/41/56/582594156.db2.gz MMHXBRFHUSOOPE-UHFFFAOYSA-N -1 0 231.251 2.992 50 0 BFAARM Cc1onc(-c2cc(C)ccc2F)c1C(=O)[O-] ZINC000235904882 582620088 /nfs/dbraw/zinc/62/00/88/582620088.db2.gz YJIXWEXTBUNHRJ-UHFFFAOYSA-N -1 0 235.214 2.796 50 0 BFAARM Cc1cc(/C=C\C(=O)[O-])c(C)n1Cc1ccco1 ZINC000096833654 637009113 /nfs/dbraw/zinc/00/91/13/637009113.db2.gz WXNXIYIXQNHJHO-WAYWQWQTSA-N -1 0 245.278 2.844 50 0 BFAARM Cc1onc(-c2cc(F)ccc2C)c1C(=O)[O-] ZINC000235820088 643504373 /nfs/dbraw/zinc/50/43/73/643504373.db2.gz SXOVQGLQEBHGCQ-UHFFFAOYSA-N -1 0 235.214 2.796 50 0 BFAARM Cc1oc(C(F)(F)F)c(C(=O)[O-])c1C ZINC000075892568 643699981 /nfs/dbraw/zinc/69/99/81/643699981.db2.gz DGGXCYSSPKHSIC-UHFFFAOYSA-N -1 0 208.135 2.613 50 0 BFAARM Cc1ccc(-c2ccc(/C=C\C(=O)[O-])o2)c(N)c1 ZINC000951723505 644281244 /nfs/dbraw/zinc/28/12/44/644281244.db2.gz YTOWAJBTQGSEFE-DAXSKMNVSA-N -1 0 243.262 2.935 50 0 BFAARM Cc1cc2cc(C(=O)[O-])[nH]c2cc1Cl ZINC000143375050 712345001 /nfs/dbraw/zinc/34/50/01/712345001.db2.gz NPUFXTJJQBCRPW-UHFFFAOYSA-N -1 0 209.632 2.828 50 0 BFAARM O=C([O-])c1cnccc1-c1cc(F)ccc1F ZINC000065355755 712387789 /nfs/dbraw/zinc/38/77/89/712387789.db2.gz UXJDCMRPQRYFJR-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM O=C([O-])c1nccnc1NCCCC1CCCC1 ZINC000224884091 959858174 /nfs/dbraw/zinc/85/81/74/959858174.db2.gz KTTLGUUHJKNAND-UHFFFAOYSA-N -1 0 249.314 2.557 50 0 BFAARM O=C([O-])c1cc(/C=C/Br)ccc1F ZINC000685964444 968092287 /nfs/dbraw/zinc/09/22/87/968092287.db2.gz HKBJDRBLLCUWDF-ONEGZZNKSA-N -1 0 245.047 2.890 50 0 BFAARM O=C([O-])Cc1ccccc1COc1ccccc1 ZINC000004240750 979362721 /nfs/dbraw/zinc/36/27/21/979362721.db2.gz FDOAKSDBUPAQTO-UHFFFAOYSA-N -1 0 242.274 2.893 50 0 BFAARM Cc1cc(CSc2ccccc2C(=O)[O-])no1 ZINC000004206688 178053480 /nfs/dbraw/zinc/05/34/80/178053480.db2.gz ABHVAMDKSLWIAS-UHFFFAOYSA-N -1 0 249.291 2.974 50 0 BFAARM Cc1cc(OC(F)(F)F)cc(C(=O)[O-])c1 ZINC000016158953 178207515 /nfs/dbraw/zinc/20/75/15/178207515.db2.gz OCLLNMRZSFBMBJ-UHFFFAOYSA-N -1 0 220.146 2.592 50 0 BFAARM Cc1cc(OC(F)(F)F)ccc1CCC(=O)[O-] ZINC000091252057 178208386 /nfs/dbraw/zinc/20/83/86/178208386.db2.gz LNOAXHKIMRSNOJ-UHFFFAOYSA-N -1 0 248.200 2.911 50 0 BFAARM Cc1cc2nc(CCCC(=O)[O-])[nH]c2cc1C ZINC000004384282 178301171 /nfs/dbraw/zinc/30/11/71/178301171.db2.gz MKSRFBCELBGRLS-UHFFFAOYSA-N -1 0 232.283 2.587 50 0 BFAARM Cc1ccc(-c2cccnc2C(=O)[O-])cc1 ZINC000041226833 178327456 /nfs/dbraw/zinc/32/74/56/178327456.db2.gz MEBSKTFICDSWRF-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1cc2occ(CC(=O)[O-])c2cc1C ZINC000002650732 178308001 /nfs/dbraw/zinc/30/80/01/178308001.db2.gz KRNWPUWNPFJHAM-UHFFFAOYSA-N -1 0 204.225 2.677 50 0 BFAARM Cc1ccc(-c2ccc(C(=O)[O-])o2)c(N)c1 ZINC000073640292 178322590 /nfs/dbraw/zinc/32/25/90/178322590.db2.gz SJFYRWAWGSGDDZ-UHFFFAOYSA-N -1 0 217.224 2.535 50 0 BFAARM Cc1n[n-]c(=S)n1-c1ccc(C)c(C)c1 ZINC000005926663 178346390 /nfs/dbraw/zinc/34/63/90/178346390.db2.gz CPHBGQISCIQHMZ-UHFFFAOYSA-N -1 0 219.313 2.855 50 0 BFAARM Cc1ccc(-c2csc(C(=O)[O-])n2)cc1 ZINC000012404824 178330429 /nfs/dbraw/zinc/33/04/29/178330429.db2.gz RLNRIJRPTDSEKD-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])c1ncoc1-c1cccc(Cl)c1 ZINC000000107964 342674610 /nfs/dbraw/zinc/67/46/10/342674610.db2.gz UHZDXZWJFQEEFP-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM O=C([O-])c1cncc(-c2cccs2)c1 ZINC000000158696 342677925 /nfs/dbraw/zinc/67/79/25/342677925.db2.gz DFWKRZGYBOVSKW-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 in-vitro BFAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000000215408 342680475 /nfs/dbraw/zinc/68/04/75/342680475.db2.gz DPBUJVBXRABXRH-BDAKNGLRSA-N -1 0 241.084 2.637 50 0 BFAARM CC(C)CC[P@@](=O)([O-])c1ccccc1 ZINC000000242958 342681115 /nfs/dbraw/zinc/68/11/15/342681115.db2.gz GMPNQRWOLIZKFX-UHFFFAOYSA-N -1 0 212.229 2.628 50 0 BFAARM O=S(=O)([N-]c1ccccc1)c1cccs1 ZINC000000249412 342681305 /nfs/dbraw/zinc/68/13/05/342681305.db2.gz FHAKHNFPYWASFY-UHFFFAOYSA-N -1 0 239.321 2.549 50 0 BFAARM Cc1occc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000269959 342681885 /nfs/dbraw/zinc/68/18/85/342681885.db2.gz ROJXTCDVXKNYKB-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM O=C([O-])c1ccccc1COc1ccccc1 ZINC000000395117 342686267 /nfs/dbraw/zinc/68/62/67/342686267.db2.gz YKNORODREYVARM-UHFFFAOYSA-N -1 0 228.247 2.964 50 0 BFAARM COc1c(C(=O)[O-])ccc2ccccc21 ZINC000000403483 342686726 /nfs/dbraw/zinc/68/67/26/342686726.db2.gz PMJACRPIWSINFF-UHFFFAOYSA-N -1 0 202.209 2.547 50 0 BFAARM O=C([O-])c1cc(-c2c[nH]c3ccccc32)on1 ZINC000000409012 342686983 /nfs/dbraw/zinc/68/69/83/342686983.db2.gz LTJHKDMGKKYAIF-UHFFFAOYSA-N -1 0 228.207 2.521 50 0 BFAARM Cc1nc(Cl)c(C(=O)[O-])c(C)c1Cl ZINC000000039049 342670698 /nfs/dbraw/zinc/67/06/98/342670698.db2.gz QJUGBRJQIHDUNF-UHFFFAOYSA-N -1 0 220.055 2.703 50 0 BFAARM O=C([O-])c1c(F)cccc1C(F)(F)F ZINC000000056713 342671864 /nfs/dbraw/zinc/67/18/64/342671864.db2.gz LNARMXLVVGHCRP-UHFFFAOYSA-N -1 0 208.110 2.543 50 0 BFAARM O=C([O-])c1cccc(Nc2ccc(O)cc2)c1 ZINC000082714784 398278525 /nfs/dbraw/zinc/27/85/25/398278525.db2.gz CYLZYKSKDWZMJG-UHFFFAOYSA-N -1 0 229.235 2.834 50 0 BFAARM O=C([O-])[C@@H]1Oc2ccccc2[C@H]1c1ccccc1 ZINC000001587598 342704434 /nfs/dbraw/zinc/70/44/34/342704434.db2.gz CSQHMXGTEXRJLR-ZIAGYGMSSA-N -1 0 240.258 2.664 50 0 BFAARM O=C([O-])c1sccc1C(=O)c1ccccc1 ZINC000001763566 342712228 /nfs/dbraw/zinc/71/22/28/342712228.db2.gz ZKHLBCVFVQJMBT-UHFFFAOYSA-N -1 0 232.260 2.677 50 0 BFAARM O=C([O-])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000002382332 342719606 /nfs/dbraw/zinc/71/96/06/342719606.db2.gz MKESWMDKZFRERU-UHFFFAOYSA-N -1 0 226.100 2.682 50 0 BFAARM Cn1c2ccccc2c2cc(CC(=O)[O-])ccc21 ZINC000002101188 342715970 /nfs/dbraw/zinc/71/59/70/342715970.db2.gz OQNHRFJNXKBVMY-UHFFFAOYSA-N -1 0 239.274 2.959 50 0 biogenic BFAARM Cc1csc(C(=O)[O-])c1-n1cccc1 ZINC000004108446 342742636 /nfs/dbraw/zinc/74/26/36/342742636.db2.gz DNMVATVOBPDINI-UHFFFAOYSA-N -1 0 207.254 2.545 50 0 BFAARM COCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000004206711 342744171 /nfs/dbraw/zinc/74/41/71/342744171.db2.gz CDOZCHNGLKPZLS-UHFFFAOYSA-N -1 0 240.255 2.885 50 0 BFAARM O=C([O-])c1ccc(OC(F)=C(F)F)cc1 ZINC000004290245 342746014 /nfs/dbraw/zinc/74/60/14/342746014.db2.gz RSARXEGXWPNARA-UHFFFAOYSA-N -1 0 218.130 2.799 50 0 BFAARM O=C([O-])[C@@H](C[C@H]1CCCS1)C(F)(F)F ZINC000004291201 342746262 /nfs/dbraw/zinc/74/62/62/342746262.db2.gz WZMDICHYPNRSDP-PHDIDXHHSA-N -1 0 228.235 2.535 50 0 BFAARM Cc1nc(Cc2ccccc2)sc1C(=O)[O-] ZINC000004384287 342747406 /nfs/dbraw/zinc/74/74/06/342747406.db2.gz SGWCGSNQYPEXBO-UHFFFAOYSA-N -1 0 233.292 2.741 50 0 BFAARM O=C([O-])c1ccnc2ccc(Cl)cc21 ZINC000004384319 342747506 /nfs/dbraw/zinc/74/75/06/342747506.db2.gz ZRYMLJGLNAOPNK-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1ccccc1-c1ccc(O)cc1 ZINC000002528942 342722862 /nfs/dbraw/zinc/72/28/62/342722862.db2.gz WJRHSYCQNCDYMN-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 endogenous,in-man BFAARM CCCC[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002530032 342722983 /nfs/dbraw/zinc/72/29/83/342722983.db2.gz KVAFMJHZXSBEFB-VIFPVBQESA-N -1 0 245.319 2.545 50 0 BFAARM CC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC000002572874 342725049 /nfs/dbraw/zinc/72/50/49/342725049.db2.gz HKRUXZJKSFFSGF-UHFFFAOYSA-N -1 0 204.147 2.614 50 0 BFAARM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)[O-] ZINC000003407206 342733160 /nfs/dbraw/zinc/73/31/60/342733160.db2.gz YZDILIKIHKVAHO-UHFFFAOYSA-N -1 0 245.282 2.588 50 0 BFAARM CCCC[C@H](CC)CNC(=O)CCCC(=O)[O-] ZINC000004784103 342752060 /nfs/dbraw/zinc/75/20/60/342752060.db2.gz XWMLZVVZTMWKSC-NSHDSACASA-N -1 0 243.347 2.574 50 0 BFAARM C[C@H](CC(=O)[O-])Nc1ccc(Cl)cc1 ZINC000005276007 342761223 /nfs/dbraw/zinc/76/12/23/342761223.db2.gz GBVLIUPVYMEKLI-SSDOTTSWSA-N -1 0 213.664 2.615 50 0 BFAARM O=C([O-])c1cccc2[nH]c(-c3cccs3)nc21 ZINC000006740849 342781916 /nfs/dbraw/zinc/78/19/16/342781916.db2.gz OQFMKFSAZCQYAK-UHFFFAOYSA-N -1 0 244.275 2.990 50 0 BFAARM CSc1ncc(C(=O)[O-])c(-c2ccccc2)n1 ZINC000006857806 342784770 /nfs/dbraw/zinc/78/47/70/342784770.db2.gz QBVCXBXAXVWKKZ-UHFFFAOYSA-N -1 0 246.291 2.564 50 0 BFAARM Cc1ccc(C(=O)[O-])c(Oc2ccccc2)n1 ZINC000034628068 178440951 /nfs/dbraw/zinc/44/09/51/178440951.db2.gz GSNZRPQYFQBNNX-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM Cc1cc(-c2ccc(C(=O)[O-])s2)c[nH]c1=O ZINC000008764101 342804632 /nfs/dbraw/zinc/80/46/32/342804632.db2.gz DIIWPABHGARQDY-UHFFFAOYSA-N -1 0 235.264 2.522 50 0 BFAARM CCCCCOc1cccc(C(=O)[O-])c1 ZINC000011798718 342843451 /nfs/dbraw/zinc/84/34/51/342843451.db2.gz VPZYUWQXSZTNSK-UHFFFAOYSA-N -1 0 208.257 2.954 50 0 BFAARM Cc1ccc(NC(=O)[C@@H]2CC=CCC2)c(O)c1 ZINC000013023071 342863036 /nfs/dbraw/zinc/86/30/36/342863036.db2.gz UHELKILJHVKBMF-LLVKDONJSA-N -1 0 231.295 2.995 50 0 BFAARM O=C([O-])c1ccc2c(c1)ncn2-c1ccccc1 ZINC000013782579 342871959 /nfs/dbraw/zinc/87/19/59/342871959.db2.gz QTVKJLNIUBHSTK-UHFFFAOYSA-N -1 0 238.246 2.724 50 0 BFAARM CCCC(=O)Nc1c(Cl)cccc1C(=O)[O-] ZINC000016624187 342913486 /nfs/dbraw/zinc/91/34/86/342913486.db2.gz PXDFKNCEFIIULP-UHFFFAOYSA-N -1 0 241.674 2.777 50 0 BFAARM CC(C)(C)CC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000019257168 342944629 /nfs/dbraw/zinc/94/46/29/342944629.db2.gz MTDFRKQOCOBRRK-UHFFFAOYSA-N -1 0 249.310 2.688 50 0 BFAARM O=C([O-])c1cnc(-c2cccs2)s1 ZINC000020439959 342985111 /nfs/dbraw/zinc/98/51/11/342985111.db2.gz CODFJGNBJOPGQV-UHFFFAOYSA-N -1 0 211.267 2.570 50 0 BFAARM Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000020475928 342986814 /nfs/dbraw/zinc/98/68/14/342986814.db2.gz DQQGVGXQQYLHTC-UHFFFAOYSA-N -1 0 229.235 2.759 50 0 BFAARM C[C@@H](Cc1nc2ccccc2s1)C(=O)[O-] ZINC000012383640 343051744 /nfs/dbraw/zinc/05/17/44/343051744.db2.gz AYJNWWIHAPBLLG-ZETCQYMHSA-N -1 0 221.281 2.560 50 0 BFAARM C[C@H](Cc1nc2ccccc2s1)C(=O)[O-] ZINC000012383641 343051869 /nfs/dbraw/zinc/05/18/69/343051869.db2.gz AYJNWWIHAPBLLG-SSDOTTSWSA-N -1 0 221.281 2.560 50 0 BFAARM Cc1ccc(Nc2cccc(C(=O)[O-])c2)nc1 ZINC000037453602 343074796 /nfs/dbraw/zinc/07/47/96/343074796.db2.gz SDJXUYBWAFPJMH-UHFFFAOYSA-N -1 0 228.251 2.832 50 0 BFAARM CCOc1ccc(C(=O)[O-])cc1-c1ccncc1 ZINC000032577674 343238144 /nfs/dbraw/zinc/23/81/44/343238144.db2.gz MWDNOUJMPRWPDR-UHFFFAOYSA-N -1 0 243.262 2.846 50 0 BFAARM CC(C)C(=O)C=C([O-])c1ccc(F)cc1 ZINC000034238148 343267111 /nfs/dbraw/zinc/26/71/11/343267111.db2.gz LAOUURGVXFCRDD-UHFFFAOYSA-N -1 0 208.232 2.624 50 0 BFAARM Nc1cc(C(=O)[O-])cc(-c2ccccc2)c1 ZINC000034330402 343268106 /nfs/dbraw/zinc/26/81/06/343268106.db2.gz PJLVKTCJJCTCCZ-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM CC(C)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000034546652 343274734 /nfs/dbraw/zinc/27/47/34/343274734.db2.gz LWUZJUHOIOFIQR-UHFFFAOYSA-N -1 0 232.239 2.558 50 0 BFAARM CC(C)n1cc(C(=O)[O-])c2ccccc21 ZINC000038762033 343378862 /nfs/dbraw/zinc/37/88/62/343378862.db2.gz KJYJJNGAPCAIHG-UHFFFAOYSA-N -1 0 203.241 2.920 50 0 biogenic BFAARM C[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000038417314 343374975 /nfs/dbraw/zinc/37/49/75/343374975.db2.gz RSLAPCSAZMQDSO-LURJTMIESA-N -1 0 218.174 2.894 50 0 BFAARM CCOc1c(F)cc(/C=C/C(=O)[O-])cc1Cl ZINC000038529996 343376214 /nfs/dbraw/zinc/37/62/14/343376214.db2.gz FKKGAVCSYHKMOK-ONEGZZNKSA-N -1 0 244.649 2.976 50 0 BFAARM O=C([O-])c1ccnc(NCC2CCCCC2)c1 ZINC000037250520 343341418 /nfs/dbraw/zinc/34/14/18/343341418.db2.gz QYPYRWIEOXAEHX-UHFFFAOYSA-N -1 0 234.299 2.772 50 0 BFAARM CCc1cc(C(=O)[O-])ccc1Br ZINC000039102863 343384315 /nfs/dbraw/zinc/38/43/15/343384315.db2.gz ACIPPYAWWAWDOL-UHFFFAOYSA-N -1 0 229.073 2.710 50 0 BFAARM O=C([O-])c1ccc(-c2ccccc2)cc1O ZINC000039194529 343386676 /nfs/dbraw/zinc/38/66/76/343386676.db2.gz IDXMMAOAJXZWSS-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM O=c1nc(-c2ccsc2)[n-]c2ccsc21 ZINC000048622938 343395630 /nfs/dbraw/zinc/39/56/30/343395630.db2.gz UIKCOPJSNNRYIY-UHFFFAOYSA-N -1 0 234.305 2.713 50 0 BFAARM O=C([O-])c1cc2sc(Cl)cc2[nH]1 ZINC000040974876 343412016 /nfs/dbraw/zinc/41/20/16/343412016.db2.gz OWJRYNILRVVVFK-UHFFFAOYSA-N -1 0 201.634 2.581 50 0 BFAARM O=C([O-])c1ccc(OCC2CC2)c(Cl)c1 ZINC000042393336 343436037 /nfs/dbraw/zinc/43/60/37/343436037.db2.gz BLMUANMNUNBEJS-UHFFFAOYSA-N -1 0 226.659 2.827 50 0 BFAARM O=C([O-])c1ccccc1Oc1ccncc1 ZINC000042415504 343437384 /nfs/dbraw/zinc/43/73/84/343437384.db2.gz NDVHHTOLGZMAOK-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000043626095 343479071 /nfs/dbraw/zinc/47/90/71/343479071.db2.gz JNLZQDCKJDMRPL-YFKPBYRVSA-N -1 0 234.082 2.878 50 0 BFAARM O=C([O-])c1ccncc1-c1ccc(F)cc1 ZINC000047204933 343558765 /nfs/dbraw/zinc/55/87/65/343558765.db2.gz SAVPAPRZYFBSII-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM CCCCC[C@H]1C(=O)CC[C@H]1CC(=O)[O-] ZINC000003978809 343760521 /nfs/dbraw/zinc/76/05/21/343760521.db2.gz PQEYTAGBXNEUQL-VHSXEESVSA-N -1 0 212.289 2.637 50 0 endogenous,in-man BFAARM CCCCOc1ccc(F)c(C(=O)[O-])c1F ZINC000098210722 344407688 /nfs/dbraw/zinc/40/76/88/344407688.db2.gz VAAYKFOYNPAJJL-UHFFFAOYSA-N -1 0 230.210 2.842 50 0 BFAARM CSc1ccccc1C1(C(=O)[O-])CCC1 ZINC000044124823 344535743 /nfs/dbraw/zinc/53/57/43/344535743.db2.gz GAOPRYSAZAKGGF-UHFFFAOYSA-N -1 0 222.309 2.915 50 0 BFAARM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)[O-])cc1 ZINC000070652265 178878723 /nfs/dbraw/zinc/87/87/23/178878723.db2.gz SMIUTUKGLHUEFW-NEPJUHHUSA-N -1 0 220.268 2.547 50 0 BFAARM O=[S@]([O-])/C=C/c1ccc(Cl)cc1 ZINC000114902198 537900259 /nfs/dbraw/zinc/90/02/59/537900259.db2.gz IWDCVEFIUKCWFS-AATRIKPKSA-N -1 0 202.662 2.532 50 0 BFAARM Cc1cccc(-c2cc(C(=O)[O-])sn2)c1 ZINC000067172749 178991761 /nfs/dbraw/zinc/99/17/61/178991761.db2.gz WNNIZAJYCPMOCB-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM Cc1cccc(C)c1C(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000002574472 179033941 /nfs/dbraw/zinc/03/39/41/179033941.db2.gz YJKRDFOFRNIAIY-RYUDHWBXSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1ccccc1-c1cccnc1C(=O)[O-] ZINC000041226818 179237006 /nfs/dbraw/zinc/23/70/06/179237006.db2.gz LVVPVMDWQNWONK-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1ccccc1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000043878947 179253723 /nfs/dbraw/zinc/25/37/23/179253723.db2.gz SEMXCWRNKUCYJO-WDEREUQCSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1ccccc1Nc1ncccc1C(=O)[O-] ZINC000001329558 179307871 /nfs/dbraw/zinc/30/78/71/179307871.db2.gz ZAYXWXOVWFNPTQ-UHFFFAOYSA-N -1 0 228.251 2.832 50 0 BFAARM Cc1ccsc1[C@@]1(C(=O)[O-])CC1(C)C ZINC000019089367 179554071 /nfs/dbraw/zinc/55/40/71/179554071.db2.gz MBENFHWSVWYQDX-LLVKDONJSA-N -1 0 210.298 2.809 50 0 BFAARM CCc1ccc2c(CC(=O)[O-])coc2c1 ZINC000003278201 187410521 /nfs/dbraw/zinc/41/05/21/187410521.db2.gz MOTXOTFUYMRIER-UHFFFAOYSA-N -1 0 204.225 2.622 50 0 BFAARM CCNc1ccc(Br)cc1C(=O)[O-] ZINC000008703068 187413544 /nfs/dbraw/zinc/41/35/44/187413544.db2.gz GECLABGJKKFNJZ-UHFFFAOYSA-N -1 0 244.088 2.579 50 0 BFAARM Cc1nc(=O)c2sc(-c3ccccc3)cc2[n-]1 ZINC000048603456 180074501 /nfs/dbraw/zinc/07/45/01/180074501.db2.gz MFQLJKGRFRWGCM-UHFFFAOYSA-N -1 0 242.303 2.960 50 0 BFAARM Cc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC000082299265 187446650 /nfs/dbraw/zinc/44/66/50/187446650.db2.gz JFAQBRSYTNDGBL-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM O=C(c1cc(F)cc(Cl)c1[O-])C1CC1 ZINC000052068535 350901829 /nfs/dbraw/zinc/90/18/29/350901829.db2.gz DRMMXFSEJOQSSE-UHFFFAOYSA-N -1 0 214.623 2.777 50 0 BFAARM CCCc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000000132844 188098431 /nfs/dbraw/zinc/09/84/31/188098431.db2.gz ARAPWKABKMIXFP-UHFFFAOYSA-N -1 0 220.268 2.687 50 0 BFAARM O=C([O-])c1nc(-c2ccc(F)cc2)cs1 ZINC000012404579 188105293 /nfs/dbraw/zinc/10/52/93/188105293.db2.gz ADTZSCPHZARMBS-UHFFFAOYSA-N -1 0 223.228 2.647 50 0 BFAARM CC(C)[C@H](O)c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000022060704 188109161 /nfs/dbraw/zinc/10/91/61/188109161.db2.gz RMOQYHYFRKTDRI-CABZTGNLSA-N -1 0 222.284 2.564 50 0 world BFAARM COc1ccc([C@@H](CC(=O)[O-])C(C)C)cc1 ZINC000004043927 188156903 /nfs/dbraw/zinc/15/69/03/188156903.db2.gz IJYNCBAHVKZWIQ-LBPRGKRZSA-N -1 0 222.284 2.910 50 0 biogenic BFAARM CCCn1c(=O)c2sccc2[n-]c1=S ZINC000021949003 356545243 /nfs/dbraw/zinc/54/52/43/356545243.db2.gz WUEZOMXQGGBHHI-UHFFFAOYSA-N -1 0 226.326 2.531 50 0 BFAARM Cc1ccc(-c2noc(C(F)F)c2C(=O)[O-])o1 ZINC000675057767 538479731 /nfs/dbraw/zinc/47/97/31/538479731.db2.gz OBGOVXYBEPQDDL-UHFFFAOYSA-N -1 0 243.165 2.879 50 0 BFAARM C[C@@H]1C[C@@H]([C@H](F)C(=O)[O-])CC(C)(C)C1 ZINC000088157438 538572103 /nfs/dbraw/zinc/57/21/03/538572103.db2.gz JEGHILZSWHCDQW-HLTSFMKQSA-N -1 0 202.269 2.872 50 0 BFAARM Cc1onc(-c2c(C)cccc2C)c1C(=O)[O-] ZINC000135408158 538616042 /nfs/dbraw/zinc/61/60/42/538616042.db2.gz AFQGTIIAWSQQDR-UHFFFAOYSA-N -1 0 231.251 2.965 50 0 BFAARM CSc1nc(=O)c2sc3ccccc3c2[n-]1 ZINC000006411819 358013249 /nfs/dbraw/zinc/01/32/49/358013249.db2.gz SAEVHGCXEUKUKK-UHFFFAOYSA-N -1 0 248.332 2.860 50 0 BFAARM Cc1nc2c(Cl)cccc2cc1C(=O)[O-] ZINC000037638553 359986756 /nfs/dbraw/zinc/98/67/56/359986756.db2.gz AHJBNECFHMRNSR-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM CCOc1ccc([S@@](=O)[O-])c2ccccc12 ZINC000125986648 541468551 /nfs/dbraw/zinc/46/85/51/541468551.db2.gz VEAFRYLWMQNPNT-UHFFFAOYSA-N -1 0 236.292 2.819 50 0 BFAARM [O-]c1ccc(Cl)c(Br)c1F ZINC000200652174 368397544 /nfs/dbraw/zinc/39/75/44/368397544.db2.gz JQMAPPWTCOOFQB-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM Nc1cccc(C(=O)[O-])c1Nc1ccccc1 ZINC000006733695 181742099 /nfs/dbraw/zinc/74/20/99/181742099.db2.gz BIBXBQMYVSAURA-UHFFFAOYSA-N -1 0 228.251 2.711 50 0 BFAARM Cc1ccc(C(=O)CCCC(=O)[O-])cc1F ZINC000002378691 205457105 /nfs/dbraw/zinc/45/71/05/205457105.db2.gz HUDQRZXOWPVVDO-UHFFFAOYSA-N -1 0 224.231 2.572 50 0 BFAARM O=C([O-])/C=C/c1ccc(OC2CCCC2)nc1 ZINC000012359611 182411565 /nfs/dbraw/zinc/41/15/65/182411565.db2.gz DCNDSOLFJFPRJP-SOFGYWHQSA-N -1 0 233.267 2.501 50 0 BFAARM O=C([O-])/C=C/c1cc(F)ccc1Br ZINC000002512347 182411832 /nfs/dbraw/zinc/41/18/32/182411832.db2.gz AWWFJLNOEZAVHZ-DAFODLJHSA-N -1 0 245.047 2.686 50 0 BFAARM O=C([O-])C1(Cc2ccccc2Cl)CC1 ZINC000049814833 182422807 /nfs/dbraw/zinc/42/28/07/182422807.db2.gz QPACAUSGIAGIAZ-UHFFFAOYSA-N -1 0 210.660 2.747 50 0 BFAARM O=C([O-])CSc1cccc(C(F)(F)F)c1 ZINC000000131941 182473913 /nfs/dbraw/zinc/47/39/13/182473913.db2.gz YBUZSRSMQIEFBR-UHFFFAOYSA-N -1 0 236.214 2.882 50 0 BFAARM O=C([O-])Cc1c(Cl)cccc1C(F)(F)F ZINC000012359254 182487434 /nfs/dbraw/zinc/48/74/34/182487434.db2.gz QVSWFQSUELDCNS-UHFFFAOYSA-N -1 0 238.592 2.986 50 0 BFAARM O=C([O-])Cc1cccc(Br)c1Cl ZINC000060032040 182491851 /nfs/dbraw/zinc/49/18/51/182491851.db2.gz IEIASDIYIMXQEK-UHFFFAOYSA-N -1 0 249.491 2.730 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000032012991 182521878 /nfs/dbraw/zinc/52/18/78/182521878.db2.gz NVHNBFOVILMVRL-PHDIDXHHSA-N -1 0 214.623 2.667 50 0 BFAARM O=C([O-])[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@H]21)C3(Cl)Cl ZINC000242547719 182523564 /nfs/dbraw/zinc/52/35/64/182523564.db2.gz KTMXBVDXHDBMDV-HXLXBVJFSA-N -1 0 249.137 2.927 50 0 BFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)c1cccs1 ZINC000001081364 182533904 /nfs/dbraw/zinc/53/39/04/182533904.db2.gz 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BFAARM O=C([O-])c1cc2sc(F)cc2s1 ZINC000000480668 182561434 /nfs/dbraw/zinc/56/14/34/182561434.db2.gz VYOGDXIJQXAMQD-UHFFFAOYSA-N -1 0 202.231 2.800 50 0 BFAARM O=C([O-])c1ccccc1Oc1cccnc1 ZINC000036904275 182582341 /nfs/dbraw/zinc/58/23/41/182582341.db2.gz CVDCJGITZQGDJF-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM O=C([O-])c1cccnc1Nc1ccccc1 ZINC000001394979 182583435 /nfs/dbraw/zinc/58/34/35/182583435.db2.gz UUMMTMQODCACRH-UHFFFAOYSA-N -1 0 214.224 2.523 50 0 BFAARM O=C([O-])c1cccc2c1COc1ccccc1-2 ZINC000085389203 182579713 /nfs/dbraw/zinc/57/97/13/182579713.db2.gz MZNUADMUFDYKJL-UHFFFAOYSA-N -1 0 226.231 2.944 50 0 BFAARM O=C([O-])c1csc(-c2ncccc2Cl)n1 ZINC000083368797 182593927 /nfs/dbraw/zinc/59/39/27/182593927.db2.gz PFQCDHYYSGJDBQ-UHFFFAOYSA-N -1 0 240.671 2.557 50 0 BFAARM O=C([O-])c1sc(C2CC2)nc1C(F)(F)F ZINC000075898284 182598199 /nfs/dbraw/zinc/59/81/99/182598199.db2.gz SKFZITCWKMFWBL-UHFFFAOYSA-N -1 0 237.202 2.738 50 0 BFAARM O=c1cc(C(F)(F)F)[n-]c2ccccc12 ZINC000008648498 183256629 /nfs/dbraw/zinc/25/66/29/183256629.db2.gz SUNAMHNJYSQUPL-UHFFFAOYSA-N -1 0 213.158 2.959 50 0 BFAARM O=c1cc(Cl)[n-]nc1-c1ccccc1 ZINC000015020166 183258433 /nfs/dbraw/zinc/25/84/33/183258433.db2.gz ZUSHSDOEVHPTCU-UHFFFAOYSA-N -1 0 206.632 2.503 50 0 BFAARM [O-]c1cc(Cl)cc(Br)c1F ZINC000216701834 183258554 /nfs/dbraw/zinc/25/85/54/183258554.db2.gz NPKWKIGBWZJFJS-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM [O-]c1cc(F)cc(Cl)c1Br ZINC000263623993 183259834 /nfs/dbraw/zinc/25/98/34/183259834.db2.gz MLRPPBYKVCYWRY-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM S=c1[n-]n(-c2ccccc2)c(=S)s1 ZINC000012402975 183315649 /nfs/dbraw/zinc/31/56/49/183315649.db2.gz JRFUIXXCQSIOEB-UHFFFAOYSA-N -1 0 226.351 2.952 50 0 BFAARM CCCOc1ccc(CC(=O)[O-])cc1Cl ZINC000003871464 169317930 /nfs/dbraw/zinc/31/79/30/169317930.db2.gz QEJHPAGTOOIBFT-UHFFFAOYSA-N -1 0 228.675 2.756 50 0 in-vivo BFAARM O=C([O-])CCC(=O)c1csc2ccccc12 ZINC000034973433 383821589 /nfs/dbraw/zinc/82/15/89/383821589.db2.gz FDRBYNKJXWUFJO-UHFFFAOYSA-N -1 0 234.276 2.949 50 0 BFAARM O=C([O-])Cc1ccc(Cl)cc1Cl ZINC000000156490 383836164 /nfs/dbraw/zinc/83/61/64/383836164.db2.gz GXMWLJKTGBZMBH-UHFFFAOYSA-N -1 0 205.040 2.621 50 0 BFAARM O=C([O-])/C=C/c1ccc(Br)cc1 ZINC000000164560 383839654 /nfs/dbraw/zinc/83/96/54/383839654.db2.gz CPDDDTNAMBSPRN-ZZXKWVIFSA-N -1 0 227.057 2.547 50 0 biogenic,in-vitro BFAARM O=C([O-])c1cc2ccc(Cl)cc2cn1 ZINC000066054646 383844058 /nfs/dbraw/zinc/84/40/58/383844058.db2.gz HIXONRGTPXMCCP-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 in-vitro BFAARM O=C([O-])/C=C/c1cccc(Br)c1 ZINC000000266197 383848830 /nfs/dbraw/zinc/84/88/30/383848830.db2.gz YEMUSDCFQUBPAL-SNAWJCMRSA-N -1 0 227.057 2.547 50 0 biogenic BFAARM CC[C@H](C)c1ccccc1OCC(=O)[O-] ZINC000000359098 383859313 /nfs/dbraw/zinc/85/93/13/383859313.db2.gz JHXIYIRARDDHJU-VIFPVBQESA-N -1 0 208.257 2.664 50 0 BFAARM O=C([O-])COc1ccc(-c2ccccc2)cc1 ZINC000000116651 383829453 /nfs/dbraw/zinc/82/94/53/383829453.db2.gz UEXMWDXKHUIBSJ-UHFFFAOYSA-N -1 0 228.247 2.817 50 0 BFAARM O=C([O-])CCC(=O)c1c(F)cccc1Cl ZINC000036179796 383886894 /nfs/dbraw/zinc/88/68/94/383886894.db2.gz CGFTZYVAQXKGBY-UHFFFAOYSA-N -1 0 230.622 2.527 50 0 BFAARM O=C([O-])COc1ccc(Oc2ccccc2)cc1 ZINC000003252551 384002025 /nfs/dbraw/zinc/00/20/25/384002025.db2.gz NUTWPVOGVQFHTI-UHFFFAOYSA-N -1 0 244.246 2.942 50 0 BFAARM CC(=O)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000002654621 383981939 /nfs/dbraw/zinc/98/19/39/383981939.db2.gz LDTWCUABWGGMNW-UHFFFAOYSA-N -1 0 230.219 2.847 50 0 BFAARM Cc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000002382289 383958561 /nfs/dbraw/zinc/95/85/61/383958561.db2.gz STJUSBSLJXOSDU-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM O=C([O-])CSc1ccc(C(F)(F)F)cc1 ZINC000002504787 383966763 /nfs/dbraw/zinc/96/67/63/383966763.db2.gz MBVVWIKWEHKYGF-UHFFFAOYSA-N -1 0 236.214 2.882 50 0 BFAARM O=C([O-])Cc1ccccc1SC(F)(F)F ZINC000002560238 383976320 /nfs/dbraw/zinc/97/63/20/383976320.db2.gz FVVZHMXCYDAXJG-UHFFFAOYSA-N -1 0 236.214 2.926 50 0 BFAARM O=C([O-])/C=C/c1ccc(F)cc1Br ZINC000002567811 383976697 /nfs/dbraw/zinc/97/66/97/383976697.db2.gz KCEJGSKYYLDTNE-DUXPYHPUSA-N -1 0 245.047 2.686 50 0 BFAARM O=C([O-])c1cc(F)ccc1-c1ccoc1 ZINC000068978168 384024461 /nfs/dbraw/zinc/02/44/61/384024461.db2.gz HBGKWFINXLTIAP-UHFFFAOYSA-N -1 0 206.172 2.784 50 0 BFAARM CCN(CC)c1ccc2cc(C(=O)[O-])[nH]c2c1 ZINC000003888938 384033930 /nfs/dbraw/zinc/03/39/30/384033930.db2.gz ONUSUWYCWYPYJG-UHFFFAOYSA-N -1 0 232.283 2.712 50 0 BFAARM Cc1cc(C(=O)[O-])ccc1NCc1cccnc1 ZINC000004935119 384091715 /nfs/dbraw/zinc/09/17/15/384091715.db2.gz KGPWPUWDOGLDKM-UHFFFAOYSA-N -1 0 242.278 2.700 50 0 BFAARM Cc1cc(CC(=O)[O-])cc(C(F)(F)F)c1F ZINC000091252093 384111573 /nfs/dbraw/zinc/11/15/73/384111573.db2.gz OEPYHPGEWLYDHQ-UHFFFAOYSA-N -1 0 236.164 2.780 50 0 BFAARM O=C([O-])CCOc1ccc(Cl)cc1Cl ZINC000006091956 384145654 /nfs/dbraw/zinc/14/56/54/384145654.db2.gz XHUAIKXCACQSGV-UHFFFAOYSA-N -1 0 235.066 2.847 50 0 BFAARM O=C([O-])C1(Cc2ccccc2)CCCC1 ZINC000041212660 384182911 /nfs/dbraw/zinc/18/29/11/384182911.db2.gz PJWROSNRJZXGHJ-UHFFFAOYSA-N -1 0 204.269 2.874 50 0 BFAARM Cc1cc(C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC000008700394 384209737 /nfs/dbraw/zinc/20/97/37/384209737.db2.gz GXRKKZGRDQQESI-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM CCc1ccc(Cc2n[n-]c(=S)o2)cc1 ZINC000008732345 384215906 /nfs/dbraw/zinc/21/59/06/384215906.db2.gz SLTJHRAHKXQIRT-UHFFFAOYSA-N -1 0 220.297 2.512 50 0 BFAARM O=C([O-])CCCC(=O)c1ccc(F)cc1Cl ZINC000043214155 384265341 /nfs/dbraw/zinc/26/53/41/384265341.db2.gz ONSJPTTZAVCTRT-UHFFFAOYSA-N -1 0 244.649 2.917 50 0 BFAARM Cc1cc(C)c([N-]c2nnns2)c(C)c1 ZINC000000515497 384321703 /nfs/dbraw/zinc/32/17/03/384321703.db2.gz OUTXHMNRAACFTM-UHFFFAOYSA-N -1 0 220.301 2.602 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000043878953 384302999 /nfs/dbraw/zinc/30/29/99/384302999.db2.gz GBQHZBPGJTZDLC-NWDGAFQWSA-N -1 0 232.279 2.679 50 0 BFAARM Cc1cc(C)c(Br)c(C(=O)[O-])c1 ZINC000095829341 384400986 /nfs/dbraw/zinc/40/09/86/384400986.db2.gz VPNWKPSTJOTTHA-UHFFFAOYSA-N -1 0 229.073 2.764 50 0 BFAARM Cc1ccc(C(=O)[O-])c(C)c1Br ZINC000096300505 384448637 /nfs/dbraw/zinc/44/86/37/384448637.db2.gz SNANINYFIFMJBX-UHFFFAOYSA-N -1 0 229.073 2.764 50 0 BFAARM Cc1cc(CC(=O)[O-])c(F)c(C(F)(F)F)c1 ZINC000098210810 384604172 /nfs/dbraw/zinc/60/41/72/384604172.db2.gz DAPNLWNKOLBHRE-UHFFFAOYSA-N -1 0 236.164 2.780 50 0 BFAARM Cc1cc(C(=O)[O-])c(F)c(C(F)(F)F)c1 ZINC000098210815 384604437 /nfs/dbraw/zinc/60/44/37/384604437.db2.gz GJIOQLSHHHOUPD-UHFFFAOYSA-N -1 0 222.137 2.851 50 0 BFAARM Cc1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000100862402 384656195 /nfs/dbraw/zinc/65/61/95/384656195.db2.gz IJXZPNBQRFQWPE-UHFFFAOYSA-N -1 0 242.200 2.650 50 0 BFAARM CC(C)[C@@H](O)c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000022060695 384727242 /nfs/dbraw/zinc/72/72/42/384727242.db2.gz RMOQYHYFRKTDRI-BXKDBHETSA-N -1 0 222.284 2.564 50 0 world BFAARM O=C([O-])c1sc(Br)cc1Cl ZINC000083351208 384761854 /nfs/dbraw/zinc/76/18/54/384761854.db2.gz DUUPWFRCVBAIKZ-UHFFFAOYSA-N -1 0 241.493 2.862 50 0 BFAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C1CC=CC1 ZINC000085159594 384768233 /nfs/dbraw/zinc/76/82/33/384768233.db2.gz BSSOKZDIYOGUQC-UHFFFAOYSA-N -1 0 245.278 2.598 50 0 BFAARM CC(=O)C=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000026513525 384877378 /nfs/dbraw/zinc/87/73/78/384877378.db2.gz DLIOGFQTFUVFFB-UHFFFAOYSA-N -1 0 230.185 2.867 50 0 BFAARM O=C([O-])CNc1ccccc1-c1ccccc1 ZINC000057332614 384938759 /nfs/dbraw/zinc/93/87/59/384938759.db2.gz GVWWGDAUARXASN-UHFFFAOYSA-N -1 0 227.263 2.850 50 0 BFAARM COc1c(Cl)c(Cl)sc1C(=O)[O-] ZINC000096511020 384947979 /nfs/dbraw/zinc/94/79/79/384947979.db2.gz GSUFOPYPKUVCQB-UHFFFAOYSA-N -1 0 227.068 2.762 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(F)cc2F)cn1 ZINC000061863368 385142332 /nfs/dbraw/zinc/14/23/32/385142332.db2.gz NIRPNVHMWSAYAO-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM S=c1nc(-c2ccccc2Cl)[n-]o1 ZINC000061881161 385142490 /nfs/dbraw/zinc/14/24/90/385142490.db2.gz SSLTYECQEMXNAI-UHFFFAOYSA-N -1 0 212.661 2.679 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000062494841 385185151 /nfs/dbraw/zinc/18/51/51/385185151.db2.gz UKRIUIRBTVRYAH-IUCAKERBSA-N -1 0 230.185 2.894 50 0 BFAARM CC(=O)C=C([O-])c1cccc(C(F)(F)F)c1 ZINC000020362681 385213031 /nfs/dbraw/zinc/21/30/31/385213031.db2.gz TWXWMOJBLYOVJM-UHFFFAOYSA-N -1 0 230.185 2.867 50 0 BFAARM O=C([O-])C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000034293462 385276340 /nfs/dbraw/zinc/27/63/40/385276340.db2.gz BUJBAYNWPMAINK-BQBZGAKWSA-N -1 0 210.195 2.830 50 0 BFAARM O=C([O-])c1cccc2ncc(C(F)(F)F)cc21 ZINC000253496197 385681640 /nfs/dbraw/zinc/68/16/40/385681640.db2.gz UPZIZMMXEZXXIO-UHFFFAOYSA-N -1 0 241.168 2.952 50 0 BFAARM COc1cc(C(=O)[O-])cc(-c2ccsc2)n1 ZINC000223378453 386085598 /nfs/dbraw/zinc/08/55/98/386085598.db2.gz LFMZXPMLSIIRGU-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM CCOc1ccc(C(=O)[O-])cc1OC(C)C ZINC000226233939 386240964 /nfs/dbraw/zinc/24/09/64/386240964.db2.gz BBACQINFBBZPGO-UHFFFAOYSA-N -1 0 224.256 2.571 50 0 BFAARM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)[O-])o1 ZINC000238853084 386534828 /nfs/dbraw/zinc/53/48/28/386534828.db2.gz IHYYDFPEYUTJFS-RYPBNFRJSA-N -1 0 206.241 2.591 50 0 BFAARM O=C([O-])c1ccc(-c2cc3ccccc3[nH]2)[nH]1 ZINC000074002845 386811641 /nfs/dbraw/zinc/81/16/41/386811641.db2.gz YLNUBLFQPNQWMS-UHFFFAOYSA-N -1 0 226.235 2.861 50 0 BFAARM Cc1ccc(F)c2occ(CC(=O)[O-])c21 ZINC000087968473 387154547 /nfs/dbraw/zinc/15/45/47/387154547.db2.gz ZXFAIGAMFHELTF-UHFFFAOYSA-N -1 0 208.188 2.507 50 0 BFAARM O=C([O-])c1n[nH]c2cc(-c3cccs3)ccc21 ZINC000002547930 387245559 /nfs/dbraw/zinc/24/55/59/387245559.db2.gz DIDOERKUAPXZKL-UHFFFAOYSA-N -1 0 244.275 2.990 50 0 BFAARM Cc1cc(C(=O)[O-])c(Br)cc1F ZINC000039953642 388013702 /nfs/dbraw/zinc/01/37/02/388013702.db2.gz UVSGTNJGIMPLAM-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM CC(=O)c1sc2[n-]c(=S)[nH]c(=O)c2c1C ZINC000008804326 388408381 /nfs/dbraw/zinc/40/83/81/388408381.db2.gz SIQXVSSQQCZZLE-UHFFFAOYSA-N -1 0 240.309 2.571 50 0 BFAARM CN(c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000054909801 388595360 /nfs/dbraw/zinc/59/53/60/388595360.db2.gz BEDMTDMWPMWXGN-UHFFFAOYSA-N -1 0 234.280 2.609 50 0 BFAARM Cc1cc(/C=C/C(=O)[O-])ccc1OC(C)C ZINC000082598157 177698425 /nfs/dbraw/zinc/69/84/25/177698425.db2.gz JHKRLJBINSMVGJ-FNORWQNLSA-N -1 0 220.268 2.880 50 0 BFAARM CC[C@H]1CCCCN1c1cc(C(=O)[O-])ccn1 ZINC000037022846 132343405 /nfs/dbraw/zinc/34/34/05/132343405.db2.gz VVQDHZVYZKKYIF-NSHDSACASA-N -1 0 234.299 2.549 50 0 BFAARM O=C([O-])c1ncc(-c2ccccc2)s1 ZINC000045206019 398039182 /nfs/dbraw/zinc/03/91/82/398039182.db2.gz TZRNZBGFPPOHOB-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM CC(C)Oc1ccc(/C=C/C(=O)[O-])cc1 ZINC000000152372 167290747 /nfs/dbraw/zinc/29/07/47/167290747.db2.gz COFJCCOVYSOPKE-VMPITWQZSA-N -1 0 206.241 2.572 50 0 biogenic BFAARM CC(C)c1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000003349688 167567820 /nfs/dbraw/zinc/56/78/20/167567820.db2.gz DMECABOZAOLLJG-UHFFFAOYSA-N -1 0 247.298 2.834 50 0 BFAARM CC(C)c1cc(Cl)c(O)c(C(=O)[O-])c1 ZINC000057339073 167571839 /nfs/dbraw/zinc/57/18/39/167571839.db2.gz MSYHQSDIZIAXOM-UHFFFAOYSA-N -1 0 214.648 2.867 50 0 BFAARM CCOC(=O)C(CC)=C([O-])c1cccc(C)c1 ZINC000043502533 170250265 /nfs/dbraw/zinc/25/02/65/170250265.db2.gz QJIDTMZMSSKLCP-LBPRGKRZSA-N -1 0 234.295 2.767 50 0 BFAARM CC[C@@H](Oc1ccccc1Cl)C(=O)[O-] ZINC000002581486 170946532 /nfs/dbraw/zinc/94/65/32/170946532.db2.gz COHQCOPPYROAKU-MRVPVSSYSA-N -1 0 214.648 2.582 50 0 BFAARM CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000000091125 170950832 /nfs/dbraw/zinc/95/08/32/170950832.db2.gz PUNPYITWFHQFFX-SECBINFHSA-N -1 0 236.296 2.518 50 0 BFAARM CC[C@]1(CC(=O)[O-])Cc2ccccc2C(=O)C1 ZINC000170091811 171211716 /nfs/dbraw/zinc/21/17/16/171211716.db2.gz LLANIAVLHAHRGR-AWEZNQCLSA-N -1 0 232.279 2.687 50 0 BFAARM CCc1ccc(C(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000043879180 171788628 /nfs/dbraw/zinc/78/86/28/171788628.db2.gz HGHVZZVSKMIYNN-CHWSQXEVSA-N -1 0 246.306 2.933 50 0 BFAARM CCc1nc2ccccc2n1[C@H](CC)C(=O)[O-] ZINC000019091273 172014291 /nfs/dbraw/zinc/01/42/91/172014291.db2.gz AXRZRQSWDLSUKC-SNVBAGLBSA-N -1 0 232.283 2.634 50 0 BFAARM CCn1c2ccccc2c(C)c1C(=O)[O-] ZINC000107840857 172133161 /nfs/dbraw/zinc/13/31/61/172133161.db2.gz XBVRYGDMHIZAPW-UHFFFAOYSA-N -1 0 203.241 2.668 50 0 BFAARM CN(C(=O)CCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000004671505 172302531 /nfs/dbraw/zinc/30/25/31/172302531.db2.gz GXBIOUDLSQCCCP-UHFFFAOYSA-N -1 0 249.310 2.540 50 0 BFAARM COc1cc(C(=O)[O-])cc(OC)c1C(C)C ZINC000095347853 174949393 /nfs/dbraw/zinc/94/93/93/174949393.db2.gz XMENJIQNZZREBQ-UHFFFAOYSA-N -1 0 224.256 2.525 50 0 BFAARM COc1ccc(-c2ccc(C(=O)[O-])c(N)c2)cc1 ZINC000036294193 175032325 /nfs/dbraw/zinc/03/23/25/175032325.db2.gz ZSXWYUBHMYUJRM-UHFFFAOYSA-N -1 0 243.262 2.643 50 0 BFAARM COc1ccc(C(C)(C)C)cc1CC(=O)[O-] ZINC000003750739 175066800 /nfs/dbraw/zinc/06/68/00/175066800.db2.gz DFEVDBGKOHNKHI-UHFFFAOYSA-N -1 0 222.284 2.620 50 0 BFAARM COc1ccc(CCC(=O)[O-])cc1C(F)(F)F ZINC000071867271 175088665 /nfs/dbraw/zinc/08/86/65/175088665.db2.gz BZGRRQPEHHXJNW-UHFFFAOYSA-N -1 0 248.200 2.731 50 0 BFAARM COc1ccc(Oc2ncccc2C(=O)[O-])cc1 ZINC000008729651 175173970 /nfs/dbraw/zinc/17/39/70/175173970.db2.gz WOMZUMVELCAJLH-UHFFFAOYSA-N -1 0 245.234 2.581 50 0 BFAARM COc1ccc([C@H](CC(=O)[O-])C2CC2)cc1 ZINC000011628827 175190623 /nfs/dbraw/zinc/19/06/23/175190623.db2.gz UYGYHNKELYLFSA-GFCCVEGCSA-N -1 0 220.268 2.664 50 0 BFAARM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[O-] ZINC000020259977 175207403 /nfs/dbraw/zinc/20/74/03/175207403.db2.gz XSGCUQLKTRSCDY-SNVBAGLBSA-N -1 0 220.268 2.590 50 0 BFAARM COc1ccc2ccc(C(=O)[O-])cc2c1 ZINC000013548078 175225918 /nfs/dbraw/zinc/22/59/18/175225918.db2.gz JJAGLIPYTVMFTL-UHFFFAOYSA-N -1 0 202.209 2.547 50 0 BFAARM COc1ccccc1-c1ncc(C(=O)[O-])s1 ZINC000020439993 175311564 /nfs/dbraw/zinc/31/15/64/175311564.db2.gz ONZZRBTXLNMHPM-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM COc1ccccc1NCc1ccc(C(=O)[O-])o1 ZINC000008702207 175338153 /nfs/dbraw/zinc/33/81/53/175338153.db2.gz XTVXHKONEDADPT-UHFFFAOYSA-N -1 0 247.250 2.599 50 0 BFAARM C[C@@H](Cc1cc(C(=O)[O-])on1)c1ccccc1 ZINC000299773578 175770092 /nfs/dbraw/zinc/77/00/92/175770092.db2.gz DKIKHGJOWCMMRT-VIFPVBQESA-N -1 0 231.251 2.719 50 0 BFAARM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000011888795 176003885 /nfs/dbraw/zinc/00/38/85/176003885.db2.gz ZLRMHHUHESVKKI-RXMQYKEDSA-N -1 0 235.066 2.845 50 0 BFAARM C[C@@H](Oc1cccc2ccccc21)C(=O)[O-] ZINC000000073860 176005556 /nfs/dbraw/zinc/00/55/56/176005556.db2.gz KTAVXDDWEGVLRN-SECBINFHSA-N -1 0 216.236 2.692 50 0 BFAARM C[C@@H](Sc1ccccc1Cl)C(=O)[O-] ZINC000011863847 176009821 /nfs/dbraw/zinc/00/98/21/176009821.db2.gz IEIAJSOBRQNLOX-ZCFIWIBFSA-N -1 0 216.689 2.905 50 0 BFAARM C[C@@H]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000000914878 176239322 /nfs/dbraw/zinc/23/93/22/176239322.db2.gz WKBUQRILUMGUTL-MRVPVSSYSA-N -1 0 229.279 2.991 50 0 BFAARM C[C@H](Cc1ccccc1)n1cccc1C(=O)[O-] ZINC000062190620 176724448 /nfs/dbraw/zinc/72/44/48/176724448.db2.gz KKMIUDPARJGYMX-LLVKDONJSA-N -1 0 229.279 2.990 50 0 BFAARM C[C@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000000967842 177023181 /nfs/dbraw/zinc/02/31/81/177023181.db2.gz HMIVVAPMRQMNAK-VIFPVBQESA-N -1 0 216.236 2.692 50 0 in-vitro BFAARM C[C@H](SC(=S)c1ccccc1)C(=O)[O-] ZINC000040848125 177026154 /nfs/dbraw/zinc/02/61/54/177026154.db2.gz HPSQKMAZWIIJBT-ZETCQYMHSA-N -1 0 226.322 2.568 50 0 BFAARM C[C@@H]1CC[C@H](C)N1c1cccc(C(=O)[O-])c1 ZINC000014001310 177187414 /nfs/dbraw/zinc/18/74/14/177187414.db2.gz XRUBTHYGOWUUDN-AOOOYVTPSA-N -1 0 219.284 2.762 50 0 BFAARM Cc1c2cccc(Cl)c2[nH]c1C(=O)[O-] ZINC000004384483 177571445 /nfs/dbraw/zinc/57/14/45/177571445.db2.gz UJVTZVNZWSRCNL-UHFFFAOYSA-N -1 0 209.632 2.828 50 0 BFAARM Cc1c([O-])c(C(F)(F)F)nn1-c1ccccc1 ZINC000000336483 177621275 /nfs/dbraw/zinc/62/12/75/177621275.db2.gz YOHTWWBAMZHHLC-UHFFFAOYSA-N -1 0 242.200 2.905 50 0 BFAARM O=C([O-])c1ccccc1-c1cc(C2CC2)ncn1 ZINC000534638503 323157135 /nfs/dbraw/zinc/15/71/35/323157135.db2.gz QVFPVZKWZUXUPG-UHFFFAOYSA-N -1 0 240.262 2.719 50 0 BFAARM CC(C)(C)C(=O)C=C([O-])c1cccs1 ZINC000020375951 582459131 /nfs/dbraw/zinc/45/91/31/582459131.db2.gz XHQMFRSLKJZXJO-UHFFFAOYSA-N -1 0 210.298 2.936 50 0 BFAARM O=C([O-])c1ccc(SC(F)(F)F)o1 ZINC000068983888 526382826 /nfs/dbraw/zinc/38/28/26/526382826.db2.gz UOVMUFPUISRTAW-UHFFFAOYSA-N -1 0 212.148 2.590 50 0 BFAARM O=Cc1c(F)cccc1-c1ccc(C(=O)[O-])o1 ZINC000725260951 566307889 /nfs/dbraw/zinc/30/78/89/566307889.db2.gz AUAJIJDDQJPUCK-UHFFFAOYSA-N -1 0 234.182 2.596 50 0 BFAARM CCC(=O)C=C([O-])c1ccccc1Cl ZINC000020375908 582459460 /nfs/dbraw/zinc/45/94/60/582459460.db2.gz RQGPZWPWZPHBNL-UHFFFAOYSA-N -1 0 210.660 2.892 50 0 BFAARM Cc1ccc(C([O-])=CC(=O)C(C)(C)C)o1 ZINC000020375690 582459477 /nfs/dbraw/zinc/45/94/77/582459477.db2.gz AHJCVJZBDKJNFN-UHFFFAOYSA-N -1 0 208.257 2.776 50 0 BFAARM Cc1onc(-c2ccc(F)c(C)c2)c1C(=O)[O-] ZINC000070426655 582594214 /nfs/dbraw/zinc/59/42/14/582594214.db2.gz HXUHCGICGFXQTL-UHFFFAOYSA-N -1 0 235.214 2.796 50 0 BFAARM O=C1CCCCCC1=C([O-])c1ccco1 ZINC000043651207 582805657 /nfs/dbraw/zinc/80/56/57/582805657.db2.gz GYOPMQGIYDWGCI-VIFPVBQESA-N -1 0 206.241 2.612 50 0 BFAARM CCc1oc(C2CCOCC2)c(C)c1C(=O)[O-] ZINC000958527784 644805864 /nfs/dbraw/zinc/80/58/64/644805864.db2.gz DNJRCPYPDUFTFG-UHFFFAOYSA-N -1 0 238.283 2.743 50 0 BFAARM O=C([O-])CCCSC1CCCCC1 ZINC000037684588 948841137 /nfs/dbraw/zinc/84/11/37/948841137.db2.gz PHUXXOFKXDJXCH-UHFFFAOYSA-N -1 0 202.319 2.917 50 0 BFAARM Cc1cccc(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1C ZINC000002245602 978465520 /nfs/dbraw/zinc/46/55/20/978465520.db2.gz RDGCSSDHDHTWDY-NEPJUHHUSA-N -1 0 246.306 2.987 50 0 BFAARM Cc1cc(Cl)c(Cl)c(CC(=O)[O-])c1 ZINC000263625376 178060927 /nfs/dbraw/zinc/06/09/27/178060927.db2.gz ZIFDVKGPYVUIKV-UHFFFAOYSA-N -1 0 219.067 2.929 50 0 BFAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[O-] ZINC000000256143 178070276 /nfs/dbraw/zinc/07/02/76/178070276.db2.gz WNTGYJSOUMFZEP-ZETCQYMHSA-N -1 0 214.648 2.500 50 0 in-vitro BFAARM Cc1cc(F)c(Br)cc1C(=O)[O-] ZINC000098214270 178074697 /nfs/dbraw/zinc/07/46/97/178074697.db2.gz OFPHIASYPPAEEH-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM Cc1cc2c([n-]c(=S)n(C3CC3)c2=O)s1 ZINC000016972235 178277278 /nfs/dbraw/zinc/27/72/78/178277278.db2.gz QFZLFDCBFXQZGG-UHFFFAOYSA-N -1 0 238.337 2.764 50 0 BFAARM Cc1cc2nc(CCCCC(=O)[O-])[nH]c2cc1C ZINC000040162965 178302476 /nfs/dbraw/zinc/30/24/76/178302476.db2.gz DPCQMRLZFWDYPA-UHFFFAOYSA-N -1 0 246.310 2.977 50 0 BFAARM Cc1ccc(-c2cccc(C(=O)[O-])n2)cc1 ZINC000035630168 178327017 /nfs/dbraw/zinc/32/70/17/178327017.db2.gz WEXUERZPCHAIKU-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C(=O)[O-] ZINC000032101687 178348744 /nfs/dbraw/zinc/34/87/44/178348744.db2.gz MEBWTFWJIFVGIW-UHFFFAOYSA-N -1 0 244.294 2.804 50 0 BFAARM Cc1ccc(-c2cncc(C(=O)[O-])c2)cc1 ZINC000016947032 178329485 /nfs/dbraw/zinc/32/94/85/178329485.db2.gz VMJRUHLJFKPQHV-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM O=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000000141891 342676662 /nfs/dbraw/zinc/67/66/62/342676662.db2.gz OWQQDAGRTDUORV-UHFFFAOYSA-N -1 0 215.252 2.745 50 0 biogenic,in-vitro BFAARM O=C([O-])c1cc(-c2ccccc2Cl)no1 ZINC000000167405 342678911 /nfs/dbraw/zinc/67/89/11/342678911.db2.gz VKVLLEXFHZRIFS-UHFFFAOYSA-N -1 0 223.615 2.693 50 0 BFAARM Cc1occc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000269598 342681795 /nfs/dbraw/zinc/68/17/95/342681795.db2.gz VMBBGDKDZZCNFS-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)c1ccccc1 ZINC000000323271 342683327 /nfs/dbraw/zinc/68/33/27/342683327.db2.gz JJALHZDTTJJYCI-VXGBXAGGSA-N -1 0 230.263 2.536 50 0 BFAARM CC(C)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000000380536 342685440 /nfs/dbraw/zinc/68/54/40/342685440.db2.gz DMPWMPQUUGGLKC-UHFFFAOYSA-N -1 0 230.267 2.694 50 0 BFAARM C[C@@](O)(C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000000392273 342686175 /nfs/dbraw/zinc/68/61/75/342686175.db2.gz BRGSEHHSPCVJLH-HNNXBMFYSA-N -1 0 242.274 2.646 50 0 BFAARM O=C([O-])c1ccc(COc2ccccc2)o1 ZINC000000043875 342671358 /nfs/dbraw/zinc/67/13/58/342671358.db2.gz KPSLIMYRDNBEGK-UHFFFAOYSA-N -1 0 218.208 2.557 50 0 BFAARM O=C([O-])c1cc(F)ccc1C(F)(F)F ZINC000000057043 342671835 /nfs/dbraw/zinc/67/18/35/342671835.db2.gz BRFNBGWEOKQIND-UHFFFAOYSA-N -1 0 208.110 2.543 50 0 BFAARM O=C([O-])c1ccc(Cl)c(-n2cccc2)c1 ZINC000000563780 342690446 /nfs/dbraw/zinc/69/04/46/342690446.db2.gz RKHQUTCHCRFSRB-UHFFFAOYSA-N -1 0 221.643 2.829 50 0 BFAARM O=S(=O)([O-])c1cccc2cccc(Cl)c21 ZINC000001706911 342710159 /nfs/dbraw/zinc/71/01/59/342710159.db2.gz OPFNCYFEIBUZHU-UHFFFAOYSA-N -1 0 242.683 2.740 50 0 BFAARM CC[C@H](Sc1ncnc2ccccc21)C(=O)[O-] ZINC000001797237 342712728 /nfs/dbraw/zinc/71/27/28/342712728.db2.gz SXHQGWDCCOYODE-JTQLQIEISA-N -1 0 248.307 2.585 50 0 BFAARM Cc1sc(-n2cccc2)c(C(=O)[O-])c1C ZINC000004065685 342741667 /nfs/dbraw/zinc/74/16/67/342741667.db2.gz DFPDCVOFPAYSKG-UHFFFAOYSA-N -1 0 221.281 2.854 50 0 BFAARM CCOc1cc2c(cc1/C=C/C(=O)[O-])O[C@H](C)C2 ZINC000004200349 342743710 /nfs/dbraw/zinc/74/37/10/342743710.db2.gz IEVIGEWGDQZBOB-XNPJLODASA-N -1 0 248.278 2.507 50 0 BFAARM O=C([O-])c1ccc(Oc2cccc(O)c2)cc1 ZINC000002527902 342722658 /nfs/dbraw/zinc/72/26/58/342722658.db2.gz DEDKCEDXZJIDKZ-UHFFFAOYSA-N -1 0 230.219 2.883 50 0 BFAARM Cc1cc(C)cc(OC(C)(C)C(=O)[O-])c1 ZINC000002557832 342724130 /nfs/dbraw/zinc/72/41/30/342724130.db2.gz SXWGTMNDGSAUON-UHFFFAOYSA-N -1 0 208.257 2.545 50 0 BFAARM O=C([O-])c1cc(F)c(F)c(C(F)(F)F)c1 ZINC000002560153 342724231 /nfs/dbraw/zinc/72/42/31/342724231.db2.gz CKUNRJPLPRCMCL-UHFFFAOYSA-N -1 0 226.100 2.682 50 0 BFAARM O=C([O-])c1ccc(C(F)(F)F)c(F)c1F ZINC000002560152 342724359 /nfs/dbraw/zinc/72/43/59/342724359.db2.gz URRNELYPUJPPFT-UHFFFAOYSA-N -1 0 226.100 2.682 50 0 BFAARM CC(=O)NCCCCCCC[C@@H](C)CC(=O)[O-] ZINC000002839275 342727366 /nfs/dbraw/zinc/72/73/66/342727366.db2.gz AVTGMVQLGJWMPV-LLVKDONJSA-N -1 0 243.347 2.574 50 0 BFAARM Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000003607648 342735084 /nfs/dbraw/zinc/73/50/84/342735084.db2.gz WXENPEKCGWEERP-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM CC(C)c1cccc2cc(C(=O)[O-])[nH]c21 ZINC000003748654 342737422 /nfs/dbraw/zinc/73/74/22/342737422.db2.gz FDRHWXHKWSSVBJ-UHFFFAOYSA-N -1 0 203.241 2.990 50 0 BFAARM CC[C@H]1CCc2sc(C(=O)[O-])cc2C1 ZINC000003887671 342739176 /nfs/dbraw/zinc/73/91/76/342739176.db2.gz NBTMCDUVHSBKQZ-ZETCQYMHSA-N -1 0 210.298 2.961 50 0 BFAARM CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)[O-] ZINC000003978811 342740215 /nfs/dbraw/zinc/74/02/15/342740215.db2.gz PQEYTAGBXNEUQL-NXEZZACHSA-N -1 0 212.289 2.637 50 0 endogenous,in-man BFAARM Cc1c(NCc2ccncc2)cccc1C(=O)[O-] ZINC000004935100 342754823 /nfs/dbraw/zinc/75/48/23/342754823.db2.gz IMBXLKVFVVLGAH-UHFFFAOYSA-N -1 0 242.278 2.700 50 0 BFAARM CC1(C)CO[P@](=O)([O-])O[C@H]1c1ccccc1 ZINC000004976708 342755245 /nfs/dbraw/zinc/75/52/45/342755245.db2.gz PSZSDCWNBXVDFG-JTQLQIEISA-N -1 0 242.211 2.901 50 0 BFAARM Cc1ccc(O)c(C(=O)CCCCC(=O)[O-])c1 ZINC000005542030 342765531 /nfs/dbraw/zinc/76/55/31/342765531.db2.gz QUOOKWSRHNXGGK-UHFFFAOYSA-N -1 0 236.267 2.528 50 0 BFAARM S=c1[n-]nc(SC2CCCC2)s1 ZINC000005624754 342767506 /nfs/dbraw/zinc/76/75/06/342767506.db2.gz ZYMSWMCWKMPJQW-UHFFFAOYSA-N -1 0 218.372 2.862 50 0 BFAARM O=C([O-])c1cccc(C(=O)Cc2ccccc2)c1 ZINC000006474866 342778337 /nfs/dbraw/zinc/77/83/37/342778337.db2.gz AQVBEISJPKPDAH-UHFFFAOYSA-N -1 0 240.258 2.810 50 0 BFAARM CCc1c(C)sc2[n-]c(=S)n(C)c(=O)c12 ZINC000005695522 342768444 /nfs/dbraw/zinc/76/84/44/342768444.db2.gz PSWVENDUIKCYAY-UHFFFAOYSA-N -1 0 240.353 2.528 50 0 BFAARM Cc1ccc(C(=O)c2ccccc2C(=O)[O-])s1 ZINC000005942792 342771738 /nfs/dbraw/zinc/77/17/38/342771738.db2.gz IDTRGLSKMOUSHE-UHFFFAOYSA-N -1 0 246.287 2.986 50 0 BFAARM CC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000006048936 342772932 /nfs/dbraw/zinc/77/29/32/342772932.db2.gz HDTBFPIWBVTQGT-VIFPVBQESA-N -1 0 248.200 2.947 50 0 BFAARM O=C([O-])c1ccc(OC(F)F)c(Cl)c1 ZINC000042393261 342774695 /nfs/dbraw/zinc/77/46/95/342774695.db2.gz SLPNPJPSQCADEB-UHFFFAOYSA-N -1 0 222.574 2.640 50 0 BFAARM Cc1ccc2ccc3cc(C(=O)[O-])[nH]c3c2n1 ZINC000006721955 342781391 /nfs/dbraw/zinc/78/13/91/342781391.db2.gz CGKYGXOKRJUZDB-UHFFFAOYSA-N -1 0 226.235 2.723 50 0 BFAARM CC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000006728911 342781614 /nfs/dbraw/zinc/78/16/14/342781614.db2.gz LVYBDTKRVRCPBF-MRVPVSSYSA-N -1 0 235.283 2.678 50 0 BFAARM Cc1ccc(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])c(C)c1 ZINC000002245625 178445719 /nfs/dbraw/zinc/44/57/19/178445719.db2.gz CRUKTNRPTRXQRA-QWHCGFSZSA-N -1 0 246.306 2.987 50 0 BFAARM CC(C)(C)c1ccc([C@@H](O)CCC(=O)[O-])cc1 ZINC000009280475 342811764 /nfs/dbraw/zinc/81/17/64/342811764.db2.gz HRDCKZDIDSYJEJ-LBPRGKRZSA-N -1 0 236.311 2.882 50 0 BFAARM O=Cc1cc(-c2ccccc2C(=O)[O-])cs1 ZINC000065339742 539027981 /nfs/dbraw/zinc/02/79/81/539027981.db2.gz RTPGHNLMSZRVRT-UHFFFAOYSA-N -1 0 232.260 2.926 50 0 BFAARM Cc1ccc(C(C)C)c(OCC(=O)[O-])c1 ZINC000000038390 178451896 /nfs/dbraw/zinc/45/18/96/178451896.db2.gz MURZAHIYMVFXCF-UHFFFAOYSA-N -1 0 208.257 2.582 50 0 BFAARM O=C([O-])[C@H](Oc1ccccc1)c1ccccc1 ZINC000011955619 342845008 /nfs/dbraw/zinc/84/50/08/342845008.db2.gz ABUKMOCUMIPDHV-CYBMUJFWSA-N -1 0 228.247 2.891 50 0 BFAARM O=C([O-])c1ccc(-c2nccs2)cc1 ZINC000012370248 342850401 /nfs/dbraw/zinc/85/04/01/342850401.db2.gz NCAPRAZCSUNRLM-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM Cc1ccc(C)c(-c2cc(C(=O)[O-])no2)c1 ZINC000011801724 178460283 /nfs/dbraw/zinc/46/02/83/178460283.db2.gz ITPIYDSXRNGMAX-UHFFFAOYSA-N -1 0 217.224 2.657 50 0 BFAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000018158601 342932773 /nfs/dbraw/zinc/93/27/73/342932773.db2.gz MZKALFCNIJHTJG-UHFFFAOYSA-N -1 0 236.274 2.828 50 0 BFAARM O=C([O-])c1ccc(O)c(-c2ccccc2)c1 ZINC000021950888 343029348 /nfs/dbraw/zinc/02/93/48/343029348.db2.gz LPADJMFUBXMZNL-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC000039149815 343118986 /nfs/dbraw/zinc/11/89/86/343118986.db2.gz NNUSVTIAASPYFL-LOWDOPEQSA-N -1 0 216.280 2.901 50 0 BFAARM O=C([O-])c1cnc2c(Cl)cccc2c1 ZINC000032099209 343229529 /nfs/dbraw/zinc/22/95/29/343229529.db2.gz MKRMBCSRPJLONM-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1cc2cc(Br)sc2[nH]1 ZINC000032625251 343239074 /nfs/dbraw/zinc/23/90/74/343239074.db2.gz XAFRVVYPVBHBMA-UHFFFAOYSA-N -1 0 246.085 2.690 50 0 BFAARM O=C([O-])c1ccc(C2CCC(=O)CC2)cc1 ZINC000034727223 343277899 /nfs/dbraw/zinc/27/78/99/343277899.db2.gz CXQFXVZUJFYVHS-UHFFFAOYSA-N -1 0 218.252 2.612 50 0 BFAARM CC(C)(C)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000034924974 343280324 /nfs/dbraw/zinc/28/03/24/343280324.db2.gz MBIYSPGKWLJPCI-UHFFFAOYSA-N -1 0 246.266 2.732 50 0 BFAARM O=C([O-])c1cc(Cl)ccc1OC(F)F ZINC000036894996 343326664 /nfs/dbraw/zinc/32/66/64/343326664.db2.gz AYTCUQGQENXYEG-UHFFFAOYSA-N -1 0 222.574 2.640 50 0 BFAARM O=C([O-])c1ccc2nccc(Cl)c2c1 ZINC000035270026 343291241 /nfs/dbraw/zinc/29/12/41/343291241.db2.gz YZQVIZQQKLUHBL-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])[C@@H](Cc1ccccc1)Nc1ccccc1 ZINC000037953797 343362443 /nfs/dbraw/zinc/36/24/43/343362443.db2.gz ONLXDDXNWDCHRV-CQSZACIVSA-N -1 0 241.290 2.794 50 0 BFAARM COc1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000038339308 343374164 /nfs/dbraw/zinc/37/41/64/343374164.db2.gz PUENGTBOCOAFKL-UHFFFAOYSA-N -1 0 208.257 2.691 50 0 BFAARM O=C([O-])[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037380876 343344322 /nfs/dbraw/zinc/34/43/22/343344322.db2.gz IBXCFDILOTYDLI-BDAKNGLRSA-N -1 0 230.185 2.894 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1ccccc1Br ZINC000037380945 343344346 /nfs/dbraw/zinc/34/43/46/343344346.db2.gz SJXGNJABBYVEHY-YUMQZZPRSA-N -1 0 241.084 2.637 50 0 BFAARM O=C([O-])c1cccc(-c2cc(F)ccc2F)n1 ZINC000039927823 343393277 /nfs/dbraw/zinc/39/32/77/343393277.db2.gz WRVCKFUPPIVQQM-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM O=C([O-])[C@@H]1CC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000043878976 343486531 /nfs/dbraw/zinc/48/65/31/343486531.db2.gz HMFMKSSMIQQTAZ-VHSXEESVSA-N -1 0 236.242 2.509 50 0 BFAARM Cc1ccc(Cl)c(OC(C)(C)C(=O)[O-])c1 ZINC000006008967 178658196 /nfs/dbraw/zinc/65/81/96/178658196.db2.gz DDAAEZNXAGEDNQ-UHFFFAOYSA-N -1 0 228.675 2.890 50 0 BFAARM O=C([O-])c1ccc(C#Cc2ccccc2F)o1 ZINC000095642792 344354860 /nfs/dbraw/zinc/35/48/60/344354860.db2.gz BLSKFORKGBDVLD-UHFFFAOYSA-N -1 0 230.194 2.517 50 0 BFAARM Cc1onc(-c2c(F)cccc2F)c1C(=O)[O-] ZINC000070535711 537868963 /nfs/dbraw/zinc/86/89/63/537868963.db2.gz QCUZVPJWNWJVAV-UHFFFAOYSA-N -1 0 239.177 2.626 50 0 BFAARM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccco1 ZINC000009458303 179025800 /nfs/dbraw/zinc/02/58/00/179025800.db2.gz WGRHWAUPPXKDGG-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM C/C(=C/C(=O)[O-])c1ccccc1OC(F)F ZINC000076006920 166231952 /nfs/dbraw/zinc/23/19/52/166231952.db2.gz NMUQGDKBFFHJPK-SREVYHEPSA-N -1 0 228.194 2.776 50 0 BFAARM Cc1cccc(C2(C(=O)[O-])CCCC2)c1 ZINC000000394577 179050667 /nfs/dbraw/zinc/05/06/67/179050667.db2.gz VHDMREIZSHJHMB-UHFFFAOYSA-N -1 0 204.269 2.891 50 0 BFAARM Cc1cccc(OCCCCC(=O)[O-])c1 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ZNRVEMZFEBYVIL-UHFFFAOYSA-N -1 0 204.269 2.583 50 0 BFAARM CCc1cccc(CC)c1-n1cnc(C(=O)[O-])c1 ZINC000012404850 384318283 /nfs/dbraw/zinc/31/82/83/384318283.db2.gz MFSBMCOEPVWHDG-UHFFFAOYSA-N -1 0 244.294 2.695 50 0 BFAARM CC(C)CCOc1ccccc1C(=O)[O-] ZINC000012403758 384320872 /nfs/dbraw/zinc/32/08/72/384320872.db2.gz NOKOOVDPFRWHJN-UHFFFAOYSA-N -1 0 208.257 2.810 50 0 BFAARM O=C([O-])C1(c2ccc(Br)cc2)CC1 ZINC000012505564 384321487 /nfs/dbraw/zinc/32/14/87/384321487.db2.gz BYJIXWOWTNEVFO-UHFFFAOYSA-N -1 0 241.084 2.565 50 0 BFAARM CC1(C)C=Cc2cc(C(=O)[O-])ccc2O1 ZINC000015119467 384423213 /nfs/dbraw/zinc/42/32/13/384423213.db2.gz AXICIBPYBONRSP-UHFFFAOYSA-N -1 0 204.225 2.569 50 0 endogenous,in-man BFAARM Cc1nc(-c2ccsc2)ccc1C(=O)[O-] ZINC000047844250 384468358 /nfs/dbraw/zinc/46/83/58/384468358.db2.gz FUCJUGOLMYVBFE-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[O-] ZINC000019803726 384541859 /nfs/dbraw/zinc/54/18/59/384541859.db2.gz ZXBVQYOLEDJCOA-SNVBAGLBSA-N -1 0 228.675 2.828 50 0 BFAARM Cc1nc(-c2cccc(O)c2)sc1C(=O)[O-] ZINC000049827135 384572352 /nfs/dbraw/zinc/57/23/52/384572352.db2.gz XTEXGJRKURXPSJ-UHFFFAOYSA-N -1 0 235.264 2.522 50 0 BFAARM Cc1c(F)ccc(C(=O)[O-])c1C(F)(F)F ZINC000098210814 384604541 /nfs/dbraw/zinc/60/45/41/384604541.db2.gz YGIVRKBTDKBHJH-UHFFFAOYSA-N -1 0 222.137 2.851 50 0 BFAARM Cc1c(C(=O)[O-])sc2nccc(C)c12 ZINC000020282718 384609883 /nfs/dbraw/zinc/60/98/83/384609883.db2.gz JRVUCYYNYUHHSI-UHFFFAOYSA-N -1 0 207.254 2.611 50 0 BFAARM CC(C(=O)C(F)(F)F)=C([O-])c1ccccc1 ZINC000100229028 384623273 /nfs/dbraw/zinc/62/32/73/384623273.db2.gz MOOYLYCPAWODGB-ZETCQYMHSA-N -1 0 230.185 2.637 50 0 BFAARM O=C([O-])C(F)(F)c1ccc(Cl)cc1 ZINC000020213082 384599714 /nfs/dbraw/zinc/59/97/14/384599714.db2.gz DZXMMDCITYLSRC-UHFFFAOYSA-N -1 0 206.575 2.516 50 0 BFAARM CC(C)[C@](C)(Cc1ccccc1)C(=O)[O-] ZINC000098090751 384829420 /nfs/dbraw/zinc/82/94/20/384829420.db2.gz HHYUSUWCEGGVAG-ZDUSSCGKSA-N -1 0 206.285 2.976 50 0 BFAARM O=C([O-])c1ccc(Oc2cccc(F)c2)cn1 ZINC000084037319 384833231 /nfs/dbraw/zinc/83/32/31/384833231.db2.gz GQJXCHFGPIEVCM-UHFFFAOYSA-N -1 0 233.198 2.711 50 0 BFAARM O=C([O-])/C=C\c1cccc(Br)c1 ZINC000012358783 384835184 /nfs/dbraw/zinc/83/51/84/384835184.db2.gz YEMUSDCFQUBPAL-PLNGDYQASA-N -1 0 227.057 2.547 50 0 BFAARM Cc1c(C(=O)[O-])n(C)c2cccc(Cl)c12 ZINC000170622789 384880858 /nfs/dbraw/zinc/88/08/58/384880858.db2.gz ZJOGPCJERXGUEM-UHFFFAOYSA-N -1 0 223.659 2.838 50 0 BFAARM O=C([O-])c1cccc2nc(Cl)sc21 ZINC000084311553 384860249 /nfs/dbraw/zinc/86/02/49/384860249.db2.gz MMDQFYIMUCGXIW-UHFFFAOYSA-N -1 0 213.645 2.648 50 0 BFAARM Cc1cc(C)c(C(=O)[O-])cc1Br ZINC000032224729 385137598 /nfs/dbraw/zinc/13/75/98/385137598.db2.gz GQDYGQDSEFKPQO-UHFFFAOYSA-N -1 0 229.073 2.764 50 0 BFAARM O=C([O-])C1(c2cccc3ccccc32)CC1 ZINC000039199633 385088690 /nfs/dbraw/zinc/08/86/90/385088690.db2.gz OUJODVKEBCXFEI-UHFFFAOYSA-N -1 0 212.248 2.956 50 0 BFAARM O=S(=O)([O-])c1ccc(C2CCCCC2)cc1 ZINC000034247361 385275897 /nfs/dbraw/zinc/27/58/97/385275897.db2.gz MCCOAFJOIWDGDR-UHFFFAOYSA-N -1 0 240.324 2.981 50 0 BFAARM COc1cc(-c2ccc(O)cc2)ccc1C(=O)[O-] ZINC000065349587 385300036 /nfs/dbraw/zinc/30/00/36/385300036.db2.gz IVLMALSELBEMCC-UHFFFAOYSA-N -1 0 244.246 2.766 50 0 BFAARM FC(F)(F)c1n[n-]c(=S)n1-c1ccccc1 ZINC000026506418 385545259 /nfs/dbraw/zinc/54/52/59/385545259.db2.gz ULNRDNFSIPBSOC-UHFFFAOYSA-N -1 0 245.229 2.575 50 0 BFAARM O=C([O-])c1ccc2c(c1)[nH]c1c(c2=O)CCCC1 ZINC000253533840 385681757 /nfs/dbraw/zinc/68/17/57/385681757.db2.gz VFEWKGFNLIRGJI-VIFPVBQESA-N -1 0 243.262 2.844 50 0 BFAARM O=C([O-])c1cc(Cl)cc2ncccc21 ZINC000253532890 385682365 /nfs/dbraw/zinc/68/23/65/385682365.db2.gz DXEWIFPLRWLABE-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM O=C([O-])c1ccc2c(c1)[nH]c1c(c2=O)CCCC1 ZINC000253533839 385682678 /nfs/dbraw/zinc/68/26/78/385682678.db2.gz VFEWKGFNLIRGJI-SECBINFHSA-N -1 0 243.262 2.844 50 0 BFAARM Cc1cc(C)c2nccc(O[C@H](C)C(=O)[O-])c2c1 ZINC000045928310 385948034 /nfs/dbraw/zinc/94/80/34/385948034.db2.gz GFAWBEOGVFTBGC-SNVBAGLBSA-N -1 0 245.278 2.704 50 0 BFAARM C/C=C(\C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000221725322 386017157 /nfs/dbraw/zinc/01/71/57/386017157.db2.gz PKAIIEPLCMILGL-YLXWRPMNSA-N -1 0 245.278 2.689 50 0 BFAARM CC[C@H](Oc1cccc2c1CCCC2)C(=O)[O-] ZINC000226096351 386234732 /nfs/dbraw/zinc/23/47/32/386234732.db2.gz XHEBUTDBGWOAQC-LBPRGKRZSA-N -1 0 234.295 2.807 50 0 BFAARM O=C([O-])c1ccc2nc(-c3ccccc3)cn2c1 ZINC000000113944 386332573 /nfs/dbraw/zinc/33/25/73/386332573.db2.gz FMKYTRJPDYJNNC-UHFFFAOYSA-N -1 0 238.246 2.700 50 0 BFAARM Cc1nn(C)c(C(=O)[O-])c1-c1ccc(F)c(C)c1 ZINC000534585435 386646119 /nfs/dbraw/zinc/64/61/19/386646119.db2.gz XSCJYLVFBCRFON-UHFFFAOYSA-N -1 0 248.257 2.541 50 0 BFAARM O=C([O-])C1(c2cc(F)cc(F)c2)CCCC1 ZINC000049351242 386831696 /nfs/dbraw/zinc/83/16/96/386831696.db2.gz LYNZEVPXFDEQTD-UHFFFAOYSA-N -1 0 226.222 2.861 50 0 BFAARM Cc1ccc(F)c2c(CC(=O)[O-])coc21 ZINC000075882448 387153568 /nfs/dbraw/zinc/15/35/68/387153568.db2.gz ZKWIWULURDVUMF-UHFFFAOYSA-N -1 0 208.188 2.507 50 0 BFAARM CSc1cc(C(=O)[O-])ccc1Br ZINC000215938086 387155920 /nfs/dbraw/zinc/15/59/20/387155920.db2.gz RHYDEIRJFPKZAE-UHFFFAOYSA-N -1 0 247.113 2.869 50 0 BFAARM CCc1ccc([C@@H](C)[C@@H](C(C)=O)C(=O)[O-])cc1 ZINC000043190891 387267783 /nfs/dbraw/zinc/26/77/83/387267783.db2.gz GJVNRNNEIQSOIK-RNCFNFMXSA-N -1 0 234.295 2.642 50 0 BFAARM CCc1cc(=O)n2[n-]cc(-c3ccccc3)c2n1 ZINC000102706506 387341693 /nfs/dbraw/zinc/34/16/93/387341693.db2.gz IFPHULLDLYVFDJ-UHFFFAOYSA-N -1 0 239.278 2.664 50 0 BFAARM O=C([O-])c1n[nH]c(C2CC2)c1Cc1ccccc1 ZINC000072220405 387438092 /nfs/dbraw/zinc/43/80/92/387438092.db2.gz PLNVCTBBEMVJNZ-UHFFFAOYSA-N -1 0 242.278 2.576 50 0 BFAARM O=C([O-])C(c1ccccc1)c1ccccc1 ZINC000000034687 387420629 /nfs/dbraw/zinc/42/06/29/387420629.db2.gz PYHXGXCGESYPCW-UHFFFAOYSA-N -1 0 212.248 2.903 50 0 in-vivo BFAARM Cc1cc(C(=O)[O-])c(Br)s1 ZINC000030678000 177821718 /nfs/dbraw/zinc/82/17/18/177821718.db2.gz DZMYKWBJZZTINV-UHFFFAOYSA-N -1 0 221.075 2.517 50 0 BFAARM [O-]C(=CC(F)(F)C(F)F)c1cccnc1 ZINC000002676563 388347461 /nfs/dbraw/zinc/34/74/61/388347461.db2.gz DGQHVRAUTBGJRC-UHFFFAOYSA-N -1 0 221.153 2.555 50 0 BFAARM Cc1ccc(C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1C ZINC000091676034 388642587 /nfs/dbraw/zinc/64/25/87/388642587.db2.gz UPTWQRAGCGYSIG-OLZOCXBDSA-N -1 0 246.306 2.987 50 0 BFAARM C[C@@H](Cc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000062711276 388655366 /nfs/dbraw/zinc/65/53/66/388655366.db2.gz LZERBUUDERWDLT-ZETCQYMHSA-N -1 0 248.200 2.848 50 0 BFAARM O=C([O-])[C@H](O)c1cccc(Oc2ccccc2)c1 ZINC000004269713 397922990 /nfs/dbraw/zinc/92/29/90/397922990.db2.gz FPUCYPXKIFVDSD-CYBMUJFWSA-N -1 0 244.246 2.597 50 0 BFAARM CC[C@H](Sc1nc2ccccc2o1)C(=O)[O-] ZINC000004727858 397926036 /nfs/dbraw/zinc/92/60/36/397926036.db2.gz TYFJBPZESNTBKK-VIFPVBQESA-N -1 0 237.280 2.783 50 0 BFAARM O=C([O-])CCOc1cccc(C(F)(F)F)c1 ZINC000022144935 397972730 /nfs/dbraw/zinc/97/27/30/397972730.db2.gz PWGAEHHONPRIHO-UHFFFAOYSA-N -1 0 234.173 2.559 50 0 BFAARM O=C([O-])c1cc(-c2ccccc2)ns1 ZINC000059546373 398075939 /nfs/dbraw/zinc/07/59/39/398075939.db2.gz IEGXCDUXWSIMOK-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM Cc1ccc(F)c([O-])c1Br ZINC000065337297 398083222 /nfs/dbraw/zinc/08/32/22/398083222.db2.gz WPEISQLNDDJAGD-UHFFFAOYSA-N -1 0 205.026 2.602 50 0 BFAARM CC(C)[C@@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000399618 167387227 /nfs/dbraw/zinc/38/72/27/167387227.db2.gz AJRMLQSJNSDUHW-SECBINFHSA-N -1 0 236.267 2.586 50 0 BFAARM CCC(=O)C=C([O-])c1ccc(Cl)s1 ZINC000101869723 168197973 /nfs/dbraw/zinc/19/79/73/168197973.db2.gz QIGBVCLJDCQEQI-UHFFFAOYSA-N -1 0 216.689 2.953 50 0 BFAARM CCC(=O)c1ccc([O-])c(Br)c1 ZINC000032918446 168256910 /nfs/dbraw/zinc/25/69/10/168256910.db2.gz LFFDDMWXMSAFSM-UHFFFAOYSA-N -1 0 229.073 2.747 50 0 BFAARM CCOC(=O)C=C([O-])c1ccc(Cl)c(F)c1 ZINC000095728848 170197285 /nfs/dbraw/zinc/19/72/85/170197285.db2.gz RWDICAQJHOYPIZ-UHFFFAOYSA-N -1 0 244.649 2.615 50 0 BFAARM CCOC(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000000058255 170292167 /nfs/dbraw/zinc/29/21/67/170292167.db2.gz WMKNGSJJEMFQOT-UHFFFAOYSA-N -1 0 235.066 2.876 50 0 BFAARM CCOc1ccc(/C=C/C(=O)[O-])cc1OCC ZINC000002578530 170535508 /nfs/dbraw/zinc/53/55/08/170535508.db2.gz GFKHDVAIQPNASW-SOFGYWHQSA-N -1 0 236.267 2.582 50 0 BFAARM CCOc1ccc2[nH]c(C)c(CC(=O)[O-])c2c1 ZINC000001848251 170565902 /nfs/dbraw/zinc/56/59/02/170565902.db2.gz UTQVPTYRFOINMB-UHFFFAOYSA-N -1 0 233.267 2.502 50 0 BFAARM CCOc1nc2ccccc2cc1/C=C/C(=O)[O-] ZINC000003335167 170603722 /nfs/dbraw/zinc/60/37/22/170603722.db2.gz NWIXTYOMOKXFNS-BQYQJAHWSA-N -1 0 243.262 2.731 50 0 BFAARM CC[C@@H](CCCOc1ccccc1)C(=O)[O-] ZINC000034181896 170816238 /nfs/dbraw/zinc/81/62/38/170816238.db2.gz FXVGIBBWOHNAND-NSHDSACASA-N -1 0 222.284 2.956 50 0 BFAARM CCc1nc2ccccc2c(C(=O)[O-])c1C ZINC000003885156 172013827 /nfs/dbraw/zinc/01/38/27/172013827.db2.gz DWQIFUQLSDIOAR-UHFFFAOYSA-N -1 0 215.252 2.804 50 0 BFAARM CCc1nc2ccccc2n1[C@@H](CC)C(=O)[O-] ZINC000019091270 172014574 /nfs/dbraw/zinc/01/45/74/172014574.db2.gz AXRZRQSWDLSUKC-JTQLQIEISA-N -1 0 232.283 2.634 50 0 BFAARM COc1cc(C(F)(F)F)ccc1/C=C/C(=O)[O-] ZINC000299805276 174952203 /nfs/dbraw/zinc/95/22/03/174952203.db2.gz GWCJMKSOPUUFDP-HWKANZROSA-N -1 0 246.184 2.812 50 0 BFAARM COc1cc([S-])c(Cl)cc1OC ZINC000036926253 175013112 /nfs/dbraw/zinc/01/31/12/175013112.db2.gz REIRDXYGRJGSNX-UHFFFAOYSA-N -1 0 204.678 2.646 50 0 BFAARM COc1cc2c(cccc2OC)cc1C(=O)[O-] ZINC000004271375 175019901 /nfs/dbraw/zinc/01/99/01/175019901.db2.gz VTPNSKNCVKIPIX-UHFFFAOYSA-N -1 0 232.235 2.555 50 0 BFAARM COc1ccc(/C(=C\C(=O)[O-])C2CC2)cc1OC ZINC000096319315 175045606 /nfs/dbraw/zinc/04/56/06/175045606.db2.gz QNTOXILJSLYTEG-FLIBITNWSA-N -1 0 248.278 2.582 50 0 BFAARM COc1ccc(CC(=O)[O-])cc1-c1ccccc1 ZINC000034929344 175087403 /nfs/dbraw/zinc/08/74/03/175087403.db2.gz JHXCUSZPZNECKH-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 in-vitro BFAARM COc1ccc([N-]C(=S)SC)cc1OC ZINC000000307432 175148727 /nfs/dbraw/zinc/14/87/27/175148727.db2.gz BJMUREXLSZHDJD-UHFFFAOYSA-N -1 0 243.353 2.764 50 0 BFAARM COc1ccccc1[C@@H](CC(=O)[O-])c1ccco1 ZINC000000182801 175346189 /nfs/dbraw/zinc/34/61/89/175346189.db2.gz ICKURTHQHUGHMK-LLVKDONJSA-N -1 0 246.262 2.895 50 0 BFAARM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000000056614 176003836 /nfs/dbraw/zinc/00/38/36/176003836.db2.gz MZHCENGPTKEIGP-RXMQYKEDSA-N -1 0 235.066 2.845 50 0 in-vitro BFAARM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000001690231 176003862 /nfs/dbraw/zinc/00/38/62/176003862.db2.gz DMJZZNRMJJGRNF-SECBINFHSA-N -1 0 222.284 2.836 50 0 BFAARM C[C@@H](Oc1ccc(F)cc1)c1n[n-]c(=S)o1 ZINC000004200347 176003866 /nfs/dbraw/zinc/00/38/66/176003866.db2.gz XLJXMEMTIHCCGG-ZCFIWIBFSA-N -1 0 240.259 2.637 50 0 BFAARM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC000021953086 176005159 /nfs/dbraw/zinc/00/51/59/176005159.db2.gz KANKFINQYMYIRL-SECBINFHSA-N -1 0 222.284 2.836 50 0 BFAARM C[C@@H](Sc1ccc2ccccc2n1)C(=O)[O-] ZINC000000553696 176009745 /nfs/dbraw/zinc/00/97/45/176009745.db2.gz JLYPYACZXPBHLU-MRVPVSSYSA-N -1 0 233.292 2.800 50 0 BFAARM C[C@@H](Sc1nc2ccccc2s1)C(=O)[O-] ZINC000000209943 176010554 /nfs/dbraw/zinc/01/05/54/176010554.db2.gz ZRMKAMAPVMHSFW-ZCFIWIBFSA-N -1 0 239.321 2.862 50 0 BFAARM C[C@H]1CCc2[nH]c3c(cccc3C(=O)[O-])c2C1 ZINC000011757477 177207922 /nfs/dbraw/zinc/20/79/22/177207922.db2.gz YDECTAHOPWOBON-QMMMGPOBSA-N -1 0 229.279 2.991 50 0 BFAARM Cc1c(C(=O)[O-])cccc1-c1ccccn1 ZINC000083255312 177570770 /nfs/dbraw/zinc/57/07/70/177570770.db2.gz JMXMNHHISPYCJY-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM O=S(=O)([O-])c1cccc2c3ccccc3oc21 ZINC000004787453 487643155 /nfs/dbraw/zinc/64/31/55/487643155.db2.gz XISHFZZASFHUMB-UHFFFAOYSA-N -1 0 248.259 2.833 50 0 BFAARM Cc1ccc(C(=O)[O-])c(F)c1Br ZINC000116822553 490151630 /nfs/dbraw/zinc/15/16/30/490151630.db2.gz GZWACXGVBBELRA-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM O=C([O-])c1cccn2cc(-c3ccccc3)nc12 ZINC000011919731 518201674 /nfs/dbraw/zinc/20/16/74/518201674.db2.gz KWBNZRKTIVPZIC-UHFFFAOYSA-N -1 0 238.246 2.700 50 0 BFAARM Cc1ccc(F)c(Br)c1C(=O)[O-] ZINC000211110772 524779401 /nfs/dbraw/zinc/77/94/01/524779401.db2.gz QWXYFCBTEVCONQ-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)[O-])o1 ZINC000238853085 525349010 /nfs/dbraw/zinc/34/90/10/525349010.db2.gz IHYYDFPEYUTJFS-XGEHTFHBSA-N -1 0 206.241 2.591 50 0 BFAARM CC(=O)C=C([O-])c1cccc(Br)c1 ZINC000101819170 582458459 /nfs/dbraw/zinc/45/84/59/582458459.db2.gz ZZPGUHYGTBCVTO-UHFFFAOYSA-N -1 0 241.084 2.611 50 0 BFAARM CCC(=O)C=C([O-])c1c(F)cccc1F ZINC000020375468 582459315 /nfs/dbraw/zinc/45/93/15/582459315.db2.gz XOVUWMFDSSIMRU-UHFFFAOYSA-N -1 0 212.195 2.517 50 0 BFAARM COc1ccc(C(=O)[O-])c2sccc21 ZINC000108273540 588453128 /nfs/dbraw/zinc/45/31/28/588453128.db2.gz UYJLHWXQJRNOHH-UHFFFAOYSA-N -1 0 208.238 2.608 50 0 BFAARM O=C([O-])c1cc(Cl)ccc1OCC1CC1 ZINC000036765393 601954910 /nfs/dbraw/zinc/95/49/10/601954910.db2.gz OLEWSXUWUFLCHP-UHFFFAOYSA-N -1 0 226.659 2.827 50 0 BFAARM Cc1ncc2[nH]c3ccccc3c2c1C(=O)[O-] ZINC000023549749 632940867 /nfs/dbraw/zinc/94/08/67/632940867.db2.gz QXZAWXVOHCNEMW-UHFFFAOYSA-N -1 0 226.235 2.723 50 0 BFAARM CC(=O)Cc1cccc2cccc(C(=O)[O-])c21 ZINC000000758130 642804735 /nfs/dbraw/zinc/80/47/35/642804735.db2.gz KPBRMGJARNBZLB-UHFFFAOYSA-N -1 0 228.247 2.670 50 0 BFAARM C[C@H](C(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000082592473 643351636 /nfs/dbraw/zinc/35/16/36/643351636.db2.gz WQCTVPRDXUKRPI-YFKPBYRVSA-N -1 0 202.612 2.667 50 0 BFAARM CC(C)(C(=O)[O-])c1ccc2ncccc2c1 ZINC000084193034 643649107 /nfs/dbraw/zinc/64/91/07/643649107.db2.gz ZPAJTGQVZLTFSG-UHFFFAOYSA-N -1 0 215.252 2.597 50 0 BFAARM O=C([O-])[C@H]1CC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000002574401 978600224 /nfs/dbraw/zinc/60/02/24/978600224.db2.gz HMFMKSSMIQQTAZ-ZJUUUORDSA-N -1 0 236.242 2.509 50 0 BFAARM Cc1cc(C)n2c3ccccc3nc2c1C(=O)[O-] ZINC000006645103 177933301 /nfs/dbraw/zinc/93/33/01/177933301.db2.gz NNLTUBVFUBEOLA-UHFFFAOYSA-N -1 0 240.262 2.803 50 0 BFAARM Cc1cc(C)nc(Oc2cccc(C(=O)[O-])c2)n1 ZINC000011849358 177946530 /nfs/dbraw/zinc/94/65/30/177946530.db2.gz ADWNZYOLLNWXOU-UHFFFAOYSA-N -1 0 244.250 2.584 50 0 BFAARM Cc1cc(Cl)cc2cc(C(=O)[O-])cnc12 ZINC000032099562 178064876 /nfs/dbraw/zinc/06/48/76/178064876.db2.gz AZUBVKRZQUUAAX-UHFFFAOYSA-N -1 0 221.643 2.895 50 0 BFAARM Cc1cc(Cl)ccc1OCCCC(=O)[O-] ZINC000001680053 178069110 /nfs/dbraw/zinc/06/91/10/178069110.db2.gz LLWADFLAOKUBDR-UHFFFAOYSA-N -1 0 228.675 2.892 50 0 in-vitro BFAARM Nc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000074937786 398209759 /nfs/dbraw/zinc/20/97/59/398209759.db2.gz HALRDBNKEGEYSJ-UHFFFAOYSA-N -1 0 231.226 2.773 50 0 BFAARM Cc1cc(NC(=O)c2ccoc2)ccc1C(=O)[O-] ZINC000044749801 178151267 /nfs/dbraw/zinc/15/12/67/178151267.db2.gz GRZUSGBOWNQZPQ-UHFFFAOYSA-N -1 0 245.234 2.539 50 0 BFAARM Cc1ccc(-c2nc(C(=O)[O-])cs2)cc1 ZINC000000168281 178332750 /nfs/dbraw/zinc/33/27/50/178332750.db2.gz MTVWIZYQYPRZGZ-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 in-vitro BFAARM Cc1oc(-c2ccc(C)cc2)nc1CC(=O)[O-] ZINC000049632719 178333974 /nfs/dbraw/zinc/33/39/74/178333974.db2.gz GSIKYHMVNPFJTR-UHFFFAOYSA-N -1 0 231.251 2.586 50 0 BFAARM Cc1n[n-]c(=S)n1-c1ccc(C)cc1 ZINC000008986165 178346111 /nfs/dbraw/zinc/34/61/11/178346111.db2.gz AMEOKRGVIFDWLE-UHFFFAOYSA-N -1 0 205.286 2.547 50 0 BFAARM Cc1ccc(-c2[nH]nc(C(=O)[O-])c2Cl)cc1 ZINC000084534821 178331687 /nfs/dbraw/zinc/33/16/87/178331687.db2.gz SZOJKDNSKVKTLT-UHFFFAOYSA-N -1 0 236.658 2.737 50 0 BFAARM Cc1ccc(/C=C/C(=O)[O-])c(Br)c1 ZINC000003399301 178354634 /nfs/dbraw/zinc/35/46/34/178354634.db2.gz RAVBNEMTZQOKCD-SNAWJCMRSA-N -1 0 241.084 2.855 50 0 BFAARM Cc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1 ZINC000100003183 178371659 /nfs/dbraw/zinc/37/16/59/178371659.db2.gz WRZMHTIRFOFFPY-UHFFFAOYSA-N -1 0 230.185 2.699 50 0 in-vitro BFAARM O=C([O-])c1cccc2c1C(=O)c1ccccc1-2 ZINC000000134818 342676244 /nfs/dbraw/zinc/67/62/44/342676244.db2.gz CBEFMGJHEKAMNI-UHFFFAOYSA-N -1 0 224.215 2.596 50 0 BFAARM O=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000000133373 342676433 /nfs/dbraw/zinc/67/64/33/342676433.db2.gz KYVUAHUKHLAOMK-UHFFFAOYSA-N -1 0 236.198 2.696 50 0 BFAARM O=C1CCCCC1=C([O-])c1cccs1 ZINC000000337211 342683816 /nfs/dbraw/zinc/68/38/16/342683816.db2.gz ALPXVBJYDYHXST-MRVPVSSYSA-N -1 0 208.282 2.690 50 0 BFAARM O=C([O-])c1cccc(N2Cc3ccccc3C2)c1 ZINC000000532366 342689467 /nfs/dbraw/zinc/68/94/67/342689467.db2.gz OPNQQNYLEULRRV-UHFFFAOYSA-N -1 0 239.274 2.905 50 0 BFAARM O=c1cc([O-])c2cc(Cl)cc(Cl)c2o1 ZINC000000057988 342672102 /nfs/dbraw/zinc/67/21/02/342672102.db2.gz PCBFNVWYTUVIOL-UHFFFAOYSA-N -1 0 231.034 2.805 50 0 biogenic,in-vitro BFAARM O=C([O-])c1cc(F)c(C(F)(F)F)cc1F ZINC000002382331 342719516 /nfs/dbraw/zinc/71/95/16/342719516.db2.gz DMVHPNBSOAALGT-UHFFFAOYSA-N -1 0 226.100 2.682 50 0 BFAARM Cc1c(C(=O)[O-])cccc1C(F)(F)F ZINC000002382288 342719519 /nfs/dbraw/zinc/71/95/19/342719519.db2.gz SSCFPSMXIDAJDT-UHFFFAOYSA-N -1 0 204.147 2.712 50 0 BFAARM O=C([O-])c1c(Cl)ccc(F)c1Cl ZINC000001732029 342711580 /nfs/dbraw/zinc/71/15/80/342711580.db2.gz NMFMJSSFYLXQAO-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM O=C([O-])[C@H](C[C@@H]1CCCS1)C(F)(F)F ZINC000004291200 342746170 /nfs/dbraw/zinc/74/61/70/342746170.db2.gz WZMDICHYPNRSDP-WDSKDSINSA-N -1 0 228.235 2.535 50 0 BFAARM CC1(C)CO[P@](=O)([O-])O[C@@H]1c1ccccc1 ZINC000004521432 342748525 /nfs/dbraw/zinc/74/85/25/342748525.db2.gz PSZSDCWNBXVDFG-SNVBAGLBSA-N -1 0 242.211 2.901 50 0 BFAARM CCCCC[P@@](=O)([O-])c1ccccc1 ZINC000002493450 342721362 /nfs/dbraw/zinc/72/13/62/342721362.db2.gz YYCWLINCFDWNSW-UHFFFAOYSA-N -1 0 212.229 2.773 50 0 BFAARM Nc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000002522309 342722486 /nfs/dbraw/zinc/72/24/86/342722486.db2.gz AZMVFOPKHNNXDO-UHFFFAOYSA-N -1 0 213.236 2.634 50 0 BFAARM O=C([O-])c1ccccc1-c1cccc(O)c1 ZINC000002528945 342722989 /nfs/dbraw/zinc/72/29/89/342722989.db2.gz JIKAGDRSOLWVAB-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM O=c1nc[n-]c2c(-c3ccc(F)cc3)csc21 ZINC000002541400 342723582 /nfs/dbraw/zinc/72/35/82/342723582.db2.gz FCWQPDHLEHUWSF-UHFFFAOYSA-N -1 0 246.266 2.791 50 0 BFAARM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1cccc(F)c1 ZINC000002574426 342725035 /nfs/dbraw/zinc/72/50/35/342725035.db2.gz YWYRHYHQPXIURO-GHMZBOCLSA-N -1 0 236.242 2.509 50 0 BFAARM O=C([O-])c1c(F)ccc(Cl)c1Cl ZINC000002575244 342725285 /nfs/dbraw/zinc/72/52/85/342725285.db2.gz OOQKLNYJVMPYIF-UHFFFAOYSA-N -1 0 209.003 2.831 50 0 BFAARM CCOc1cc(C(=O)[O-])ccc1OCC(C)C ZINC000003324618 342732402 /nfs/dbraw/zinc/73/24/02/342732402.db2.gz CPBWXAGZMTUBIM-UHFFFAOYSA-N -1 0 238.283 2.818 50 0 BFAARM Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(=O)[O-] ZINC000003683849 342736678 /nfs/dbraw/zinc/73/66/78/342736678.db2.gz ZHHYZWVFPWNKJL-JTQLQIEISA-N -1 0 229.279 2.981 50 0 BFAARM COc1c(Cl)cc(Cl)cc1CC(=O)[O-] ZINC000003750815 342737452 /nfs/dbraw/zinc/73/74/52/342737452.db2.gz SCCIRTQIRBQPBT-UHFFFAOYSA-N -1 0 235.066 2.629 50 0 BFAARM O=C([O-])c1cc(C2CC2)nc2ccc(F)cc21 ZINC000003757196 342737485 /nfs/dbraw/zinc/73/74/85/342737485.db2.gz HLCKTTRLVOHYDW-UHFFFAOYSA-N -1 0 231.226 2.950 50 0 BFAARM O=C([O-])c1cccc(Cc2ccccc2)c1 ZINC000005947249 342771764 /nfs/dbraw/zinc/77/17/64/342771764.db2.gz WHUFYYNKCXXKSU-UHFFFAOYSA-N -1 0 212.248 2.976 50 0 BFAARM CC[C@H](Oc1cc(C)ccc1C)C(=O)[O-] ZINC000008729626 342803631 /nfs/dbraw/zinc/80/36/31/342803631.db2.gz RLQFYNDCHSICJY-JTQLQIEISA-N -1 0 208.257 2.545 50 0 BFAARM Cc1sc(-c2cccs2)nc1CC(=O)[O-] ZINC000008729828 342803795 /nfs/dbraw/zinc/80/37/95/342803795.db2.gz CEVZCINETUGVRV-UHFFFAOYSA-N -1 0 239.321 2.807 50 0 BFAARM CN(c1ncccc1C(=O)[O-])C1CCCCC1 ZINC000008729750 342803799 /nfs/dbraw/zinc/80/37/99/342803799.db2.gz NBWYSKBYIIBKEY-UHFFFAOYSA-N -1 0 234.299 2.549 50 0 BFAARM O=C([O-])[C@H](Cc1ccncc1)c1ccc(F)cc1 ZINC000011570641 342841591 /nfs/dbraw/zinc/84/15/91/342841591.db2.gz WDEZUBOOGHWTEG-CYBMUJFWSA-N -1 0 245.253 2.632 50 0 BFAARM Cc1c2cc(F)cc(F)c2oc1C(=O)[O-] ZINC000011920435 342844507 /nfs/dbraw/zinc/84/45/07/342844507.db2.gz VIEBTMPYGMCTMU-UHFFFAOYSA-N -1 0 212.151 2.718 50 0 BFAARM O=C([O-])c1ccc(Oc2ccccn2)cc1 ZINC000012370375 342850363 /nfs/dbraw/zinc/85/03/63/342850363.db2.gz GKSKQZLHPWBLJL-UHFFFAOYSA-N -1 0 215.208 2.572 50 0 BFAARM CCc1nc2sc(C(=O)[O-])c(C)c2c(C)n1 ZINC000012505549 342852986 /nfs/dbraw/zinc/85/29/86/342852986.db2.gz PJBBERXZMJVUDI-UHFFFAOYSA-N -1 0 236.296 2.569 50 0 BFAARM O=C([O-])c1ccc(-c2ccccc2F)nc1 ZINC000012955814 342861963 /nfs/dbraw/zinc/86/19/63/342861963.db2.gz YJILCXGTKPCIMF-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM CC[C@@H](C(=O)[O-])n1cc(C(C)=O)c2ccccc21 ZINC000016474936 342911144 /nfs/dbraw/zinc/91/11/44/342911144.db2.gz WONGCYPXRDVLEE-LBPRGKRZSA-N -1 0 245.278 2.880 50 0 BFAARM CCCCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000011638454 346873637 /nfs/dbraw/zinc/87/36/37/346873637.db2.gz ROZUZHFOPFSZSN-UHFFFAOYSA-N -1 0 235.283 2.538 50 0 BFAARM Cc1ccc([C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC000019094016 342941613 /nfs/dbraw/zinc/94/16/13/342941613.db2.gz SSLIEVKLCVTOOJ-ZDUSSCGKSA-N -1 0 204.269 2.747 50 0 BFAARM CCCCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000019807090 342958594 /nfs/dbraw/zinc/95/85/94/342958594.db2.gz WEYQDPNRWPVLPT-UHFFFAOYSA-N -1 0 235.283 2.822 50 0 BFAARM CCCCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000020136568 342971414 /nfs/dbraw/zinc/97/14/14/342971414.db2.gz KWESINPAZIUPIZ-UHFFFAOYSA-N -1 0 235.283 2.822 50 0 BFAARM CCCCN(C)c1ccc(C(=O)[O-])cc1 ZINC000020079932 342967891 /nfs/dbraw/zinc/96/78/91/342967891.db2.gz MVQQSIJJJGMLEG-UHFFFAOYSA-N -1 0 207.273 2.621 50 0 BFAARM O=C([O-])c1cccnc1-c1ccc(F)cc1 ZINC000034102215 343264512 /nfs/dbraw/zinc/26/45/12/343264512.db2.gz ACGWDCZWNMSHNE-UHFFFAOYSA-N -1 0 217.199 2.586 50 0 BFAARM C[C@@H](C(=O)[O-])c1ccccc1Br ZINC000034413717 343270294 /nfs/dbraw/zinc/27/02/94/343270294.db2.gz HAZQYHDLSHWBEF-ZCFIWIBFSA-N -1 0 229.073 2.637 50 0 BFAARM Cc1nc(C(F)(F)F)c(C(F)(F)F)c(=O)[n-]1 ZINC000003876366 343272869 /nfs/dbraw/zinc/27/28/69/343272869.db2.gz PNKRATFJONVCBB-UHFFFAOYSA-N -1 0 246.110 2.528 50 0 BFAARM CSc1snc(C(F)(F)F)c1C(=O)[O-] ZINC000034512271 343273891 /nfs/dbraw/zinc/27/38/91/343273891.db2.gz NQXZMVCVHVUEGY-UHFFFAOYSA-N -1 0 243.231 2.582 50 0 BFAARM O=C([O-])c1cnc(-c2ccccc2F)s1 ZINC000034938251 343281228 /nfs/dbraw/zinc/28/12/28/343281228.db2.gz XXKQUDUROIXGAP-UHFFFAOYSA-N -1 0 223.228 2.647 50 0 BFAARM COc1c(F)ccc(CCC(=O)[O-])c1Cl ZINC000035605852 343300185 /nfs/dbraw/zinc/30/01/85/343300185.db2.gz XSBZMDZEWDUDHG-UHFFFAOYSA-N -1 0 232.638 2.505 50 0 BFAARM Nc1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000037933405 343362031 /nfs/dbraw/zinc/36/20/31/343362031.db2.gz BBCRLBBRTVEVSP-UHFFFAOYSA-N -1 0 229.235 2.759 50 0 BFAARM Cn1cc(C(=O)[O-])c(-c2coc3ccccc23)n1 ZINC000038342132 343374354 /nfs/dbraw/zinc/37/43/54/343374354.db2.gz XIUQORIIBPJVPX-UHFFFAOYSA-N -1 0 242.234 2.532 50 0 BFAARM Cc1cccc(-c2c[nH]c(C(=O)[O-])c2)c1 ZINC000038478326 343375620 /nfs/dbraw/zinc/37/56/20/343375620.db2.gz LKKXISVRLIUFPT-UHFFFAOYSA-N -1 0 201.225 2.688 50 0 BFAARM O=C([O-])[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000037380697 343343876 /nfs/dbraw/zinc/34/38/76/343343876.db2.gz URRRSJNYUQVDCI-YUMQZZPRSA-N -1 0 246.184 2.773 50 0 BFAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000037380726 343344204 /nfs/dbraw/zinc/34/42/04/343344204.db2.gz IYYOCNQIQCLRHF-DTWKUNHWSA-N -1 0 246.184 2.773 50 0 BFAARM C[C@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000037462430 343345871 /nfs/dbraw/zinc/34/58/71/343345871.db2.gz KIXVFBKJEAPPAR-SSDOTTSWSA-N -1 0 243.100 2.712 50 0 BFAARM O=C([O-])c1cccc(-c2cccc(F)c2F)n1 ZINC000039927824 343393374 /nfs/dbraw/zinc/39/33/74/343393374.db2.gz JUSDDTOOMCUOSY-UHFFFAOYSA-N -1 0 235.189 2.725 50 0 BFAARM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000043512207 343476365 /nfs/dbraw/zinc/47/63/65/343476365.db2.gz KOPLOHWBAJQCOI-SSDOTTSWSA-N -1 0 232.201 2.969 50 0 BFAARM CN(C)c1cccc(C(=O)CCCCC(=O)[O-])c1 ZINC000043214145 343465815 /nfs/dbraw/zinc/46/58/15/343465815.db2.gz LKNMKXZTTVDMPB-UHFFFAOYSA-N -1 0 249.310 2.580 50 0 BFAARM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000045091671 343523241 /nfs/dbraw/zinc/52/32/41/343523241.db2.gz XTIWPJVLMKVNCX-UHFFFAOYSA-N -1 0 249.310 2.503 50 0 BFAARM CC1(C)CCc2sc(C(=O)[O-])cc2C1 ZINC000070654434 343953464 /nfs/dbraw/zinc/95/34/64/343953464.db2.gz YEOUUQQDPYRPGP-UHFFFAOYSA-N -1 0 210.298 2.961 50 0 BFAARM CCCCCCc1n[n-]c(=NC(=O)OC)s1 ZINC000004694967 343965412 /nfs/dbraw/zinc/96/54/12/343965412.db2.gz JJFAKBBCFLZFFK-UHFFFAOYSA-N -1 0 243.332 2.839 50 0 BFAARM Cc1cccc(-c2ccc(C(=O)[O-])n2C)c1 ZINC000036917639 344483494 /nfs/dbraw/zinc/48/34/94/344483494.db2.gz RUZSGKWYWCUGHY-UHFFFAOYSA-N -1 0 215.252 2.699 50 0 BFAARM Cc1ccc2c(c1)C(=O)c1c-2cccc1C(=O)[O-] ZINC000000193186 344622198 /nfs/dbraw/zinc/62/21/98/344622198.db2.gz NZFCEQWXUDQEIS-UHFFFAOYSA-N -1 0 238.242 2.905 50 0 biogenic BFAARM Cc1onc(C(=O)[O-])c1COc1ccc(C)cc1 ZINC000006658180 178814706 /nfs/dbraw/zinc/81/47/06/178814706.db2.gz IGILQUDBJIFVKB-UHFFFAOYSA-N -1 0 247.250 2.569 50 0 BFAARM Cc1ccc([C@H](CC(=O)[O-])C2CC2)cc1 ZINC000011628807 178902077 /nfs/dbraw/zinc/90/20/77/178902077.db2.gz FLZVLJWUNKKFGA-LBPRGKRZSA-N -1 0 204.269 2.963 50 0 BFAARM O=C([O-])c1cc2cc(Cl)sc2[nH]1 ZINC000038866729 345856770 /nfs/dbraw/zinc/85/67/70/345856770.db2.gz SOGNHUJSAKAIRG-UHFFFAOYSA-N -1 0 201.634 2.581 50 0 in-vitro BFAARM COc1cc(C=O)cc(Br)c1[S-] ZINC000669371954 537948294 /nfs/dbraw/zinc/94/82/94/537948294.db2.gz CILNZPHXWXQMSQ-UHFFFAOYSA-N -1 0 247.113 2.559 50 0 BFAARM Cc1cccc(-c2ccc(S(=O)(=O)[O-])cc2)c1 ZINC000036294287 178993701 /nfs/dbraw/zinc/99/37/01/178993701.db2.gz ADAKMYBJTQFVMB-UHFFFAOYSA-N -1 0 248.303 2.909 50 0 BFAARM Cc1cccc(-n2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000100070217 179001407 /nfs/dbraw/zinc/00/14/07/179001407.db2.gz MYQYGEIESNRNPJ-UHFFFAOYSA-N -1 0 242.200 2.905 50 0 BFAARM Cc1cccc(C(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000015441730 179004178 /nfs/dbraw/zinc/00/41/78/179004178.db2.gz PKXDEXNTZYEKAT-SNVBAGLBSA-N -1 0 220.268 2.679 50 0 BFAARM Cc1cccc(C)c1C(=O)CC(C)(C)C(=O)[O-] ZINC000043214299 179029230 /nfs/dbraw/zinc/02/92/30/179029230.db2.gz SIUMLUDQBYQYJU-UHFFFAOYSA-N -1 0 234.295 2.987 50 0 BFAARM Cc1cccc(C)c1C(=O)C[C@H](C)CC(=O)[O-] ZINC000043214301 179029237 /nfs/dbraw/zinc/02/92/37/179029237.db2.gz JXNVEMDRLFYSHU-VIFPVBQESA-N -1 0 234.295 2.987 50 0 BFAARM Cc1ccccc1-c1nc(CC(=O)[O-])cs1 ZINC000036804848 179238585 /nfs/dbraw/zinc/23/85/85/179238585.db2.gz QOAVTPCFSGCCJT-UHFFFAOYSA-N -1 0 233.292 2.746 50 0 BFAARM Cc1ccccc1-c1cc(C(=O)[O-])ccn1 ZINC000041226814 179235461 /nfs/dbraw/zinc/23/54/61/179235461.db2.gz YIYGNARQGCKWTI-UHFFFAOYSA-N -1 0 213.236 2.755 50 0 BFAARM Cc1ccccc1-c1nc(C(=O)[O-])cs1 ZINC000034613494 179237030 /nfs/dbraw/zinc/23/70/30/179237030.db2.gz XXUMWTWIZGPWAY-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])[C@]12CC=CC[C@H]1Cc1ccccc12 ZINC000038435513 187420393 /nfs/dbraw/zinc/42/03/93/187420393.db2.gz JVYUXASPSRCULN-SMDDNHRTSA-N -1 0 214.264 2.531 50 0 BFAARM Cc1nc(-c2ccccc2F)sc1C(=O)[O-] ZINC000004993663 179867666 /nfs/dbraw/zinc/86/76/66/179867666.db2.gz ZNAHNFKZFMHFQE-UHFFFAOYSA-N -1 0 237.255 2.956 50 0 BFAARM Cc1cc(C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000054832864 187437397 /nfs/dbraw/zinc/43/73/97/187437397.db2.gz CRDHWIYPFSAPNL-UHFFFAOYSA-N -1 0 248.669 2.804 50 0 BFAARM COc1cc(Cl)cc2[nH]c(C(=O)[O-])cc21 ZINC000211628691 538048786 /nfs/dbraw/zinc/04/87/86/538048786.db2.gz XWTMCWOYEZEPKU-UHFFFAOYSA-N -1 0 225.631 2.528 50 0 BFAARM Cc1nc(NC2CCCCC2)sc1C(=O)[O-] ZINC000008024727 180015813 /nfs/dbraw/zinc/01/58/13/180015813.db2.gz KSHULPRHPKLIKH-UHFFFAOYSA-N -1 0 240.328 2.894 50 0 BFAARM Cc1ncc(C(F)(F)F)c(C(=O)[O-])c1Cl ZINC000071864039 180135084 /nfs/dbraw/zinc/13/50/84/180135084.db2.gz XDEOMQZABRDQFL-UHFFFAOYSA-N -1 0 239.580 2.760 50 0 BFAARM O=C(C=C([O-])c1cccc(F)c1)C(F)(F)F ZINC000100349736 191062976 /nfs/dbraw/zinc/06/29/76/191062976.db2.gz JRVIDAUJLHWEED-UHFFFAOYSA-N -1 0 234.148 2.530 50 0 BFAARM Cc1ccc(Nc2nc(C(=O)[O-])cs2)cc1 ZINC000033507898 350237807 /nfs/dbraw/zinc/23/78/07/350237807.db2.gz WIECVIMOUUVYJU-UHFFFAOYSA-N -1 0 234.280 2.893 50 0 BFAARM O=C([O-])c1coc(/C=C/c2ccccc2)n1 ZINC000034119809 350255964 /nfs/dbraw/zinc/25/59/64/350255964.db2.gz NMVNTFMOEXEYIC-VOTSOKGWSA-N -1 0 215.208 2.543 50 0 BFAARM O=C([O-])c1c(F)cc(C(F)(F)F)cc1F ZINC000096171645 187456438 /nfs/dbraw/zinc/45/64/38/187456438.db2.gz RYWDDEGVJSAZLQ-UHFFFAOYSA-N -1 0 226.100 2.682 50 0 BFAARM Cc1sc(-c2cccc(F)c2)nc1C(=O)[O-] ZINC000071547600 180555873 /nfs/dbraw/zinc/55/58/73/180555873.db2.gz TUZGDYDBXDXJTI-UHFFFAOYSA-N -1 0 237.255 2.956 50 0 BFAARM Cc1sc(Br)cc1C(=O)[O-] ZINC000083305309 180556571 /nfs/dbraw/zinc/55/65/71/180556571.db2.gz WYEYXOWAHAJXHE-UHFFFAOYSA-N -1 0 221.075 2.517 50 0 BFAARM Cc1nc(-c2ccsc2)c(Cl)c(=O)[n-]1 ZINC000426640566 191144184 /nfs/dbraw/zinc/14/41/84/191144184.db2.gz VIDFWJNKNRGXLK-UHFFFAOYSA-N -1 0 226.688 2.873 50 0 BFAARM CC(C)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000003245255 188100960 /nfs/dbraw/zinc/10/09/60/188100960.db2.gz RFGUKOKQKYFARZ-UHFFFAOYSA-N -1 0 234.324 2.715 50 0 BFAARM Cc1ccc(NC2(C(=O)[O-])CCCC2)cc1 ZINC000002559701 188101158 /nfs/dbraw/zinc/10/11/58/188101158.db2.gz VTYHRBPLKFUBFN-UHFFFAOYSA-N -1 0 219.284 2.804 50 0 BFAARM O=C1NC(=O)C(=Cc2ccc(Cl)s2)S1 ZINC000012341836 188104849 /nfs/dbraw/zinc/10/48/49/188104849.db2.gz AHUGQHNBLMULAP-HWKANZROSA-N -1 0 245.712 2.725 50 0 BFAARM CC(C)Cc1sc(Cl)nc1C(=O)[O-] ZINC000095095459 188145641 /nfs/dbraw/zinc/14/56/41/188145641.db2.gz WAQHWFSOHLVKJJ-UHFFFAOYSA-N -1 0 219.693 2.693 50 0 BFAARM CC(=O)Nc1cccc(-c2ccc(C(=O)[O-])o2)c1 ZINC000067783845 188129482 /nfs/dbraw/zinc/12/94/82/188129482.db2.gz QMNVAWJJKZPCGJ-UHFFFAOYSA-N -1 0 245.234 2.603 50 0 BFAARM Cc1ccc(Br)c([O-])c1F ZINC000085345165 188142830 /nfs/dbraw/zinc/14/28/30/188142830.db2.gz JUYXSZKVQBFLEX-UHFFFAOYSA-N -1 0 205.026 2.602 50 0 BFAARM CC(C)=CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000097018924 188148777 /nfs/dbraw/zinc/14/87/77/188148777.db2.gz XFUUGVRMIVMLNR-UHFFFAOYSA-N -1 0 247.294 2.609 50 0 BFAARM CC(C)(CC(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000002378757 188455831 /nfs/dbraw/zinc/45/58/31/188455831.db2.gz OIFCQQPSIVIJDB-UHFFFAOYSA-N -1 0 242.221 2.648 50 0 BFAARM CC(C)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000020074576 188462891 /nfs/dbraw/zinc/46/28/91/188462891.db2.gz NIWSUEFMFADENR-UHFFFAOYSA-N -1 0 217.268 2.996 50 0 BFAARM O=S(=O)([O-])/C(=C\Cl)CCc1ccccc1 ZINC000043761468 356371815 /nfs/dbraw/zinc/37/18/15/356371815.db2.gz ISQLLRCEDDIBAG-NTMALXAHSA-N -1 0 246.715 2.587 50 0 BFAARM COc1c2ccccc2sc1CC(=O)[O-] ZINC000045068764 356372220 /nfs/dbraw/zinc/37/22/20/356372220.db2.gz FAAHMVKTZQHENW-UHFFFAOYSA-N -1 0 222.265 2.537 50 0 BFAARM CCCC(=O)c1c(OC)cc(O)c(CC)c1O ZINC000015205786 356471513 /nfs/dbraw/zinc/47/15/13/356471513.db2.gz GRQAKVFPDMDUIF-UHFFFAOYSA-N -1 0 238.283 2.652 50 0 biogenic,in-vitro BFAARM CCc1onc(-c2ccc(C)o2)c1C(=O)[O-] ZINC000675057789 538480161 /nfs/dbraw/zinc/48/01/61/538480161.db2.gz PFKKOACAHOZYGQ-UHFFFAOYSA-N -1 0 221.212 2.504 50 0 BFAARM Cc1cccnc1Oc1ccc(C(=O)[O-])cc1 ZINC000051041397 357949350 /nfs/dbraw/zinc/94/93/50/357949350.db2.gz CLPDVEYWHGIWGY-UHFFFAOYSA-N -1 0 229.235 2.881 50 0 BFAARM O=C([O-])c1ccc(Cl)c2cccnc12 ZINC000012540145 219811513 /nfs/dbraw/zinc/81/15/13/219811513.db2.gz CAWINOOCACWKDM-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM CCCCCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000003660735 367860026 /nfs/dbraw/zinc/86/00/26/367860026.db2.gz KMLVZXZFTSHUSB-UHFFFAOYSA-N -1 0 235.283 2.904 50 0 BFAARM O=S(=O)([O-])c1ccc(Cc2ccccc2)cc1 ZINC000095630561 368382501 /nfs/dbraw/zinc/38/25/01/368382501.db2.gz SAAQPHIYUULWRE-UHFFFAOYSA-N -1 0 248.303 2.524 50 0 BFAARM O=C(C=C([O-])c1ccccc1)C(F)(F)Cl ZINC000146677141 368394962 /nfs/dbraw/zinc/39/49/62/368394962.db2.gz JZOPJJRQTLGMIN-UHFFFAOYSA-N -1 0 232.613 2.660 50 0 BFAARM Cc1ccc(C([O-])=C2CCCC2=O)cc1 ZINC000105748082 369065326 /nfs/dbraw/zinc/06/53/26/369065326.db2.gz FKYCAUDUFLIHBQ-LLVKDONJSA-N -1 0 202.253 2.547 50 0 BFAARM CCCC(=O)CCCCCCC(=O)[O-] ZINC000002378809 205457177 /nfs/dbraw/zinc/45/71/77/205457177.db2.gz BHMVWQCUELPXCR-UHFFFAOYSA-N -1 0 200.278 2.781 50 0 BFAARM O=C([O-])/C=C/c1nc2cccc3cccc([nH]1)c32 ZINC000016916426 182412547 /nfs/dbraw/zinc/41/25/47/182412547.db2.gz WLWIBKOIAMNPMO-BQYQJAHWSA-N -1 0 238.246 2.814 50 0 BFAARM O=C([O-])/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000020281493 182412845 /nfs/dbraw/zinc/41/28/45/182412845.db2.gz DTGDXORPULFIOX-AATRIKPKSA-N -1 0 233.654 2.986 50 0 BFAARM O=C([O-])/C=C/c1c(F)cccc1Cl ZINC000000152630 182412264 /nfs/dbraw/zinc/41/22/64/182412264.db2.gz NDWALECYVLNBQG-SNAWJCMRSA-N -1 0 200.596 2.577 50 0 BFAARM O=C([O-])C1(Oc2ccccc2)CCCCC1 ZINC000009189696 182423942 /nfs/dbraw/zinc/42/39/42/182423942.db2.gz DNANRJGFDPUDAM-UHFFFAOYSA-N -1 0 220.268 2.853 50 0 BFAARM O=C([O-])C1(c2ccc(F)cc2)CCCC1 ZINC000000155787 182425062 /nfs/dbraw/zinc/42/50/62/182425062.db2.gz VVMRZYODYMBLRJ-UHFFFAOYSA-N -1 0 208.232 2.722 50 0 BFAARM O=C([O-])CCCSc1nc2ccccc2[nH]1 ZINC000003268042 182441756 /nfs/dbraw/zinc/44/17/56/182441756.db2.gz HDIDVWDIDBGIAM-UHFFFAOYSA-N -1 0 236.296 2.520 50 0 BFAARM O=C([O-])COc1cccc(-c2ccccc2)c1 ZINC000032015525 182470808 /nfs/dbraw/zinc/47/08/08/182470808.db2.gz YOVGQDYNEVRBDW-UHFFFAOYSA-N -1 0 228.247 2.817 50 0 BFAARM O=C([O-])Cn1c2ccc(F)cc2c2c1CCCC2 ZINC000004973291 182497240 /nfs/dbraw/zinc/49/72/40/182497240.db2.gz ZKLIJPUNXYUOET-UHFFFAOYSA-N -1 0 247.269 2.744 50 0 BFAARM O=C([O-])Cc1nc(-c2ccc(F)cc2)cs1 ZINC000033465904 182495178 /nfs/dbraw/zinc/49/51/78/182495178.db2.gz CLUFEPMQCVLAFO-UHFFFAOYSA-N -1 0 237.255 2.576 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000037381107 182520185 /nfs/dbraw/zinc/52/01/85/182520185.db2.gz FJXYZGVJJOLGLQ-CRCLSJGQSA-N -1 0 202.662 2.590 50 0 BFAARM O=C([O-])[C@@H]1C[C@@H]1c1ccccc1Br ZINC000037380954 182520722 /nfs/dbraw/zinc/52/07/22/182520722.db2.gz SJXGNJABBYVEHY-HTQZYQBOSA-N -1 0 241.084 2.637 50 0 BFAARM O=C([O-])c1cc(-c2ccc(F)c(Cl)c2)on1 ZINC000082608230 182549342 /nfs/dbraw/zinc/54/93/42/182549342.db2.gz XPLRIOWVXSIDCZ-UHFFFAOYSA-N -1 0 241.605 2.832 50 0 BFAARM O=C([O-])c1ccc2oc(C(F)(F)F)nc2c1 ZINC000082346369 182574975 /nfs/dbraw/zinc/57/49/75/182574975.db2.gz WNQKTZKJWJTXGI-UHFFFAOYSA-N -1 0 231.129 2.545 50 0 BFAARM O=C([O-])c1cccc(-c2ccc(CO)cc2)c1 ZINC000016947604 182575156 /nfs/dbraw/zinc/57/51/56/182575156.db2.gz ZOCJZYHNQJDOGC-UHFFFAOYSA-N -1 0 228.247 2.544 50 0 BFAARM O=C([O-])c1ccc(-c2ccc(F)cc2)cc1O ZINC000047206891 182560812 /nfs/dbraw/zinc/56/08/12/182560812.db2.gz FZNXBABSGDSDJH-UHFFFAOYSA-N -1 0 232.210 2.897 50 0 BFAARM O=C([O-])c1ccc(-c2nccs2)s1 ZINC000002458580 182562251 /nfs/dbraw/zinc/56/22/51/182562251.db2.gz JOQDQGHUGZODMF-UHFFFAOYSA-N -1 0 211.267 2.570 50 0 BFAARM O=C([O-])c1cnc2ccc(F)cc2c1Cl ZINC000033569985 182590580 /nfs/dbraw/zinc/59/05/80/182590580.db2.gz NEMDTRIVHUEXJW-UHFFFAOYSA-N -1 0 225.606 2.726 50 0 BFAARM O=C([O-])c1ncsc1Nc1ccccc1 ZINC000081897035 182596207 /nfs/dbraw/zinc/59/62/07/182596207.db2.gz LHSFOSULVDZRBV-UHFFFAOYSA-N -1 0 220.253 2.585 50 0 BFAARM CCCCOC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000002169670 168886215 /nfs/dbraw/zinc/88/62/15/168886215.db2.gz GNBKEARJFHTJMV-UHFFFAOYSA-N -1 0 238.239 2.700 50 0 BFAARM O=Cc1cc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000016946373 182861071 /nfs/dbraw/zinc/86/10/71/182861071.db2.gz KNZXASBRSDQANH-UHFFFAOYSA-N -1 0 232.260 2.926 50 0 BFAARM O=c1[nH]c(=S)[n-]c2c(-c3ccccc3)c[nH]c21 ZINC000015828641 183252608 /nfs/dbraw/zinc/25/26/08/183252608.db2.gz PBKWDXLDBPRYIF-UHFFFAOYSA-N -1 0 243.291 2.993 50 0 BFAARM [O-]c1ccc(Br)c(F)c1Cl ZINC000063772435 183267652 /nfs/dbraw/zinc/26/76/52/183267652.db2.gz PVZYEBPYESHRRX-UHFFFAOYSA-N -1 0 225.444 2.947 50 0 BFAARM O=c1[n-]c(-c2ccccc2)nnc1-c1ccccc1 ZINC000004813128 183306297 /nfs/dbraw/zinc/30/62/97/183306297.db2.gz OVBZXBMCQXEFGU-UHFFFAOYSA-N -1 0 249.273 2.911 50 0 BFAARM O=c1[nH]c(=S)[n-]c2cc(-c3ccccc3)[nH]c21 ZINC000034434393 183306648 /nfs/dbraw/zinc/30/66/48/183306648.db2.gz LZZXYDOPESJDGI-UHFFFAOYSA-N -1 0 243.291 2.993 50 0 BFAARM [O-]c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000000168857 183304547 /nfs/dbraw/zinc/30/45/47/183304547.db2.gz SGZRMGCFXYGLQZ-UHFFFAOYSA-N -1 0 228.173 2.597 50 0 in-vitro BFAARM [O-]c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000000169308 183305154 /nfs/dbraw/zinc/30/51/54/183305154.db2.gz KNOFJPJDYVWHSP-UHFFFAOYSA-N -1 0 229.066 2.885 50 0 BFAARM S=c1[n-]nc(C2CC2)n1-c1ccccc1 ZINC000002522285 183315418 /nfs/dbraw/zinc/31/54/18/183315418.db2.gz WLGLHDYAQXRRMM-UHFFFAOYSA-N -1 0 217.297 2.807 50 0 BFAARM S=C([S-])N1CCc2[nH]c3ccccc3c2C1 ZINC000040162865 183312935 /nfs/dbraw/zinc/31/29/35/183312935.db2.gz DYTADPBJHFTQBD-UHFFFAOYSA-N -1 0 248.376 2.741 50 0 BFAARM CCCc1nc2ccccc2n1[C@@H](C)C(=O)[O-] ZINC000004941882 169595222 /nfs/dbraw/zinc/59/52/22/169595222.db2.gz OFYZINWGFMTKOQ-VIFPVBQESA-N -1 0 232.283 2.634 50 0 BFAARM O=C([O-])CCC(=O)c1ccc2ccccc2c1 ZINC000000051340 383819997 /nfs/dbraw/zinc/81/99/97/383819997.db2.gz GZKLCZIMSAHQDR-UHFFFAOYSA-N -1 0 228.247 2.887 50 0 biogenic BFAARM O=C([O-])C1(c2cccc(Cl)c2)CCC1 ZINC000000033714 383820080 /nfs/dbraw/zinc/82/00/80/383820080.db2.gz RCVMSQRTMODMHH-UHFFFAOYSA-N -1 0 210.660 2.846 50 0 BFAARM O=C([O-])/C=C/c1cc(Br)ccc1F ZINC000000057077 383822181 /nfs/dbraw/zinc/82/21/81/383822181.db2.gz ROTBALNVXDGIQY-DAFODLJHSA-N -1 0 245.047 2.686 50 0 BFAARM Cc1noc(C)c1COc1ccc(C(=O)[O-])cc1 ZINC000000091803 383823031 /nfs/dbraw/zinc/82/30/31/383823031.db2.gz FZZOXUGENAQGIJ-UHFFFAOYSA-N -1 0 247.250 2.569 50 0 BFAARM O=C([O-])Cc1ccccc1OCc1ccccc1 ZINC000000156109 383836919 /nfs/dbraw/zinc/83/69/19/383836919.db2.gz VFYKRBZHJFJOGQ-UHFFFAOYSA-N -1 0 242.274 2.893 50 0 BFAARM O=C([O-])/C=C/c1ccc(F)cc1Cl ZINC000000156381 383836995 /nfs/dbraw/zinc/83/69/95/383836995.db2.gz RJCWBTRMWGOREZ-DUXPYHPUSA-N -1 0 200.596 2.577 50 0 BFAARM O=C([O-])C[C@H]1CCC[C@H](c2ccccc2)C1=O ZINC000000276953 383850743 /nfs/dbraw/zinc/85/07/43/383850743.db2.gz WTBDYAFOVHATCN-VXGBXAGGSA-N -1 0 232.279 2.614 50 0 biogenic BFAARM COc1ccc(CCCCCC(=O)[O-])cc1 ZINC000035324005 383850817 /nfs/dbraw/zinc/85/08/17/383850817.db2.gz GYLAUURZVLOHNI-UHFFFAOYSA-N -1 0 222.284 2.883 50 0 BFAARM CC(C)(C)[C@@H]1CCc2onc(C(=O)[O-])c2C1 ZINC000000818993 383880815 /nfs/dbraw/zinc/88/08/15/383880815.db2.gz YAICHDLMXOAJLD-SSDOTTSWSA-N -1 0 223.272 2.524 50 0 BFAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=O)o1 ZINC000000450701 383869930 /nfs/dbraw/zinc/86/99/30/383869930.db2.gz FDTLOWDUZAUBOK-UHFFFAOYSA-N -1 0 230.219 2.766 50 0 BFAARM Cc1nc(C(=O)[O-])c(-c2ccccc2)s1 ZINC000000541090 383874729 /nfs/dbraw/zinc/87/47/29/383874729.db2.gz IUPHMHDVSPSLME-UHFFFAOYSA-N -1 0 219.265 2.817 50 0 BFAARM O=C([O-])c1csc(Cc2ccc(F)cc2)n1 ZINC000036220693 383886490 /nfs/dbraw/zinc/88/64/90/383886490.db2.gz LKDUMIREGXDTSP-UHFFFAOYSA-N -1 0 237.255 2.571 50 0 BFAARM O=[P@@]([O-])(O)Cc1ccc(Cl)cc1Cl ZINC000002178967 383956730 /nfs/dbraw/zinc/95/67/30/383956730.db2.gz WQLKAHBHPFUKOJ-UHFFFAOYSA-N -1 0 241.010 2.671 50 0 BFAARM Cc1ccc(C)c(C(=O)[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000002245627 383957418 /nfs/dbraw/zinc/95/74/18/383957418.db2.gz FLJWIBAXNGPNHL-NWDGAFQWSA-N -1 0 246.306 2.987 50 0 BFAARM O=C([O-])CCCC(=O)c1cc(F)c(F)c(F)c1 ZINC000002378688 383958860 /nfs/dbraw/zinc/95/88/60/383958860.db2.gz RSXJLAGQPSJXFY-UHFFFAOYSA-N -1 0 246.184 2.542 50 0 BFAARM O=C([O-])CCCC(=O)c1ccc(Cl)cc1 ZINC000002378611 383959677 /nfs/dbraw/zinc/95/96/77/383959677.db2.gz BVLILROMUFYKGH-UHFFFAOYSA-N -1 0 226.659 2.778 50 0 BFAARM O=C([O-])Cc1ccc2[nH]c3ccccc3c2c1 ZINC000002294005 383960158 /nfs/dbraw/zinc/96/01/58/383960158.db2.gz OKOWWPXKLYLOLH-UHFFFAOYSA-N -1 0 225.247 2.948 50 0 BFAARM CCCCC1=C([O-])C(C(=O)OCC)N=C1C ZINC000071773639 384001291 /nfs/dbraw/zinc/00/12/91/384001291.db2.gz VCZQIMXCBMLBTP-UHFFFAOYSA-N -1 0 225.288 2.548 50 0 BFAARM O=C([O-])CC[C@]1(c2ccccc2)CCCCC1=O ZINC000003639177 384022421 /nfs/dbraw/zinc/02/24/21/384022421.db2.gz ZDCBPGXPFYLDBZ-HNNXBMFYSA-N -1 0 246.306 2.932 50 0 BFAARM O=C([O-])CCc1cc(F)cc(C(F)(F)F)c1 ZINC000038529613 384086741 /nfs/dbraw/zinc/08/67/41/384086741.db2.gz YMWFPANNQODRFT-UHFFFAOYSA-N -1 0 236.164 2.862 50 0 BFAARM O=C([O-])CCc1ccc(F)cc1C(F)(F)F ZINC000038529788 384087142 /nfs/dbraw/zinc/08/71/42/384087142.db2.gz CBBKCHZQMFELAE-UHFFFAOYSA-N -1 0 236.164 2.862 50 0 BFAARM CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)[O-] ZINC000004771409 384079990 /nfs/dbraw/zinc/07/99/90/384079990.db2.gz LLMLSUSAKZVFOA-UJURSFKZSA-N -1 0 209.072 2.662 50 0 in-vitro BFAARM Cc1cccc([C@@H](CC(=O)[O-])n2cccc2)c1 ZINC000005751888 384128171 /nfs/dbraw/zinc/12/81/71/384128171.db2.gz WPEWHTJKEWLCPG-CYBMUJFWSA-N -1 0 229.279 2.861 50 0 BFAARM CC(C)c1nc(NC2CCCC2)ncc1C(=O)[O-] ZINC000257197420 384149291 /nfs/dbraw/zinc/14/92/91/384149291.db2.gz FFUWOCPMCWKQRS-UHFFFAOYSA-N -1 0 249.314 2.653 50 0 BFAARM O=C([O-])CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000006445990 384153882 /nfs/dbraw/zinc/15/38/82/384153882.db2.gz PUTVQEUMOTYCCR-UHFFFAOYSA-N -1 0 238.674 2.624 50 0 BFAARM O=C([O-])c1cc2cc(F)cc(F)c2s1 ZINC000091696105 384140949 /nfs/dbraw/zinc/14/09/49/384140949.db2.gz AKQBFIAFACNRAO-UHFFFAOYSA-N -1 0 214.192 2.878 50 0 BFAARM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[O-])c1 ZINC000006009001 384143654 /nfs/dbraw/zinc/14/36/54/384143654.db2.gz MLHQFMJKIPOZEV-JTQLQIEISA-N -1 0 222.284 2.970 50 0 BFAARM O=C([O-])Cc1ccc(-c2ccccc2)o1 ZINC000000409411 384173318 /nfs/dbraw/zinc/17/33/18/384173318.db2.gz BEJADIGQFSGSNS-UHFFFAOYSA-N -1 0 202.209 2.574 50 0 BFAARM O=C([O-])C1(c2cccc(Cl)c2F)CCC1 ZINC000116942464 384159909 /nfs/dbraw/zinc/15/99/09/384159909.db2.gz MERBYNKLQNNCEY-UHFFFAOYSA-N -1 0 228.650 2.985 50 0 BFAARM O=C([O-])C1=CC[C@@H](c2ccccc2)CC1 ZINC000071508380 384169528 /nfs/dbraw/zinc/16/95/28/384169528.db2.gz YRZUQRSZZQQEBL-LLVKDONJSA-N -1 0 202.253 2.965 50 0 BFAARM O=C([O-])Cc1ccccc1Cc1ccccc1 ZINC000006927493 384171011 /nfs/dbraw/zinc/17/10/11/384171011.db2.gz YSJHDWWFQVLNMR-UHFFFAOYSA-N -1 0 226.275 2.905 50 0 BFAARM Cc1cc(C(=O)[O-])nn1-c1ccccc1Cl ZINC000041272053 384185685 /nfs/dbraw/zinc/18/56/85/384185685.db2.gz LMHZNNNAMBXUPA-UHFFFAOYSA-N -1 0 236.658 2.532 50 0 BFAARM Cc1cc(C(=O)[O-])ccc1OCC(C)C ZINC000036194061 384181924 /nfs/dbraw/zinc/18/19/24/384181924.db2.gz PMPBUNFRMWMKBU-UHFFFAOYSA-N -1 0 208.257 2.728 50 0 BFAARM O=C([O-])CCCCC(=O)c1cccc(F)c1 ZINC000043212890 384264755 /nfs/dbraw/zinc/26/47/55/384264755.db2.gz DMONRVQMEUDSSS-UHFFFAOYSA-N -1 0 224.231 2.653 50 0 BFAARM Cc1nc(C(=O)[O-])c(-c2cccc(F)c2)s1 ZINC000075968381 384348869 /nfs/dbraw/zinc/34/88/69/384348869.db2.gz GCBMFDPCVMRYRN-UHFFFAOYSA-N -1 0 237.255 2.956 50 0 BFAARM Cc1cc(C)c2ccc(C(=O)[O-])cc2n1 ZINC000014987594 384411352 /nfs/dbraw/zinc/41/13/52/384411352.db2.gz IWKCHSWYNHEKGB-UHFFFAOYSA-N -1 0 201.225 2.550 50 0 BFAARM Cc1sc(NCc2ccccc2)nc1C(=O)[O-] ZINC000095471973 384378003 /nfs/dbraw/zinc/37/80/03/384378003.db2.gz ODWMWCGSPZBQCN-UHFFFAOYSA-N -1 0 248.307 2.762 50 0 BFAARM O=C([O-])CCSc1c[nH]c2ccccc12 ZINC000019735378 384533845 /nfs/dbraw/zinc/53/38/45/384533845.db2.gz VTEKIXUQAPZEIB-UHFFFAOYSA-N -1 0 221.281 2.735 50 0 BFAARM O=C([O-])CC[C@@H]1CCCc2ccccc21 ZINC000019908783 384555754 /nfs/dbraw/zinc/55/57/54/384555754.db2.gz FVUQSSILGMUFTL-NSHDSACASA-N -1 0 204.269 2.971 50 0 BFAARM O=C([O-])C1(Cc2cccc(Cl)c2)CC1 ZINC000049814834 384566948 /nfs/dbraw/zinc/56/69/48/384566948.db2.gz XODDTKHUOWEVSA-UHFFFAOYSA-N -1 0 210.660 2.747 50 0 BFAARM O=C([O-])Cc1cc(-c2ccc(Cl)cc2)on1 ZINC000020270420 384610092 /nfs/dbraw/zinc/61/00/92/384610092.db2.gz LHGYCEYGPIOBQW-UHFFFAOYSA-N -1 0 237.642 2.622 50 0 BFAARM O=C([O-])C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000020357934 384613686 /nfs/dbraw/zinc/61/36/86/384613686.db2.gz VVUFHHAYGVZPTQ-UHFFFAOYSA-N -1 0 230.185 2.822 50 0 BFAARM CC(C)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000100070097 384614974 /nfs/dbraw/zinc/61/49/74/384614974.db2.gz ZPIBFYQAWPGJNC-UHFFFAOYSA-N -1 0 202.257 2.701 50 0 BFAARM O=c1cc([O-])c2ccccc2n1-c1ccccc1 ZINC000100164258 384621174 /nfs/dbraw/zinc/62/11/74/384621174.db2.gz KZPBFZJUQUXVAO-UHFFFAOYSA-N -1 0 237.258 2.696 50 0 BFAARM O=C([O-])[C@H]1CC[C@H](C(=O)c2ccccc2)CC1 ZINC000100590108 384647877 /nfs/dbraw/zinc/64/78/77/384647877.db2.gz IQSXTPDJHKVQAF-TXEJJXNPSA-N -1 0 232.279 2.760 50 0 BFAARM O=C(c1ccccc1)C1=C([O-])c2ccoc2CC1 ZINC000100867970 384656115 /nfs/dbraw/zinc/65/61/15/384656115.db2.gz WFEFTPWEVLUTLS-LBPRGKRZSA-N -1 0 240.258 2.908 50 0 BFAARM COCCn1c(C)c(C)c2cc(C(=O)[O-])ccc21 ZINC000021803184 384694503 /nfs/dbraw/zinc/69/45/03/384694503.db2.gz BXMKYPCVOMFBEI-UHFFFAOYSA-N -1 0 247.294 2.603 50 0 BFAARM Cc1ccc(N(C)C(C)C)c(C(=O)[O-])c1 ZINC000052982192 384757351 /nfs/dbraw/zinc/75/73/51/384757351.db2.gz FLHLMNOUCGTSDJ-UHFFFAOYSA-N -1 0 207.273 2.538 50 0 BFAARM O=C([O-])c1coc2c1cccc2Br ZINC000084061152 384831480 /nfs/dbraw/zinc/83/14/80/384831480.db2.gz IJEZISLPHXSBTK-UHFFFAOYSA-N -1 0 241.040 2.894 50 0 BFAARM O=C([O-])Cc1cc(-c2cc3ccccc3o2)on1 ZINC000026421073 384874310 /nfs/dbraw/zinc/87/43/10/384874310.db2.gz QIKSGCCTSBCGBJ-UHFFFAOYSA-N -1 0 243.218 2.715 50 0 BFAARM O=C([O-])Cc1ccccc1-c1ccc(O)cc1 ZINC000032002927 385119634 /nfs/dbraw/zinc/11/96/34/385119634.db2.gz QNGDZVQNBUIZEX-UHFFFAOYSA-N -1 0 228.247 2.686 50 0 BFAARM O=C([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000033986325 385272353 /nfs/dbraw/zinc/27/23/53/385272353.db2.gz RERINLRFXYGZEE-UHFFFAOYSA-N -1 0 205.040 2.621 50 0 in-vitro BFAARM CC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000034241621 385275630 /nfs/dbraw/zinc/27/56/30/385275630.db2.gz IAPWSRGXLFGVQR-UHFFFAOYSA-N -1 0 205.040 2.902 50 0 BFAARM O=C([O-])C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000034293464 385277092 /nfs/dbraw/zinc/27/70/92/385277092.db2.gz BUJBAYNWPMAINK-RQJHMYQMSA-N -1 0 210.195 2.830 50 0 BFAARM O=C([O-])Cc1cc(Br)ccc1Cl ZINC000034574750 385285487 /nfs/dbraw/zinc/28/54/87/385285487.db2.gz UZYYQYJXBQXUDT-UHFFFAOYSA-N -1 0 249.491 2.730 50 0 BFAARM O=C([O-])c1cnccc1-c1cccs1 ZINC000065355576 385300910 /nfs/dbraw/zinc/30/09/10/385300910.db2.gz SEICRSLAJGWVID-UHFFFAOYSA-N -1 0 205.238 2.508 50 0 BFAARM O=C([O-])c1cc(F)cc(-c2ccccc2O)c1 ZINC000065340062 385300966 /nfs/dbraw/zinc/30/09/66/385300966.db2.gz KNAHNYJQQNDRAY-UHFFFAOYSA-N -1 0 232.210 2.897 50 0 BFAARM O=C([O-])c1cc(O)cc(-c2ccccc2)c1 ZINC000065349369 385301685 /nfs/dbraw/zinc/30/16/85/385301685.db2.gz YALBISYENZHRMZ-UHFFFAOYSA-N -1 0 214.220 2.757 50 0 BFAARM C/C=C(\C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000221724864 386017673 /nfs/dbraw/zinc/01/76/73/386017673.db2.gz YISSFKFLUCKBRA-XBXARRHUSA-N -1 0 233.267 2.598 50 0 BFAARM Cc1c(Cl)cc(Cl)cc1CC(=O)[O-] ZINC000263625349 386159353 /nfs/dbraw/zinc/15/93/53/386159353.db2.gz ZCHWQRORCAJFSK-UHFFFAOYSA-N -1 0 219.067 2.929 50 0 BFAARM CCCCN(CCCC)C(=O)CCCC(=O)[O-] ZINC000003663293 386774841 /nfs/dbraw/zinc/77/48/41/386774841.db2.gz DYTDXFORVITPGA-UHFFFAOYSA-N -1 0 243.347 2.670 50 0 BFAARM Cc1c(F)c(Br)ccc1C(=O)[O-] ZINC000067802610 387096783 /nfs/dbraw/zinc/09/67/83/387096783.db2.gz BVAPYHANHITQQW-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM O=C([O-])/C=C(\Cl)C(Cl)(Cl)Cl ZINC000004827904 387233791 /nfs/dbraw/zinc/23/37/91/387233791.db2.gz FNCZSFIKXGUZMW-UPHRSURJSA-N -1 0 223.870 2.564 50 0 BFAARM O=C([O-])c1ccc(Sc2ccccc2)cn1 ZINC000122761299 387306065 /nfs/dbraw/zinc/30/60/65/387306065.db2.gz HYZDZIARTNYJRF-UHFFFAOYSA-N -1 0 231.276 2.931 50 0 BFAARM Cc1cc2occ(CC(=O)[O-])c2c(C)c1 ZINC000000204603 177877396 /nfs/dbraw/zinc/87/73/96/177877396.db2.gz AQIAZHNIQWVFEH-UHFFFAOYSA-N -1 0 204.225 2.677 50 0 biogenic BFAARM Cc1cc(C(=O)[O-])ccc1NCc1ccncc1 ZINC000004935109 177824812 /nfs/dbraw/zinc/82/48/12/177824812.db2.gz KOWIGDXCNHPVSN-UHFFFAOYSA-N -1 0 242.278 2.700 50 0 BFAARM O=C([O-])[C@H](c1ccncc1)C1CCCCC1 ZINC000083010683 388045015 /nfs/dbraw/zinc/04/50/15/388045015.db2.gz LCOQAOKOYAJCQQ-LBPRGKRZSA-N -1 0 219.284 2.830 50 0 BFAARM C/C=C/C=C\C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000217378637 388371884 /nfs/dbraw/zinc/37/18/84/388371884.db2.gz XDFAJFSURQDIBM-ICWBMWKASA-N -1 0 245.278 2.764 50 0 BFAARM Cc1cc(C([O-])=CC(=O)C(F)(F)F)c(C)o1 ZINC000100474891 177731830 /nfs/dbraw/zinc/73/18/30/177731830.db2.gz BHOMEGVDWHEJTQ-UHFFFAOYSA-N -1 0 234.173 2.601 50 0 BFAARM CC1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000002598911 132315113 /nfs/dbraw/zinc/31/51/13/132315113.db2.gz ZIFMYTNXBNDWLU-UHFFFAOYSA-N -1 0 219.284 2.621 50 0 BFAARM Cc1c(C(=O)[O-])cccc1N1CCCCC1 ZINC000004245088 132316294 /nfs/dbraw/zinc/31/62/94/132316294.db2.gz RZQWNANFHHDHHJ-UHFFFAOYSA-N -1 0 219.284 2.684 50 0 BFAARM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000020392223 397964132 /nfs/dbraw/zinc/96/41/32/397964132.db2.gz NOGUBTGKXFAAGO-RYUDHWBXSA-N -1 0 204.269 2.998 50 0 BFAARM O=C([O-])c1cc(=O)c2sc3ccccc3c2o1 ZINC000082310041 398067370 /nfs/dbraw/zinc/06/73/70/398067370.db2.gz OLLOFISPVBEVLC-UHFFFAOYSA-N -1 0 246.243 2.706 50 0 BFAARM CC(C)Oc1cc(C(=O)[O-])cc2occc21 ZINC000045921129 167285124 /nfs/dbraw/zinc/28/51/24/167285124.db2.gz GVKWKBCDWPFDAK-UHFFFAOYSA-N -1 0 220.224 2.918 50 0 BFAARM CC(=O)c1ccc([C@@H](C)CCC(=O)[O-])cc1 ZINC000000271995 411240759 /nfs/dbraw/zinc/24/07/59/411240759.db2.gz DGTNPYOULHICNW-VIFPVBQESA-N -1 0 220.268 2.858 50 0 biogenic BFAARM CCOC(=O)C=C([O-])c1ccc(Cl)s1 ZINC000035285934 170197022 /nfs/dbraw/zinc/19/70/22/170197022.db2.gz WEZMBZKPZTUAFI-UHFFFAOYSA-N -1 0 232.688 2.537 50 0 BFAARM CC[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000002526138 170946373 /nfs/dbraw/zinc/94/63/73/170946373.db2.gz HDTBFPIWBVTQGT-SECBINFHSA-N -1 0 248.200 2.947 50 0 BFAARM CC[C@H](C)Oc1ccccc1/C=C/C(=O)[O-] ZINC000020526607 171357307 /nfs/dbraw/zinc/35/73/07/171357307.db2.gz YUJZBOIWYIYWLF-DDXVTDLHSA-N -1 0 220.268 2.962 50 0 BFAARM CC[C@H](Oc1cccc(C)c1C)C(=O)[O-] ZINC000006048937 171590789 /nfs/dbraw/zinc/59/07/89/171590789.db2.gz KSFMZAWHPAXTJY-JTQLQIEISA-N -1 0 208.257 2.545 50 0 BFAARM CCc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1 ZINC000100404417 171782940 /nfs/dbraw/zinc/78/29/40/171782940.db2.gz KDDQMNMAUZHOMD-UHFFFAOYSA-N -1 0 244.212 2.953 50 0 BFAARM CCn1c(=O)c2c(C)c(C)sc2[n-]c1=S ZINC000000371798 172133333 /nfs/dbraw/zinc/13/33/33/172133333.db2.gz XLKJPERNTVDPON-UHFFFAOYSA-N -1 0 240.353 2.757 50 0 BFAARM CCn1c(C)c(C(=O)[O-])c2cc(OC)ccc21 ZINC000000529408 172134814 /nfs/dbraw/zinc/13/48/14/172134814.db2.gz FLWUGEDKKNENRR-UHFFFAOYSA-N -1 0 233.267 2.676 50 0 BFAARM CN(Cc1ccco1)c1ccccc1C(=O)[O-] ZINC000035716197 172891425 /nfs/dbraw/zinc/89/14/25/172891425.db2.gz HHTKAJYLLQQPNA-UHFFFAOYSA-N -1 0 231.251 2.614 50 0 BFAARM COc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000000123150 174929063 /nfs/dbraw/zinc/92/90/63/174929063.db2.gz XSYZTYQXKIXPRC-UHFFFAOYSA-N -1 0 221.039 2.700 50 0 biogenic BFAARM COc1cc(-c2ccc(C(=O)[O-])cc2)ccc1O ZINC000065342513 174937608 /nfs/dbraw/zinc/93/76/08/174937608.db2.gz PIPNZBIJJWCSCS-UHFFFAOYSA-N -1 0 244.246 2.766 50 0 BFAARM COc1cc(C)c(CC(=O)[O-])cc1C(C)C ZINC000003750808 174957240 /nfs/dbraw/zinc/95/72/40/174957240.db2.gz CXPFDTMEYYLMDZ-UHFFFAOYSA-N -1 0 222.284 2.754 50 0 BFAARM COc1ccc(-c2cccc(CC(=O)[O-])c2)cc1 ZINC000001259576 175034272 /nfs/dbraw/zinc/03/42/72/175034272.db2.gz VDSFTORZALGAEI-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM COc1ccc(-c2csc(C(=O)[O-])n2)cc1 ZINC000012404818 175038038 /nfs/dbraw/zinc/03/80/38/175038038.db2.gz ZYQVZIBTYDJJHV-UHFFFAOYSA-N -1 0 235.264 2.517 50 0 BFAARM COc1ccc(/C(=C/C(=O)[O-])C2CC2)cc1OC ZINC000011628551 175045692 /nfs/dbraw/zinc/04/56/92/175045692.db2.gz QNTOXILJSLYTEG-DHZHZOJOSA-N -1 0 248.278 2.582 50 0 BFAARM COc1ccc(C(=O)[O-])c(Cl)c1Cl ZINC000034183589 175064559 /nfs/dbraw/zinc/06/45/59/175064559.db2.gz OPUBSPQVQNPGBG-UHFFFAOYSA-N -1 0 221.039 2.700 50 0 BFAARM COc1ccc(C(=O)[O-])c(OC2CCCC2)c1 ZINC000042372639 175064532 /nfs/dbraw/zinc/06/45/32/175064532.db2.gz XEGGHWSJAZDNJQ-UHFFFAOYSA-N -1 0 236.267 2.715 50 0 BFAARM COc1ccc2c(Cl)cc(C(=O)[O-])nc2c1 ZINC000077255168 175204836 /nfs/dbraw/zinc/20/48/36/175204836.db2.gz NRSHXBBQICYYFJ-UHFFFAOYSA-N -1 0 237.642 2.595 50 0 BFAARM COc1ccc2c(c1)c(C)c(C)n2CCC(=O)[O-] ZINC000000345299 175217987 /nfs/dbraw/zinc/21/79/87/175217987.db2.gz IKEDSZPDQGUTBQ-UHFFFAOYSA-N -1 0 247.294 2.741 50 0 BFAARM COc1cccc(-c2ccccc2CC(=O)[O-])c1 ZINC000002581006 175235252 /nfs/dbraw/zinc/23/52/52/175235252.db2.gz BWFLKFVOJFTSQU-UHFFFAOYSA-N -1 0 242.274 2.989 50 0 BFAARM COc1ccccc1Cn1c(C)ccc1C(=O)[O-] ZINC000096113688 175334827 /nfs/dbraw/zinc/33/48/27/175334827.db2.gz YFVJJXXEINWZJG-UHFFFAOYSA-N -1 0 245.278 2.552 50 0 BFAARM C[C@@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000037462428 175770796 /nfs/dbraw/zinc/77/07/96/175770796.db2.gz KIXVFBKJEAPPAR-ZETCQYMHSA-N -1 0 243.100 2.712 50 0 BFAARM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000000056613 177022313 /nfs/dbraw/zinc/02/23/13/177022313.db2.gz MZHCENGPTKEIGP-YFKPBYRVSA-N -1 0 235.066 2.845 50 0 in-vitro BFAARM C[C@H](Sc1ccc2ccccc2n1)C(=O)[O-] ZINC000000553695 177029291 /nfs/dbraw/zinc/02/92/91/177029291.db2.gz JLYPYACZXPBHLU-QMMMGPOBSA-N -1 0 233.292 2.800 50 0 BFAARM Cc1c(Br)scc1C(=O)[O-] ZINC000095883648 177572573 /nfs/dbraw/zinc/57/25/73/177572573.db2.gz GUDPKPJDKHTKEI-UHFFFAOYSA-N -1 0 221.075 2.517 50 0 BFAARM Cc1c2cc(Cl)ccc2n(C)c1C(=O)[O-] ZINC000004992723 177572647 /nfs/dbraw/zinc/57/26/47/177572647.db2.gz YWHLWJBYLZEDNM-UHFFFAOYSA-N -1 0 223.659 2.838 50 0 BFAARM O=C([O-])c1cccc2cncc(Cl)c21 ZINC000498047861 226330171 /nfs/dbraw/zinc/33/01/71/226330171.db2.gz WLKVSRPUHQMAGH-UHFFFAOYSA-N -1 0 207.616 2.586 50 0 BFAARM Cc1c(Br)ccc(F)c1C(=O)[O-] ZINC000216865270 323092270 /nfs/dbraw/zinc/09/22/70/323092270.db2.gz DHAJISDATRWQGB-UHFFFAOYSA-N -1 0 233.036 2.595 50 0 BFAARM O=C([O-])c1ccc(-c2cnn(CC3CC3)c2)cc1 ZINC000534574541 323153787 /nfs/dbraw/zinc/15/37/87/323153787.db2.gz OXIOINYTFLYQAY-UHFFFAOYSA-N -1 0 242.278 2.658 50 0 BFAARM O=C([O-])c1cnc(-c2ccc3[nH]ccc3c2)s1 ZINC000534651667 323157438 /nfs/dbraw/zinc/15/74/38/323157438.db2.gz FEAXHEYEAGQLJK-UHFFFAOYSA-N -1 0 244.275 2.990 50 0 BFAARM O=C([O-])CCSCC1CCCCC1 ZINC000019432103 967496680 /nfs/dbraw/zinc/49/66/80/967496680.db2.gz FFANRODPBWKDBR-UHFFFAOYSA-N -1 0 202.319 2.775 50 0 BFAARM O=C([O-])[C@H]1CC[C@@H](CC(=O)c2ccccc2)C1 ZINC000002245633 978466380 /nfs/dbraw/zinc/46/63/80/978466380.db2.gz KUSALHNDZJBSBH-PWSUYJOCSA-N -1 0 232.279 2.760 50 0 BFAARM