smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000000159267 219305082 /nfs/dbraw/zinc/30/50/82/219305082.db2.gz BLPUJDWDLFXOJQ-DUXPYHPUSA-N -1 0 350.214 5.082 50 0 FKAARM O=C([O-])c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1 ZINC000000596951 210249879 /nfs/dbraw/zinc/24/98/79/210249879.db2.gz LMPZHLXYBWGGNT-UHFFFAOYSA-N -1 0 370.408 5.256 50 0 aggregator,investigational FKAARM O=C([O-])[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1 ZINC000000598193 210249766 /nfs/dbraw/zinc/24/97/66/210249766.db2.gz ZEYYDOLCHFETHQ-JOCHJYFZSA-N -1 0 361.441 5.172 50 0 investigational FKAARM [O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O ZINC000000608213 570438277 /nfs/dbraw/zinc/43/82/77/570438277.db2.gz JFIOVJDNOJYLKP-UHFFFAOYSA-N -1 0 356.057 5.863 50 0 world FKAARM CC(C)Oc1ccc(COc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000000623216 219305834 /nfs/dbraw/zinc/30/58/34/219305834.db2.gz KOLGILXZTXBLJB-AWEZNQCLSA-N -1 0 362.853 5.284 50 0 FKAARM CC(C)Oc1ccc(COc2ccc([C@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000000623217 210251548 /nfs/dbraw/zinc/25/15/48/210251548.db2.gz KOLGILXZTXBLJB-CQSZACIVSA-N -1 0 362.853 5.284 50 0 FKAARM O=C([O-])c1c2cc(OCc3ccccc3F)ccc2oc1-c1ccccc1 ZINC000000629842 210224557 /nfs/dbraw/zinc/22/45/57/210224557.db2.gz JWMUQOCDJIMZAL-UHFFFAOYSA-N -1 0 362.356 5.516 50 0 FKAARM Cc1csc([N-]c2nc(-c3sc(-c4ccccc4)nc3C)cs2)n1 ZINC000000633712 570441400 /nfs/dbraw/zinc/44/14/00/570441400.db2.gz LWVZDWBIEJBSBQ-UHFFFAOYSA-N -1 0 370.528 5.751 50 0 FKAARM O=C([O-])c1c2cc(OCc3ccc(F)cc3)ccc2oc1-c1ccccc1 ZINC000000634137 567943706 /nfs/dbraw/zinc/94/37/06/567943706.db2.gz JYMWWCZCGYKXAB-UHFFFAOYSA-N -1 0 362.356 5.516 50 0 FKAARM C[C@@H](c1ccccc1)[C@H](OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000000638372 570441912 /nfs/dbraw/zinc/44/19/12/570441912.db2.gz ZILVNGDABJDQKH-KKSFZXQISA-N -1 0 360.409 5.087 50 0 FKAARM Cc1oc2ccc(OCc3ccc(Cl)cc3Cl)cc2c1C(=O)[O-] ZINC000000639326 219307964 /nfs/dbraw/zinc/30/79/64/219307964.db2.gz VLNKGYVMUWTEAV-UHFFFAOYSA-N -1 0 351.185 5.325 50 0 FKAARM Cc1ccc(COc2ccc3oc(-c4ccccc4)c(C(=O)[O-])c3c2)cc1 ZINC000000639330 567964604 /nfs/dbraw/zinc/96/46/04/567964604.db2.gz IRYJBRNMAZHVOH-UHFFFAOYSA-N -1 0 358.393 5.685 50 0 FKAARM Cc1oc2ccc(OCc3c(Cl)cccc3Cl)cc2c1C(=O)[O-] ZINC000000639336 219307914 /nfs/dbraw/zinc/30/79/14/219307914.db2.gz MGZXVXMTZCLZEV-UHFFFAOYSA-N -1 0 351.185 5.325 50 0 FKAARM Cc1oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2c1C(=O)[O-] ZINC000000639349 210224157 /nfs/dbraw/zinc/22/41/57/210224157.db2.gz LWGTYKKMXXWBHL-UHFFFAOYSA-N -1 0 351.185 5.325 50 0 FKAARM Cc1ccccc1COc1ccc2oc(-c3ccccc3)c(C(=O)[O-])c2c1 ZINC000000639358 206796218 /nfs/dbraw/zinc/79/62/18/206796218.db2.gz YWWXFTRVVNQMNQ-UHFFFAOYSA-N -1 0 358.393 5.685 50 0 FKAARM CC(C)[C@@H](OC(=O)c1ccccc1C(=O)[O-])[C@H](c1ccccc1)C(C)C ZINC000000640342 206819542 /nfs/dbraw/zinc/81/95/42/206819542.db2.gz CRQCSBYENVXPFS-VQTJNVASSA-N -1 0 354.446 5.006 50 0 FKAARM CC(C)[C@@H](OC(=O)c1ccccc1C(=O)[O-])[C@@H](c1ccccc1)C(C)C ZINC000000640343 219308445 /nfs/dbraw/zinc/30/84/45/219308445.db2.gz CRQCSBYENVXPFS-WOJBJXKFSA-N -1 0 354.446 5.006 50 0 FKAARM CC(C)[C@H](OC(=O)c1ccccc1C(=O)[O-])[C@H](c1ccccc1)C(C)C ZINC000000640345 219308281 /nfs/dbraw/zinc/30/82/81/219308281.db2.gz CRQCSBYENVXPFS-PMACEKPBSA-N -1 0 354.446 5.006 50 0 FKAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000000641802 210256678 /nfs/dbraw/zinc/25/66/78/210256678.db2.gz ZTNMPRCCESGEAH-UHFFFAOYSA-N -1 0 364.681 5.064 50 0 FKAARM C[C@@H](c1ccccc1)N(C(=O)c1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000000641886 570443060 /nfs/dbraw/zinc/44/30/60/570443060.db2.gz NCYIVOVUPRJYNJ-ROUUACIJSA-N -1 0 373.452 5.349 50 0 FKAARM C[C@H](c1ccccc1)N(C(=O)c1ccccc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC000000641896 570443024 /nfs/dbraw/zinc/44/30/24/570443024.db2.gz NCYIVOVUPRJYNJ-QZTJIDSGSA-N -1 0 373.452 5.349 50 0 FKAARM O=C1C(=O)C(CCC[C@@H]2CC[C@H]3CCCC[C@H]3C2)=C([O-])c2ccccc21 ZINC000000642078 570442922 /nfs/dbraw/zinc/44/29/22/570442922.db2.gz AWYKAOYJOQIVKI-ZACQAIPSSA-N -1 0 352.474 5.655 50 0 FKAARM CC(C)c1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000000647364 570443766 /nfs/dbraw/zinc/44/37/66/570443766.db2.gz FAFVYBXTAZBAII-UHFFFAOYSA-N -1 0 370.246 5.486 50 0 FKAARM Cc1cc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c(C)s1 ZINC000000647534 210257433 /nfs/dbraw/zinc/25/74/33/210257433.db2.gz ZQLRQIBWPQUPTL-UHFFFAOYSA-N -1 0 362.248 5.041 50 0 FKAARM CCc1ccc(-c2nc(Nc3ccc(Cl)cc3)sc2CC(=O)[O-])cc1 ZINC000000657852 219309916 /nfs/dbraw/zinc/30/99/16/219309916.db2.gz ADUZLIDZUZUZJK-UHFFFAOYSA-N -1 0 372.877 5.397 50 0 FKAARM Cc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000000658089 210258575 /nfs/dbraw/zinc/25/85/75/210258575.db2.gz ZIOIPVSPKLZYGZ-UHFFFAOYSA-N -1 0 372.877 5.451 50 0 FKAARM CSc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000000677636 568077982 /nfs/dbraw/zinc/07/79/82/568077982.db2.gz OAIOJQPKEDIYKB-UHFFFAOYSA-N -1 0 374.259 5.084 50 0 FKAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000000682490 570761732 /nfs/dbraw/zinc/76/17/32/570761732.db2.gz DVWFVMZRDZCBCS-UHFFFAOYSA-N -1 0 351.016 5.258 50 0 FKAARM O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000692888 570450829 /nfs/dbraw/zinc/45/08/29/570450829.db2.gz HCHWBLMOUFYABM-UHFFFAOYSA-N -1 0 362.665 5.083 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccc(Cl)cc21 ZINC000000709344 203945307 /nfs/dbraw/zinc/94/53/07/203945307.db2.gz LCUJVPKQAPUUAQ-UHFFFAOYSA-N -1 0 362.610 5.016 50 0 FKAARM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccc(Cl)cc1 ZINC000000714963 219316566 /nfs/dbraw/zinc/31/65/66/219316566.db2.gz PKAQUCGJDWSTGF-UHFFFAOYSA-N -1 0 357.818 5.019 50 0 FKAARM Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000000714964 210264799 /nfs/dbraw/zinc/26/47/99/210264799.db2.gz IWIGQJKWMNVSOD-UHFFFAOYSA-N -1 0 371.845 5.327 50 0 FKAARM Cc1cc([N-]S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)no1 ZINC000000717128 570452514 /nfs/dbraw/zinc/45/25/14/570452514.db2.gz RTFMHLUXWQLEJE-UHFFFAOYSA-N -1 0 364.511 5.154 50 0 FKAARM Cc1ccc(-c2csc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)cc1 ZINC000000723935 570453304 /nfs/dbraw/zinc/45/33/04/570453304.db2.gz MLALCNSYCGEUCU-UHFFFAOYSA-N -1 0 364.495 5.144 50 0 FKAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000000753204 570454488 /nfs/dbraw/zinc/45/44/88/570454488.db2.gz PTEIICCCKUAOBH-UHFFFAOYSA-N -1 0 371.072 5.101 50 0 FKAARM Cc1cc(Oc2ccc(-c3ccccc3)cc2)nc(-c2ccccc2[O-])n1 ZINC000000753235 570454383 /nfs/dbraw/zinc/45/43/83/570454383.db2.gz MAFHJBFJJMJTSZ-UHFFFAOYSA-N -1 0 354.409 5.617 50 0 FKAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000000753274 210267676 /nfs/dbraw/zinc/26/76/76/210267676.db2.gz DFFDYNVDTLJCGX-UHFFFAOYSA-N -1 0 371.072 5.101 50 0 FKAARM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000753324 570454931 /nfs/dbraw/zinc/45/49/31/570454931.db2.gz ZHMQUTYADDALLW-LLVKDONJSA-N -1 0 358.290 5.308 50 0 FKAARM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000753325 219318619 /nfs/dbraw/zinc/31/86/19/219318619.db2.gz ZHMQUTYADDALLW-NSHDSACASA-N -1 0 358.290 5.308 50 0 FKAARM CC(C)(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc(C(C)(C)C)c1 ZINC000000754401 219318159 /nfs/dbraw/zinc/31/81/59/219318159.db2.gz OPGAFUAHBQBYEO-UHFFFAOYSA-N -1 0 353.462 5.232 50 0 FKAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000000754491 568181365 /nfs/dbraw/zinc/18/13/65/568181365.db2.gz FYSQFPTUKDSCLG-UHFFFAOYSA-N -1 0 365.241 5.559 50 0 FKAARM Cc1ccnc([N-]S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 ZINC000000754525 570454842 /nfs/dbraw/zinc/45/48/42/570454842.db2.gz DNKAATYLRJATBI-UHFFFAOYSA-N -1 0 374.550 5.561 50 0 FKAARM Cc1c([O-])ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc12 ZINC000000754578 570454808 /nfs/dbraw/zinc/45/48/08/570454808.db2.gz RRYYPXXWOOUEMM-UHFFFAOYSA-N -1 0 370.710 5.272 50 0 FKAARM CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(C(C)(C)C)c1 ZINC000000754680 219318016 /nfs/dbraw/zinc/31/80/16/219318016.db2.gz DSVNJLOJOGHYJT-UHFFFAOYSA-N -1 0 353.462 5.232 50 0 FKAARM O=C([O-])c1ccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 ZINC000000754754 219318569 /nfs/dbraw/zinc/31/85/69/219318569.db2.gz YXUNGLGGMUMCOY-UHFFFAOYSA-N -1 0 364.348 5.271 50 0 FKAARM Cc1cc(C)nc([N-]c2nc3cc(Cl)ccc3c(-c3ccccc3)n2)n1 ZINC000000755334 570454847 /nfs/dbraw/zinc/45/48/47/570454847.db2.gz OJKZHSISTGCJEA-UHFFFAOYSA-N -1 0 361.836 5.101 50 0 FKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c(=O)o1 ZINC000000755712 571068873 /nfs/dbraw/zinc/06/88/73/571068873.db2.gz YSXDLANDMVXMIR-QGZVFWFLSA-N -1 0 369.467 5.073 50 0 FKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c(=O)o1 ZINC000000755713 571068802 /nfs/dbraw/zinc/06/88/02/571068802.db2.gz YSXDLANDMVXMIR-KRWDZBQOSA-N -1 0 369.467 5.073 50 0 FKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000000786534 570456277 /nfs/dbraw/zinc/45/62/77/570456277.db2.gz HIKWFAIWVBGZQX-UHFFFAOYSA-N -1 0 367.404 5.457 50 0 FKAARM O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)cc(Cl)c1[O-] ZINC000000813249 570458008 /nfs/dbraw/zinc/45/80/08/570458008.db2.gz LTAXAERGMAITMI-UHFFFAOYSA-N -1 0 351.016 5.258 50 0 FKAARM Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c1C ZINC000000820912 210275578 /nfs/dbraw/zinc/27/55/78/210275578.db2.gz XMEGHIMAFGUDGU-UHFFFAOYSA-N -1 0 361.397 5.046 50 0 FKAARM Cc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2-c2ccccc2)cc1 ZINC000000826965 206836183 /nfs/dbraw/zinc/83/61/83/206836183.db2.gz FOPCFDNZNVYFOX-UHFFFAOYSA-N -1 0 354.409 5.417 50 0 FKAARM O=C([O-])/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000000836617 219328969 /nfs/dbraw/zinc/32/89/69/219328969.db2.gz ZJSNNXVCGBDALG-ATVHPVEESA-N -1 0 369.214 5.334 50 0 FKAARM Cc1ccc2nc(Nc3ccc(C(=O)[O-])cc3)nc(-c3ccccc3)c2c1 ZINC000000850401 571093476 /nfs/dbraw/zinc/09/34/76/571093476.db2.gz HIBZKPHCRYJHCJ-UHFFFAOYSA-N -1 0 355.397 5.047 50 0 FKAARM Cc1ccc2nc(Nc3cccc(C(=O)[O-])c3)nc(-c3ccccc3)c2c1 ZINC000000850403 219330694 /nfs/dbraw/zinc/33/06/94/219330694.db2.gz BERSSRCVAXHRFO-UHFFFAOYSA-N -1 0 355.397 5.047 50 0 FKAARM CCc1sc(-c2cc3ccc([O-])cc3oc2=O)nc1-c1ccc(C)cc1 ZINC000000869184 219334525 /nfs/dbraw/zinc/33/45/25/219334525.db2.gz QRJVELDMZISQMF-UHFFFAOYSA-N -1 0 363.438 5.160 50 0 FKAARM O=C([O-])c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000000887822 132379140 /nfs/dbraw/zinc/37/91/40/132379140.db2.gz PZGIBTDJKKBQHE-UHFFFAOYSA-N -1 0 362.410 5.220 50 0 FKAARM CC(C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)o2)cc1 ZINC000000934713 210292234 /nfs/dbraw/zinc/29/22/34/210292234.db2.gz VFSZRIXSNXFONW-UHFFFAOYSA-N -1 0 357.409 5.983 50 0 FKAARM CC[C@@H](C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)o2)cc1 ZINC000000934714 206141332 /nfs/dbraw/zinc/14/13/32/206141332.db2.gz HUYAFORNPXEXGE-OAHLLOKOSA-N -1 0 371.436 6.374 50 0 FKAARM CC[C@H](C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)o2)cc1 ZINC000000934715 219342405 /nfs/dbraw/zinc/34/24/05/219342405.db2.gz HUYAFORNPXEXGE-HNNXBMFYSA-N -1 0 371.436 6.374 50 0 FKAARM Cc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)o2)cc1Cl ZINC000000934720 571130748 /nfs/dbraw/zinc/13/07/48/571130748.db2.gz NWDGFYMPSNPUKT-UHFFFAOYSA-N -1 0 363.800 5.822 50 0 FKAARM Cc1ccc2nc(-c3ccc(-c4ccc(C(C)C)cc4)o3)cc(C(=O)[O-])c2c1 ZINC000000934722 571130753 /nfs/dbraw/zinc/13/07/53/571130753.db2.gz OFDWTMQVMVYDSA-UHFFFAOYSA-N -1 0 371.436 6.292 50 0 FKAARM CCc1ccc2nc(-c3ccc(-c4ccccc4F)o3)cc(C(=O)[O-])c2c1 ZINC000000934742 210292066 /nfs/dbraw/zinc/29/20/66/210292066.db2.gz PEJFHWQZLYCTHH-UHFFFAOYSA-N -1 0 361.372 5.562 50 0 FKAARM Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CCC(=O)[O-] ZINC000000941040 219343069 /nfs/dbraw/zinc/34/30/69/219343069.db2.gz PTAQSYCAZMXLFA-UHFFFAOYSA-N -1 0 355.437 5.758 50 0 FKAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H]1c2ccccc2Oc2ccc(C)cc21 ZINC000000948670 206143626 /nfs/dbraw/zinc/14/36/26/206143626.db2.gz LXHOFSNFCGZTLP-PKTZIBPZSA-N -1 0 368.436 5.272 50 0 FKAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H]1c2ccccc2Oc2ccc(C)cc21 ZINC000000948671 219345852 /nfs/dbraw/zinc/34/58/52/219345852.db2.gz LXHOFSNFCGZTLP-DHIUTWEWSA-N -1 0 368.436 5.272 50 0 FKAARM O=C([O-])c1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 ZINC000000948692 570465600 /nfs/dbraw/zinc/46/56/00/570465600.db2.gz ZCDRYNJQXOYCFP-UHFFFAOYSA-N -1 0 365.241 5.559 50 0 FKAARM Cc1ccc(-c2nc3ccccc3c(Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000000949541 570465601 /nfs/dbraw/zinc/46/56/01/570465601.db2.gz OIXBITQAAAHTKL-UHFFFAOYSA-N -1 0 355.397 5.047 50 0 FKAARM Cc1ccc(-c2csc3ncnc(Nc4ccc(C(=O)[O-])cc4)c23)cc1 ZINC000000951864 209384319 /nfs/dbraw/zinc/38/43/19/209384319.db2.gz XJONKSWKTASLQP-UHFFFAOYSA-N -1 0 361.426 5.109 50 0 FKAARM Cc1ccc(-c2csc3ncnc(Nc4cccc(C(=O)[O-])c4)c23)cc1 ZINC000000951865 219345448 /nfs/dbraw/zinc/34/54/48/219345448.db2.gz JXCJXVPOZXENNA-UHFFFAOYSA-N -1 0 361.426 5.109 50 0 FKAARM Cc1nc2sc(-c3ccccc3)cc2c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000000955165 570466374 /nfs/dbraw/zinc/46/63/74/570466374.db2.gz PPUYHVBZDQRSNF-UHFFFAOYSA-N -1 0 361.426 5.109 50 0 FKAARM Cc1nc2sc(-c3ccccc3)cc2c(Nc2cccc(C(=O)[O-])c2)n1 ZINC000000955166 570466120 /nfs/dbraw/zinc/46/61/20/570466120.db2.gz GFAPYYZPANAZNT-UHFFFAOYSA-N -1 0 361.426 5.109 50 0 FKAARM CC(C)c1ccc(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)cc1 ZINC000000955925 219346757 /nfs/dbraw/zinc/34/67/57/219346757.db2.gz RPVIFMJFGJAMNL-UHFFFAOYSA-N -1 0 354.431 5.081 50 0 FKAARM Cc1sc2ncnc(Nc3ccc(C(=O)[O-])cc3)c2c1-c1ccccc1 ZINC000000957812 210295523 /nfs/dbraw/zinc/29/55/23/210295523.db2.gz HWZFDXMSOARZOR-UHFFFAOYSA-N -1 0 361.426 5.109 50 0 FKAARM Oc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000000976124 571277516 /nfs/dbraw/zinc/27/75/16/571277516.db2.gz YUHNOZKSLBIWBM-UHFFFAOYSA-N -1 0 353.230 5.041 50 0 FKAARM Cc1sc(-c2cc3ccc([O-])cc3oc2=O)nc1-c1ccc(Cl)cc1 ZINC000000976505 219348951 /nfs/dbraw/zinc/34/89/51/219348951.db2.gz DTWKUOMKRNQTNT-UHFFFAOYSA-N -1 0 369.829 5.251 50 0 FKAARM O=Cc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)s2)s1 ZINC000000977793 571141305 /nfs/dbraw/zinc/14/13/05/571141305.db2.gz RXYSVUGMNAQOBC-UHFFFAOYSA-N -1 0 365.435 5.203 50 0 FKAARM Cc1ccc(-c2nc(Nc3ccccc3Cl)sc2CC(=O)[O-])cc1 ZINC000000979570 570467494 /nfs/dbraw/zinc/46/74/94/570467494.db2.gz XBAMVCJKHUNIBU-UHFFFAOYSA-N -1 0 358.850 5.143 50 0 FKAARM Cc1cc(C)nc([N-]c2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 ZINC000000983748 571141460 /nfs/dbraw/zinc/14/14/60/571141460.db2.gz GDBAYEYXRHSQND-UHFFFAOYSA-N -1 0 358.470 5.628 50 0 FKAARM Cc1cc(/C=C(/C(=O)[O-])c2cc(Cl)sc2Br)cs1 ZINC000000984447 570467874 /nfs/dbraw/zinc/46/78/74/570467874.db2.gz PRBFJJQGUBRBNQ-YCRREMRBSA-N -1 0 363.685 5.159 50 0 FKAARM O=C([O-])c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccccc21 ZINC000000991236 209483611 /nfs/dbraw/zinc/48/36/11/209483611.db2.gz XHJLZUNNYRRNSV-UHFFFAOYSA-N -1 0 355.393 5.179 50 0 FKAARM Cc1nc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)sc1C(=O)[O-] ZINC000001035094 219355812 /nfs/dbraw/zinc/35/58/12/219355812.db2.gz YVEVVQABYAJFLO-UHFFFAOYSA-N -1 0 369.389 5.564 50 0 FKAARM Nc1sc(-c2ccccc2)cc1-c1n[n-]c(=S)n1-c1ccc(F)cc1 ZINC000001036210 210305312 /nfs/dbraw/zinc/30/53/12/210305312.db2.gz XXOTZIAHKUIJDV-UHFFFAOYSA-N -1 0 368.462 5.047 50 0 FKAARM O=C([O-])c1cccc2cccc(Sc3cccc4cccc(CO)c43)c21 ZINC000001039003 210306256 /nfs/dbraw/zinc/30/62/56/210306256.db2.gz MKRLUVBXVXIKTG-UHFFFAOYSA-N -1 0 360.434 5.335 50 0 FKAARM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000001040523 570474471 /nfs/dbraw/zinc/47/44/71/570474471.db2.gz HPJKFUQBFRYZLO-UHFFFAOYSA-N -1 0 372.298 5.317 50 0 FKAARM CC(C)c1cccc(C(C)C)c1OC([O-])=NC(=O)c1c(F)cccc1F ZINC000001040797 570474870 /nfs/dbraw/zinc/47/48/70/570474870.db2.gz MXXMNHGLXIPSFB-UHFFFAOYSA-N -1 0 361.388 5.140 50 0 FKAARM Cc1oc2ccccc2c1Cc1n[n-]c(=S)n1-c1ccc(C)c(Cl)c1 ZINC000001045998 570476427 /nfs/dbraw/zinc/47/64/27/570476427.db2.gz XMTKXLJTJRDZSP-UHFFFAOYSA-N -1 0 369.877 5.537 50 0 FKAARM O=C([O-])c1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000001053762 209485547 /nfs/dbraw/zinc/48/55/47/209485547.db2.gz QWEGXFJZUDIRRS-UHFFFAOYSA-N -1 0 366.225 5.159 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)s2)nc2ccc(Br)cc21 ZINC000001083493 219366733 /nfs/dbraw/zinc/36/67/33/219366733.db2.gz UUSNZCPBAVADHD-UHFFFAOYSA-N -1 0 368.639 5.077 50 0 FKAARM O=C([O-])c1ccc(Cl)c(-c2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000001110066 210317588 /nfs/dbraw/zinc/31/75/88/210317588.db2.gz WDOOFZXJOCFRCE-UHFFFAOYSA-N -1 0 355.802 5.575 50 0 FKAARM Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)[O-] ZINC000001114591 206860978 /nfs/dbraw/zinc/86/09/78/206860978.db2.gz JRJOPURIBFBFLL-UHFFFAOYSA-N -1 0 369.420 5.487 50 0 FKAARM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001116266 219372288 /nfs/dbraw/zinc/37/22/88/219372288.db2.gz ZHSZYUCOVBKQAL-UHFFFAOYSA-N -1 0 358.290 5.226 50 0 FKAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000001137648 203986437 /nfs/dbraw/zinc/98/64/37/203986437.db2.gz BPOAUEXGDJJVAJ-UHFFFAOYSA-N -1 0 367.788 5.083 50 0 FKAARM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1Cl ZINC000001172238 210328529 /nfs/dbraw/zinc/32/85/29/210328529.db2.gz RUOABQFZQLOWDZ-UHFFFAOYSA-N -1 0 364.681 5.064 50 0 FKAARM CC(C)c1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)[O-])cc1 ZINC000001177975 571069756 /nfs/dbraw/zinc/06/97/56/571069756.db2.gz BGVDFQNSSFHQGE-UHFFFAOYSA-N -1 0 370.449 5.443 50 0 FKAARM Cc1cc(-c2ccccc2)nc([N-]c2nc(C)c3cc(C)c(C)cc3n2)n1 ZINC000001189057 570490674 /nfs/dbraw/zinc/49/06/74/570490674.db2.gz MQMMRYQWZWEAAW-UHFFFAOYSA-N -1 0 355.445 5.064 50 0 FKAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000001190064 570490771 /nfs/dbraw/zinc/49/07/71/570490771.db2.gz MTNAVQZPGXQKGS-FOCLMDBBSA-N -1 0 366.420 5.304 50 0 FKAARM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccccc1Cl ZINC000001193726 219387580 /nfs/dbraw/zinc/38/75/80/219387580.db2.gz DXDMJLMXJROEDO-UHFFFAOYSA-N -1 0 357.818 5.019 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc21 ZINC000001230417 219391733 /nfs/dbraw/zinc/39/17/33/219391733.db2.gz DLRGQCSCQAFQBF-UHFFFAOYSA-N -1 0 362.610 5.016 50 0 FKAARM O=C(Nc1c(Cl)c(Cl)c([O-])c(Cl)c1Cl)c1ccccc1 ZINC000001232073 570495653 /nfs/dbraw/zinc/49/56/53/570495653.db2.gz OKEFXBZSBMNWPE-UHFFFAOYSA-N -1 0 351.016 5.258 50 0 FKAARM Cc1ccc(-c2nc3ccc(C(=O)[O-])cc3nc2-c2ccc(C)cc2)cc1 ZINC000001233793 210338840 /nfs/dbraw/zinc/33/88/40/210338840.db2.gz BPQHAKKJCUVPDN-UHFFFAOYSA-N -1 0 354.409 5.279 50 0 FKAARM O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000001250296 571044781 /nfs/dbraw/zinc/04/47/81/571044781.db2.gz FUPVNCQJXDYZTF-UHFFFAOYSA-N -1 0 374.223 5.744 50 0 FKAARM [O-]c1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2cccc(F)c2)C1 ZINC000001294013 219394243 /nfs/dbraw/zinc/39/42/43/219394243.db2.gz QBPLTGGRWXBFQE-UHFFFAOYSA-N -1 0 364.807 5.830 50 0 FKAARM Cc1cccc(C2=Nc3ccccc3N=C(c3cc(Cl)ccc3[O-])C2)c1 ZINC000001297183 571048224 /nfs/dbraw/zinc/04/82/24/571048224.db2.gz JGYFHFOQHOTXSP-UHFFFAOYSA-N -1 0 360.844 5.999 50 0 FKAARM [O-]c1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2cccs2)C1 ZINC000001297651 571048367 /nfs/dbraw/zinc/04/83/67/571048367.db2.gz KWPRXHLHSPECML-UHFFFAOYSA-N -1 0 352.846 5.752 50 0 FKAARM O=C([O-])c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000001385509 570498173 /nfs/dbraw/zinc/49/81/73/570498173.db2.gz SJNQUKBNTOPTMF-UHFFFAOYSA-N -1 0 350.226 5.482 50 0 FKAARM O=C([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000001397230 204004715 /nfs/dbraw/zinc/00/47/15/204004715.db2.gz PHLNMNRVMBDTSX-UHFFFAOYSA-N -1 0 350.226 5.482 50 0 FKAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000001397587 571060247 /nfs/dbraw/zinc/06/02/47/571060247.db2.gz RVDBAESUSIZMQG-GFCCVEGCSA-N -1 0 357.620 5.088 50 0 FKAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1Cl ZINC000001397588 204004513 /nfs/dbraw/zinc/00/45/13/204004513.db2.gz RVDBAESUSIZMQG-LBPRGKRZSA-N -1 0 357.620 5.088 50 0 FKAARM FC(F)(F)c1cc(-c2cccs2)nc([N-]c2nc3ccccc3o2)n1 ZINC000001424401 570499647 /nfs/dbraw/zinc/49/96/47/570499647.db2.gz AYULLHRYBLVTJR-UHFFFAOYSA-N -1 0 362.336 5.109 50 0 FKAARM Cc1c(C(=O)[O-])c2cc(O)c(Br)cc2n1C1CCCCCC1 ZINC000001427065 571074215 /nfs/dbraw/zinc/07/42/15/571074215.db2.gz PBTOTHLYEDACBT-UHFFFAOYSA-N -1 0 366.255 5.011 50 0 FKAARM Cc1ccc2nc(-c3ccc(-c4ccccc4Cl)o3)cc(C(=O)[O-])c2c1 ZINC000001437543 204007451 /nfs/dbraw/zinc/00/74/51/204007451.db2.gz JGIIWEWXVMPJMT-UHFFFAOYSA-N -1 0 363.800 5.822 50 0 FKAARM Cc1ccc2nc(-c3ccc(-c4cccc(Cl)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001454206 571114210 /nfs/dbraw/zinc/11/42/10/571114210.db2.gz CYBTZKJJWLLFQR-UHFFFAOYSA-N -1 0 363.800 5.822 50 0 FKAARM O=C([O-])c1ccccc1C(CC(=O)c1ccccc1)CC(=O)c1ccccc1 ZINC000001460564 571115077 /nfs/dbraw/zinc/11/50/77/571115077.db2.gz GNDXWNDFULUNTA-UHFFFAOYSA-N -1 0 372.420 5.014 50 0 FKAARM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)[O-] ZINC000001650377 204016164 /nfs/dbraw/zinc/01/61/64/204016164.db2.gz WUILNKCFCLNXOK-CFBAGHHKSA-N -1 0 358.547 6.896 50 0 in-man FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12 ZINC000001671669 210365844 /nfs/dbraw/zinc/36/58/44/210365844.db2.gz QUCNYTPXEGJTPN-UHFFFAOYSA-N -1 0 359.812 5.920 50 0 FKAARM C[C@@H](c1ccccc1C(=O)[O-])c1ccc(Br)c2ccccc21 ZINC000001697547 571311560 /nfs/dbraw/zinc/31/15/60/571311560.db2.gz GFWOBSUDGNGWGC-LBPRGKRZSA-N -1 0 355.231 5.452 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000001703590 206228253 /nfs/dbraw/zinc/22/82/53/206228253.db2.gz GGOCWGTWYKGEGD-UHFFFAOYSA-N -1 0 352.604 5.560 50 0 FKAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)c1ccccc1 ZINC000001712262 571279518 /nfs/dbraw/zinc/27/95/18/571279518.db2.gz IPULFRPFZGMSED-UHFFFAOYSA-N -1 0 364.011 5.229 50 0 FKAARM CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000001761800 210368916 /nfs/dbraw/zinc/36/89/16/210368916.db2.gz OGNYKSZIFQUMPV-UHFFFAOYSA-N -1 0 370.489 5.556 50 0 FKAARM CC(C)Oc1cccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000001765358 571168283 /nfs/dbraw/zinc/16/82/83/571168283.db2.gz QSEPBBQVDLAYGZ-UHFFFAOYSA-N -1 0 372.424 5.582 50 0 FKAARM CCCCc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)o2)cc1 ZINC000001789974 206149417 /nfs/dbraw/zinc/14/94/17/206149417.db2.gz JZOHDMAORHFDPG-UHFFFAOYSA-N -1 0 371.436 6.203 50 0 FKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(F)c3)o2)nc2ccc(F)cc21 ZINC000001790000 571170872 /nfs/dbraw/zinc/17/08/72/571170872.db2.gz HYVAFVSDZZBWGY-UHFFFAOYSA-N -1 0 351.308 5.138 50 0 FKAARM O=C([O-])c1cc(-c2ccc(-c3cccc(F)c3)o2)nc2ccc(Cl)cc21 ZINC000001790005 204020116 /nfs/dbraw/zinc/02/01/16/204020116.db2.gz OIHJFUOFMRTLEG-UHFFFAOYSA-N -1 0 367.763 5.653 50 0 FKAARM CCc1ccc2nc(-c3ccc(-c4cccc(F)c4)o3)cc(C(=O)[O-])c2c1 ZINC000001790036 571193547 /nfs/dbraw/zinc/19/35/47/571193547.db2.gz NSHHZAJZMKXPQR-UHFFFAOYSA-N -1 0 361.372 5.562 50 0 FKAARM O=C([O-])c1cc(-c2ccc(/C=C/c3ccccc3)cc2)nc2ccccc21 ZINC000001796618 210372036 /nfs/dbraw/zinc/37/20/36/210372036.db2.gz GVBJKUTXUUVCHY-ZHACJKMWSA-N -1 0 351.405 5.770 50 0 FKAARM O=C([O-])c1cc(-c2ccc(/C=C/c3ccccc3)cc2)nc2ccc(F)cc21 ZINC000001796621 210371542 /nfs/dbraw/zinc/37/15/42/210371542.db2.gz OAFDKANKUYMJBE-VOTSOKGWSA-N -1 0 369.395 5.910 50 0 FKAARM O=C([O-])c1c(NC(=O)/C=C/c2ccco2)scc1-c1ccc(Cl)cc1 ZINC000001801635 206151445 /nfs/dbraw/zinc/15/14/45/206151445.db2.gz FHGGCCOPWFGFCC-BQYQJAHWSA-N -1 0 373.817 5.012 50 0 FKAARM CC(C)Oc1ccccc1Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000001828187 571197447 /nfs/dbraw/zinc/19/74/47/571197447.db2.gz HHSCQALDELHQOB-UHFFFAOYSA-N -1 0 372.424 5.582 50 0 FKAARM Cc1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c(Cl)c1 ZINC000001830389 204020983 /nfs/dbraw/zinc/02/09/83/204020983.db2.gz FVQTXOCYXYZNJM-UHFFFAOYSA-N -1 0 362.816 5.757 50 0 FKAARM Cc1ccc(C(C)C)cc1Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000001870241 210373803 /nfs/dbraw/zinc/37/38/03/210373803.db2.gz IOBMQFUJFHNKGW-UHFFFAOYSA-N -1 0 370.452 6.227 50 0 FKAARM Cc1cc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)ccc1Cl ZINC000001874087 210373227 /nfs/dbraw/zinc/37/32/27/210373227.db2.gz NQUJPWPOKPTJOT-UHFFFAOYSA-N -1 0 362.816 5.757 50 0 FKAARM CC(C)Oc1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000001875578 571198663 /nfs/dbraw/zinc/19/86/63/571198663.db2.gz XLLPSKKWGOIHEW-UHFFFAOYSA-N -1 0 372.424 5.582 50 0 FKAARM CC(C)c1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000001877012 210373864 /nfs/dbraw/zinc/37/38/64/210373864.db2.gz ZFSLLLDXBMJWNK-UHFFFAOYSA-N -1 0 356.425 5.918 50 0 FKAARM Cc1ccc(C(C)C)c(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000001877368 204020776 /nfs/dbraw/zinc/02/07/76/204020776.db2.gz RRGRLLFRGQISJA-UHFFFAOYSA-N -1 0 370.452 6.227 50 0 FKAARM Cc1ccc(Cl)c(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000001893983 204022336 /nfs/dbraw/zinc/02/23/36/204022336.db2.gz QOXNKZSVKMFMMF-UHFFFAOYSA-N -1 0 362.816 5.757 50 0 FKAARM CC(C)(C)c1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000001899469 210374732 /nfs/dbraw/zinc/37/47/32/210374732.db2.gz FURGCGIXXOSXEW-UHFFFAOYSA-N -1 0 370.452 6.092 50 0 FKAARM CCCOc1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000001899668 571199256 /nfs/dbraw/zinc/19/92/56/571199256.db2.gz UFVLGRNWQHMMQK-UHFFFAOYSA-N -1 0 372.424 5.584 50 0 FKAARM CC(C)(C)c1cc(Cl)c([O-])c(/N=C/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000001924012 570611803 /nfs/dbraw/zinc/61/18/03/570611803.db2.gz MSPHNMMVRHSYIA-UEKAYLGTSA-N -1 0 358.825 5.667 50 0 FKAARM O=P1([O-])[C@H](c2ccccc2)OC(c2ccccc2)O[C@H]1c1ccccc1 ZINC000002019615 204024084 /nfs/dbraw/zinc/02/40/84/204024084.db2.gz VXTLIEBHUAJBHQ-NHCUHLMSSA-N -1 0 366.353 5.400 50 0 FKAARM O=P1([O-])[C@@H](c2ccccc2)OC(c2ccccc2)O[C@@H]1c1ccccc1 ZINC000002019616 204024098 /nfs/dbraw/zinc/02/40/98/204024098.db2.gz VXTLIEBHUAJBHQ-SFTDATJTSA-N -1 0 366.353 5.400 50 0 FKAARM CC(C)(C)c1cc(OC([O-])=NC(=O)c2ccccc2)cc(C(C)(C)C)c1 ZINC000002057881 210377746 /nfs/dbraw/zinc/37/77/46/210377746.db2.gz OZJQTYZOHYXKGT-UHFFFAOYSA-N -1 0 353.462 5.210 50 0 FKAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccc(Cl)c(Cl)c3Cl)nc12 ZINC000002111001 210380534 /nfs/dbraw/zinc/38/05/34/210380534.db2.gz MYWQWLCGSMCYDH-UHFFFAOYSA-N -1 0 366.631 5.869 50 0 FKAARM Cc1ccc2nc(-c3ccc(C4CCCCC4)cc3)c(C)c(C(=O)[O-])c2c1 ZINC000002111618 204026421 /nfs/dbraw/zinc/02/64/21/204026421.db2.gz WDJLFQKYSFUOAD-UHFFFAOYSA-N -1 0 359.469 6.265 50 0 FKAARM CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(=S)[nH]1 ZINC000002141704 570515264 /nfs/dbraw/zinc/51/52/64/570515264.db2.gz QHQLFKCLZGFDLI-UHFFFAOYSA-N -1 0 351.547 5.330 50 0 FKAARM Cc1cc2c(cc1C)CSC(c1cc(Cl)cc(Cl)c1[O-])SC2 ZINC000002160514 570515687 /nfs/dbraw/zinc/51/56/87/570515687.db2.gz OXPZUFNAACKDRS-UHFFFAOYSA-N -1 0 371.354 6.495 50 0 FKAARM O=C([O-])CCCS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002193144 570516616 /nfs/dbraw/zinc/51/66/16/570516616.db2.gz IINWDCCKKXRSHV-KRWDZBQOSA-N -1 0 364.919 5.686 50 0 FKAARM O=C([O-])CCCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002193145 570516539 /nfs/dbraw/zinc/51/65/39/570516539.db2.gz IINWDCCKKXRSHV-QGZVFWFLSA-N -1 0 364.919 5.686 50 0 FKAARM [O-]c1ccccc1-c1nc2ccccc2c(N2CCCc3ccccc32)n1 ZINC000002204550 132382670 /nfs/dbraw/zinc/38/26/70/132382670.db2.gz FVZYDLLTHKPVMM-UHFFFAOYSA-N -1 0 353.425 5.087 50 0 FKAARM [O-]c1ccccc1-c1nc(SCc2ccccc2)nc(-c2ccccc2)n1 ZINC000002211022 204029463 /nfs/dbraw/zinc/02/94/63/204029463.db2.gz VOUIIFDRWIEBBE-UHFFFAOYSA-N -1 0 371.465 5.204 50 0 FKAARM CCOc1ccc(Nc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000002221076 571289976 /nfs/dbraw/zinc/28/99/76/571289976.db2.gz WPMSOVJXQWSWGB-UHFFFAOYSA-N -1 0 357.413 5.145 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c1[O-] ZINC000002237168 571293255 /nfs/dbraw/zinc/29/32/55/571293255.db2.gz LOBHMUPVXRJHIU-UHFFFAOYSA-N -1 0 357.413 5.063 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(N[C@@H](C)c3ccccc3)n2)c1[O-] ZINC000002240242 210387144 /nfs/dbraw/zinc/38/71/44/210387144.db2.gz ODBFUDADJUDDMB-HNNXBMFYSA-N -1 0 371.440 5.184 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(N[C@H](C)c3ccccc3)n2)c1[O-] ZINC000002240243 210386665 /nfs/dbraw/zinc/38/66/65/210386665.db2.gz ODBFUDADJUDDMB-OAHLLOKOSA-N -1 0 371.440 5.184 50 0 FKAARM O=C([O-])CCCCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002242951 204030594 /nfs/dbraw/zinc/03/05/94/204030594.db2.gz DRZIJDGACZQXLN-UHFFFAOYSA-N -1 0 370.289 5.332 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Nc3ccc(C)c(C)c3)n2)c1[O-] ZINC000002252783 204029743 /nfs/dbraw/zinc/02/97/43/204029743.db2.gz FXLMGZYDOZSAPR-UHFFFAOYSA-N -1 0 371.440 5.371 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Nc3cccc(C)c3C)n2)c1[O-] ZINC000002256865 571294131 /nfs/dbraw/zinc/29/41/31/571294131.db2.gz WMLWMFJLVYDKKU-UHFFFAOYSA-N -1 0 371.440 5.371 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(N[C@@H]3CCCC[C@@H]3C)n2)c1[O-] ZINC000002263886 571294016 /nfs/dbraw/zinc/29/40/16/571294016.db2.gz VSMOWZPIDRUSGX-WMLDXEAASA-N -1 0 363.461 5.002 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(N[C@@H]3CCCC[C@H]3C)n2)c1[O-] ZINC000002263887 204031769 /nfs/dbraw/zinc/03/17/69/204031769.db2.gz VSMOWZPIDRUSGX-RHSMWYFYSA-N -1 0 363.461 5.002 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(N[C@H]3CCCC[C@@H]3C)n2)c1[O-] ZINC000002263888 204031836 /nfs/dbraw/zinc/03/18/36/204031836.db2.gz VSMOWZPIDRUSGX-YOEHRIQHSA-N -1 0 363.461 5.002 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(N[C@H]3CCCC[C@H]3C)n2)c1[O-] ZINC000002263889 571293996 /nfs/dbraw/zinc/29/39/96/571293996.db2.gz VSMOWZPIDRUSGX-PBHICJAKSA-N -1 0 363.461 5.002 50 0 FKAARM Cc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)c2C(=O)[O-])cc1 ZINC000002276230 571294677 /nfs/dbraw/zinc/29/46/77/571294677.db2.gz DYPJZOSLNGEDDS-UHFFFAOYSA-N -1 0 371.845 5.327 50 0 FKAARM COc1cc2c(C(=O)[O-])c(C)n(-c3ccccc3Cl)c2c2ccccc12 ZINC000002283795 206908014 /nfs/dbraw/zinc/90/80/14/206908014.db2.gz SAMGCWDIDHCYRM-UHFFFAOYSA-N -1 0 365.816 5.452 50 0 FKAARM COc1cc2c(C(=O)[O-])c(C)n(-c3ccc(C)cc3C)c2c2ccccc12 ZINC000002286088 210389219 /nfs/dbraw/zinc/38/92/19/210389219.db2.gz VOYVQWAOSSIXJF-UHFFFAOYSA-N -1 0 359.425 5.416 50 0 FKAARM CC(C)c1cccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000002338281 571318171 /nfs/dbraw/zinc/31/81/71/571318171.db2.gz GVQDYPVKBYPEPD-UHFFFAOYSA-N -1 0 356.425 5.918 50 0 FKAARM CCCCC[C@H]1CCC[C@@H](c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000002352007 209396128 /nfs/dbraw/zinc/39/61/28/209396128.db2.gz IRWVQKFPMGWMKU-VQTJNVASSA-N -1 0 364.529 7.296 50 0 FKAARM CCCCC[C@@H]1CCC[C@@H](c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000002352008 209395844 /nfs/dbraw/zinc/39/58/44/209395844.db2.gz IRWVQKFPMGWMKU-WOJBJXKFSA-N -1 0 364.529 7.296 50 0 FKAARM CCCCC[C@H]1CCC[C@H](c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000002352009 219439521 /nfs/dbraw/zinc/43/95/21/219439521.db2.gz IRWVQKFPMGWMKU-PMACEKPBSA-N -1 0 364.529 7.296 50 0 FKAARM CCCCC[C@@H]1CCC[C@H](c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000002352010 571318602 /nfs/dbraw/zinc/31/86/02/571318602.db2.gz IRWVQKFPMGWMKU-UXHICEINSA-N -1 0 364.529 7.296 50 0 FKAARM O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)cc1 ZINC000002352936 571318960 /nfs/dbraw/zinc/31/89/60/571318960.db2.gz WPKWBGXRAVVURA-UHFFFAOYSA-N -1 0 374.827 5.762 50 0 FKAARM Cc1cc(Cl)ccc1Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000002357892 210393972 /nfs/dbraw/zinc/39/39/72/210393972.db2.gz IYESUYNRYYTSOM-UHFFFAOYSA-N -1 0 362.816 5.757 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Sc3ccc(C)cc3)n2)c1[O-] ZINC000002363848 571319663 /nfs/dbraw/zinc/31/96/63/571319663.db2.gz GSNLYLKSUZHLBQ-UHFFFAOYSA-N -1 0 374.465 5.471 50 0 FKAARM O=C([O-])c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000002382446 570520406 /nfs/dbraw/zinc/52/04/06/570520406.db2.gz WJKKJJXROCHBMA-UHFFFAOYSA-N -1 0 350.214 5.215 50 0 FKAARM Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cccc1C(=O)[O-] ZINC000002386060 570520456 /nfs/dbraw/zinc/52/04/56/570520456.db2.gz PZBXPHGPGVUOMO-UHFFFAOYSA-N -1 0 373.408 5.054 50 0 FKAARM Cc1ccc(C(=O)[O-])cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386127 570520326 /nfs/dbraw/zinc/52/03/26/570520326.db2.gz MNLLXICLNDZTOF-UHFFFAOYSA-N -1 0 373.408 5.054 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(C)cc3)n2)c1[O-] ZINC000002404898 571321504 /nfs/dbraw/zinc/32/15/04/571321504.db2.gz MIPONSWSYUTNPI-UHFFFAOYSA-N -1 0 358.397 5.112 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(C)c(C)c3)n2)c1[O-] ZINC000002408822 571321476 /nfs/dbraw/zinc/32/14/76/571321476.db2.gz ZUBDQMZBKRHGJP-UHFFFAOYSA-N -1 0 372.424 5.420 50 0 FKAARM Cc1cc(C)c(C)c(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000002415310 204038831 /nfs/dbraw/zinc/03/88/31/204038831.db2.gz VHBUQZSJXVXXDN-UHFFFAOYSA-N -1 0 356.425 5.720 50 0 FKAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccc3ccccc3c2)n1 ZINC000002418735 571321715 /nfs/dbraw/zinc/32/17/15/571321715.db2.gz OZNXYXJPDFLARF-UHFFFAOYSA-N -1 0 364.404 5.948 50 0 FKAARM CCc1cccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)c1 ZINC000002438685 571322310 /nfs/dbraw/zinc/32/23/10/571322310.db2.gz YWJWEIQRRHIUKG-UHFFFAOYSA-N -1 0 372.424 5.366 50 0 FKAARM CCCCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000002493838 204042973 /nfs/dbraw/zinc/04/29/73/204042973.db2.gz RNVXVMNSTMVIPF-UHFFFAOYSA-N -1 0 358.290 5.137 50 0 FKAARM CC(C)(C)c1cc(C(=O)Nc2ccccc2C(=O)[O-])cc(C(C)(C)C)c1 ZINC000002496524 204042113 /nfs/dbraw/zinc/04/21/13/204042113.db2.gz FFTZKLPZEHXADB-UHFFFAOYSA-N -1 0 353.462 5.232 50 0 FKAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C1(c2ccccc2)CCCC1 ZINC000002512728 571277888 /nfs/dbraw/zinc/27/78/88/571277888.db2.gz LSIHWJSLJNLCJB-UHFFFAOYSA-N -1 0 350.245 5.150 50 0 FKAARM Cc1cc(C)c2nc(-c3ccc(-c4ccccc4)cc3)cc(C(=O)[O-])c2c1 ZINC000002525920 210405329 /nfs/dbraw/zinc/40/53/29/210405329.db2.gz NXFXWWSARDMDGJ-UHFFFAOYSA-N -1 0 353.421 5.884 50 0 FKAARM O=C([O-])c1cc(-c2cccc(Br)c2)nc2c(Cl)cccc12 ZINC000002526025 206919834 /nfs/dbraw/zinc/91/98/34/206919834.db2.gz SMECLDDYEFWFFC-UHFFFAOYSA-N -1 0 362.610 5.016 50 0 FKAARM CCCOc1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)cc1 ZINC000002526039 570524011 /nfs/dbraw/zinc/52/40/11/570524011.db2.gz XKMFXUYJOFOSEZ-UHFFFAOYSA-N -1 0 355.821 5.351 50 0 FKAARM CCCOc1cccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)c1 ZINC000002526041 219448482 /nfs/dbraw/zinc/44/84/82/219448482.db2.gz ONSZRARBCBDEBU-UHFFFAOYSA-N -1 0 355.821 5.351 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccc(OC(C)C)cc3)nc12 ZINC000002526043 219448964 /nfs/dbraw/zinc/44/89/64/219448964.db2.gz LIYZBRINYMXEMK-UHFFFAOYSA-N -1 0 355.821 5.349 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3cccc(OC(C)C)c3)nc12 ZINC000002526045 204043584 /nfs/dbraw/zinc/04/35/84/204043584.db2.gz ZVUUXTXIYWSYPR-UHFFFAOYSA-N -1 0 355.821 5.349 50 0 FKAARM CCCCOc1ccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)cc1 ZINC000002526046 570524162 /nfs/dbraw/zinc/52/41/62/570524162.db2.gz VALGRPPRSFXQFV-UHFFFAOYSA-N -1 0 355.821 5.432 50 0 FKAARM CCCCOc1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)cc1 ZINC000002526047 206920561 /nfs/dbraw/zinc/92/05/61/206920561.db2.gz XWHBFFHZDIIBEL-UHFFFAOYSA-N -1 0 369.848 5.741 50 0 FKAARM CC(C)COc1ccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)cc1 ZINC000002526048 204043960 /nfs/dbraw/zinc/04/39/60/204043960.db2.gz XHWUFAQWILHRAZ-UHFFFAOYSA-N -1 0 355.821 5.288 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccc(OCC(C)C)cc3)nc12 ZINC000002526049 219448390 /nfs/dbraw/zinc/44/83/90/219448390.db2.gz ZDRBCQVLZXVNNI-UHFFFAOYSA-N -1 0 369.848 5.597 50 0 FKAARM CCCCOc1cccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)c1 ZINC000002526050 204043466 /nfs/dbraw/zinc/04/34/66/204043466.db2.gz MHOONTWTQFNHIW-UHFFFAOYSA-N -1 0 355.821 5.432 50 0 FKAARM CCCCOc1cccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)c1 ZINC000002526051 204043966 /nfs/dbraw/zinc/04/39/66/204043966.db2.gz RAHHPWFPFLEJSX-UHFFFAOYSA-N -1 0 369.848 5.741 50 0 FKAARM CC(C)COc1cccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)c1 ZINC000002526052 570523975 /nfs/dbraw/zinc/52/39/75/570523975.db2.gz WFNOKPVMROLMPQ-UHFFFAOYSA-N -1 0 355.821 5.288 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3cccc(OCC(C)C)c3)nc12 ZINC000002526053 204044255 /nfs/dbraw/zinc/04/42/55/204044255.db2.gz RMXDIEJWLCTIFI-UHFFFAOYSA-N -1 0 369.848 5.597 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccc(C(C)(C)C)cc3)nc12 ZINC000002526061 206920089 /nfs/dbraw/zinc/92/00/89/206920089.db2.gz HUBDTESIVRBGJC-UHFFFAOYSA-N -1 0 353.849 5.859 50 0 FKAARM CC[C@@H](C)c1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)cc1 ZINC000002526063 204043886 /nfs/dbraw/zinc/04/38/86/204043886.db2.gz LIPSTZJOPWNOMD-GFCCVEGCSA-N -1 0 353.849 6.075 50 0 FKAARM CCCCc1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)cc1 ZINC000002526065 219448456 /nfs/dbraw/zinc/44/84/56/219448456.db2.gz UGMULXQZHBVPNT-UHFFFAOYSA-N -1 0 353.849 5.904 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccc(CC(C)C)cc3)nc12 ZINC000002526067 206920299 /nfs/dbraw/zinc/92/02/99/206920299.db2.gz WNTFRNGODURECC-UHFFFAOYSA-N -1 0 353.849 5.760 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cccc12 ZINC000002526077 204043485 /nfs/dbraw/zinc/04/34/85/204043485.db2.gz ODHWHMYOZJYLFZ-UHFFFAOYSA-N -1 0 352.604 5.560 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccc(Cl)c(Cl)c3)nc12 ZINC000002526078 570523949 /nfs/dbraw/zinc/52/39/49/570523949.db2.gz SXRHPHIODITXKP-UHFFFAOYSA-N -1 0 366.631 5.869 50 0 FKAARM O=C([O-])c1cc(-c2cc(Cl)ccc2Cl)nc2c(Cl)cccc12 ZINC000002526079 204044443 /nfs/dbraw/zinc/04/44/43/204044443.db2.gz VFLRDGBLIXVCAW-UHFFFAOYSA-N -1 0 352.604 5.560 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3cc(Cl)ccc3Cl)nc12 ZINC000002526080 219448171 /nfs/dbraw/zinc/44/81/71/219448171.db2.gz IMAWAZYPLZKRDE-UHFFFAOYSA-N -1 0 366.631 5.869 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2c(Cl)cccc12 ZINC000002526081 570524082 /nfs/dbraw/zinc/52/40/82/570524082.db2.gz SEKWXYYUEZWSOL-UHFFFAOYSA-N -1 0 352.604 5.560 50 0 FKAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccc(Cl)cc3Cl)nc12 ZINC000002526082 204044382 /nfs/dbraw/zinc/04/43/82/204044382.db2.gz AFRRVKFSTWXOKR-UHFFFAOYSA-N -1 0 366.631 5.869 50 0 FKAARM Cc1c2cc(F)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000002526554 206920711 /nfs/dbraw/zinc/92/07/11/206920711.db2.gz JLPYLHLUHJOPNL-UHFFFAOYSA-N -1 0 373.855 5.444 50 0 in-vivo FKAARM CCCCCCOc1ccc(C(=O)[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000002546389 204044289 /nfs/dbraw/zinc/04/42/89/204044289.db2.gz DNBKCVREKAPFQK-FQEVSTJZSA-N -1 0 354.446 5.087 50 0 FKAARM CC(C)Cc1ccc(COc2ccc([C@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000002546424 570524300 /nfs/dbraw/zinc/52/43/00/570524300.db2.gz ZFPPRHFYJIYXCM-OAHLLOKOSA-N -1 0 360.881 5.696 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2c(Cl)cccc12 ZINC000002549350 570524410 /nfs/dbraw/zinc/52/44/10/570524410.db2.gz QPFWTXKBKGTIOT-UHFFFAOYSA-N -1 0 362.610 5.016 50 0 FKAARM O=c1c(-c2ccccc2)c([O-])c(Cl)c(-c2ccccc2)n1-c1ccccc1 ZINC000002557666 570524693 /nfs/dbraw/zinc/52/46/93/570524693.db2.gz NRAIPRSFZBQYKG-UHFFFAOYSA-N -1 0 373.839 5.531 50 0 FKAARM CC(C)c1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000002570964 206921771 /nfs/dbraw/zinc/92/17/71/206921771.db2.gz BCRWKEFAVYSUHX-GOSISDBHSA-N -1 0 362.878 5.282 50 0 FKAARM Cc1ccc(S[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000002570984 206922013 /nfs/dbraw/zinc/92/20/13/206922013.db2.gz VUQMMHIDUHPXGY-LJQANCHMSA-N -1 0 356.487 5.111 50 0 FKAARM O=C([O-])[C@@H](CC(=O)c1ccc(C2CCCCC2)cc1)SC1CCCCC1 ZINC000002570987 204044631 /nfs/dbraw/zinc/04/46/31/204044631.db2.gz QJCXHBFXQPPRAG-OAQYLSRUSA-N -1 0 374.546 5.826 50 0 FKAARM O=c1oc2cc([O-])ccc2c(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000002581709 570525719 /nfs/dbraw/zinc/52/57/19/570525719.db2.gz DNLRVCHWGNMSCA-UHFFFAOYSA-N -1 0 362.812 5.410 50 0 FKAARM Cc1cccc(C(=O)[O-])c1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582970 570525679 /nfs/dbraw/zinc/52/56/79/570525679.db2.gz HRZRGCZCULPHNU-UHFFFAOYSA-N -1 0 373.408 5.054 50 0 FKAARM Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)[O-])c1 ZINC000002582972 204045147 /nfs/dbraw/zinc/04/51/47/204045147.db2.gz LUZFNFRMORUWNG-UHFFFAOYSA-N -1 0 373.408 5.054 50 0 FKAARM Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C(=O)[O-] ZINC000002582974 219449368 /nfs/dbraw/zinc/44/93/68/219449368.db2.gz GXUAWDMYWAUCOJ-UHFFFAOYSA-N -1 0 373.408 5.054 50 0 FKAARM Cc1cc(C(=O)[O-])ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582976 570525531 /nfs/dbraw/zinc/52/55/31/570525531.db2.gz AEMDMIXDWRNKND-UHFFFAOYSA-N -1 0 373.408 5.054 50 0 FKAARM O=C([O-])c1ccccc1Sc1ncnc2scc(-c3ccccc3)c21 ZINC000002633023 570526418 /nfs/dbraw/zinc/52/64/18/570526418.db2.gz QNAVYABNYJQGGZ-UHFFFAOYSA-N -1 0 364.451 5.208 50 0 FKAARM Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3Cl)cc(C(=O)[O-])c2c1 ZINC000002738078 206930283 /nfs/dbraw/zinc/93/02/83/206930283.db2.gz CBYZRAUNPBAREH-UHFFFAOYSA-N -1 0 366.631 5.869 50 0 FKAARM CCc1ccccc1-n1c(=S)[n-]nc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000002791810 570674066 /nfs/dbraw/zinc/67/40/66/570674066.db2.gz GBHGJCGJWKLHCP-HOTGVXAUSA-N -1 0 355.894 5.417 50 0 FKAARM CCc1ccccc1-n1c(=S)[n-]nc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000002791811 570674013 /nfs/dbraw/zinc/67/40/13/570674013.db2.gz GBHGJCGJWKLHCP-JKSUJKDBSA-N -1 0 355.894 5.417 50 0 FKAARM CCc1ccccc1-n1c(=S)[n-]nc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000002791812 204057996 /nfs/dbraw/zinc/05/79/96/204057996.db2.gz GBHGJCGJWKLHCP-CVEARBPZSA-N -1 0 355.894 5.417 50 0 FKAARM CCc1ccccc1-n1c(=S)[n-]nc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000002791813 570673977 /nfs/dbraw/zinc/67/39/77/570673977.db2.gz GBHGJCGJWKLHCP-HZPDHXFCSA-N -1 0 355.894 5.417 50 0 FKAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NC2CCCCCCCCCCC2)C1 ZINC000002792960 570673795 /nfs/dbraw/zinc/67/37/95/570673795.db2.gz JERUTSOCPMTFCI-UXHICEINSA-N -1 0 363.542 5.223 50 0 FKAARM O=c1c2sc3ccccc3c2[n-]c(=S)n1CCc1ccc(Cl)cc1 ZINC000002961699 571343001 /nfs/dbraw/zinc/34/30/01/571343001.db2.gz OMABKDCOIFKXBQ-UHFFFAOYSA-N -1 0 372.902 5.170 50 0 FKAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccc3ccccc3c2)cs1 ZINC000002964162 571343075 /nfs/dbraw/zinc/34/30/75/571343075.db2.gz KBHRBIKLUMTCJB-UHFFFAOYSA-N -1 0 371.417 5.442 50 0 FKAARM Cc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)[O-])s2)cc1 ZINC000002998702 570548796 /nfs/dbraw/zinc/54/87/96/570548796.db2.gz WNSYAXZQUBZRIY-UHFFFAOYSA-N -1 0 366.486 5.613 50 0 FKAARM O=C([O-])c1ccc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 ZINC000002999270 571072066 /nfs/dbraw/zinc/07/20/66/571072066.db2.gz XPZDEPHYTUELIJ-UHFFFAOYSA-N -1 0 352.440 5.232 50 0 FKAARM O=C([O-])c1c(Br)sc(-c2ccccc2)c1-c1ccccc1 ZINC000003000203 571071950 /nfs/dbraw/zinc/07/19/50/571071950.db2.gz KLFUTFCZYNDTCA-UHFFFAOYSA-N -1 0 359.244 5.543 50 0 FKAARM Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)cc1C ZINC000003029251 219482841 /nfs/dbraw/zinc/48/28/41/219482841.db2.gz PYBIDEJVOONMQF-UHFFFAOYSA-N -1 0 361.397 5.046 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003032620 571343761 /nfs/dbraw/zinc/34/37/61/571343761.db2.gz HIAJCGFYHIANNA-ZKQDMOBOSA-N -1 0 374.565 5.427 50 0 FKAARM Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1C ZINC000003039535 560188519 /nfs/dbraw/zinc/18/85/19/560188519.db2.gz NZJZJKJPXZZEEC-UHFFFAOYSA-N -1 0 361.397 5.046 50 0 in-vitro FKAARM O=C([O-])c1ccccc1C(=O)c1ccc2c(c1)-c1cccc3cccc-2c13 ZINC000003051890 206955363 /nfs/dbraw/zinc/95/53/63/206955363.db2.gz OSGPEGBNYNVHNO-UHFFFAOYSA-N -1 0 350.373 5.416 50 0 FKAARM O=C([O-])[C@@H](Sc1nc2ccccc2nc1-c1ccccc1)c1ccccc1 ZINC000003066261 204076663 /nfs/dbraw/zinc/07/66/63/204076663.db2.gz JVNHEGSKJXOCDW-FQEVSTJZSA-N -1 0 372.449 5.215 50 0 FKAARM O=C([O-])[C@H](Sc1nc2ccccc2nc1-c1ccccc1)c1ccccc1 ZINC000003066262 206955270 /nfs/dbraw/zinc/95/52/70/206955270.db2.gz JVNHEGSKJXOCDW-HXUWFJFHSA-N -1 0 372.449 5.215 50 0 FKAARM CC(C)(C)c1ccc(C(=O)N(c2ccccc2)c2ccccc2C(=O)[O-])cc1 ZINC000003085981 570551447 /nfs/dbraw/zinc/55/14/47/570551447.db2.gz PCHBUEPMMUKNCU-UHFFFAOYSA-N -1 0 373.452 5.661 50 0 FKAARM Cc1ccc(NC(=O)c2ccc(OC(=S)[N-]c3ccccc3)cc2)cc1 ZINC000003112248 204078821 /nfs/dbraw/zinc/07/88/21/204078821.db2.gz UVLPUSUFZRYZLG-UHFFFAOYSA-N -1 0 362.454 5.023 50 0 FKAARM S=C([N-]c1ccc(Cl)cc1)SCc1c(Cl)cccc1Cl ZINC000003135345 570552723 /nfs/dbraw/zinc/55/27/23/570552723.db2.gz RZZDNBXEPDQKFQ-UHFFFAOYSA-N -1 0 362.734 6.277 50 0 FKAARM CSc1sc(C(=O)[O-])cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003138482 204080099 /nfs/dbraw/zinc/08/00/99/204080099.db2.gz GHIPQRTXISTCRE-UHFFFAOYSA-N -1 0 367.904 5.612 50 0 FKAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c2ccccc2c1[O-] ZINC000003149675 570779291 /nfs/dbraw/zinc/77/92/91/570779291.db2.gz HOODDHQVVNNYRM-UHFFFAOYSA-N -1 0 366.631 5.758 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000003198668 204082610 /nfs/dbraw/zinc/08/26/10/204082610.db2.gz SCKITHFBZAOYKO-UHFFFAOYSA-N -1 0 352.604 5.560 50 0 FKAARM O=C([O-])[C@@H](Sc1nc2ccccc2c(-c2ccccc2)n1)c1ccccc1 ZINC000003210156 204082541 /nfs/dbraw/zinc/08/25/41/204082541.db2.gz DDPJSROAAAQFMY-FQEVSTJZSA-N -1 0 372.449 5.215 50 0 FKAARM O=C([O-])[C@H](Sc1nc2ccccc2c(-c2ccccc2)n1)c1ccccc1 ZINC000003210157 204082626 /nfs/dbraw/zinc/08/26/26/204082626.db2.gz DDPJSROAAAQFMY-HXUWFJFHSA-N -1 0 372.449 5.215 50 0 FKAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000003249585 204084520 /nfs/dbraw/zinc/08/45/20/204084520.db2.gz KCIZJZMPDKEYJR-UKTHLTGXSA-N -1 0 354.446 5.060 50 0 FKAARM O=C([O-])/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1 ZINC000003252552 204084109 /nfs/dbraw/zinc/08/41/09/204084109.db2.gz YXCDOOYPWGWDPY-RGEXLXHISA-N -1 0 366.363 5.580 50 0 FKAARM O=C([O-])c1cc(-c2cccs2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000003265421 571177889 /nfs/dbraw/zinc/17/78/89/571177889.db2.gz PDTRTGSWJKNBFG-UHFFFAOYSA-N -1 0 373.648 5.259 50 0 FKAARM CC(C)(C)[N-]P(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000003304878 571346973 /nfs/dbraw/zinc/34/69/73/571346973.db2.gz MDMLAXQWMPEBCC-UHFFFAOYSA-N -1 0 355.844 5.308 50 0 FKAARM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000003330246 571347552 /nfs/dbraw/zinc/34/75/52/571347552.db2.gz IHRGHHDLHHGLGR-UHFFFAOYSA-N -1 0 373.861 5.242 50 0 FKAARM Cc1nn(-c2ccc(C)cc2C)c2nc(-c3ccc(C)cc3)cc(C(=O)[O-])c12 ZINC000003345131 570661314 /nfs/dbraw/zinc/66/13/14/570661314.db2.gz CIAIKLVWOJWSCU-UHFFFAOYSA-N -1 0 371.440 5.019 50 0 FKAARM O=C([O-])c1ccccc1Sc1nc(-c2ccccc2)nc2ccccc21 ZINC000003454786 571350031 /nfs/dbraw/zinc/35/00/31/571350031.db2.gz KPCPLSAQJCEBSC-UHFFFAOYSA-N -1 0 358.422 5.146 50 0 FKAARM Cc1ccc2nc(-c3ccc(/C=C/c4ccccc4)cc3)cc(C(=O)[O-])c2c1 ZINC000003625444 571186108 /nfs/dbraw/zinc/18/61/08/571186108.db2.gz ADEOQZQXNWZYTK-CMDGGOBGSA-N -1 0 365.432 6.079 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c1cccc2C(F)(F)F ZINC000003756582 570567708 /nfs/dbraw/zinc/56/77/08/570567708.db2.gz IJVHUIHUVZRELG-UHFFFAOYSA-N -1 0 351.711 5.272 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)s2)nc2c(Cl)cc(Cl)cc12 ZINC000003756894 210493630 /nfs/dbraw/zinc/49/36/30/210493630.db2.gz NVIKFYILZKIJEJ-UHFFFAOYSA-N -1 0 358.633 5.622 50 0 FKAARM Cc1cc2c(cc1C(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000003834070 570567854 /nfs/dbraw/zinc/56/78/54/570567854.db2.gz QADGBOQVBUXZKO-UHFFFAOYSA-N -1 0 350.458 5.273 50 0 FKAARM CC(=O)CCc1cc2c(cc1N=Nc1ccccc1C(=O)[O-])CC[C@@H](C)N2 ZINC000003844793 571307832 /nfs/dbraw/zinc/30/78/32/571307832.db2.gz JZTCOJKNZPNJHD-CYBMUJFWSA-N -1 0 365.433 5.068 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003847906 570568898 /nfs/dbraw/zinc/56/88/98/570568898.db2.gz KIQFUORWRVZTHT-OUNAMXNMSA-N -1 0 374.565 5.715 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003847908 570568796 /nfs/dbraw/zinc/56/87/96/570568796.db2.gz KIQFUORWRVZTHT-IWDOKWJLSA-N -1 0 374.565 5.715 50 0 FKAARM Cc1ccc(C(c2ccc(C)o2)c2ccc(-c3ccccc3C(=O)[O-])o2)o1 ZINC000003848501 204111834 /nfs/dbraw/zinc/11/18/34/204111834.db2.gz KGFOQGMQFLSJDW-UHFFFAOYSA-N -1 0 362.381 5.628 50 0 FKAARM CC(C)(C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000003850056 570569236 /nfs/dbraw/zinc/56/92/36/570569236.db2.gz OLFAUBNLGRKABZ-QESVLWSZSA-N -1 0 360.538 5.037 50 0 FKAARM CC(C)(C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000003850060 570569321 /nfs/dbraw/zinc/56/93/21/570569321.db2.gz OLFAUBNLGRKABZ-TVSPITPHSA-N -1 0 360.538 5.037 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C=C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003850252 570569366 /nfs/dbraw/zinc/56/93/66/570569366.db2.gz BESWZNZZPZNJEO-GNNWDLNUSA-N -1 0 358.566 6.312 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000003850262 570569299 /nfs/dbraw/zinc/56/92/99/570569299.db2.gz ZKGCEXPUCJDWMB-NVLAUVAKSA-N -1 0 374.565 5.715 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000003850264 570569269 /nfs/dbraw/zinc/56/92/69/570569269.db2.gz ZKGCEXPUCJDWMB-WZVYRGHWSA-N -1 0 374.565 5.715 50 0 FKAARM CC(=O)O[C@]1(C)CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)[O-] ZINC000003851374 210494772 /nfs/dbraw/zinc/49/47/72/210494772.db2.gz UUVHOZKAPKYWRN-CNFPBCLWSA-N -1 0 366.542 5.442 50 0 FKAARM CC(=O)O[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)[O-] ZINC000003851376 570569253 /nfs/dbraw/zinc/56/92/53/570569253.db2.gz UUVHOZKAPKYWRN-LFAMGNCKSA-N -1 0 366.542 5.442 50 0 FKAARM C[C@@H](CC[C@H]1[C@](C)(OC=O)CC[C@H]2C(C)(C)CCC[C@]12C)CC(=O)[O-] ZINC000003851378 204111472 /nfs/dbraw/zinc/11/14/72/204111472.db2.gz RJTQRENDRIOHRF-CFPPRVJZSA-N -1 0 352.515 5.052 50 0 FKAARM C[C@@H](CC[C@H]1[C@](C)(OC=O)CC[C@@H]2C(C)(C)CCC[C@@]21C)CC(=O)[O-] ZINC000003851380 570569240 /nfs/dbraw/zinc/56/92/40/570569240.db2.gz RJTQRENDRIOHRF-LKDYQKJYSA-N -1 0 352.515 5.052 50 0 FKAARM Cc1cc2c(cc1C1(c3ccc(C(=O)[O-])cn3)CC1)C(C)(C)CCC2(C)C ZINC000003873121 210495064 /nfs/dbraw/zinc/49/50/64/210495064.db2.gz SLXTWXQUEZSSTJ-UHFFFAOYSA-N -1 0 363.501 5.517 50 0 investigational FKAARM O=C([O-])c1sc2c(c1Cl)c(-c1ccccc1)nn2-c1ccccc1 ZINC000003885019 204112445 /nfs/dbraw/zinc/11/24/45/204112445.db2.gz LTVJPEXTSVGISH-UHFFFAOYSA-N -1 0 354.818 5.106 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 ZINC000003885039 204112825 /nfs/dbraw/zinc/11/28/25/204112825.db2.gz SUQNGDIEEBYGGF-FMIVXFBMSA-N -1 0 370.235 5.727 50 0 FKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1c(F)cccc1Cl ZINC000003885040 219527382 /nfs/dbraw/zinc/52/73/82/219527382.db2.gz IQSZSIBCBOQZIZ-VAWYXSNFSA-N -1 0 367.807 5.602 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1c(F)cccc1Cl)CC2 ZINC000003885047 204112918 /nfs/dbraw/zinc/11/29/18/204112918.db2.gz GCWVEUXRHJDYRU-ZHACJKMWSA-N -1 0 353.780 5.212 50 0 FKAARM CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000003885048 570570129 /nfs/dbraw/zinc/57/01/29/570570129.db2.gz HDOAWHDGWAGPFR-JQIJEIRASA-N -1 0 357.453 5.717 50 0 FKAARM CC(C)(C)c1ccc(/C=C2\CCCc3c(C(=O)[O-])c4ccccc4nc32)cc1 ZINC000003885050 219527243 /nfs/dbraw/zinc/52/72/43/219527243.db2.gz JLYYFFPVASOOPO-BMRADRMJSA-N -1 0 371.480 6.107 50 0 FKAARM COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000003885952 570570357 /nfs/dbraw/zinc/57/03/57/570570357.db2.gz RAEVJWCABIVQLE-BXWAGETQSA-N -1 0 359.425 5.065 50 0 FKAARM COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000003885953 570570237 /nfs/dbraw/zinc/57/02/37/570570237.db2.gz RAEVJWCABIVQLE-LBFFYKKLSA-N -1 0 359.425 5.065 50 0 FKAARM CCCCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000003885973 570570072 /nfs/dbraw/zinc/57/00/72/570570072.db2.gz KWDKNJJNTVVWRD-SSZFMOIBSA-N -1 0 367.470 5.491 50 0 FKAARM CCCCCC1CCC(c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc2)CC1 ZINC000003896000 204114143 /nfs/dbraw/zinc/11/41/43/204114143.db2.gz YAMYBMPZQCLHMB-NGICGMGXSA-N -1 0 373.537 5.380 50 0 FKAARM CCCCCC1CCC(c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)CC1 ZINC000003896001 571171699 /nfs/dbraw/zinc/17/16/99/571171699.db2.gz YAMYBMPZQCLHMB-WIXQSORDSA-N -1 0 373.537 5.380 50 0 FKAARM CC(C)=CCC/C(C)=C/CC[C@@]1(C)C=Cc2c(O)c(C(=O)[O-])c(C)cc2O1 ZINC000003933037 570509875 /nfs/dbraw/zinc/50/98/75/570509875.db2.gz UYLFTJMQPWWDCW-MVLVPLOLSA-N -1 0 370.489 6.036 50 0 FKAARM O=C([O-])/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000003990465 571270980 /nfs/dbraw/zinc/27/09/80/571270980.db2.gz QAWBIEIZDDIEMW-FPYGCLRLSA-N -1 0 374.480 5.625 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004026082 571205119 /nfs/dbraw/zinc/20/51/19/571205119.db2.gz HIAJCGFYHIANNA-QXBFCPNMSA-N -1 0 374.565 5.427 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004026083 571205304 /nfs/dbraw/zinc/20/53/04/571205304.db2.gz HIAJCGFYHIANNA-HBRDEYFMSA-N -1 0 374.565 5.427 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004026084 571205112 /nfs/dbraw/zinc/20/51/12/571205112.db2.gz HIAJCGFYHIANNA-LRUGSUGSSA-N -1 0 374.565 5.427 50 0 FKAARM O=C([O-])c1ccc(-c2ccc(OCCCCCCCCCCO)cc2)cc1 ZINC000004060433 570574311 /nfs/dbraw/zinc/57/43/11/570574311.db2.gz AIKURORZFCFWGB-UHFFFAOYSA-N -1 0 370.489 5.544 50 0 FKAARM Cc1cccc(Oc2c(-c3ccccc3)nc3ccccc3c2C(=O)[O-])c1C ZINC000004091457 210508682 /nfs/dbraw/zinc/50/86/82/210508682.db2.gz ZYXXNMXGVHGDGN-UHFFFAOYSA-N -1 0 369.420 6.009 50 0 FKAARM CC(C)(C)c1c(Cl)c([O-])c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1 ZINC000004114613 207001155 /nfs/dbraw/zinc/00/11/55/207001155.db2.gz JTLYOZMTJNJLFF-UHFFFAOYSA-N -1 0 371.839 5.300 50 0 FKAARM CC(C)c1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000004118408 210509553 /nfs/dbraw/zinc/50/95/53/210509553.db2.gz BCRWKEFAVYSUHX-SFHVURJKSA-N -1 0 362.878 5.282 50 0 FKAARM Cc1ccc(S[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000004118447 207002067 /nfs/dbraw/zinc/00/20/67/207002067.db2.gz VUQMMHIDUHPXGY-IBGZPJMESA-N -1 0 356.487 5.111 50 0 FKAARM O=C([O-])[C@H](CC(=O)c1ccc(C2CCCCC2)cc1)SC1CCCCC1 ZINC000004118462 204122660 /nfs/dbraw/zinc/12/26/60/204122660.db2.gz QJCXHBFXQPPRAG-NRFANRHFSA-N -1 0 374.546 5.826 50 0 FKAARM CCOc1ccc2nc([N-]c3nc4c(cccc4OC)s3)sc2c1 ZINC000004121603 219545129 /nfs/dbraw/zinc/54/51/29/219545129.db2.gz GCSDEGRPSPMBLG-UHFFFAOYSA-N -1 0 357.460 5.057 50 0 FKAARM CCOc1cccc2sc([N-]c3nc4ccc(OC)cc4s3)nc21 ZINC000004137654 206171305 /nfs/dbraw/zinc/17/13/05/206171305.db2.gz CEOJRWZBBLBTSE-UHFFFAOYSA-N -1 0 357.460 5.057 50 0 FKAARM Cc1nc2ccc3nc([N-]c4nc5c(cccc5F)s4)sc3c2s1 ZINC000004137668 571355968 /nfs/dbraw/zinc/35/59/68/571355968.db2.gz INGYEINVMSGBSO-UHFFFAOYSA-N -1 0 372.475 5.707 50 0 FKAARM Fc1cccc2sc([N-]c3nc(-c4ccc(Cl)s4)cs3)nc21 ZINC000004137671 219547926 /nfs/dbraw/zinc/54/79/26/219547926.db2.gz LAHKACHHQPQUDO-UHFFFAOYSA-N -1 0 367.883 6.017 50 0 FKAARM Cc1nc2c(ccc3nc([N-]c4nc5c(cccc5F)s4)sc32)s1 ZINC000004137682 571356001 /nfs/dbraw/zinc/35/60/01/571356001.db2.gz MDGVEPMBPHVKPA-UHFFFAOYSA-N -1 0 372.475 5.707 50 0 FKAARM CCc1ccc2nc([N-]c3nc4ccc(NC(C)=O)cc4s3)sc2c1 ZINC000004137701 571356003 /nfs/dbraw/zinc/35/60/03/571356003.db2.gz QUMIKRFWXRHQNB-UHFFFAOYSA-N -1 0 368.487 5.170 50 0 FKAARM COc1ccc2nc([N-]c3nc4ccc(C(C)C)cc4s3)sc2c1 ZINC000004137706 571356044 /nfs/dbraw/zinc/35/60/44/571356044.db2.gz MCEDLIZSVFXJEG-UHFFFAOYSA-N -1 0 355.488 5.782 50 0 FKAARM COc1cccc2sc([N-]c3nc4ccc(C(C)C)cc4s3)nc21 ZINC000004137707 571356047 /nfs/dbraw/zinc/35/60/47/571356047.db2.gz UBXSCLDRCLHXAL-UHFFFAOYSA-N -1 0 355.488 5.782 50 0 FKAARM CCCCc1ccc2nc([N-]c3nc4ccc(OC)cc4s3)sc2c1 ZINC000004137715 206171291 /nfs/dbraw/zinc/17/12/91/206171291.db2.gz PJPAJEVNEMKMBR-UHFFFAOYSA-N -1 0 369.515 6.001 50 0 FKAARM CCCCc1ccc2nc([N-]c3nc4c(cccc4OC)s3)sc2c1 ZINC000004137717 571356035 /nfs/dbraw/zinc/35/60/35/571356035.db2.gz HODNGWOJHIPLMT-UHFFFAOYSA-N -1 0 369.515 6.001 50 0 FKAARM CCCCc1ccc2nc([N-]c3nc4ccc(F)cc4s3)sc2c1 ZINC000004137718 206170589 /nfs/dbraw/zinc/17/05/89/206170589.db2.gz IKHMKVPSLOEDPQ-UHFFFAOYSA-N -1 0 357.479 6.131 50 0 FKAARM CCCCc1ccc2nc([N-]c3nc4c(cccc4F)s3)sc2c1 ZINC000004137721 571355988 /nfs/dbraw/zinc/35/59/88/571355988.db2.gz ZNIXOJPXDGSIDY-UHFFFAOYSA-N -1 0 357.479 6.131 50 0 FKAARM CCOc1ccc2nc([N-]c3nc4ccc(OC)cc4s3)sc2c1 ZINC000004137722 571356039 /nfs/dbraw/zinc/35/60/39/571356039.db2.gz SCQRIYQAPOXPDW-UHFFFAOYSA-N -1 0 357.460 5.057 50 0 FKAARM Cc1nc2ccc3nc([N-]c4nc5ccc(F)cc5s4)sc3c2s1 ZINC000004137772 571356023 /nfs/dbraw/zinc/35/60/23/571356023.db2.gz UTDKAQJJXPKXMI-UHFFFAOYSA-N -1 0 372.475 5.707 50 0 FKAARM Fc1ccc2nc([N-]c3nc(-c4ccc(Cl)s4)cs3)sc2c1 ZINC000004137775 571355995 /nfs/dbraw/zinc/35/59/95/571355995.db2.gz ROYJORFLZRFQAJ-UHFFFAOYSA-N -1 0 367.883 6.017 50 0 FKAARM Cc1nc2c(ccc3nc([N-]c4nc5ccc(F)cc5s4)sc32)s1 ZINC000004137783 571356033 /nfs/dbraw/zinc/35/60/33/571356033.db2.gz YIOIVFGDPTULTL-UHFFFAOYSA-N -1 0 372.475 5.707 50 0 FKAARM CC(=O)Nc1ccc2nc([N-]c3nc4ccc(Cl)cc4s3)sc2c1 ZINC000004137801 206170411 /nfs/dbraw/zinc/17/04/11/206170411.db2.gz PRDZECSHNMRZDO-UHFFFAOYSA-N -1 0 374.878 5.261 50 0 FKAARM Clc1ccc2nc([N-]c3nc4cc5c(cc4s3)OCO5)sc2c1 ZINC000004137810 571356012 /nfs/dbraw/zinc/35/60/12/571356012.db2.gz IRLSXCMJAYJOCV-UHFFFAOYSA-N -1 0 361.835 5.032 50 0 FKAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc2ccccc2c1 ZINC000004147011 571356151 /nfs/dbraw/zinc/35/61/51/571356151.db2.gz XTVWIDGDWODMTL-UHFFFAOYSA-N -1 0 367.404 5.457 50 0 FKAARM Clc1ccc(-c2csc([N-]c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000004147063 207003428 /nfs/dbraw/zinc/00/34/28/207003428.db2.gz XFHWLROUXSFXCE-UHFFFAOYSA-N -1 0 369.902 6.331 50 0 FKAARM Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)c1 ZINC000004168026 570579950 /nfs/dbraw/zinc/57/99/50/570579950.db2.gz AWKMPWGQZAGVJW-UHFFFAOYSA-N -1 0 355.434 5.104 50 0 FKAARM O=C([O-])Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000004182896 207006704 /nfs/dbraw/zinc/00/67/04/207006704.db2.gz DUYDZCXMDIODGM-UHFFFAOYSA-N -1 0 373.477 5.468 50 0 FKAARM Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C(C)(C)C)C2 ZINC000004187122 207006568 /nfs/dbraw/zinc/00/65/68/207006568.db2.gz AEQPUDJFCPDKHZ-CYBMUJFWSA-N -1 0 371.502 5.158 50 0 FKAARM Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C(C)(C)C)C2 ZINC000004187124 207006149 /nfs/dbraw/zinc/00/61/49/207006149.db2.gz AEQPUDJFCPDKHZ-ZDUSSCGKSA-N -1 0 371.502 5.158 50 0 FKAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2ccccc21 ZINC000004188309 570580820 /nfs/dbraw/zinc/58/08/20/570580820.db2.gz QVTUUXVGGREZKO-UHFFFAOYSA-N -1 0 360.196 5.097 50 0 FKAARM Cc1cccc(-n2nc(C(=O)[O-])cc2-c2ccc(-c3ccccc3)cc2)c1 ZINC000004218740 204126802 /nfs/dbraw/zinc/12/68/02/204126802.db2.gz GCKSOGWBQNSOJI-UHFFFAOYSA-N -1 0 354.409 5.213 50 0 FKAARM Cc1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000004218747 207008245 /nfs/dbraw/zinc/00/82/45/207008245.db2.gz MHAQAJYKQMJAEO-UHFFFAOYSA-N -1 0 354.409 5.213 50 0 FKAARM CC[C@@H](C)c1ccc(-n2nc(C)c(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1 ZINC000004237730 219557361 /nfs/dbraw/zinc/55/73/61/219557361.db2.gz RGEIJNMVNWZMAD-CYBMUJFWSA-N -1 0 368.864 5.713 50 0 FKAARM CC[C@H](C)c1ccc(-n2nc(C)c(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1 ZINC000004237731 204128155 /nfs/dbraw/zinc/12/81/55/204128155.db2.gz RGEIJNMVNWZMAD-ZDUSSCGKSA-N -1 0 368.864 5.713 50 0 FKAARM CCCCc1ccc(-n2nc(C)c(C(=O)[O-])c2-c2ccc(Cl)cc2)cc1 ZINC000004237732 204128922 /nfs/dbraw/zinc/12/89/22/204128922.db2.gz VBVGABOVLPXZQR-UHFFFAOYSA-N -1 0 368.864 5.542 50 0 FKAARM Cc1nn(-c2ccccc2C(C)C)c(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000004237733 570581704 /nfs/dbraw/zinc/58/17/04/570581704.db2.gz SBKJMVCLJBALTK-UHFFFAOYSA-N -1 0 354.837 5.323 50 0 FKAARM O=C([O-])c1cc(-c2ccccc2Cl)nc2ccc(Br)cc21 ZINC000004241467 207009152 /nfs/dbraw/zinc/00/91/52/207009152.db2.gz MSJQBZXALAXXAN-UHFFFAOYSA-N -1 0 362.610 5.016 50 0 FKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(F)cc21 ZINC000004291776 571357755 /nfs/dbraw/zinc/35/77/55/571357755.db2.gz VMSRDCOSCFKKHM-UHFFFAOYSA-N -1 0 351.308 5.138 50 0 FKAARM O=c1c(-c2ccccc2)c(O)cc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000004375749 204135048 /nfs/dbraw/zinc/13/50/48/204135048.db2.gz FUQOOKYYANAEIF-UHFFFAOYSA-N -1 0 357.384 5.016 50 0 FKAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1Cc1c(Cl)cccc1Cl ZINC000004376035 570588426 /nfs/dbraw/zinc/58/84/26/570588426.db2.gz SMQTYMROTQHDFV-UHFFFAOYSA-N -1 0 369.631 5.358 50 0 FKAARM CC(C)(C)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])cc1 ZINC000004389082 570589200 /nfs/dbraw/zinc/58/92/00/570589200.db2.gz OBENUIBHBAJXIT-UHFFFAOYSA-N -1 0 366.244 5.241 50 0 FKAARM O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000004457914 207020284 /nfs/dbraw/zinc/02/02/84/207020284.db2.gz JIJGTEWINPGDPP-UHFFFAOYSA-N -1 0 358.372 5.248 50 0 FKAARM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)[O-] ZINC000004467867 570591675 /nfs/dbraw/zinc/59/16/75/570591675.db2.gz YLEARPUNMCCKMP-DOFZRALJSA-N -1 0 361.526 5.333 50 0 endogenous,in-man FKAARM CCCCCCOc1ccc(C(=O)[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000004528981 204143887 /nfs/dbraw/zinc/14/38/87/204143887.db2.gz DNBKCVREKAPFQK-HXUWFJFHSA-N -1 0 354.446 5.087 50 0 FKAARM CC(C)Cc1ccc(COc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000004529093 207025756 /nfs/dbraw/zinc/02/57/56/207025756.db2.gz ZFPPRHFYJIYXCM-HNNXBMFYSA-N -1 0 360.881 5.696 50 0 FKAARM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(C(=O)[O-])cc2)cc1 ZINC000004532227 207026726 /nfs/dbraw/zinc/02/67/26/207026726.db2.gz KKECDGXMCKMRRM-QFIPXVFZSA-N -1 0 356.425 5.049 50 0 FKAARM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(C(=O)[O-])cc2)cc1 ZINC000004532228 219583889 /nfs/dbraw/zinc/58/38/89/219583889.db2.gz KKECDGXMCKMRRM-JOCHJYFZSA-N -1 0 356.425 5.049 50 0 FKAARM O=C([O-])c1cc(-c2ccc3noc(-c4ccccc4)c3c2)nc2ccccc21 ZINC000004539321 207026717 /nfs/dbraw/zinc/02/67/17/207026717.db2.gz CVTOLDORLPLJGZ-UHFFFAOYSA-N -1 0 366.376 5.408 50 0 FKAARM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000004565584 204147712 /nfs/dbraw/zinc/14/77/12/204147712.db2.gz BRNGCLVEPIWJJE-VHXPQNKSSA-N -1 0 367.408 5.223 50 0 FKAARM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004618325 263335192 /nfs/dbraw/zinc/33/51/92/263335192.db2.gz OMNNKKGSFFCEFU-NSHDSACASA-N -1 0 358.290 5.308 50 0 FKAARM Cc1cc(C)c2nc(-c3ccc(Br)s3)cc(C(=O)[O-])c2c1 ZINC000004652223 209501997 /nfs/dbraw/zinc/50/19/97/209501997.db2.gz FFVLNESUXFFELA-UHFFFAOYSA-N -1 0 362.248 5.041 50 0 FKAARM O=C([O-])c1ccc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc1 ZINC000004660117 204152838 /nfs/dbraw/zinc/15/28/38/204152838.db2.gz VTFCQWOMTBAWJM-UHFFFAOYSA-N -1 0 366.420 5.528 50 0 FKAARM Cc1cccc(Nc2nc(-c3ccc(Cl)cc3)c(CC(=O)[O-])s2)c1 ZINC000004663695 571155996 /nfs/dbraw/zinc/15/59/96/571155996.db2.gz BAIPQPIUEVEOFP-UHFFFAOYSA-N -1 0 358.850 5.143 50 0 FKAARM O=C([O-])c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1O ZINC000004711783 571168111 /nfs/dbraw/zinc/16/81/11/571168111.db2.gz HUECFCSRZKSRJF-UHFFFAOYSA-N -1 0 362.410 5.111 50 0 FKAARM CCCCCC1CCC(c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000004714383 570602837 /nfs/dbraw/zinc/60/28/37/570602837.db2.gz HMEOOKGLYKYTGR-UHFFFAOYSA-N -1 0 350.502 6.906 50 0 FKAARM CCOc1ccc2nc([N-]c3nc4ccccc4nc3Cl)sc2c1 ZINC000004740999 571230148 /nfs/dbraw/zinc/23/01/48/571230148.db2.gz MYFONGOMYVNBBW-UHFFFAOYSA-N -1 0 356.838 5.035 50 0 FKAARM COc1cc(C)cc(C)c1/C(=C(/C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000004764972 204161651 /nfs/dbraw/zinc/16/16/51/204161651.db2.gz FZNFWNNAEDCWSN-GHVJWSGMSA-N -1 0 358.437 5.356 50 0 FKAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1Cc1cccc2ccccc21 ZINC000004776932 570606226 /nfs/dbraw/zinc/60/62/26/570606226.db2.gz OFNBSFMFHMXOJD-SFHVURJKSA-N -1 0 371.465 5.031 50 0 FKAARM O=C([O-])c1ccccc1C(=O)OC1CCCCc2ccc(cc2)CCCC1 ZINC000004790028 204164356 /nfs/dbraw/zinc/16/43/56/204164356.db2.gz HUMDLLLIOPZQEX-UHFFFAOYSA-N -1 0 366.457 5.050 50 0 FKAARM O=C([O-])c1ccccc1C(=O)O[C@@H]1CCCCCc2ccc(cc2)CCC1 ZINC000004795371 571132164 /nfs/dbraw/zinc/13/21/64/571132164.db2.gz KBSZIXZWJZXZRZ-LJQANCHMSA-N -1 0 366.457 5.050 50 0 FKAARM O=C([O-])c1ccccc1C(=O)O[C@H]1CCCCCc2ccc(cc2)CCC1 ZINC000004795375 210106096 /nfs/dbraw/zinc/10/60/96/210106096.db2.gz KBSZIXZWJZXZRZ-IBGZPJMESA-N -1 0 366.457 5.050 50 0 FKAARM CCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C(F)(F)F)oc2cc1[O-] ZINC000004801948 204164881 /nfs/dbraw/zinc/16/48/81/204164881.db2.gz XMIUXFRUNWDTIA-UHFFFAOYSA-N -1 0 368.282 5.011 50 0 FKAARM Cc1ccc(-c2csc(NC(=O)c3ccccc3Cl)c2C(=O)[O-])cc1 ZINC000004808116 570607188 /nfs/dbraw/zinc/60/71/88/570607188.db2.gz PEYRAAWXWHOZFA-UHFFFAOYSA-N -1 0 371.845 5.327 50 0 FKAARM O=C([O-])c1c(-c2cccs2)csc1NC(=O)c1ccccc1Cl ZINC000004808437 570606996 /nfs/dbraw/zinc/60/69/96/570606996.db2.gz FKZCOXZVRMRRKA-UHFFFAOYSA-N -1 0 363.847 5.081 50 0 FKAARM C[C@H](Sc1nc2cc(-c3ccccc3)c(-c3ccccc3)cc2[nH]1)C(=O)[O-] ZINC000004819994 210566218 /nfs/dbraw/zinc/56/62/18/210566218.db2.gz AXZWGOMFTQVALH-AWEZNQCLSA-N -1 0 374.465 5.462 50 0 FKAARM C[C@@H](Sc1nc2cc(-c3ccccc3)c(-c3ccccc3)cc2[nH]1)C(=O)[O-] ZINC000004819995 204166544 /nfs/dbraw/zinc/16/65/44/204166544.db2.gz AXZWGOMFTQVALH-CQSZACIVSA-N -1 0 374.465 5.462 50 0 FKAARM Cc1ccc(C(c2ccc(C)o2)c2ccc(-c3ccc(C(=O)[O-])cc3)o2)o1 ZINC000004862821 570552722 /nfs/dbraw/zinc/55/27/22/570552722.db2.gz SZISJIBJIWPBQL-UHFFFAOYSA-N -1 0 362.381 5.628 50 0 FKAARM CC(C)N(c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004865450 207057500 /nfs/dbraw/zinc/05/75/00/207057500.db2.gz IHQCKJFENIFKLB-UHFFFAOYSA-N -1 0 372.515 5.095 50 0 FKAARM COc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2-c2ccccc2)cc1 ZINC000004872353 207057152 /nfs/dbraw/zinc/05/71/52/207057152.db2.gz ABZIHPOQAJFNOC-UHFFFAOYSA-N -1 0 370.408 5.118 50 0 FKAARM O=C([O-])c1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000004902476 570878072 /nfs/dbraw/zinc/87/80/72/570878072.db2.gz OBHIEKGRLPRRLZ-UHFFFAOYSA-N -1 0 366.225 5.159 50 0 FKAARM Cc1cc(C)nc([N-]c2nc(-c3ccc(C4CCCCC4)cc3)cs2)n1 ZINC000004966326 570568502 /nfs/dbraw/zinc/56/85/02/570568502.db2.gz VOLWAUQQDGHTFP-UHFFFAOYSA-N -1 0 364.518 6.008 50 0 FKAARM O=C([O-])c1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004981652 204182085 /nfs/dbraw/zinc/18/20/85/204182085.db2.gz CXTLOVGPCQLXQE-UHFFFAOYSA-N -1 0 367.408 5.252 50 0 FKAARM Fc1ccc(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000004983701 207069695 /nfs/dbraw/zinc/06/96/95/207069695.db2.gz LEFFGYRHVQONJH-UHFFFAOYSA-N -1 0 363.889 5.190 50 0 FKAARM Cc1ccc(Nc2nc(-c3ccc(C)c(C)c3)c(CC(=O)[O-])s2)cc1 ZINC000005023172 570576169 /nfs/dbraw/zinc/57/61/69/570576169.db2.gz SVEUYCSLZGVDIO-UHFFFAOYSA-N -1 0 352.459 5.106 50 0 FKAARM Cc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1Cl ZINC000005023176 206189033 /nfs/dbraw/zinc/18/90/33/206189033.db2.gz SSCYSZKZJXPPMS-UHFFFAOYSA-N -1 0 358.850 5.143 50 0 FKAARM [O-]c1c(Cl)cc(Cl)cc1-c1cc(-c2ccc(Cl)cc2Cl)[nH]n1 ZINC000005025886 570576192 /nfs/dbraw/zinc/57/61/92/570576192.db2.gz XBRORZXUXLMORZ-UHFFFAOYSA-N -1 0 374.054 6.063 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Nc3cc(C)ccc3C)n2)c1[O-] ZINC000005029841 207074223 /nfs/dbraw/zinc/07/42/23/207074223.db2.gz CRGYJCRLYKWFHP-UHFFFAOYSA-N -1 0 371.440 5.371 50 0 FKAARM CC[C@@H](C)c1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000005047204 570579305 /nfs/dbraw/zinc/57/93/05/570579305.db2.gz CHLIXCRPZUFLQJ-MRXNPFEDSA-N -1 0 370.452 6.308 50 0 FKAARM CC[C@H](C)c1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000005047205 207074688 /nfs/dbraw/zinc/07/46/88/207074688.db2.gz CHLIXCRPZUFLQJ-INIZCTEOSA-N -1 0 370.452 6.308 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Nc3ccccc3C)n2)c1[O-] ZINC000005100876 207079975 /nfs/dbraw/zinc/07/99/75/207079975.db2.gz VGGZFNYSVRKYPO-UHFFFAOYSA-N -1 0 357.413 5.063 50 0 FKAARM COc1cc2nc([N-]c3nc4c(cc(C)cc4C)s3)sc2cc1OC ZINC000005122747 206189681 /nfs/dbraw/zinc/18/96/81/206189681.db2.gz BYTSVSYTQYGNSK-UHFFFAOYSA-N -1 0 371.487 5.284 50 0 FKAARM O=C([O-])c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000005125399 204192491 /nfs/dbraw/zinc/19/24/91/204192491.db2.gz FJLJZHZLKZABLY-UDFXALJUSA-N -1 0 368.436 5.406 50 0 FKAARM O=C([O-])c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000005125400 207081398 /nfs/dbraw/zinc/08/13/98/207081398.db2.gz FJLJZHZLKZABLY-RBNVVWFDSA-N -1 0 368.436 5.406 50 0 FKAARM O=C([O-])C/C(=C\c1ccc(Br)cc1)c1nc2ccccc2s1 ZINC000005130963 204192869 /nfs/dbraw/zinc/19/28/69/204192869.db2.gz SCBUWGCMZZCINH-FMIVXFBMSA-N -1 0 374.259 5.074 50 0 FKAARM O=C([O-])C/C(=C\c1cccc(Br)c1)c1nc2ccccc2s1 ZINC000005130980 204192738 /nfs/dbraw/zinc/19/27/38/204192738.db2.gz OEACPANAEXMQHM-XYOKQWHBSA-N -1 0 374.259 5.074 50 0 FKAARM O=C([O-])C/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 ZINC000005130992 204192664 /nfs/dbraw/zinc/19/26/64/204192664.db2.gz UMLDKBVPAYHPDP-FMIVXFBMSA-N -1 0 363.360 5.330 50 0 FKAARM O=C([O-])C/C(=C\c1ccccc1Br)c1nc2ccccc2s1 ZINC000005131025 210179134 /nfs/dbraw/zinc/17/91/34/210179134.db2.gz XOECAJWPOHOQNJ-FMIVXFBMSA-N -1 0 374.259 5.074 50 0 FKAARM CCOc1ccccc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000005131381 207082607 /nfs/dbraw/zinc/08/26/07/207082607.db2.gz WBFVGJNHPLGIHZ-FYWRMAATSA-N -1 0 353.443 5.100 50 0 FKAARM CCOc1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000005156077 570594366 /nfs/dbraw/zinc/59/43/66/570594366.db2.gz XMYVHNSVEZNTDW-UHFFFAOYSA-N -1 0 358.397 5.193 50 0 FKAARM CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c([O-])c2ccccc2oc1=O ZINC000005158566 210603244 /nfs/dbraw/zinc/60/32/44/210603244.db2.gz NJJDBBUWWOAOLD-CFBAGHHKSA-N -1 0 366.501 6.460 50 0 biogenic,in-vitro FKAARM Cc1ccc(Oc2c(C)nc(SCc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000005176631 263339410 /nfs/dbraw/zinc/33/94/10/263339410.db2.gz PZKHZPSFWDKRHW-UHFFFAOYSA-N -1 0 372.877 5.125 50 0 FKAARM CCOc1cccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000005215626 570635656 /nfs/dbraw/zinc/63/56/56/570635656.db2.gz XRRPJDZZSQAUNI-UHFFFAOYSA-N -1 0 358.397 5.193 50 0 FKAARM O=C([O-])CCCCCCCCCCCCCCCCCc1ccccc1 ZINC000005225594 571122107 /nfs/dbraw/zinc/12/21/07/571122107.db2.gz FVNFTAQJARARPD-UHFFFAOYSA-N -1 0 360.582 7.555 50 0 FKAARM CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2ccccn2)c(C(C)C)c1 ZINC000005231082 570638088 /nfs/dbraw/zinc/63/80/88/570638088.db2.gz NJDCLDIWMQPMTN-UHFFFAOYSA-N -1 0 360.523 5.253 50 0 FKAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(Cl)cc21 ZINC000005234066 207088838 /nfs/dbraw/zinc/08/88/38/207088838.db2.gz XEEZRXCULASWNV-UHFFFAOYSA-N -1 0 367.763 5.653 50 0 FKAARM O=C([O-])c1cc(-c2ccc(-c3ccc(F)c(Cl)c3)o2)nc2ccccc21 ZINC000005237256 207088946 /nfs/dbraw/zinc/08/89/46/207088946.db2.gz NGNLFJQXURWCQI-UHFFFAOYSA-N -1 0 367.763 5.653 50 0 FKAARM CCc1ccc2nc(-c3ccc(-c4ccc(F)cc4)o3)cc(C(=O)[O-])c2c1 ZINC000005237257 210608934 /nfs/dbraw/zinc/60/89/34/210608934.db2.gz TZJUTISNPLKPTN-UHFFFAOYSA-N -1 0 361.372 5.562 50 0 FKAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccc(-c4ccccc4Cl)o3)nc12 ZINC000005237260 570638662 /nfs/dbraw/zinc/63/86/62/570638662.db2.gz ZKASNBORJDANFW-UHFFFAOYSA-N -1 0 363.800 5.822 50 0 FKAARM CSc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1 ZINC000005261906 204199423 /nfs/dbraw/zinc/19/94/23/204199423.db2.gz KTZYGJJRQOEGNO-GORDUTHDSA-N -1 0 362.281 6.140 50 0 FKAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000005344397 570624112 /nfs/dbraw/zinc/62/41/12/570624112.db2.gz GDGRFVFYMJTMAH-ZDUSSCGKSA-N -1 0 357.620 5.088 50 0 FKAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000005344399 204204567 /nfs/dbraw/zinc/20/45/67/204204567.db2.gz GDGRFVFYMJTMAH-CYBMUJFWSA-N -1 0 357.620 5.088 50 0 FKAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000005344488 219672536 /nfs/dbraw/zinc/67/25/36/219672536.db2.gz SGCUTLVWIPUSFL-GFCCVEGCSA-N -1 0 357.620 5.088 50 0 FKAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000005344493 570624138 /nfs/dbraw/zinc/62/41/38/570624138.db2.gz SGCUTLVWIPUSFL-LBPRGKRZSA-N -1 0 357.620 5.088 50 0 FKAARM C[C@H](S[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21)C(=O)[O-] ZINC000005362428 570678619 /nfs/dbraw/zinc/67/86/19/570678619.db2.gz ZGDQIQWPOMIQEV-MGPLVRAMSA-N -1 0 350.892 5.295 50 0 FKAARM C[C@H](S[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21)C(=O)[O-] ZINC000005362430 570678427 /nfs/dbraw/zinc/67/84/27/570678427.db2.gz ZGDQIQWPOMIQEV-QFYYESIMSA-N -1 0 350.892 5.295 50 0 FKAARM C[C@@H](S[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21)C(=O)[O-] ZINC000005370596 570650460 /nfs/dbraw/zinc/65/04/60/570650460.db2.gz ZGDQIQWPOMIQEV-QLJPJBMISA-N -1 0 350.892 5.295 50 0 FKAARM C[C@@H](S[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21)C(=O)[O-] ZINC000005370597 570678566 /nfs/dbraw/zinc/67/85/66/570678566.db2.gz ZGDQIQWPOMIQEV-HWPZZCPQSA-N -1 0 350.892 5.295 50 0 FKAARM CC(C)c1c(Cl)c([O-])c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1 ZINC000005408170 207098134 /nfs/dbraw/zinc/09/81/34/207098134.db2.gz UEACYNBCJMLKEX-UHFFFAOYSA-N -1 0 357.812 5.126 50 0 aggregator FKAARM O=c1[nH]c2ccccc2c([O-])c1Sc1cc(Cl)c(Cl)cc1Cl ZINC000005409311 570626329 /nfs/dbraw/zinc/62/63/29/570626329.db2.gz FWPXUBAZTWDTMK-UHFFFAOYSA-N -1 0 372.660 5.345 50 0 FKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)o1 ZINC000005441698 571043370 /nfs/dbraw/zinc/04/33/70/571043370.db2.gz PFBOFCQINQFHFV-IBGZPJMESA-N -1 0 363.438 5.012 50 0 FKAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)o1 ZINC000005441844 206194892 /nfs/dbraw/zinc/19/48/92/206194892.db2.gz PFBOFCQINQFHFV-LJQANCHMSA-N -1 0 363.438 5.012 50 0 FKAARM CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])cc2oc1C(F)(F)F ZINC000005464250 207101987 /nfs/dbraw/zinc/10/19/87/207101987.db2.gz JKYKZEIZTUXOJA-UHFFFAOYSA-N -1 0 364.319 5.433 50 0 FKAARM CC(C)c1ccc(/C=C2\CCCc3c(C(=O)[O-])c4ccccc4nc32)cc1 ZINC000005481988 570628301 /nfs/dbraw/zinc/62/83/01/570628301.db2.gz FSOZVTNYHFAXNQ-NBVRZTHBSA-N -1 0 357.453 5.933 50 0 FKAARM Cc1cc(C)c(C)c(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)c1 ZINC000005488570 219683469 /nfs/dbraw/zinc/68/34/69/219683469.db2.gz MOHSPWUKZRVONR-UHFFFAOYSA-N -1 0 364.319 5.235 50 0 FKAARM Cc1cc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)ccc1Cl ZINC000005488855 570628211 /nfs/dbraw/zinc/62/82/11/570628211.db2.gz VYVHGNFEWBJZCK-UHFFFAOYSA-N -1 0 370.710 5.272 50 0 FKAARM O=C([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000005491464 570663445 /nfs/dbraw/zinc/66/34/45/570663445.db2.gz VTSJFENFSFNKJI-UHFFFAOYSA-N -1 0 374.827 5.762 50 0 FKAARM CC1=C(C)C[C@H](C(=O)NC2CCCCCCCCCCC2)[C@@H](C(=O)[O-])C1 ZINC000005523259 207104143 /nfs/dbraw/zinc/10/41/43/207104143.db2.gz JERUTSOCPMTFCI-PMACEKPBSA-N -1 0 363.542 5.223 50 0 FKAARM CC1=C(C)C[C@@H](C(=O)NC2CCCCCCCCCCC2)[C@H](C(=O)[O-])C1 ZINC000005523270 570667222 /nfs/dbraw/zinc/66/72/22/570667222.db2.gz JERUTSOCPMTFCI-WOJBJXKFSA-N -1 0 363.542 5.223 50 0 FKAARM CC1=C(C)C[C@H](C(=O)NC2CCCCCCCCCCC2)[C@H](C(=O)[O-])C1 ZINC000005523273 204212822 /nfs/dbraw/zinc/21/28/22/204212822.db2.gz JERUTSOCPMTFCI-VQTJNVASSA-N -1 0 363.542 5.223 50 0 FKAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1cccc2ccccc21 ZINC000005528461 207104082 /nfs/dbraw/zinc/10/40/82/207104082.db2.gz ZDCZVPAWKQQXKJ-UHFFFAOYSA-N -1 0 356.299 5.338 50 0 FKAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccc2ccccc2c1 ZINC000005528495 207104059 /nfs/dbraw/zinc/10/40/59/207104059.db2.gz KZNNWZSDMZYHIH-UHFFFAOYSA-N -1 0 372.298 5.463 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccc(C)cc3C)n2)c1[O-] ZINC000005557409 570671836 /nfs/dbraw/zinc/67/18/36/570671836.db2.gz CMMIYJCGZZQGJL-UHFFFAOYSA-N -1 0 372.424 5.420 50 0 FKAARM CCc1ccccc1Oc1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000005563009 207105898 /nfs/dbraw/zinc/10/58/98/207105898.db2.gz XPLIHFOJKBOPLX-UHFFFAOYSA-N -1 0 372.424 5.366 50 0 FKAARM CC(C)c1ccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005563555 204215703 /nfs/dbraw/zinc/21/57/03/204215703.db2.gz RIJDRQOXEUOTCZ-UHFFFAOYSA-N -1 0 364.319 5.433 50 0 FKAARM CCCc1ccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005564120 204215859 /nfs/dbraw/zinc/21/58/59/204215859.db2.gz ONLLAEZBWONQTC-UHFFFAOYSA-N -1 0 364.319 5.262 50 0 FKAARM CCc1ccc(Oc2nc(-c3cccc(OC)c3[O-])nc3ccccc32)cc1 ZINC000005572713 204215834 /nfs/dbraw/zinc/21/58/34/204215834.db2.gz KAKKHHDWTQOODV-UHFFFAOYSA-N -1 0 372.424 5.366 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Oc3ccccc3C)n2)c1[O-] ZINC000005575115 570676394 /nfs/dbraw/zinc/67/63/94/570676394.db2.gz VFFJGERRBIVGPP-UHFFFAOYSA-N -1 0 358.397 5.112 50 0 FKAARM CCc1cc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc2cc1[O-] ZINC000005576004 210630836 /nfs/dbraw/zinc/63/08/36/210630836.db2.gz AWCPQOLLTORCEF-UHFFFAOYSA-N -1 0 368.282 5.011 50 0 FKAARM CCc1cc2c(cc1[O-])occ(Oc1ccc(-c3ccccc3)cc1)c2=O ZINC000005576025 207106176 /nfs/dbraw/zinc/10/61/76/207106176.db2.gz LVHYFLNKKPTVQB-UHFFFAOYSA-N -1 0 358.393 5.520 50 0 FKAARM O=C([O-])c1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000005583847 207108143 /nfs/dbraw/zinc/10/81/43/207108143.db2.gz OUNUDPZGYFVTOB-UHFFFAOYSA-N -1 0 366.225 5.159 50 0 FKAARM Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)c(C(C)C)oc12 ZINC000005611626 263342442 /nfs/dbraw/zinc/34/24/42/263342442.db2.gz KVMWWRWHPMCQBQ-UHFFFAOYSA-N -1 0 351.427 5.207 50 0 FKAARM Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12 ZINC000005611636 263342493 /nfs/dbraw/zinc/34/24/93/263342493.db2.gz CIFWZTYGXNJILN-UHFFFAOYSA-N -1 0 354.711 5.146 50 0 FKAARM Cc1ccc(C)c(-c2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2-c2ccccc2)c1 ZINC000005634833 570683311 /nfs/dbraw/zinc/68/33/11/570683311.db2.gz DMDSBGUQEAKEGH-UHFFFAOYSA-N -1 0 368.436 5.726 50 0 FKAARM C[C@@H]1CC(C)(C)C[C@@](CC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)[O-])C1 ZINC000005662467 570769990 /nfs/dbraw/zinc/76/99/90/570769990.db2.gz XROBQVICXLWESG-ADLMAVQZSA-N -1 0 372.292 5.239 50 0 FKAARM C[C@@H]1CC(C)(C)C[C@](CC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)[O-])C1 ZINC000005662468 570769790 /nfs/dbraw/zinc/76/97/90/570769790.db2.gz XROBQVICXLWESG-ZMZPIMSZSA-N -1 0 372.292 5.239 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(Cl)c2)n1 ZINC000005671219 207110147 /nfs/dbraw/zinc/11/01/47/207110147.db2.gz FLKAZVJYCZPURB-UHFFFAOYSA-N -1 0 367.619 5.198 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000005675811 204220666 /nfs/dbraw/zinc/22/06/66/204220666.db2.gz NAUUAZLLMJXFJZ-UHFFFAOYSA-N -1 0 367.619 5.198 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000005675817 210635051 /nfs/dbraw/zinc/63/50/51/210635051.db2.gz RABRBKKFNGMOGY-UHFFFAOYSA-N -1 0 367.619 5.198 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000005675839 570807745 /nfs/dbraw/zinc/80/77/45/570807745.db2.gz ZKUNRAAFTSBVNR-UHFFFAOYSA-N -1 0 367.619 5.198 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000005676334 206240523 /nfs/dbraw/zinc/24/05/23/206240523.db2.gz LPBCRHYFZAJASI-UHFFFAOYSA-N -1 0 367.619 5.198 50 0 FKAARM O=C([O-])c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000005680037 570812474 /nfs/dbraw/zinc/81/24/74/570812474.db2.gz WBZADUUTMZIYAU-UHFFFAOYSA-N -1 0 367.619 5.198 50 0 FKAARM O=C([O-])c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2Cl)n1 ZINC000005680049 570633163 /nfs/dbraw/zinc/63/31/63/570633163.db2.gz XDDXXIAHWIDBET-UHFFFAOYSA-N -1 0 367.619 5.198 50 0 FKAARM O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccs1 ZINC000005681558 204221507 /nfs/dbraw/zinc/22/15/07/204221507.db2.gz QTNDRQJNZGBAGF-UHFFFAOYSA-N -1 0 373.543 5.017 50 0 FKAARM COc1cc(/C=C/C(=O)[O-])ccc1OCCCCSc1ccc(C)cc1 ZINC000005683683 204220532 /nfs/dbraw/zinc/22/05/32/204220532.db2.gz IOLNHRREQKGLSE-XYOKQWHBSA-N -1 0 372.486 5.053 50 0 FKAARM Cc1nc2ccccc2c(-c2ccccc2)c1Sc1ccccc1C(=O)[O-] ZINC000005689556 570815498 /nfs/dbraw/zinc/81/54/98/570815498.db2.gz KXEMHEXEXHXYKT-UHFFFAOYSA-N -1 0 371.461 6.060 50 0 FKAARM [O-]c1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc4c(c3)OCO4)nc12 ZINC000005694727 207112037 /nfs/dbraw/zinc/11/20/37/207112037.db2.gz SSLATJAKRCCSGL-HNQUOIGGSA-N -1 0 360.196 5.146 50 0 FKAARM C[C@H]1CC(C)(C)C[C@@](CC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)[O-])C1 ZINC000005696647 204221326 /nfs/dbraw/zinc/22/13/26/204221326.db2.gz XROBQVICXLWESG-BBATYDOGSA-N -1 0 372.292 5.239 50 0 FKAARM C[C@H]1CC(C)(C)C[C@](CC(=O)Nc2cc(Cl)cc(Cl)c2)(C(=O)[O-])C1 ZINC000005696648 219694863 /nfs/dbraw/zinc/69/48/63/219694863.db2.gz XROBQVICXLWESG-VOJFVSQTSA-N -1 0 372.292 5.239 50 0 FKAARM CCc1cc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2cc1[O-] ZINC000005791348 571112006 /nfs/dbraw/zinc/11/20/06/571112006.db2.gz ZTOVMYBLBUFYJJ-UHFFFAOYSA-N -1 0 368.738 5.400 50 0 FKAARM O=c1[nH]c2ccc(Cl)cc2c([O-])c1-c1ccc(Oc2ccccc2)cc1 ZINC000005819239 570636558 /nfs/dbraw/zinc/63/65/58/570636558.db2.gz ZZBPSVKOAMZSQI-UHFFFAOYSA-N -1 0 363.800 5.346 50 0 FKAARM CCCCCc1cc2c(c(O)c1C(=O)[O-])[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000005821119 210642617 /nfs/dbraw/zinc/64/26/17/210642617.db2.gz UCONUSSAWGCZMV-HZPDHXFCSA-N -1 0 358.478 5.434 50 0 biogenic,in-vitro FKAARM O=C([O-])CC/C(=C\c1cccc2ccccc12)c1nc2ccccc2s1 ZINC000005832699 207118616 /nfs/dbraw/zinc/11/86/16/207118616.db2.gz AKFHYEHRAQMEPB-SAPNQHFASA-N -1 0 359.450 5.855 50 0 FKAARM CC(C)Oc1ccccc1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000005858976 204227783 /nfs/dbraw/zinc/22/77/83/204227783.db2.gz QIBUPJYJYNFVEA-RVDMUPIBSA-N -1 0 353.443 5.099 50 0 FKAARM CCCCCC1CCC(c2ccc(NC(=O)CCCC(=O)[O-])cc2)CC1 ZINC000005860112 219703352 /nfs/dbraw/zinc/70/33/52/219703352.db2.gz YOEZYHKJHIIKDR-UHFFFAOYSA-N -1 0 359.510 5.734 50 0 FKAARM O=c1[nH]c2ccc(Oc3ccc(Cl)cc3)cc2c([O-])c1-c1ccccc1 ZINC000005888653 207121845 /nfs/dbraw/zinc/12/18/45/207121845.db2.gz BYTNSCACYXHZAG-UHFFFAOYSA-N -1 0 363.800 5.346 50 0 FKAARM CCc1cc2c(=O)c(-c3cc4ccccc4o3)c(C(F)(F)F)oc2cc1[O-] ZINC000005902644 206198669 /nfs/dbraw/zinc/19/86/69/206198669.db2.gz WCVFLQTZLGEKFQ-UHFFFAOYSA-N -1 0 374.314 5.493 50 0 FKAARM CCCc1cc2c(cc1[O-])oc(C)c(-c1nc3ccccc3s1)c2=O ZINC000005904264 571168042 /nfs/dbraw/zinc/16/80/42/571168042.db2.gz IPOZGXINOBNSMU-UHFFFAOYSA-N -1 0 351.427 5.036 50 0 FKAARM CC(C)COc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)cc1 ZINC000005908028 570638436 /nfs/dbraw/zinc/63/84/36/570638436.db2.gz WTPJSXWDSCIDFQ-UHFFFAOYSA-N -1 0 355.821 5.288 50 0 FKAARM CC(C)COc1cccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)c1 ZINC000005908077 207121894 /nfs/dbraw/zinc/12/18/94/207121894.db2.gz FHKCGZNVZOKXGM-UHFFFAOYSA-N -1 0 355.821 5.288 50 0 FKAARM COc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1O ZINC000005929850 571111856 /nfs/dbraw/zinc/11/18/56/571111856.db2.gz RSPLREVDPIWJNY-DUXPYHPUSA-N -1 0 362.212 5.132 50 0 FKAARM O=c1c(-c2ccc(Cl)c(Cl)c2)c[n-]n1-c1ccc(Cl)c(Cl)c1 ZINC000005944063 570639360 /nfs/dbraw/zinc/63/93/60/570639360.db2.gz KVMFWTXLJDOZIV-UHFFFAOYSA-N -1 0 374.054 5.446 50 0 FKAARM CCc1cc2c(cc1[O-])oc(C(C)C)c(-c1nc3ccccc3s1)c2=O ZINC000005967799 571169699 /nfs/dbraw/zinc/16/96/99/571169699.db2.gz XRAUJZYUIALXSM-UHFFFAOYSA-N -1 0 365.454 5.461 50 0 FKAARM CCCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000005978803 206240065 /nfs/dbraw/zinc/24/00/65/206240065.db2.gz BXJPOFDUWKMKRB-QINSGFPZSA-N -1 0 353.443 5.100 50 0 FKAARM CC[C@H](C)c1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)cc1 ZINC000005984838 207124863 /nfs/dbraw/zinc/12/48/63/207124863.db2.gz LIPSTZJOPWNOMD-LBPRGKRZSA-N -1 0 353.849 6.075 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006036223 204235341 /nfs/dbraw/zinc/23/53/41/204235341.db2.gz HIAJCGFYHIANNA-QIZZZRFXSA-N -1 0 374.565 5.427 50 0 endogenous,in-man FKAARM CCCCOc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)cc1 ZINC000006042729 204234615 /nfs/dbraw/zinc/23/46/15/204234615.db2.gz UHZXFDIKLFRUPJ-UHFFFAOYSA-N -1 0 355.821 5.432 50 0 FKAARM CCCCOc1cccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)c1 ZINC000006042749 204234685 /nfs/dbraw/zinc/23/46/85/204234685.db2.gz PVHARPPMEZZSJE-UHFFFAOYSA-N -1 0 355.821 5.432 50 0 FKAARM CC(C)Oc1ccccc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000006047673 210655053 /nfs/dbraw/zinc/65/50/53/210655053.db2.gz KAOQAOZXICWIGJ-SAPNQHFASA-N -1 0 373.452 5.597 50 0 FKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1c(F)cccc1F ZINC000006047770 207126738 /nfs/dbraw/zinc/12/67/38/207126738.db2.gz PABPUWGNOHOHEL-VAWYXSNFSA-N -1 0 351.352 5.088 50 0 FKAARM O=C([O-])C/C(=C\c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000006047775 207126870 /nfs/dbraw/zinc/12/68/70/207126870.db2.gz XMXKKWADIJQJPY-XYOKQWHBSA-N -1 0 363.360 5.330 50 0 FKAARM CCOc1ccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)c(OCC)c1 ZINC000006047844 204234666 /nfs/dbraw/zinc/23/46/66/204234666.db2.gz FYBKEUMHOZVPJP-UHFFFAOYSA-N -1 0 365.429 5.014 50 0 FKAARM O=C([O-])CS/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000006238089 570643916 /nfs/dbraw/zinc/64/39/16/570643916.db2.gz SJXDQMWDPIXDIZ-DHDCSXOGSA-N -1 0 361.875 5.266 50 0 FKAARM CCc1ccccc1-n1c(CC23CC4CC(CC(C4)C2)C3)n[n-]c1=S ZINC000006243735 570482986 /nfs/dbraw/zinc/48/29/86/570482986.db2.gz MVFXASZECJLJGC-UHFFFAOYSA-N -1 0 353.535 5.251 50 0 FKAARM O=C([O-])C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 ZINC000006252531 206201017 /nfs/dbraw/zinc/20/10/17/206201017.db2.gz IBWQADLJYPNBNY-RGEXLXHISA-N -1 0 371.461 5.979 50 0 FKAARM O=C([O-])CC/C(=C/c1cccc2ccccc12)c1nc2ccccc2s1 ZINC000006252852 207134339 /nfs/dbraw/zinc/13/43/39/207134339.db2.gz AKFHYEHRAQMEPB-VKAVYKQESA-N -1 0 359.450 5.855 50 0 FKAARM FC(F)(F)c1ccccc1-n1c(=S)[n-]nc1[C@@H]1C[C@H]1c1ccccc1 ZINC000006276952 204243026 /nfs/dbraw/zinc/24/30/26/204243026.db2.gz VUJAEUFYTOFJDK-QWHCGFSZSA-N -1 0 361.392 5.220 50 0 FKAARM O=C([O-])c1cc(-c2cccc(Br)c2)nc2ccc(Cl)cc21 ZINC000006330695 570645370 /nfs/dbraw/zinc/64/53/70/570645370.db2.gz UEYRXZBCYPCXSJ-UHFFFAOYSA-N -1 0 362.610 5.016 50 0 in-vitro FKAARM CC(=O)Nc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1 ZINC000006338968 570681049 /nfs/dbraw/zinc/68/10/49/570681049.db2.gz HWZNVAKGWZEAOT-QPJJXVBHSA-N -1 0 373.239 5.376 50 0 FKAARM O=C([O-])c1cc(/C=C/c2ccc(Br)cc2F)nc2ccccc21 ZINC000006345125 204245864 /nfs/dbraw/zinc/24/58/64/204245864.db2.gz WYBGLIWGLFEKIS-SOFGYWHQSA-N -1 0 372.193 5.005 50 0 FKAARM Cc1c([O-])ccc2c(=O)c(-c3ccc4ccccc4n3)c(C(F)(F)F)oc12 ZINC000006369998 571182911 /nfs/dbraw/zinc/18/29/11/571182911.db2.gz VWEZZULPILWJNN-UHFFFAOYSA-N -1 0 371.314 5.041 50 0 FKAARM O=C([O-])C/C(=C\c1ccccc1C(F)(F)F)c1nc2ccccc2s1 ZINC000006410767 203882405 /nfs/dbraw/zinc/88/24/05/203882405.db2.gz MQZTWPLJGRESND-FMIVXFBMSA-N -1 0 363.360 5.330 50 0 FKAARM Cc1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc(C)c1O ZINC000006429778 210180116 /nfs/dbraw/zinc/18/01/16/210180116.db2.gz FEBQPCMQFMTPMP-RVDMUPIBSA-N -1 0 353.443 5.024 50 0 FKAARM C[C@H](c1ccccc1C(=O)[O-])c1ccc(Br)c2ccccc21 ZINC000006443409 570646904 /nfs/dbraw/zinc/64/69/04/570646904.db2.gz GFWOBSUDGNGWGC-GFCCVEGCSA-N -1 0 355.231 5.452 50 0 FKAARM O=c1c2c3c(sc2[n-]c(=S)n1C1CCCCC1)-c1ccccc1CC3 ZINC000006460710 570647346 /nfs/dbraw/zinc/64/73/46/570647346.db2.gz ZKCQUWBWMZQRGC-UHFFFAOYSA-N -1 0 368.527 5.391 50 0 FKAARM COc1ccccc1/C=C1\C[C@H](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000006468435 207142564 /nfs/dbraw/zinc/14/25/64/207142564.db2.gz LVMJFZSQONUCBN-BXWAGETQSA-N -1 0 359.425 5.065 50 0 FKAARM COc1ccccc1/C=C1\C[C@@H](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000006469274 204249508 /nfs/dbraw/zinc/24/95/08/204249508.db2.gz LVMJFZSQONUCBN-LBFFYKKLSA-N -1 0 359.425 5.065 50 0 FKAARM CCCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@H](C(C)(C)CC)CC3 ZINC000006482233 204249408 /nfs/dbraw/zinc/24/94/08/204249408.db2.gz SJBVCJOSIQIGQV-LLVKDONJSA-N -1 0 350.553 5.072 50 0 FKAARM CCCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@@H](C(C)(C)CC)CC3 ZINC000006482235 570647756 /nfs/dbraw/zinc/64/77/56/570647756.db2.gz SJBVCJOSIQIGQV-NSHDSACASA-N -1 0 350.553 5.072 50 0 FKAARM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000006504393 204250618 /nfs/dbraw/zinc/25/06/18/204250618.db2.gz XAHOPCMASGRTIR-UHFFFAOYSA-N -1 0 373.861 5.242 50 0 FKAARM Cc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc(C)c1O ZINC000006508947 204250508 /nfs/dbraw/zinc/25/05/08/204250508.db2.gz MNPMYZWHQOHSDC-ONEGZZNKSA-N -1 0 360.240 5.740 50 0 FKAARM O=c1c2c(-c3ccccc3)csc2[n-]c(=S)n1CCc1ccccc1 ZINC000006537687 570648683 /nfs/dbraw/zinc/64/86/83/570648683.db2.gz NMTKLFPPZHWUHK-UHFFFAOYSA-N -1 0 364.495 5.030 50 0 FKAARM O=c1c2c(-c3cccs3)csc2[n-]c(=S)n1CCc1ccccc1 ZINC000006537691 570648643 /nfs/dbraw/zinc/64/86/43/570648643.db2.gz PTFMKHKGHZNEGU-UHFFFAOYSA-N -1 0 370.524 5.092 50 0 FKAARM CC(C)Oc1ccccc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000006538775 207145261 /nfs/dbraw/zinc/14/52/61/207145261.db2.gz MVLLUTCCBIJIHF-DTQAZKPQSA-N -1 0 367.470 5.489 50 0 FKAARM O=C([O-])COc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000006598081 210681165 /nfs/dbraw/zinc/68/11/65/210681165.db2.gz AXPLIQRGKWYNOZ-MDWZMJQESA-N -1 0 371.392 5.129 50 0 FKAARM CCCc1ccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)cc1 ZINC000006636493 571238028 /nfs/dbraw/zinc/23/80/28/571238028.db2.gz GZTZSBKBKAEMEG-UHFFFAOYSA-N -1 0 370.246 5.315 50 0 FKAARM [O-]c1ccc(Cl)cc1C1=Nc2ccccc2N=C(c2ccc(F)cc2)C1 ZINC000006720720 571243566 /nfs/dbraw/zinc/24/35/66/571243566.db2.gz QRGSVUQCMHTOCE-UHFFFAOYSA-N -1 0 364.807 5.830 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cccc(Cl)c1Cl)CC2 ZINC000006786638 210700524 /nfs/dbraw/zinc/70/05/24/210700524.db2.gz YPZREUAGMVGHIG-ZRDIBKRKSA-N -1 0 370.235 5.727 50 0 FKAARM O=C([O-])c1cc(-c2cccc(Cl)c2)nc2cc(Br)ccc21 ZINC000006862036 571251173 /nfs/dbraw/zinc/25/11/73/571251173.db2.gz ZIRWXLYTCDPYKF-UHFFFAOYSA-N -1 0 362.610 5.016 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)s2)nc2cccc(Br)c21 ZINC000006884022 571253052 /nfs/dbraw/zinc/25/30/52/571253052.db2.gz JFEQJJADWQGBOJ-UHFFFAOYSA-N -1 0 368.639 5.077 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)s2)nc2cc(Br)ccc21 ZINC000006884043 571253049 /nfs/dbraw/zinc/25/30/49/571253049.db2.gz VIQAVQZMZOODBA-UHFFFAOYSA-N -1 0 368.639 5.077 50 0 FKAARM O=C([O-])COc1ccc(/C=C/c2nc3c(ccc4ccccc34)s2)cc1 ZINC000006886034 571253027 /nfs/dbraw/zinc/25/30/27/571253027.db2.gz LWONDQGEXFONDS-KPKJPENVSA-N -1 0 361.422 5.083 50 0 FKAARM O=C([O-])C/C(=C\c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 ZINC000006886140 204279768 /nfs/dbraw/zinc/27/97/68/204279768.db2.gz BTZCNXDJNPDJQU-YRNVUSSQSA-N -1 0 364.253 5.618 50 0 FKAARM COc1ccc2cc(/C=C(\CC(=O)[O-])c3nc4ccccc4o3)ccc2c1 ZINC000007001014 219786447 /nfs/dbraw/zinc/78/64/47/219786447.db2.gz SZLFUUPKONJKNE-GZTJUZNOSA-N -1 0 359.381 5.005 50 0 FKAARM CCc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000007026814 219788777 /nfs/dbraw/zinc/78/87/77/219788777.db2.gz BIOSDBVWBRYQTB-JZBMNUFDSA-N -1 0 357.453 5.618 50 0 FKAARM CCc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000007026815 207184568 /nfs/dbraw/zinc/18/45/68/207184568.db2.gz BIOSDBVWBRYQTB-LWFDYCOSSA-N -1 0 357.453 5.618 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccccc1C(F)(F)F)CC2 ZINC000007141288 207188793 /nfs/dbraw/zinc/18/87/93/207188793.db2.gz MTWBPBAXDQYNQU-ACCUITESSA-N -1 0 369.342 5.439 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cccc3ccccc13)CC2 ZINC000007157117 204290629 /nfs/dbraw/zinc/29/06/29/204290629.db2.gz LDEWNARIPXMOHU-SAPNQHFASA-N -1 0 351.405 5.573 50 0 FKAARM CSc1ccc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000007336302 219801071 /nfs/dbraw/zinc/80/10/71/219801071.db2.gz HRUSWVQJFXRBEK-FYWRMAATSA-N -1 0 369.511 5.814 50 0 FKAARM COc1ccccc1/C=C(\CCCC(=O)[O-])c1nc2ccccc2s1 ZINC000007336314 219801509 /nfs/dbraw/zinc/80/15/09/219801509.db2.gz NCSSYAYDEXZUKO-FYWRMAATSA-N -1 0 353.443 5.100 50 0 FKAARM Cc1cc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc(C)c1O ZINC000007336343 571264541 /nfs/dbraw/zinc/26/45/41/571264541.db2.gz NUOIHOUMRCULBO-FOWTUZBSSA-N -1 0 367.470 5.414 50 0 FKAARM CSc1ccc2nc([N-]c3nc4c(cccc4Cl)s3)sc2c1 ZINC000007447246 571265789 /nfs/dbraw/zinc/26/57/89/571265789.db2.gz YGAFFZRKFMDTNJ-UHFFFAOYSA-N -1 0 363.920 6.025 50 0 FKAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1cccc2ccccc21 ZINC000007604041 219810119 /nfs/dbraw/zinc/81/01/19/219810119.db2.gz JMVNLQHOPPWSRK-UHFFFAOYSA-N -1 0 356.805 5.169 50 0 FKAARM O=C([O-])COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1 ZINC000007847028 210127776 /nfs/dbraw/zinc/12/77/76/210127776.db2.gz PUCPTDUYLUSXOT-UHFFFAOYSA-N -1 0 355.393 5.032 50 0 FKAARM Cc1cccc(/N=c2\oc3cc([O-])ccc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000008656896 204337608 /nfs/dbraw/zinc/33/76/08/204337608.db2.gz FDTAOEADGGRHAC-VHXPQNKSSA-N -1 0 367.408 5.223 50 0 FKAARM Cc1ccccc1/N=c1\oc2cc([O-])ccc2cc1-c1nc2ccccc2[nH]1 ZINC000008717073 207243390 /nfs/dbraw/zinc/24/33/90/207243390.db2.gz PJDNUEWJHXNNDP-RWEWTDSWSA-N -1 0 367.408 5.223 50 0 FKAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1 ZINC000008782184 204346540 /nfs/dbraw/zinc/34/65/40/204346540.db2.gz PPSQPHBZQDBWHU-FOCLMDBBSA-N -1 0 372.468 5.685 50 0 FKAARM Cc1ccc(-c2nc3ccccc3c(Nc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000009348657 570694532 /nfs/dbraw/zinc/69/45/32/570694532.db2.gz FAPUKHLIKVDLOP-UHFFFAOYSA-N -1 0 355.397 5.047 50 0 FKAARM Cc1cccc(-c2nc3ccccc3c(Nc3cccc(C(=O)[O-])c3)n2)c1 ZINC000009361204 210830653 /nfs/dbraw/zinc/83/06/53/210830653.db2.gz SBMAZNOMVDJKNE-UHFFFAOYSA-N -1 0 355.397 5.047 50 0 FKAARM O=c1[n-]c(-c2ccccc2)nc(SCc2ccccc2)c1C(F)(F)F ZINC000009461604 571110054 /nfs/dbraw/zinc/11/00/54/571110054.db2.gz XMCOBXDFCGWJRF-UHFFFAOYSA-N -1 0 362.376 5.160 50 0 FKAARM Cc1[n-]n2c(nc(C)c(Cc3ccc(C(C)C)cc3)c2=O)c1-c1ccccc1 ZINC000009698357 207282541 /nfs/dbraw/zinc/28/25/41/207282541.db2.gz HWBONPWOJOSTNW-UHFFFAOYSA-N -1 0 371.484 5.021 50 0 FKAARM Cc1ccccc1NCc1cn(-c2ccc(C(=O)[O-])s2)c2ccccc12 ZINC000009740928 219885513 /nfs/dbraw/zinc/88/55/13/219885513.db2.gz CPQFCQAWXQPPIQ-UHFFFAOYSA-N -1 0 362.454 5.311 50 0 FKAARM CSc1ccc2nc([N-]c3nnc(-c4ccccc4Cl)o3)sc2c1 ZINC000010069045 210343728 /nfs/dbraw/zinc/34/37/28/210343728.db2.gz MZKAPOTVBAFIOS-UHFFFAOYSA-N -1 0 374.878 5.465 50 0 FKAARM O=c1[nH]c2cc(Cl)ccc2c([O-])c1-c1ccc(Oc2ccccc2)cc1 ZINC000011363967 518203161 /nfs/dbraw/zinc/20/31/61/518203161.db2.gz PDJGPBAMXFVBLT-UHFFFAOYSA-N -1 0 363.800 5.346 50 0 FKAARM Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)[O-])c3C)o2)cc1 ZINC000011689792 219926674 /nfs/dbraw/zinc/92/66/74/219926674.db2.gz FSDLVCUBYCLPJZ-UHFFFAOYSA-N -1 0 361.372 5.616 50 0 FKAARM Cc1c(-c2ccc(-c3ccccc3F)o2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000011690121 219927098 /nfs/dbraw/zinc/92/70/98/219927098.db2.gz PHCZQUNFVDSOKJ-UHFFFAOYSA-N -1 0 365.335 5.447 50 0 FKAARM CCCCCCc1cc2c(=O)c(-c3ccc(Cl)cc3)coc2cc1[O-] ZINC000011847619 207325233 /nfs/dbraw/zinc/32/52/33/207325233.db2.gz HXOAPTMXQFKTGP-UHFFFAOYSA-N -1 0 356.849 5.942 50 0 FKAARM CCCCCCc1cc2c(cc1[O-])occ(-c1nc3ccccc3[nH]1)c2=O ZINC000011867608 571322132 /nfs/dbraw/zinc/32/21/32/571322132.db2.gz KXSRNGWRFUJMGE-UHFFFAOYSA-N -1 0 362.429 5.165 50 0 FKAARM O=C([O-])[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 ZINC000012249693 207351771 /nfs/dbraw/zinc/35/17/71/207351771.db2.gz FQIXXCWQCRXWEY-FQEVSTJZSA-N -1 0 372.449 5.215 50 0 FKAARM O=C([O-])[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 ZINC000012249694 567849309 /nfs/dbraw/zinc/84/93/09/567849309.db2.gz FQIXXCWQCRXWEY-HXUWFJFHSA-N -1 0 372.449 5.215 50 0 FKAARM [O-]c1ccccc1-c1nc(/C=C/c2cccs2)nc(-c2ccccc2)n1 ZINC000012408780 570742981 /nfs/dbraw/zinc/74/29/81/570742981.db2.gz FIDYBXRQLVDVKK-OUKQBFOZSA-N -1 0 357.438 5.143 50 0 FKAARM CCCOc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000012549267 207392403 /nfs/dbraw/zinc/39/24/03/207392403.db2.gz QTDBDWGWYAFWPI-JQIJEIRASA-N -1 0 367.470 5.491 50 0 FKAARM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000012557208 571181342 /nfs/dbraw/zinc/18/13/42/571181342.db2.gz LDKMYCRZMGPQGU-UHFFFAOYSA-N -1 0 358.290 5.226 50 0 FKAARM Cc1ccc(C(=O)[O-])cc1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000012600141 210975786 /nfs/dbraw/zinc/97/57/86/210975786.db2.gz IDDZYNJJCZHYLS-UHFFFAOYSA-N -1 0 361.426 5.109 50 0 FKAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Cl)s1 ZINC000012602964 207402515 /nfs/dbraw/zinc/40/25/15/207402515.db2.gz NGNYLDIUFQEBBV-UHFFFAOYSA-N -1 0 363.847 5.081 50 0 FKAARM O=C([O-])C/C(=C/c1cccc(Br)c1)c1nc2ccccc2s1 ZINC000012762268 207417405 /nfs/dbraw/zinc/41/74/05/207417405.db2.gz OEACPANAEXMQHM-WQLSENKSSA-N -1 0 374.259 5.074 50 0 FKAARM Cc1cc(-c2csc(-c3ccsc3)n2)c(C)n1CCCCCC(=O)[O-] ZINC000012896914 220039730 /nfs/dbraw/zinc/03/97/30/220039730.db2.gz LCSQZAQXIXGZFY-UHFFFAOYSA-N -1 0 374.531 5.602 50 0 FKAARM COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)ccc1O ZINC000013056759 204520854 /nfs/dbraw/zinc/52/08/54/204520854.db2.gz HCFGJZXDCSIFNB-DUXPYHPUSA-N -1 0 362.212 5.132 50 0 FKAARM Cc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc(C)c1OC(F)F ZINC000013096652 206299712 /nfs/dbraw/zinc/29/97/12/206299712.db2.gz HGGZTMZIYZWRNC-BQYQJAHWSA-N -1 0 369.367 5.322 50 0 FKAARM Cc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1 ZINC000013123255 570773981 /nfs/dbraw/zinc/77/39/81/570773981.db2.gz JLUXSGBUZHLOLL-UHFFFAOYSA-N -1 0 362.326 5.182 50 0 FKAARM COc1cccc(-c2nc3ccccc3c(Oc3cccc(C)c3)n2)c1[O-] ZINC000013125489 211025184 /nfs/dbraw/zinc/02/51/84/211025184.db2.gz XRAKBMTXMWEHGU-UHFFFAOYSA-N -1 0 358.397 5.112 50 0 FKAARM O=C([O-])c1cc(NN=Cc2ccc(-c3ccccc3)cc2)ccc1Cl ZINC000013147061 571258374 /nfs/dbraw/zinc/25/83/74/571258374.db2.gz RGQSZFCJTLRELQ-UHFFFAOYSA-N -1 0 350.805 5.151 50 0 FKAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000013167554 211025872 /nfs/dbraw/zinc/02/58/72/211025872.db2.gz HYXZWQNYPNMAOC-UHFFFAOYSA-N -1 0 367.788 5.083 50 0 FKAARM CCCCCc1cc2c(c(O)c1C(=O)[O-])C=C[C@](C)(CCC=C(C)C)O2 ZINC000013382957 560216036 /nfs/dbraw/zinc/21/60/36/560216036.db2.gz HRHJHXJQMNWQTF-QFIPXVFZSA-N -1 0 358.478 5.734 50 0 in-vitro FKAARM CC(=O)OCC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H](C)CC(=O)[O-] ZINC000013402357 220066934 /nfs/dbraw/zinc/06/69/34/220066934.db2.gz QSEIUMVWJJWZJP-UBPXTSFGSA-N -1 0 364.526 5.219 50 0 biogenic,in-vitro FKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013407498 570777491 /nfs/dbraw/zinc/77/74/91/570777491.db2.gz KIQFUORWRVZTHT-DYUJYPRASA-N -1 0 374.565 5.715 50 0 FKAARM CC(C)(C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4O)[C@@H]3CC[C@H]2C1 ZINC000013408867 570777481 /nfs/dbraw/zinc/77/74/81/570777481.db2.gz OLFAUBNLGRKABZ-OEQVYJHJSA-N -1 0 360.538 5.037 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000013409175 571308067 /nfs/dbraw/zinc/30/80/67/571308067.db2.gz BESWZNZZPZNJEO-GVJRVEROSA-N -1 0 358.566 6.312 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013409206 570777429 /nfs/dbraw/zinc/77/74/29/570777429.db2.gz ZKGCEXPUCJDWMB-PNDVPBSBSA-N -1 0 374.565 5.715 50 0 FKAARM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NOCCO ZINC000013685181 220085364 /nfs/dbraw/zinc/08/53/64/220085364.db2.gz ANMKTCMIIFBOGG-DOFZRALJSA-N -1 0 363.542 5.172 50 0 in-vivo FKAARM O=C(c1cc(-c2ccccc2)c2nc3ccccc3n2c1)c1ccccc1[O-] ZINC000014013520 211067797 /nfs/dbraw/zinc/06/77/97/211067797.db2.gz BMTBBECFTUSXIB-UHFFFAOYSA-N -1 0 364.404 5.091 50 0 FKAARM CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)c(C(=O)[O-])c1O ZINC000015263967 220150759 /nfs/dbraw/zinc/15/07/59/220150759.db2.gz QPIZDZGIXDKCRC-JTCWOHKRSA-N -1 0 372.505 6.066 50 0 in-vitro FKAARM CCOc1ccc2ncc3c(sc(C(=O)[O-])c3-c3ccc(C)cc3)c2c1 ZINC000015828856 220166117 /nfs/dbraw/zinc/16/61/17/220166117.db2.gz IFHJMKQFLCLPSB-UHFFFAOYSA-N -1 0 363.438 5.522 50 0 FKAARM O=C([O-])c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccc(F)cc1 ZINC000015828858 571129974 /nfs/dbraw/zinc/12/99/74/571129974.db2.gz WQECGAFPVWWENC-UHFFFAOYSA-N -1 0 357.793 5.607 50 0 FKAARM CCc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)[O-])cc1 ZINC000015828899 204622113 /nfs/dbraw/zinc/62/21/13/204622113.db2.gz QLKVRUJSZFDILP-UHFFFAOYSA-N -1 0 367.857 6.031 50 0 FKAARM COc1ccc(-c2c3cnc4c(F)cc(F)cc4c3sc2C(=O)[O-])cc1 ZINC000015828945 211144813 /nfs/dbraw/zinc/14/48/13/211144813.db2.gz SPBYFFCPBSPNHA-UHFFFAOYSA-N -1 0 371.364 5.102 50 0 FKAARM CCCOc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000016044923 211153856 /nfs/dbraw/zinc/15/38/56/211153856.db2.gz BXJPOFDUWKMKRB-NTCAYCPXSA-N -1 0 353.443 5.100 50 0 FKAARM CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)[O-] ZINC000016698261 220191395 /nfs/dbraw/zinc/19/13/95/220191395.db2.gz WDUQJXKBWRNMKI-UHFFFAOYSA-N -1 0 370.574 6.654 50 0 FKAARM O=c1c2c3c(sc2[n-]c(=S)n1CCC1=CCCCC1)CCCCC3 ZINC000017074329 570867034 /nfs/dbraw/zinc/86/70/34/570867034.db2.gz MKBJFQFWXJTCRW-UHFFFAOYSA-N -1 0 360.548 5.280 50 0 FKAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(CCC4=CCCCC4)c(=O)c23)C1 ZINC000017074330 220203731 /nfs/dbraw/zinc/20/37/31/220203731.db2.gz QBUPAKNNNWEFTM-GFCCVEGCSA-N -1 0 360.548 5.136 50 0 FKAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(CCC4=CCCCC4)c(=O)c23)C1 ZINC000017074331 211178083 /nfs/dbraw/zinc/17/80/83/211178083.db2.gz QBUPAKNNNWEFTM-LBPRGKRZSA-N -1 0 360.548 5.136 50 0 FKAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1CCc1ccccc1 ZINC000017074971 570866944 /nfs/dbraw/zinc/86/69/44/570866944.db2.gz QBVYRWDTLRSUHT-UHFFFAOYSA-N -1 0 364.495 5.030 50 0 FKAARM Cc1ccc(Cn2c(=O)c3cc(-c4ccccc4)sc3[n-]c2=S)cc1 ZINC000017074972 570866954 /nfs/dbraw/zinc/86/69/54/570866954.db2.gz NOWKJFDHGNMPML-UHFFFAOYSA-N -1 0 364.495 5.144 50 0 FKAARM O=c1c2c3c(sc2[n-]c(=S)n1CCCc1ccccc1)CCCCC3 ZINC000017076001 211179467 /nfs/dbraw/zinc/17/94/67/211179467.db2.gz ZSOWZKKJMXWNDS-UHFFFAOYSA-N -1 0 370.543 5.022 50 0 FKAARM CCc1cc2c([n-]c(=S)n(Cc3ccc(Cl)c(Cl)c3)c2=O)s1 ZINC000017076054 570867753 /nfs/dbraw/zinc/86/77/53/570867753.db2.gz XPLSGRBRSWBOFG-UHFFFAOYSA-N -1 0 371.314 5.038 50 0 FKAARM O=c1c2ccccc2[n-]c(=S)n1CCC(c1ccccc1)c1ccccc1 ZINC000017076333 570867777 /nfs/dbraw/zinc/86/77/77/570867777.db2.gz FOLAQGAMETVQSJ-UHFFFAOYSA-N -1 0 372.493 5.281 50 0 FKAARM Cc1c(Cl)cccc1Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000017194815 211180481 /nfs/dbraw/zinc/18/04/81/211180481.db2.gz CZGGVGSLMDEFEM-UHFFFAOYSA-N -1 0 361.832 5.708 50 0 FKAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2cccc3ccccc32)n1 ZINC000017195303 220209961 /nfs/dbraw/zinc/20/99/61/220209961.db2.gz NIBQFDYASDVPDJ-UHFFFAOYSA-N -1 0 363.420 5.899 50 0 FKAARM O=C([O-])c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)ccc1Cl ZINC000018194149 263373299 /nfs/dbraw/zinc/37/32/99/263373299.db2.gz WJSPDPFHASVIAE-UHFFFAOYSA-N -1 0 367.788 5.083 50 0 FKAARM Cc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccccc1 ZINC000018222466 220228877 /nfs/dbraw/zinc/22/88/77/220228877.db2.gz BGDHWIBPXGHSFX-UHFFFAOYSA-N -1 0 361.470 5.011 50 0 FKAARM COc1ccc(C)cc1Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000018245974 570816153 /nfs/dbraw/zinc/81/61/53/570816153.db2.gz HWDYBGKZMUDUKN-UHFFFAOYSA-N -1 0 357.413 5.063 50 0 FKAARM O=C([O-])c1ccccc1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000019625425 570896319 /nfs/dbraw/zinc/89/63/19/570896319.db2.gz NRRWFNBGKYTBSE-IBGZPJMESA-N -1 0 354.858 5.920 50 0 FKAARM O=C([O-])c1ccccc1S[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000019625430 570896198 /nfs/dbraw/zinc/89/61/98/570896198.db2.gz NRRWFNBGKYTBSE-LJQANCHMSA-N -1 0 354.858 5.920 50 0 FKAARM CCCOc1ccc(Nc2c(C(=O)[O-])cnc3ccc(Cl)cc32)cc1 ZINC000019793873 220296542 /nfs/dbraw/zinc/29/65/42/220296542.db2.gz BNKBQKHHAGTZRN-UHFFFAOYSA-N -1 0 356.809 5.119 50 0 FKAARM CCc1ccc2oc(-c3ccccc3)c/c(=N\CCCCCC(=O)[O-])c2c1 ZINC000019793962 524060814 /nfs/dbraw/zinc/06/08/14/524060814.db2.gz RDYPPYQFTPMEOJ-HIXSDJFHSA-N -1 0 363.457 5.208 50 0 FKAARM CCc1ccc2oc(-c3ccc(Cl)cc3)c/c(=N\CCCC(=O)[O-])c2c1 ZINC000019793967 571327310 /nfs/dbraw/zinc/32/73/10/571327310.db2.gz ICTMCECMRHSIDQ-PTGBLXJZSA-N -1 0 369.848 5.081 50 0 FKAARM CC(C)Cc1ccc(-c2nnc(SCCC(=O)[O-])c3ccccc32)cc1 ZINC000019862924 571308195 /nfs/dbraw/zinc/30/81/95/571308195.db2.gz FHAWCAXTTRZPIO-UHFFFAOYSA-N -1 0 366.486 5.062 50 0 FKAARM Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12 ZINC000019893081 571308264 /nfs/dbraw/zinc/30/82/64/571308264.db2.gz QVPKBMFZUWVVBU-UHFFFAOYSA-N -1 0 370.710 5.272 50 0 FKAARM Cc1ccc2oc(-c3ccccc3)c/c(=N\[C@@H](C(=O)[O-])c3ccccc3)c2c1 ZINC000019911638 571327774 /nfs/dbraw/zinc/32/77/74/571327774.db2.gz CMZFMOKRNSWWPW-JHZJBCQPSA-N -1 0 369.420 5.135 50 0 FKAARM Cc1ccc2oc(-c3ccccc3)c/c(=N\[C@H](C(=O)[O-])c3ccccc3)c2c1 ZINC000019911641 206328558 /nfs/dbraw/zinc/32/85/58/206328558.db2.gz CMZFMOKRNSWWPW-BJHAJFLLSA-N -1 0 369.420 5.135 50 0 FKAARM Cc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(C(=O)[O-])cc3)c2c1 ZINC000019911645 524087283 /nfs/dbraw/zinc/08/72/83/524087283.db2.gz CTBFTWUEPVEZKS-HIXSDJFHSA-N -1 0 355.393 5.339 50 0 FKAARM Cc1ccc2oc(-c3ccccc3)c/c(=N\c3cccc(C(=O)[O-])c3)c2c1 ZINC000019911648 571327754 /nfs/dbraw/zinc/32/77/54/571327754.db2.gz GNSJFRHSBQWGKA-HIXSDJFHSA-N -1 0 355.393 5.339 50 0 FKAARM Cc1sc2ncnc(Nc3cccc(C(=O)[O-])c3)c2c1-c1ccccc1 ZINC000020272603 571328692 /nfs/dbraw/zinc/32/86/92/571328692.db2.gz AUJDLGWTNPBCBU-UHFFFAOYSA-N -1 0 361.426 5.109 50 0 FKAARM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)[O-])C1 ZINC000020333662 220322452 /nfs/dbraw/zinc/32/24/52/220322452.db2.gz OEFUSNBYAQUARV-GFCCVEGCSA-N -1 0 371.502 5.121 50 0 FKAARM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)[O-])C1 ZINC000020333665 220322147 /nfs/dbraw/zinc/32/21/47/220322147.db2.gz OEFUSNBYAQUARV-LBPRGKRZSA-N -1 0 371.502 5.121 50 0 FKAARM CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)cc1 ZINC000020334852 220322498 /nfs/dbraw/zinc/32/24/98/220322498.db2.gz TVRDZIPGEUWFQJ-UHFFFAOYSA-N -1 0 371.502 5.265 50 0 FKAARM CC(C)c1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000020492233 571329899 /nfs/dbraw/zinc/32/98/99/571329899.db2.gz SNOGBGZWBWYHMQ-UHFFFAOYSA-N -1 0 357.413 5.114 50 0 FKAARM Cc1ccc(-c2[nH]nc3nc(-c4ccc(C(C)C)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492241 220329802 /nfs/dbraw/zinc/32/98/02/220329802.db2.gz JEOXWISVGSRZQK-UHFFFAOYSA-N -1 0 371.440 5.422 50 0 FKAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(CC)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492373 211283778 /nfs/dbraw/zinc/28/37/78/211283778.db2.gz YKURLGVKYWNXGZ-UHFFFAOYSA-N -1 0 371.440 5.115 50 0 FKAARM O=C([O-])c1cc(-c2cccc3ccccc32)nc2n[nH]c(-c3ccccc3)c21 ZINC000020849643 571331805 /nfs/dbraw/zinc/33/18/05/571331805.db2.gz MFUVXWSVIALICK-UHFFFAOYSA-N -1 0 365.392 5.143 50 0 FKAARM Cc1cccc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000021956200 570936192 /nfs/dbraw/zinc/93/61/92/570936192.db2.gz VHNWYAOIBBMQHU-FNORWQNLSA-N -1 0 368.230 5.174 50 0 FKAARM Cc1ccccc1/C=C/c1cc(C(=O)[O-])c2cc(Br)ccc2n1 ZINC000021959011 220372677 /nfs/dbraw/zinc/37/26/77/220372677.db2.gz DHHUOFDWNDPKDE-SOFGYWHQSA-N -1 0 368.230 5.174 50 0 FKAARM Cc1ccc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000021966991 220373084 /nfs/dbraw/zinc/37/30/84/220373084.db2.gz YLCAOBVTHNZCDA-SOFGYWHQSA-N -1 0 368.230 5.174 50 0 FKAARM COc1ccc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc1C ZINC000022135236 220377154 /nfs/dbraw/zinc/37/71/54/220377154.db2.gz YCLWEQZGZFBLDT-DTQAZKPQSA-N -1 0 367.470 5.409 50 0 FKAARM O=C([O-])c1cc(/C=C/c2ccc(F)cc2)nc2ccc(Br)cc21 ZINC000022145247 211340842 /nfs/dbraw/zinc/34/08/42/211340842.db2.gz UTBXUAKTXDJPAG-XVNBXDOJSA-N -1 0 372.193 5.005 50 0 FKAARM COc1c(C)cc(-c2ccc3nc(-c4cccc(F)c4[O-])oc3c2)cc1C ZINC000023433840 570540195 /nfs/dbraw/zinc/54/01/95/570540195.db2.gz CNDDPPRLLRVPFR-UHFFFAOYSA-N -1 0 363.388 5.632 50 0 FKAARM COc1ccc2cc(CSCc3ccc(C(=O)[O-])cc3)c(Cl)nc2c1 ZINC000025053897 570989589 /nfs/dbraw/zinc/98/95/89/570989589.db2.gz UJBAGSBOIRFBDU-UHFFFAOYSA-N -1 0 373.861 5.028 50 0 FKAARM CC(C)Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(Cl)cc3)n2)cc1 ZINC000025762974 571000076 /nfs/dbraw/zinc/00/00/76/571000076.db2.gz SRILFVNZEDFIDS-UHFFFAOYSA-N -1 0 354.837 5.089 50 0 FKAARM CC(C)Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccccc3Cl)n2)cc1 ZINC000025763228 571000140 /nfs/dbraw/zinc/00/01/40/571000140.db2.gz MDMTUMZCDMTAPL-UHFFFAOYSA-N -1 0 354.837 5.089 50 0 FKAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nn1-c1cccc(Cl)c1 ZINC000025763884 571000085 /nfs/dbraw/zinc/00/00/85/571000085.db2.gz GJENDLPZOYIVNO-UHFFFAOYSA-N -1 0 367.619 5.198 50 0 FKAARM CC(C)Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(F)c(Cl)c3)n2)cc1 ZINC000025763923 571000132 /nfs/dbraw/zinc/00/01/32/571000132.db2.gz VCZCFRRBQXGYIO-UHFFFAOYSA-N -1 0 372.827 5.229 50 0 FKAARM O=C([O-])c1ccc(CSc2nc(-c3ccc(Cl)cc3)cs2)o1 ZINC000026421258 571162886 /nfs/dbraw/zinc/16/28/86/571162886.db2.gz UKRLPEZBJHQEMC-UHFFFAOYSA-N -1 0 351.836 5.047 50 0 FKAARM O=C([O-])C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 ZINC000028495893 571339184 /nfs/dbraw/zinc/33/91/84/571339184.db2.gz UMLDKBVPAYHPDP-XFXZXTDPSA-N -1 0 363.360 5.330 50 0 FKAARM O=C([O-])C/C(=C/c1ccccc1C(F)(F)F)c1nc2ccccc2s1 ZINC000028495899 571032972 /nfs/dbraw/zinc/03/29/72/571032972.db2.gz MQZTWPLJGRESND-XFXZXTDPSA-N -1 0 363.360 5.330 50 0 FKAARM O=C([O-])C/C(=C/c1ccccc1Br)c1nc2ccccc2s1 ZINC000028495914 220576049 /nfs/dbraw/zinc/57/60/49/220576049.db2.gz XOECAJWPOHOQNJ-XFXZXTDPSA-N -1 0 374.259 5.074 50 0 FKAARM O=C([O-])[C@@H](Sc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000030822768 208006162 /nfs/dbraw/zinc/00/61/62/208006162.db2.gz DBJKLFCZVIKJET-HNNXBMFYSA-N -1 0 361.875 5.382 50 0 FKAARM O=C([O-])[C@H](Sc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000030822769 208005480 /nfs/dbraw/zinc/00/54/80/208005480.db2.gz DBJKLFCZVIKJET-OAHLLOKOSA-N -1 0 361.875 5.382 50 0 FKAARM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc(Cl)cc1Cl ZINC000030836198 571050538 /nfs/dbraw/zinc/05/05/38/571050538.db2.gz PJOPWGSJQUJHFI-UHFFFAOYSA-N -1 0 355.271 5.144 50 0 FKAARM CC(=O)OCC1=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)[O-] ZINC000031157823 560090622 /nfs/dbraw/zinc/09/06/22/560090622.db2.gz QSEIUMVWJJWZJP-VLGZMJLESA-N -1 0 364.526 5.219 50 0 biogenic,in-vitro FKAARM CC(=O)OCC1=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H](C)CC(=O)[O-] ZINC000031157828 560090601 /nfs/dbraw/zinc/09/06/01/560090601.db2.gz QSEIUMVWJJWZJP-XQAUGQPQSA-N -1 0 364.526 5.219 50 0 biogenic,in-vitro FKAARM CC(=O)OCC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)[O-] ZINC000031157833 560090629 /nfs/dbraw/zinc/09/06/29/560090629.db2.gz QSEIUMVWJJWZJP-NEFXFJPUSA-N -1 0 364.526 5.219 50 0 biogenic,in-vitro FKAARM CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/Cc1cc(C(=O)[O-])ccc1O ZINC000031164525 220634750 /nfs/dbraw/zinc/63/47/50/220634750.db2.gz LSQRGMPMJOCLHX-SISKGNFGSA-N -1 0 358.478 5.023 50 0 biogenic,in-vitro FKAARM CC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/Cc1cc(C(=O)[O-])ccc1O ZINC000031164529 560090344 /nfs/dbraw/zinc/09/03/44/560090344.db2.gz LSQRGMPMJOCLHX-JWJXVZORSA-N -1 0 358.478 5.023 50 0 biogenic,in-vitro FKAARM Cc1cc2ccccc2c2c1O[P@](=O)([O-])Oc1ccc3ccccc3c1-2 ZINC000032105848 571308509 /nfs/dbraw/zinc/30/85/09/571308509.db2.gz DVJDMTDFMGCFDV-UHFFFAOYSA-N -1 0 362.321 5.840 50 0 FKAARM O=C([O-])C/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2s1 ZINC000032642053 208035649 /nfs/dbraw/zinc/03/56/49/208035649.db2.gz VONZHZWFYGLTRL-XFFZJAGNSA-N -1 0 364.253 5.618 50 0 FKAARM O=C([O-])C/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 ZINC000032642057 263393757 /nfs/dbraw/zinc/39/37/57/263393757.db2.gz BTZCNXDJNPDJQU-XFFZJAGNSA-N -1 0 364.253 5.618 50 0 FKAARM O=C([O-])C/C(=C/c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000032642066 208035879 /nfs/dbraw/zinc/03/58/79/208035879.db2.gz XMXKKWADIJQJPY-WQLSENKSSA-N -1 0 363.360 5.330 50 0 FKAARM Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)[O-])o2)cc1 ZINC000032918823 571060384 /nfs/dbraw/zinc/06/03/84/571060384.db2.gz VOAUOXIPDMDMND-UHFFFAOYSA-N -1 0 350.418 5.322 50 0 FKAARM O=C([O-])c1cc(Sc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000032919746 208055696 /nfs/dbraw/zinc/05/56/96/208055696.db2.gz CGGSFLCKIJOGAK-UHFFFAOYSA-N -1 0 350.226 5.391 50 0 FKAARM CCOc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Cl)c1O ZINC000033087892 571154598 /nfs/dbraw/zinc/15/45/98/571154598.db2.gz MOOKENYEKIKXLH-JBYOLUDKSA-N -1 0 373.880 5.387 50 0 FKAARM Cc1cc(/C=C(\C(=O)[O-])c2cc(Cl)sc2Br)cs1 ZINC000033286959 571230093 /nfs/dbraw/zinc/23/00/93/571230093.db2.gz PRBFJJQGUBRBNQ-OQFOIZHKSA-N -1 0 363.685 5.159 50 0 FKAARM O=C([O-])/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000033341837 571185659 /nfs/dbraw/zinc/18/56/59/571185659.db2.gz ZJSNNXVCGBDALG-SFQUDFHCSA-N -1 0 369.214 5.334 50 0 FKAARM CC(C)Oc1ccccc1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000033404219 210246615 /nfs/dbraw/zinc/24/66/15/210246615.db2.gz QIBUPJYJYNFVEA-PTNGSMBKSA-N -1 0 353.443 5.099 50 0 FKAARM CC(C)CCOc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000033462966 208093119 /nfs/dbraw/zinc/09/31/19/208093119.db2.gz SNXGMVLUAWKUSA-LGMDPLHJSA-N -1 0 365.429 5.268 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cccc(Cl)c1Cl)CC2 ZINC000033502251 210244853 /nfs/dbraw/zinc/24/48/53/210244853.db2.gz YPZREUAGMVGHIG-BENRWUELSA-N -1 0 370.235 5.727 50 0 FKAARM CCOc1ccccc1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1 ZINC000033533515 210246759 /nfs/dbraw/zinc/24/67/59/210246759.db2.gz WBFVGJNHPLGIHZ-SQFISAMPSA-N -1 0 353.443 5.100 50 0 FKAARM O=C([O-])c1cc(/C=C\c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000033551194 220744581 /nfs/dbraw/zinc/74/45/81/220744581.db2.gz CNHHGLAWUZXGBT-QINSGFPZSA-N -1 0 351.405 5.770 50 0 FKAARM COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000033562121 220745775 /nfs/dbraw/zinc/74/57/75/220745775.db2.gz RAEVJWCABIVQLE-DSDLTIFZSA-N -1 0 359.425 5.065 50 0 FKAARM CCc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000033562144 204972301 /nfs/dbraw/zinc/97/23/01/204972301.db2.gz BIOSDBVWBRYQTB-SULWINFOSA-N -1 0 357.453 5.618 50 0 FKAARM [O-]c1c(Cl)cc(Cl)c2ccc(/C=C\c3ccc4c(c3)OCO4)nc12 ZINC000033579625 204971885 /nfs/dbraw/zinc/97/18/85/204971885.db2.gz SSLATJAKRCCSGL-IWQZZHSRSA-N -1 0 360.196 5.146 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc(Cl)c(Cl)c1)CC2 ZINC000033627292 571185528 /nfs/dbraw/zinc/18/55/28/571185528.db2.gz SUQNGDIEEBYGGF-XFXZXTDPSA-N -1 0 370.235 5.727 50 0 FKAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1c(F)cccc1Cl ZINC000033627293 211609906 /nfs/dbraw/zinc/60/99/06/211609906.db2.gz IQSZSIBCBOQZIZ-QXMHVHEDSA-N -1 0 367.807 5.602 50 0 FKAARM CC(C)(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000033888660 206811961 /nfs/dbraw/zinc/81/19/61/206811961.db2.gz HDOAWHDGWAGPFR-PEZBUJJGSA-N -1 0 357.453 5.717 50 0 FKAARM CC(C)(C)c1ccc(/C=C2/CCCc3c(C(=O)[O-])c4ccccc4nc32)cc1 ZINC000033888662 570628086 /nfs/dbraw/zinc/62/80/86/570628086.db2.gz JLYYFFPVASOOPO-ICFOKQHNSA-N -1 0 371.480 6.107 50 0 FKAARM CC(C)Oc1ccccc1/C=C1/CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000034860303 208111880 /nfs/dbraw/zinc/11/18/80/208111880.db2.gz KAOQAOZXICWIGJ-VKAVYKQESA-N -1 0 373.452 5.597 50 0 FKAARM O=C([O-])COc1ccc(/C=C\c2nc3c(ccc4ccccc34)s2)cc1 ZINC000035104021 571116932 /nfs/dbraw/zinc/11/69/32/571116932.db2.gz LWONDQGEXFONDS-GHXNOFRVSA-N -1 0 361.422 5.083 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccccc1OC(F)F)CC2 ZINC000035177739 208118812 /nfs/dbraw/zinc/11/88/12/208118812.db2.gz BLDMJEXNCNEYAN-QBFSEMIESA-N -1 0 367.351 5.021 50 0 FKAARM O=C([O-])c1ccc(N2N=C(/C=C\c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000035374927 204248647 /nfs/dbraw/zinc/24/86/47/204248647.db2.gz FJLJZHZLKZABLY-OVTQYCMBSA-N -1 0 368.436 5.406 50 0 FKAARM O=C([O-])c1ccc(N2N=C(/C=C\c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000035374929 204248234 /nfs/dbraw/zinc/24/82/34/204248234.db2.gz FJLJZHZLKZABLY-LKAWRWRFSA-N -1 0 368.436 5.406 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc(OC(F)F)cc1)CC2 ZINC000035394879 571185638 /nfs/dbraw/zinc/18/56/38/571185638.db2.gz GFNLWHHDQUKUGP-QBFSEMIESA-N -1 0 367.351 5.021 50 0 FKAARM COc1cccc2cc(/C=C(/CC(=O)[O-])c3nc4ccccc4s3)oc21 ZINC000035684983 210244900 /nfs/dbraw/zinc/24/49/00/210244900.db2.gz SOUFZCYXBXNFKZ-RAXLEYEMSA-N -1 0 365.410 5.066 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000036372118 571308570 /nfs/dbraw/zinc/30/85/70/571308570.db2.gz RVGVSOKFBAOUCH-XWAMAECRSA-N -1 0 374.565 5.715 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]12C ZINC000036372119 571308638 /nfs/dbraw/zinc/30/86/38/571308638.db2.gz RVGVSOKFBAOUCH-OZTAXUKLSA-N -1 0 374.565 5.715 50 0 FKAARM CCc1ccc(-c2cc(C(F)(F)F)nc([N-]c3ncc(C)s3)n2)cc1 ZINC000036613796 571257943 /nfs/dbraw/zinc/25/79/43/571257943.db2.gz WWPDJOOGJWHDBD-UHFFFAOYSA-N -1 0 364.396 5.233 50 0 FKAARM Oc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)ccc2s1 ZINC000037311631 571268926 /nfs/dbraw/zinc/26/89/26/571268926.db2.gz KALXAXLMGRNUDC-UHFFFAOYSA-N -1 0 374.181 5.450 50 0 FKAARM O=C([O-])CCc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000038342474 571085117 /nfs/dbraw/zinc/08/51/17/571085117.db2.gz CKUQHJJNVUDLOH-UHFFFAOYSA-N -1 0 368.436 5.224 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000038358415 570954266 /nfs/dbraw/zinc/95/42/66/570954266.db2.gz HIAJCGFYHIANNA-XACSJCOKSA-N -1 0 374.565 5.427 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000038444657 571085053 /nfs/dbraw/zinc/08/50/53/571085053.db2.gz RPKLZQLYODPWTM-JRBLDTLOSA-N -1 0 360.582 6.536 50 0 FKAARM O=C([O-])/C=C/c1cc(Br)c(-c2ccc(Cl)cc2Cl)o1 ZINC000039383577 571088866 /nfs/dbraw/zinc/08/88/66/571088866.db2.gz XAEQTEBXQHFPRV-DUXPYHPUSA-N -1 0 362.006 5.114 50 0 FKAARM Cc1ccc(/C=C(\SCC(=O)[O-])c2nc3ccccc3s2)cc1C ZINC000040139799 208234567 /nfs/dbraw/zinc/23/45/67/208234567.db2.gz BBZYXIIQWKAFIC-YVLHZVERSA-N -1 0 355.484 5.229 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043763825 570954935 /nfs/dbraw/zinc/95/49/35/570954935.db2.gz HIAJCGFYHIANNA-CTZQGEBFSA-N -1 0 374.565 5.427 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000043763826 570954631 /nfs/dbraw/zinc/95/46/31/570954631.db2.gz RPKLZQLYODPWTM-XTTTXAKASA-N -1 0 360.582 6.536 50 0 FKAARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000043769686 571231467 /nfs/dbraw/zinc/23/14/67/571231467.db2.gz IHZVVMCLXQROPK-CKEIUWERSA-N -1 0 360.240 5.518 50 0 FKAARM CC(C)n1c(C=O)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1C(=O)[O-] ZINC000044127110 571150710 /nfs/dbraw/zinc/15/07/10/571150710.db2.gz INIRCALXDSYBPU-UHFFFAOYSA-N -1 0 369.367 5.192 50 0 FKAARM Cc1cc2c(cc1[C@](C)(O)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000045329788 220969339 /nfs/dbraw/zinc/96/93/39/220969339.db2.gz QSJOZWPYZHBYNR-XMMPIXPASA-N -1 0 366.501 5.298 50 0 FKAARM Cc1cc2c(cc1[C@@](C)(O)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000045329791 571106259 /nfs/dbraw/zinc/10/62/59/571106259.db2.gz QSJOZWPYZHBYNR-DEOSSOPVSA-N -1 0 366.501 5.298 50 0 FKAARM O=C([O-])c1cc(C(=O)c2ccc3c4c(cccc42)CC3)cc2ccccc21 ZINC000048522811 571308673 /nfs/dbraw/zinc/30/86/73/571308673.db2.gz MUEYHDODZGEEHH-UHFFFAOYSA-N -1 0 352.389 5.021 50 0 FKAARM Cc1ccccc1-c1cc(NC(=O)N(C)Cc2c(F)cccc2Cl)on1 ZINC000058229634 571130078 /nfs/dbraw/zinc/13/00/78/571130078.db2.gz QDBSRSVAZAEDQP-UHFFFAOYSA-N -1 0 373.815 5.106 50 0 FKAARM O=C([O-])C/C(=C/c1csc(-c2ccco2)n1)c1nc2ccccc2s1 ZINC000058344360 221114916 /nfs/dbraw/zinc/11/49/16/221114916.db2.gz DCZIDWMCQPOYLO-FLIBITNWSA-N -1 0 368.439 5.028 50 0 FKAARM C=C(c1ccc(C(=O)[O-])c(F)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000059047111 212015559 /nfs/dbraw/zinc/01/55/59/212015559.db2.gz LWKAWHRSPCHMPJ-UHFFFAOYSA-N -1 0 366.476 6.243 50 0 in-vitro FKAARM Cc1cc(C)c(C)c(SCc2nc3c4ccccc4oc3c(=O)[nH]2)c1C ZINC000061141753 570568433 /nfs/dbraw/zinc/56/84/33/570568433.db2.gz ATCQQWNYINODHH-UHFFFAOYSA-N -1 0 364.470 5.195 50 0 FKAARM O=C([O-])CCCCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064858578 212046914 /nfs/dbraw/zinc/04/69/14/212046914.db2.gz BYIVGHIYNFQIJX-UHFFFAOYSA-N -1 0 371.436 5.280 50 0 in-vitro FKAARM Cc1cc(/C=C(/CCCC(=O)[O-])c2nc3ccccc3s2)cc(C)c1O ZINC000065518600 221230093 /nfs/dbraw/zinc/23/00/93/221230093.db2.gz NUOIHOUMRCULBO-VBKFSLOCSA-N -1 0 367.470 5.414 50 0 FKAARM Cc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc(C)c1O ZINC000065593708 221234869 /nfs/dbraw/zinc/23/48/69/221234869.db2.gz FEBQPCMQFMTPMP-PTNGSMBKSA-N -1 0 353.443 5.024 50 0 FKAARM COc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(C)ccc4n3)o2)cc1 ZINC000067299800 221251864 /nfs/dbraw/zinc/25/18/64/221251864.db2.gz XCRGWECFJQVNEA-UHFFFAOYSA-N -1 0 359.381 5.177 50 0 FKAARM COc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(F)ccc4n3)o2)cc1 ZINC000067299836 205369644 /nfs/dbraw/zinc/36/96/44/205369644.db2.gz FAWVBGOMVMOHEE-UHFFFAOYSA-N -1 0 363.344 5.008 50 0 FKAARM CCc1ccc2nc(-c3ccc(-c4ccc(OC)cc4)o3)cc(C(=O)[O-])c2c1 ZINC000067299843 221251684 /nfs/dbraw/zinc/25/16/84/221251684.db2.gz BBMWXMQHJIAVEJ-UHFFFAOYSA-N -1 0 373.408 5.431 50 0 FKAARM CCC(CC)(C(=O)[O-])C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000071767407 221372831 /nfs/dbraw/zinc/37/28/31/221372831.db2.gz JESMJUGJPYXYHU-UHFFFAOYSA-N -1 0 367.272 5.120 50 0 FKAARM O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000071769664 221374106 /nfs/dbraw/zinc/37/41/06/221374106.db2.gz FCGOJXKCRKKHNL-UHFFFAOYSA-N -1 0 366.031 5.650 50 0 FKAARM CC[C@@H](c1ccc2c(ccc(OC)c2Br)c1)C(C)(C)C(=O)[O-] ZINC000071770783 221373560 /nfs/dbraw/zinc/37/35/60/221373560.db2.gz KNFVNPNECVBQGJ-AWEZNQCLSA-N -1 0 365.267 5.215 50 0 FKAARM CC[C@H](c1ccc2c(ccc(OC)c2Br)c1)C(C)(C)C(=O)[O-] ZINC000071770784 571166319 /nfs/dbraw/zinc/16/63/19/571166319.db2.gz KNFVNPNECVBQGJ-CQSZACIVSA-N -1 0 365.267 5.215 50 0 FKAARM O=C([O-])Cc1sc(-c2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000071770877 571083521 /nfs/dbraw/zinc/08/35/21/571083521.db2.gz MORFSTFTJNGIHD-UHFFFAOYSA-N -1 0 363.360 5.123 50 0 FKAARM O=C([O-])Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000071770890 221374341 /nfs/dbraw/zinc/37/43/41/221374341.db2.gz LMXUNBHWDGTMFZ-UHFFFAOYSA-N -1 0 364.253 5.411 50 0 FKAARM Cc1ccc(-c2nc(Nc3ccc(C(=O)[O-])cc3)nc3ccccc32)cc1 ZINC000072314537 571108825 /nfs/dbraw/zinc/10/88/25/571108825.db2.gz PVFYAXBVLNXLKW-UHFFFAOYSA-N -1 0 355.397 5.047 50 0 FKAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(C2CCCCC2)cc1 ZINC000072414241 571158792 /nfs/dbraw/zinc/15/87/92/571158792.db2.gz FYTWFIKQUXEQFY-UHFFFAOYSA-N -1 0 366.486 5.083 50 0 FKAARM CC1(C)Cc2oc3[n-]c(=S)n(C4CCCCC4)c(=S)c3c2CO1 ZINC000075279575 571159433 /nfs/dbraw/zinc/15/94/33/571159433.db2.gz LLDIWWLLCHZGSD-UHFFFAOYSA-N -1 0 350.509 5.004 50 0 FKAARM CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000079047850 520248764 /nfs/dbraw/zinc/24/87/64/520248764.db2.gz PDTXSIGPZDVVIX-UHFFFAOYSA-N -1 0 351.402 5.276 50 0 FKAARM Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000081213892 571226680 /nfs/dbraw/zinc/22/66/80/571226680.db2.gz LPGBXHWIQNZEJB-UHFFFAOYSA-N -1 0 364.416 5.397 50 0 in-vitro FKAARM CCCc1ccc(-c2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)c(F)c2)cc1 ZINC000085223828 571233415 /nfs/dbraw/zinc/23/34/15/571233415.db2.gz VJJGOAJTDWSDMB-UHFFFAOYSA-N -1 0 370.370 6.089 50 0 FKAARM Cc1cc2c(cc1-c1cc(/C=C\C(=O)[O-])ccc1O)C(C)(C)CCC2(C)C ZINC000090677403 571282106 /nfs/dbraw/zinc/28/21/06/571282106.db2.gz DYLLZSVPAUUSSB-CLFYSBASSA-N -1 0 364.485 5.814 50 0 in-vitro FKAARM O=C(Cc1cccc(Cl)c1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000095450660 571329880 /nfs/dbraw/zinc/32/98/80/571329880.db2.gz FRTACGOYBUAFKV-UHFFFAOYSA-N -1 0 365.043 5.187 50 0 FKAARM Cc1ccccc1COc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1 ZINC000095472060 571330627 /nfs/dbraw/zinc/33/06/27/571330627.db2.gz WSZHFGCNLSBSLC-UHFFFAOYSA-N -1 0 361.441 5.193 50 0 FKAARM O=c1[nH]c2cc(Cl)ccc2c([O-])c1-c1cccc(Oc2ccccc2)c1 ZINC000095541799 570470332 /nfs/dbraw/zinc/47/03/32/570470332.db2.gz FLVRDMUHUXVRET-UHFFFAOYSA-N -1 0 363.800 5.346 50 0 in-vitro FKAARM O=C([O-])CCCCCCCCCCCN(c1ccccc1)c1ccccn1 ZINC000095836925 571332049 /nfs/dbraw/zinc/33/20/49/571332049.db2.gz BYZOMNOSLMHVAS-UHFFFAOYSA-N -1 0 368.521 6.205 50 0 FKAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000095949316 571332642 /nfs/dbraw/zinc/33/26/42/571332642.db2.gz IDPOFQWKBINCRI-UHFFFAOYSA-N -1 0 371.072 5.101 50 0 FKAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C1(c2cccc(Cl)c2)CC1 ZINC000095981379 571333388 /nfs/dbraw/zinc/33/33/88/571333388.db2.gz QKNOQCIKTSPFRG-UHFFFAOYSA-N -1 0 356.636 5.023 50 0 FKAARM O=C([O-])c1c(/C=C/c2ccccn2)nc2ccccc2c1-c1ccccc1 ZINC000096026314 221992620 /nfs/dbraw/zinc/99/26/20/221992620.db2.gz SAEATBDMHCKEAO-BUHFOSPRSA-N -1 0 352.393 5.165 50 0 FKAARM O=C([O-])c1c(-c2cc3ccccc3o2)nc2ccccc2c1-c1ccccc1 ZINC000096026317 570472201 /nfs/dbraw/zinc/47/22/01/570472201.db2.gz NHTFKOLFEYUVFE-UHFFFAOYSA-N -1 0 365.388 6.013 50 0 FKAARM O=C([O-])c1cc2cc(Br)ccc2nc1-c1cc2ccccc2o1 ZINC000096026318 209097088 /nfs/dbraw/zinc/09/70/88/209097088.db2.gz VBVCHBALXUHWMI-UHFFFAOYSA-N -1 0 368.186 5.109 50 0 FKAARM COc1cc(C)c(/C=C/c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)c(C)c1C ZINC000096171650 205845076 /nfs/dbraw/zinc/84/50/76/205845076.db2.gz FKUYDPZMQAWVIO-VGOFMYFVSA-N -1 0 372.464 6.156 50 0 FKAARM CC(=C\C(=O)[O-])/C=C\C=C(/C)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C ZINC000096171652 209131011 /nfs/dbraw/zinc/13/10/11/209131011.db2.gz GVGQZXQAFNUDJB-PRRNPZCCSA-N -1 0 352.518 6.272 50 0 FKAARM CC(/C=C/C=C(/C)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C)=C\C(=O)[O-] ZINC000096171660 209130528 /nfs/dbraw/zinc/13/05/28/209130528.db2.gz GVGQZXQAFNUDJB-CYJTWTKOSA-N -1 0 352.518 6.272 50 0 FKAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1Cc1cccc2ccccc21 ZINC000096300005 570480568 /nfs/dbraw/zinc/48/05/68/570480568.db2.gz OFNBSFMFHMXOJD-GOSISDBHSA-N -1 0 371.465 5.031 50 0 FKAARM O=C([O-])C/C(=C\c1csc(-c2ccco2)n1)c1nc2ccccc2s1 ZINC000096401869 571335808 /nfs/dbraw/zinc/33/58/08/571335808.db2.gz DCZIDWMCQPOYLO-DHZHZOJOSA-N -1 0 368.439 5.028 50 0 FKAARM COc1cc(/C=C\c2ccc3c(Cl)cc(Cl)c([O-])c3n2)ccc1O ZINC000096766391 209157755 /nfs/dbraw/zinc/15/77/55/209157755.db2.gz HCFGJZXDCSIFNB-RQOWECAXSA-N -1 0 362.212 5.132 50 0 FKAARM CSc1ccc(/C=C\c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1 ZINC000096766393 209158097 /nfs/dbraw/zinc/15/80/97/209158097.db2.gz KTZYGJJRQOEGNO-DJWKRKHSSA-N -1 0 362.281 6.140 50 0 FKAARM Cc1cc(/C=C\c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc(C)c1O ZINC000096766394 222129244 /nfs/dbraw/zinc/12/92/44/222129244.db2.gz MNPMYZWHQOHSDC-ARJAWSKDSA-N -1 0 360.240 5.740 50 0 FKAARM CC(C)(C)c1ccc(/C=C\c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1 ZINC000096766413 209157341 /nfs/dbraw/zinc/15/73/41/209157341.db2.gz MPWHXEBMCFDRKS-TWGQIWQCSA-N -1 0 372.295 6.715 50 0 FKAARM O=C([O-])COc1ccc(/C=C\c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000096767147 209158061 /nfs/dbraw/zinc/15/80/61/209158061.db2.gz AXPLIQRGKWYNOZ-JYRVWZFOSA-N -1 0 371.392 5.129 50 0 FKAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cccc3ccccc13)CC2 ZINC000096767497 210240625 /nfs/dbraw/zinc/24/06/25/210240625.db2.gz LDEWNARIPXMOHU-VKAVYKQESA-N -1 0 351.405 5.573 50 0 FKAARM O=C([O-])c1cc(/C=C\c2ccc(-c3ccc(F)cc3)o2)nc2ccccc21 ZINC000096792001 209158146 /nfs/dbraw/zinc/15/81/46/209158146.db2.gz JIQFQYBRZCADOR-KTKRTIGZSA-N -1 0 359.356 5.503 50 0 FKAARM O=C([O-])c1cc(/C=C\c2ccc(Br)cc2F)nc2ccccc21 ZINC000096792011 209157048 /nfs/dbraw/zinc/15/70/48/209157048.db2.gz WYBGLIWGLFEKIS-VURMDHGXSA-N -1 0 372.193 5.005 50 0 FKAARM COc1ccccc1/C=C(/CCCC(=O)[O-])c1nc2ccccc2s1 ZINC000096861793 222135128 /nfs/dbraw/zinc/13/51/28/222135128.db2.gz NCSSYAYDEXZUKO-SQFISAMPSA-N -1 0 353.443 5.100 50 0 FKAARM O=C([O-])CS/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000097994591 570799081 /nfs/dbraw/zinc/79/90/81/570799081.db2.gz SJXDQMWDPIXDIZ-OQLLNIDSSA-N -1 0 361.875 5.266 50 0 FKAARM O=c1cc(CSc2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000100027669 222232562 /nfs/dbraw/zinc/23/25/62/222232562.db2.gz RKTOMPMAPJCBGU-UHFFFAOYSA-N -1 0 373.890 5.133 50 0 FKAARM O=c1cc(-c2ccccc2)nc2cc(-c3ccc(-c4ccccc4)cc3)[n-]n21 ZINC000100519120 222246828 /nfs/dbraw/zinc/24/68/28/222246828.db2.gz IRBFMXUMOWEXFE-UHFFFAOYSA-N -1 0 363.420 5.436 50 0 FKAARM O=C(C(Sc1ccc(Cl)cc1)=C([O-])c1ccccc1)c1ccccc1 ZINC000100660089 222249186 /nfs/dbraw/zinc/24/91/86/222249186.db2.gz YBMMOWCJKQHLIK-UHFFFAOYSA-N -1 0 366.869 5.567 50 0 FKAARM Cc1ccc(C(=O)C(=C([O-])c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000100706359 222250363 /nfs/dbraw/zinc/25/03/63/222250363.db2.gz ZIPGYSSCZTUXKW-UHFFFAOYSA-N -1 0 369.675 5.355 50 0 FKAARM O=C(C=C([O-])c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000100780478 222253112 /nfs/dbraw/zinc/25/31/12/222253112.db2.gz OEYRXDDAZAQCNE-UHFFFAOYSA-N -1 0 362.039 5.756 50 0 FKAARM O=C(C=C([O-])c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000100803478 222254368 /nfs/dbraw/zinc/25/43/68/222254368.db2.gz AIPAEWMUZDTFBO-UHFFFAOYSA-N -1 0 362.039 5.756 50 0 FKAARM Cc1ccc(Sc2c(=O)n(-c3ccccc3)[n-]c2C(F)(F)F)cc1 ZINC000100888894 570800035 /nfs/dbraw/zinc/80/00/35/570800035.db2.gz HHQAUBVTHBQUAZ-UHFFFAOYSA-N -1 0 350.365 5.056 50 0 FKAARM O=c1c(Sc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100888897 209219190 /nfs/dbraw/zinc/21/91/90/209219190.db2.gz NZOFYRYHEORORL-UHFFFAOYSA-N -1 0 370.783 5.401 50 0 FKAARM O=C([O-])c1c(/C=C\c2ccccn2)nc2ccccc2c1-c1ccccc1 ZINC000101414666 570820013 /nfs/dbraw/zinc/82/00/13/570820013.db2.gz SAEATBDMHCKEAO-YPKPFQOOSA-N -1 0 352.393 5.165 50 0 FKAARM Cc1[n-]n(-c2ccccc2)c(=O)c1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000101541131 570821104 /nfs/dbraw/zinc/82/11/04/570821104.db2.gz OMYSWKXHLJEXJH-IBGZPJMESA-N -1 0 364.832 5.181 50 0 FKAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H]1c2ccccc2Oc2ccc(C)cc21 ZINC000103156939 570844579 /nfs/dbraw/zinc/84/45/79/570844579.db2.gz LXHOFSNFCGZTLP-XZOQPEGZSA-N -1 0 368.436 5.272 50 0 FKAARM Cc1[n-]n2c(nc(-c3ccc4ccccc4c3)cc2=O)c1-c1ccccc1 ZINC000103664742 222341372 /nfs/dbraw/zinc/34/13/72/222341372.db2.gz VJWFAPCYRVCLDB-UHFFFAOYSA-N -1 0 351.409 5.231 50 0 FKAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c([O-])o1 ZINC000137818362 571182487 /nfs/dbraw/zinc/18/24/87/571182487.db2.gz YZJIAVOYCGZTNO-IBGZPJMESA-N -1 0 363.438 5.012 50 0 FKAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c([O-])o1 ZINC000137819428 571182443 /nfs/dbraw/zinc/18/24/43/571182443.db2.gz YZJIAVOYCGZTNO-LJQANCHMSA-N -1 0 363.438 5.012 50 0 FKAARM CC(C)(C)[Si](C)(C)n1ccc2cc(-c3cccc(C(=O)[O-])c3)ccc21 ZINC000169746457 222570397 /nfs/dbraw/zinc/57/03/97/222570397.db2.gz HDBCXDRSFKQAAL-UHFFFAOYSA-N -1 0 351.522 5.860 50 0 FKAARM CCOc1ccccc1-c1nc(-c2ccc(Cl)cc2)c(CC(=O)[O-])s1 ZINC000170600975 571266939 /nfs/dbraw/zinc/26/69/39/571266939.db2.gz IZUGTBVWVYGKOG-UHFFFAOYSA-N -1 0 373.861 5.156 50 0 FKAARM O=C([O-])C1CC(c2ccc(OCc3cccc(Oc4ccccc4)c3)cc2)C1 ZINC000170614797 571268174 /nfs/dbraw/zinc/26/81/74/571268174.db2.gz YDMBDNPXJNPDCA-UHFFFAOYSA-N -1 0 374.436 5.636 50 0 FKAARM CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1ncc(C(=O)[O-])c2Cl ZINC000198029329 570891263 /nfs/dbraw/zinc/89/12/63/570891263.db2.gz FSTCBEJNOBRWEY-UHFFFAOYSA-N -1 0 352.938 5.412 50 0 FKAARM CC(C)C[Si](CC(C)C)(CC(C)C)c1c(F)ccc(C(=O)[O-])c1F ZINC000219799443 206389844 /nfs/dbraw/zinc/38/98/44/206389844.db2.gz OZERAJAOOVCSKT-UHFFFAOYSA-N -1 0 356.529 5.287 50 0 FKAARM Cc1sc2[n-]c(-c3nc4ccccc4o3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000225517732 571042433 /nfs/dbraw/zinc/04/24/33/571042433.db2.gz OZTMYFCWEGOPFZ-UHFFFAOYSA-N -1 0 373.437 5.077 50 0 FKAARM O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000230058945 571202254 /nfs/dbraw/zinc/20/22/54/571202254.db2.gz IHZVVMCLXQROPK-JKIFEVAISA-N -1 0 360.240 5.518 50 0 FKAARM CC(C)(C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4O)[C@H]3CC[C@H]2C1 ZINC000245240138 571316748 /nfs/dbraw/zinc/31/67/48/571316748.db2.gz OLFAUBNLGRKABZ-PKRXZDKWSA-N -1 0 360.538 5.037 50 0 FKAARM Cc1ccc2nc(Nc3ccccc3C(=O)[O-])nc(-c3ccccc3)c2c1 ZINC000252499967 571281175 /nfs/dbraw/zinc/28/11/75/571281175.db2.gz SKEQWQHGTHEHAR-UHFFFAOYSA-N -1 0 355.397 5.047 50 0 FKAARM Cc1cccc(N=c2oc3cc([O-])ccc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000252668469 571292251 /nfs/dbraw/zinc/29/22/51/571292251.db2.gz FDTAOEADGGRHAC-UHFFFAOYSA-N -1 0 367.408 5.223 50 0 FKAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(C2CCCCC2)cc1 ZINC000252669759 571292211 /nfs/dbraw/zinc/29/22/11/571292211.db2.gz IPWMKAALJAGIKO-UHFFFAOYSA-N -1 0 370.880 5.922 50 0 FKAARM Cc1ccccc1N=c1oc2cc([O-])ccc2cc1-c1nc2ccccc2[nH]1 ZINC000252672145 571292383 /nfs/dbraw/zinc/29/23/83/571292383.db2.gz PJDNUEWJHXNNDP-UHFFFAOYSA-N -1 0 367.408 5.223 50 0 FKAARM Cc1[n-]n2c(nc(-c3cccc4ccccc43)cc2=O)c1-c1ccccc1 ZINC000253496414 571317652 /nfs/dbraw/zinc/31/76/52/571317652.db2.gz AVKOUVOYYQRRME-UHFFFAOYSA-N -1 0 351.409 5.231 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253499203 571317727 /nfs/dbraw/zinc/31/77/27/571317727.db2.gz HIAJCGFYHIANNA-PYYYNQSDSA-N -1 0 374.565 5.427 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253499207 571317756 /nfs/dbraw/zinc/31/77/56/571317756.db2.gz HIAJCGFYHIANNA-RCZCEPRVSA-N -1 0 374.565 5.427 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609827 571317872 /nfs/dbraw/zinc/31/78/72/571317872.db2.gz RPKLZQLYODPWTM-ABPVGNMRSA-N -1 0 360.582 6.536 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609830 571317860 /nfs/dbraw/zinc/31/78/60/571317860.db2.gz RPKLZQLYODPWTM-AYHNZTASSA-N -1 0 360.582 6.536 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@]21C ZINC000253614818 222996916 /nfs/dbraw/zinc/99/69/16/222996916.db2.gz FEGCPHIPSRBREU-BNWXYIIPSA-N -1 0 374.565 5.283 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@@]21C ZINC000253614820 571317857 /nfs/dbraw/zinc/31/78/57/571317857.db2.gz FEGCPHIPSRBREU-HIRANESSSA-N -1 0 374.565 5.283 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C ZINC000253614822 222997367 /nfs/dbraw/zinc/99/73/67/222997367.db2.gz FEGCPHIPSRBREU-UGVZVSGPSA-N -1 0 374.565 5.283 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@]21C ZINC000253614824 571317836 /nfs/dbraw/zinc/31/78/36/571317836.db2.gz FEGCPHIPSRBREU-UPACSUOZSA-N -1 0 374.565 5.283 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253617170 571317927 /nfs/dbraw/zinc/31/79/27/571317927.db2.gz BESWZNZZPZNJEO-CXHRZIGFSA-N -1 0 358.566 6.312 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253617176 222997564 /nfs/dbraw/zinc/99/75/64/222997564.db2.gz BESWZNZZPZNJEO-PTFKKOSVSA-N -1 0 358.566 6.312 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253617387 571317956 /nfs/dbraw/zinc/31/79/56/571317956.db2.gz KIQFUORWRVZTHT-IWGVVXIASA-N -1 0 374.565 5.715 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000253617617 222997029 /nfs/dbraw/zinc/99/70/29/222997029.db2.gz ZKGCEXPUCJDWMB-CIOUMCDNSA-N -1 0 374.565 5.715 50 0 FKAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000254824798 570629323 /nfs/dbraw/zinc/62/93/23/570629323.db2.gz RVGVSOKFBAOUCH-NJEDXZMYSA-N -1 0 374.565 5.715 50 0 FKAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000254824799 222996912 /nfs/dbraw/zinc/99/69/12/222996912.db2.gz 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