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-])c1ccc(CN=Nc2ncc(Cl)cc2Cl)cc1 ZINC000013135865 956946405 /nfs/dbraw/zinc/94/64/05/956946405.db2.gz HKUYDSYFHQFQOK-UHFFFAOYSA-N -1 0 310.140 3.533 50 0 DHAARM CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000263133499 962285281 /nfs/dbraw/zinc/28/52/81/962285281.db2.gz XXSRDOYGZHZNOL-LBPRGKRZSA-N -1 0 317.410 3.540 50 0 DHAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000048652771 1023801245 /nfs/dbraw/zinc/80/12/45/1023801245.db2.gz XNQMRQDUKXDHFN-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM O=C([O-])c1nc(Cl)c(Cl)c(N2CCCCC2)c1Cl ZINC000005861146 1026742228 /nfs/dbraw/zinc/74/22/28/1026742228.db2.gz PFFGJNXACHNWQQ-UHFFFAOYSA-N -1 0 309.580 3.730 50 0 DHAARM C[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccs1 ZINC000630328034 1031992947 /nfs/dbraw/zinc/99/29/47/1031992947.db2.gz FFKUNBAEPQFQRD-DDTOSNHZSA-N -1 0 315.394 3.678 50 0 DHAARM CC1(C)CCCC2=C1C[C@H](C(=O)[O-])[C@H](C(=O)N1CCCCC1)C2 ZINC000002139028 1037125273 /nfs/dbraw/zinc/12/52/73/1037125273.db2.gz OSMRSCRRFQBSNS-CABCVRRESA-N -1 0 319.445 3.616 50 0 DHAARM O=C([O-])c1cc(Br)ccc1OCc1ccccc1 ZINC000003344803 181009132 /nfs/dbraw/zinc/00/91/32/181009132.db2.gz VIQAXGLEBKDMGC-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccccc1 ZINC000003913564 181058143 /nfs/dbraw/zinc/05/81/43/181058143.db2.gz OCWKDUWOIKWGIV-UHFFFAOYSA-N -1 0 301.367 3.885 50 0 DHAARM CCC/C(=C\c1ccc(I)cc1)C(=O)[O-] ZINC000004529008 181120271 /nfs/dbraw/zinc/12/02/71/181120271.db2.gz SRESLCDMRCQZNU-CSKARUKUSA-N -1 0 316.138 3.559 50 0 DHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)CCc1ccccc1 ZINC000004599971 181129046 /nfs/dbraw/zinc/12/90/46/181129046.db2.gz LEEWQBUIBZRRAF-UHFFFAOYSA-N -1 0 303.745 3.610 50 0 DHAARM Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(C)=CC[C@@H]1C(=O)[O-] ZINC000004662582 181133412 /nfs/dbraw/zinc/13/34/12/181133412.db2.gz LRUGNWKDBAYQGL-NWDGAFQWSA-N -1 0 307.777 3.644 50 0 DHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)[O-])cc1 ZINC000004700963 181139205 /nfs/dbraw/zinc/13/92/05/181139205.db2.gz VKOYKKRRVGLIMR-QXMHVHEDSA-N -1 0 304.349 3.946 50 0 DHAARM CC(C)COC(=O)N=c1[n-]nc(C=Cc2ccccc2)s1 ZINC000004694983 181137667 /nfs/dbraw/zinc/13/76/67/181137667.db2.gz GVDUZPNYZDTPSG-CMDGGOBGSA-N -1 0 303.387 3.913 50 0 DHAARM O=C([O-])c1ccccc1-c1cccc(C(=O)Nc2ccccn2)c1 ZINC000004710037 181140621 /nfs/dbraw/zinc/14/06/21/181140621.db2.gz CVBXXDXTJJFEOJ-UHFFFAOYSA-N -1 0 318.332 3.699 50 0 DHAARM COc1cccc2c1CCc1c-2nc2ccccc2c1C(=O)[O-] ZINC000004726132 181143092 /nfs/dbraw/zinc/14/30/92/181143092.db2.gz NNLJJCPGABDUGZ-UHFFFAOYSA-N -1 0 305.333 3.707 50 0 biogenic DHAARM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000004809527 181154384 /nfs/dbraw/zinc/15/43/84/181154384.db2.gz NAWPLTDIZJEXQK-UHFFFAOYSA-N -1 0 311.790 3.540 50 0 DHAARM CC(C)(C)c1ccc(OCCCC(=O)[O-])c(Br)c1 ZINC000005175413 181212893 /nfs/dbraw/zinc/21/28/93/181212893.db2.gz QEUVMYYGJHGZKX-UHFFFAOYSA-N -1 0 315.207 3.990 50 0 DHAARM O=c1cc([O-])c2sc3nc4c(cc3c2[nH]1)CCCCCC4 ZINC000005338013 181231145 /nfs/dbraw/zinc/23/11/45/181231145.db2.gz LWMVXCGILMDZOT-UHFFFAOYSA-N -1 0 300.383 3.502 50 0 DHAARM C[C@@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1cccc(F)c1 ZINC000237317499 202227936 /nfs/dbraw/zinc/22/79/36/202227936.db2.gz XQKMFBMIWPVZBQ-XJKSGUPXSA-N -1 0 321.392 3.565 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006328631 181330402 /nfs/dbraw/zinc/33/04/02/181330402.db2.gz NYNHZOFZAMITQY-VXGBXAGGSA-N -1 0 314.168 3.599 50 0 DHAARM CC1=C(C)C[C@@H](C(=O)Nc2ccccc2Cl)[C@H](C(=O)[O-])C1 ZINC000006699395 181372142 /nfs/dbraw/zinc/37/21/42/181372142.db2.gz KJLDHYBSPPDMKK-VXGBXAGGSA-N -1 0 307.777 3.726 50 0 DHAARM Cc1ccc(F)cc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000006698208 181371738 /nfs/dbraw/zinc/37/17/38/181371738.db2.gz VFNLBAQNDSQIRW-UONOGXRCSA-N -1 0 305.349 3.520 50 0 DHAARM CSc1ccccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000006740959 181380726 /nfs/dbraw/zinc/38/07/26/181380726.db2.gz OCBCKOSBGMUYDI-OLZOCXBDSA-N -1 0 319.426 3.794 50 0 DHAARM Cc1cc(C(=O)[O-])c(NC(=S)Nc2ccc(F)cc2)s1 ZINC000006825619 181395414 /nfs/dbraw/zinc/39/54/14/181395414.db2.gz HEZGDMCLXNUSQP-UHFFFAOYSA-N -1 0 310.375 3.703 50 0 DHAARM Cc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(F)c1 ZINC000008924851 181591540 /nfs/dbraw/zinc/59/15/40/181591540.db2.gz QXJGJVWICWMJCN-GOSISDBHSA-N -1 0 315.344 3.505 50 0 DHAARM CC[C@H](C)[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000015999130 182028758 /nfs/dbraw/zinc/02/87/58/182028758.db2.gz RPTNPRGIWVXONY-WRWORJQWSA-N -1 0 319.188 3.614 50 0 DHAARM CCOc1ccc(Nc2nnc(-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000016777320 182060180 /nfs/dbraw/zinc/06/01/80/182060180.db2.gz UPNYPBKGRUFDOU-UHFFFAOYSA-N -1 0 322.368 3.695 50 0 DHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1Cc1cccc(Cl)c1 ZINC000017879208 182086921 /nfs/dbraw/zinc/08/69/21/182086921.db2.gz WQFDAFOEEOWAFA-UHFFFAOYSA-N -1 0 316.763 3.857 50 0 DHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)s2)on1 ZINC000020978483 182256542 /nfs/dbraw/zinc/25/65/42/182256542.db2.gz HETJIKRULNENEM-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM O=C([O-])[C@@H]1CC[C@H](CC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000043879098 183388664 /nfs/dbraw/zinc/38/86/64/183388664.db2.gz JBHBXUHEXGXHEJ-GXSJLCMTSA-N -1 0 300.276 3.779 50 0 DHAARM CC(C)c1ccc(-c2nnc(-c3ccccc3N)[n-]c2=O)cc1 ZINC000058047002 184070780 /nfs/dbraw/zinc/07/07/80/184070780.db2.gz XTSYHRZTTBOTGF-UHFFFAOYSA-N -1 0 306.369 3.617 50 0 DHAARM COc1ccc(-c2csc3c2[n-]c(SC)nc3=O)cc1 ZINC000062591979 184244364 /nfs/dbraw/zinc/24/43/64/184244364.db2.gz UAWQZSBVNHFFBS-UHFFFAOYSA-N -1 0 304.396 3.794 50 0 DHAARM CCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000064820571 184303941 /nfs/dbraw/zinc/30/39/41/184303941.db2.gz VDFDEEGRCBCXIG-UHFFFAOYSA-N -1 0 318.398 3.545 50 0 DHAARM CCCCC(=O)Nc1ccc(N(C)CCCC)cc1C(=O)[O-] ZINC000064588905 184301283 /nfs/dbraw/zinc/30/12/83/184301283.db2.gz GFIWVZAOCSYSRE-UHFFFAOYSA-N -1 0 306.406 3.750 50 0 DHAARM O=C([O-])c1cc(Br)cc(OCc2ccccc2)c1 ZINC000065337036 184324868 /nfs/dbraw/zinc/32/48/68/184324868.db2.gz GFROXMGZVLABNJ-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000262309635 332637058 /nfs/dbraw/zinc/63/70/58/332637058.db2.gz POFLMAUODDHNMA-KOLCDFICSA-N -1 0 315.291 3.692 50 0 DHAARM COCCOc1ccc(-c2c(C(=O)[O-])cnc3ccccc32)cc1 ZINC000534639253 334310439 /nfs/dbraw/zinc/31/04/39/334310439.db2.gz VIJIWOIRYKEBJN-UHFFFAOYSA-N -1 0 323.348 3.625 50 0 DHAARM Cc1ccc([C@H](Nc2cccc(F)c2)[P@@](=O)([O-])O)c(C)c1 ZINC000012997410 563929095 /nfs/dbraw/zinc/92/90/95/563929095.db2.gz SVNNQQYHZVDVJJ-OAHLLOKOSA-N -1 0 309.277 3.731 50 0 DHAARM O=C([O-])c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 ZINC000000131623 563221548 /nfs/dbraw/zinc/22/15/48/563221548.db2.gz MHALOUDQCZKXIR-UHFFFAOYSA-N -1 0 321.785 3.841 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000238277 563232106 /nfs/dbraw/zinc/23/21/06/563232106.db2.gz AVQRPYDXZAOFPB-UWVGGRQHSA-N -1 0 316.184 3.823 50 0 DHAARM [O-]C(=C[C@@](O)(c1ccccc1)C(F)(F)F)c1cccs1 ZINC000000053612 563212085 /nfs/dbraw/zinc/21/20/85/563212085.db2.gz DRBLFYFYWKRWMI-CYBMUJFWSA-N -1 0 300.301 3.771 50 0 DHAARM O=C([O-])c1cccnc1SCc1cccc(Br)c1 ZINC000000216098 563231171 /nfs/dbraw/zinc/23/11/71/563231171.db2.gz GQTAALPMHBKVEJ-UHFFFAOYSA-N -1 0 324.199 3.835 50 0 DHAARM COc1ccc(COc2ccc(CC(=O)[O-])cc2Cl)cc1C ZINC000000395763 563250007 /nfs/dbraw/zinc/25/00/07/563250007.db2.gz SRPQARZJSFDFLV-UHFFFAOYSA-N -1 0 320.772 3.863 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000000552618 563266082 /nfs/dbraw/zinc/26/60/82/563266082.db2.gz SVJIFKVIILWEGE-UHFFFAOYSA-N -1 0 321.332 3.556 50 0 DHAARM COc1cccc(C(=O)C[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000001400836 563282813 /nfs/dbraw/zinc/28/28/13/563282813.db2.gz JKEWPTJEBFCGQL-OAHLLOKOSA-N -1 0 318.756 3.790 50 0 DHAARM O=C([O-])[C@@H]1c2cccn2-c2ccccc2CN1Cc1ccccc1 ZINC000001501680 563284599 /nfs/dbraw/zinc/28/45/99/563284599.db2.gz VMPNGGQMDYFJKA-IBGZPJMESA-N -1 0 318.376 3.619 50 0 DHAARM C/C(=C(\NC(=O)c1ccccc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000002028145 563298308 /nfs/dbraw/zinc/29/83/08/563298308.db2.gz ILHRGNTZYDFIAE-RVDMUPIBSA-N -1 0 315.756 3.586 50 0 DHAARM CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002449942 563303635 /nfs/dbraw/zinc/30/36/35/563303635.db2.gz RBDLKXJIZFHGMD-SJORKVTESA-N -1 0 317.429 3.706 50 0 DHAARM O=c1c2ccccc2[n-]c(=S)n1CCc1ccc(Cl)cc1 ZINC000003252770 563323673 /nfs/dbraw/zinc/32/36/73/563323673.db2.gz HIZSHIFPGKUEFO-UHFFFAOYSA-N -1 0 316.813 3.955 50 0 DHAARM Cc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1C ZINC000004902183 563328558 /nfs/dbraw/zinc/32/85/58/563328558.db2.gz BLAIRZLICJJZPO-HZPDHXFCSA-N -1 0 301.386 3.689 50 0 DHAARM O=C([O-])c1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000005538754 563330103 /nfs/dbraw/zinc/33/01/03/563330103.db2.gz CPZWBWPALJLUBJ-UHFFFAOYSA-N -1 0 304.345 3.669 50 0 DHAARM CCCCc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000002165661 563335968 /nfs/dbraw/zinc/33/59/68/563335968.db2.gz USMZNCYKXHVHAM-HOTGVXAUSA-N -1 0 301.386 3.635 50 0 DHAARM O=C([O-])Cc1csc(Nc2ccc(Cl)cc2Cl)n1 ZINC000008024894 563344086 /nfs/dbraw/zinc/34/40/86/563344086.db2.gz QQQRNOWAYYKBDV-UHFFFAOYSA-N -1 0 303.170 3.821 50 0 DHAARM Cc1nc(Nc2ccc(Br)cc2)sc1C(=O)[O-] ZINC000008024656 563343985 /nfs/dbraw/zinc/34/39/85/563343985.db2.gz BHUGJXNXMIEUPC-UHFFFAOYSA-N -1 0 313.176 3.656 50 0 DHAARM O=C([O-])Cn1nc(-c2ccc(Cl)cc2)c2c1-c1ccccc1C2 ZINC000008716968 563349722 /nfs/dbraw/zinc/34/97/22/563349722.db2.gz VWEHVRGGFFYJQS-UHFFFAOYSA-N -1 0 324.767 3.859 50 0 DHAARM C[C@H](C1CC1)N(C(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000011692356 563358916 /nfs/dbraw/zinc/35/89/16/563358916.db2.gz FCBZPGVBHFRCID-CYBMUJFWSA-N -1 0 309.365 3.830 50 0 DHAARM Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000011823551 563359658 /nfs/dbraw/zinc/35/96/58/563359658.db2.gz SOXDTQQAMFUILN-CQSZACIVSA-N -1 0 321.170 3.962 50 0 DHAARM Cc1cc(C(=O)[O-])c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1 ZINC000012396093 563368112 /nfs/dbraw/zinc/36/81/12/563368112.db2.gz NILAXMXJVAPBFA-UHFFFAOYSA-N -1 0 313.332 3.690 50 0 DHAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000096467601 563483601 /nfs/dbraw/zinc/48/36/01/563483601.db2.gz LEFROOMQGJUCQC-UHFFFAOYSA-N -1 0 317.772 3.955 50 0 DHAARM CC(=O)c1c(C)oc(C)c1CSCc1ccc(C(=O)[O-])o1 ZINC000000032624 563506282 /nfs/dbraw/zinc/50/62/82/563506282.db2.gz BANBAKFJZYPYHY-UHFFFAOYSA-N -1 0 308.355 3.824 50 0 DHAARM O=C([O-])Cc1csc(Nc2c(Cl)cccc2Cl)n1 ZINC000095929444 563531733 /nfs/dbraw/zinc/53/17/33/563531733.db2.gz BJJJREALTBRSPP-UHFFFAOYSA-N -1 0 303.170 3.821 50 0 DHAARM Cc1ccc(O)c(C(=O)C=C([O-])c2ccccc2OC(C)C)c1 ZINC000100474611 563550861 /nfs/dbraw/zinc/55/08/61/563550861.db2.gz ZZIMWUHCLFWAHE-UHFFFAOYSA-N -1 0 312.365 3.944 50 0 biogenic DHAARM COc1ccc(C)cc1C(=O)[C@@H]1C[C@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000104309580 563563777 /nfs/dbraw/zinc/56/37/77/563563777.db2.gz KRNMUMVLRVSPQF-OUCADQQQSA-N -1 0 304.386 3.569 50 0 DHAARM CCCc1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000000185891 563576187 /nfs/dbraw/zinc/57/61/87/563576187.db2.gz XGTXCAPDJPVYQY-UHFFFAOYSA-N -1 0 300.354 3.925 50 0 biogenic DHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000238852426 563603939 /nfs/dbraw/zinc/60/39/39/563603939.db2.gz FXUMVFKWQOPVTE-JQHSSLGASA-N -1 0 323.392 3.698 50 0 DHAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1CCc1ccccc1 ZINC000000425263 563612664 /nfs/dbraw/zinc/61/26/64/563612664.db2.gz DIUZPNITKSZUOY-UHFFFAOYSA-N -1 0 316.813 3.955 50 0 DHAARM CCc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000000423514 563616041 /nfs/dbraw/zinc/61/60/41/563616041.db2.gz FOTWKRRCQQVTSR-UHFFFAOYSA-N -1 0 312.394 3.598 50 0 DHAARM COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000000614029 563631876 /nfs/dbraw/zinc/63/18/76/563631876.db2.gz GPCFEOSODFNFNZ-UHFFFAOYSA-N -1 0 319.744 3.608 50 0 DHAARM O=C(c1ccccc1O)N(Cc1ccccc1)c1ccccn1 ZINC000000502618 563653515 /nfs/dbraw/zinc/65/35/15/563653515.db2.gz RMSIXGDBQUUECJ-UHFFFAOYSA-N -1 0 304.349 3.634 50 0 DHAARM O=C([O-])c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000013166497 563657333 /nfs/dbraw/zinc/65/73/33/563657333.db2.gz DIAPOTKYWYRQRZ-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM CC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000013252510 563657862 /nfs/dbraw/zinc/65/78/62/563657862.db2.gz QXIMIJSFOFSGQY-UHFFFAOYSA-N -1 0 317.385 3.643 50 0 DHAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000013576650 563660591 /nfs/dbraw/zinc/66/05/91/563660591.db2.gz OXSAJRXZZRQLAN-CPCISQLKSA-N -1 0 319.188 3.614 50 0 DHAARM Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000222353613 563725301 /nfs/dbraw/zinc/72/53/01/563725301.db2.gz YDXXSZYRMKTPCP-BMGDILEWSA-N -1 0 309.365 3.938 50 0 DHAARM COc1cccc(Nc2c(F)c(F)c(F)c(F)c2C(=O)[O-])c1 ZINC000001273312 563810649 /nfs/dbraw/zinc/81/06/49/563810649.db2.gz PSRYBZDEEXBKMI-UHFFFAOYSA-N -1 0 315.222 3.693 50 0 DHAARM Cc1cc(C(=O)[O-])n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000001405117 563819489 /nfs/dbraw/zinc/81/94/89/563819489.db2.gz LPNUSPLZOHQVPU-UHFFFAOYSA-N -1 0 319.773 3.656 50 0 DHAARM O=c1nc(CSc2ccc3c(c2)CCC3)[n-]c2ccsc21 ZINC000012774734 563828901 /nfs/dbraw/zinc/82/89/01/563828901.db2.gz OSLQNRADXPLGEN-UHFFFAOYSA-N -1 0 314.435 3.766 50 0 DHAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000075436565 563870924 /nfs/dbraw/zinc/87/09/24/563870924.db2.gz YGRBZLYGJRRMQR-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM Cc1ccc(C(=O)C(C#N)=NNc2ccccc2C(=O)[O-])cc1 ZINC000252614750 563887943 /nfs/dbraw/zinc/88/79/43/563887943.db2.gz JMSOYBFILSLRPT-HNNXBMFYSA-N -1 0 307.309 3.552 50 0 DHAARM CCCCC(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000064588913 563890584 /nfs/dbraw/zinc/89/05/84/563890584.db2.gz KOUHNQWKRGZHGF-CYBMUJFWSA-N -1 0 318.417 3.750 50 0 DHAARM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000006880654 563897893 /nfs/dbraw/zinc/89/78/93/563897893.db2.gz IUNMEJTVZRKJBZ-CABCVRRESA-N -1 0 301.386 3.590 50 0 DHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2noc3ccccc32)c(C)c1 ZINC000007363545 563905335 /nfs/dbraw/zinc/90/53/35/563905335.db2.gz HQGHRYYVQPJEMP-UHFFFAOYSA-N -1 0 316.382 3.554 50 0 DHAARM O=C([O-])Cc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000000192208 563912826 /nfs/dbraw/zinc/91/28/26/563912826.db2.gz RUFBMSTUAPVRGK-UHFFFAOYSA-N -1 0 305.333 3.719 50 0 DHAARM O=[P@@]([O-])(O)[C@@H](Nc1ccc(Cl)cc1)c1ccsc1 ZINC000012997412 563929041 /nfs/dbraw/zinc/92/90/41/563929041.db2.gz UQWKCPKEGGSZTG-LLVKDONJSA-N -1 0 303.707 3.690 50 0 DHAARM Cc1ccc([C@@H](Nc2cccc(F)c2)[P@@](=O)([O-])O)c(C)c1 ZINC000012997409 563929138 /nfs/dbraw/zinc/92/91/38/563929138.db2.gz SVNNQQYHZVDVJJ-HNNXBMFYSA-N -1 0 309.277 3.731 50 0 DHAARM CCSC[C@@H](C)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000078966788 563930134 /nfs/dbraw/zinc/93/01/34/563930134.db2.gz MIFHBGRAKQYNAP-SECBINFHSA-N -1 0 310.444 3.704 50 0 DHAARM O=c1nc[n-]c2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000009379812 563955536 /nfs/dbraw/zinc/95/55/36/563955536.db2.gz YBDIDSFBEUGCLT-UHFFFAOYSA-N -1 0 319.389 3.689 50 0 DHAARM O=C([O-])COc1ccc(/C=C\c2ccc3ccccc3n2)cc1 ZINC000033614795 957188188 /nfs/dbraw/zinc/18/81/88/957188188.db2.gz SLCJHJZWABSQGY-UITAMQMPSA-N -1 0 305.333 3.869 50 0 DHAARM CC[C@@H](O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003149468 1020058732 /nfs/dbraw/zinc/05/87/32/1020058732.db2.gz JMDRSUYRUDUONP-ZBFHGGJFSA-N -1 0 324.376 3.792 50 0 DHAARM CC(C)c1onc(-c2sccc2Br)c1C(=O)[O-] ZINC000675057317 1041321267 /nfs/dbraw/zinc/32/12/67/1041321267.db2.gz APMHXKGNNSUGEL-UHFFFAOYSA-N -1 0 316.176 3.987 50 0 DHAARM CC(C)c1ccc([C@@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1 ZINC000005522963 190621615 /nfs/dbraw/zinc/62/16/15/190621615.db2.gz PGJQECXMMIIEJK-GOSISDBHSA-N -1 0 323.392 3.982 50 0 DHAARM C[C@@H](Oc1ccc(CC(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000096997266 185395544 /nfs/dbraw/zinc/39/55/44/185395544.db2.gz ROVTUPDRPFNOBU-GFCCVEGCSA-N -1 0 324.336 3.504 50 0 DHAARM Cc1ccc2nc(NC(=O)c3ccccc3C(=O)[O-])sc2c1 ZINC000000119731 180699368 /nfs/dbraw/zinc/69/93/68/180699368.db2.gz ATEDNEHOSTWLKR-UHFFFAOYSA-N -1 0 312.350 3.555 50 0 DHAARM O=C([O-])c1ccccc1-c1cc(=O)c2cc(Cl)ccc2o1 ZINC000000148650 180708880 /nfs/dbraw/zinc/70/88/80/180708880.db2.gz HEJINZSBKHSUMR-UHFFFAOYSA-N -1 0 300.697 3.812 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000000191386 180720510 /nfs/dbraw/zinc/72/05/10/180720510.db2.gz IENKBVGYKUVPPX-DTWKUNHWSA-N -1 0 314.168 3.599 50 0 DHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000000372523 180770129 /nfs/dbraw/zinc/77/01/29/180770129.db2.gz KOTAEYIGZGZJQW-KGLIPLIRSA-N -1 0 307.777 3.726 50 0 DHAARM O=C([O-])[C@H]1CC[C@@H](CC(=O)c2cccc(Br)c2)C1 ZINC000002378340 180922021 /nfs/dbraw/zinc/92/20/21/180922021.db2.gz NCKYAKWDLTVLKC-KOLCDFICSA-N -1 0 311.175 3.523 50 0 DHAARM O=C([O-])c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000003895415 181053540 /nfs/dbraw/zinc/05/35/40/181053540.db2.gz VKRWBFSGXQMQKC-UHFFFAOYSA-N -1 0 313.397 3.930 50 0 DHAARM COc1cnc(SCc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000004002985 181061425 /nfs/dbraw/zinc/06/14/25/181061425.db2.gz XKHRMOZVOMGDSG-UHFFFAOYSA-N -1 0 316.304 3.502 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000004104975 181073560 /nfs/dbraw/zinc/07/35/60/181073560.db2.gz YQGXNUIEVYQZIU-UHFFFAOYSA-N -1 0 309.243 3.656 50 0 DHAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000004118459 181075419 /nfs/dbraw/zinc/07/54/19/181075419.db2.gz PTTOAHLULPCTIH-AWEZNQCLSA-N -1 0 321.735 3.617 50 0 DHAARM CC(C)[C@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC000004192746 181084038 /nfs/dbraw/zinc/08/40/38/181084038.db2.gz INLZWQCYKYWHOP-XQXASTNHSA-N -1 0 321.461 3.599 50 0 DHAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226497 181086154 /nfs/dbraw/zinc/08/61/54/181086154.db2.gz CKESPKRLANVTKC-UHFFFAOYSA-N -1 0 322.320 3.683 50 0 DHAARM CCc1ccccc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004651525 181132156 /nfs/dbraw/zinc/13/21/56/181132156.db2.gz QPNIHUYGLPWINJ-LSDHHAIUSA-N -1 0 301.386 3.635 50 0 DHAARM CCc1ccccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004651524 181132250 /nfs/dbraw/zinc/13/22/50/181132250.db2.gz QPNIHUYGLPWINJ-HUUCEWRRSA-N -1 0 301.386 3.635 50 0 DHAARM COc1ccc([C@H]2C(C(=O)[O-])=C(C)O[C@@H]2c2ccccc2)cc1 ZINC000004839599 181160606 /nfs/dbraw/zinc/16/06/06/181160606.db2.gz OMHMWPXVJHSGLF-ZWKOTPCHSA-N -1 0 310.349 3.909 50 0 DHAARM Nc1ccc2nc(SCc3ccc(C(=O)[O-])cc3)sc2c1 ZINC000005068896 181200655 /nfs/dbraw/zinc/20/06/55/181200655.db2.gz PKIBTTICVOLYBM-UHFFFAOYSA-N -1 0 316.407 3.869 50 0 DHAARM Cc1ccc(SCc2nc(=O)c3sccc3[n-]2)c(C)c1 ZINC000005263264 181223370 /nfs/dbraw/zinc/22/33/70/181223370.db2.gz KJNQDEFHTIATTG-UHFFFAOYSA-N -1 0 302.424 3.894 50 0 DHAARM O=C([O-])c1cc(/C=C/c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000005604880 181262734 /nfs/dbraw/zinc/26/27/34/181262734.db2.gz NDZDROAMZLBUJM-FNORWQNLSA-N -1 0 319.316 3.832 50 0 DHAARM CCOc1ccc(Oc2coc3c(C)c([O-])ccc3c2=O)cc1 ZINC000005906619 181295028 /nfs/dbraw/zinc/29/50/28/181295028.db2.gz GSDSXSRSLWFBER-UHFFFAOYSA-N -1 0 312.321 3.998 50 0 DHAARM Cc1cc([O-])cc2occ(-c3cnn(-c4ccccc4)c3)c(=O)c12 ZINC000006556535 181354523 /nfs/dbraw/zinc/35/45/23/181354523.db2.gz ZQVWVUZVKFZJIO-UHFFFAOYSA-N -1 0 318.332 3.660 50 0 DHAARM Cc1ccc(F)cc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000006698205 181371628 /nfs/dbraw/zinc/37/16/28/181371628.db2.gz VFNLBAQNDSQIRW-KGLIPLIRSA-N -1 0 305.349 3.520 50 0 DHAARM O=C([O-])CCSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000006746583 181381932 /nfs/dbraw/zinc/38/19/32/181381932.db2.gz OZTSRUDYAVAAAW-UHFFFAOYSA-N -1 0 319.169 3.610 50 0 DHAARM Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000220998833 201582045 /nfs/dbraw/zinc/58/20/45/201582045.db2.gz YDXXSZYRMKTPCP-ZTFGCOKTSA-N -1 0 309.365 3.938 50 0 DHAARM O=C([O-])c1cnc(/C=C\c2csc(-c3ccco3)n2)s1 ZINC000096402158 193618984 /nfs/dbraw/zinc/61/89/84/193618984.db2.gz RBTHSRFMMGBHCU-ARJAWSKDSA-N -1 0 304.352 3.728 50 0 DHAARM CCC(CC)N1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000008729713 181580538 /nfs/dbraw/zinc/58/05/38/181580538.db2.gz GSDOSNHMOWITKP-GOEBONIOSA-N -1 0 323.820 3.893 50 0 DHAARM O=C([O-])c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 ZINC000012505848 181768549 /nfs/dbraw/zinc/76/85/49/181768549.db2.gz JBUKVAKIRSAPNC-UHFFFAOYSA-N -1 0 306.293 3.577 50 0 DHAARM Cc1sc(-c2cccc(C(F)(F)F)c2)nc1CC(=O)[O-] ZINC000012336487 181751651 /nfs/dbraw/zinc/75/16/51/181751651.db2.gz HSUPZZFFKVGVFA-UHFFFAOYSA-N -1 0 301.289 3.764 50 0 DHAARM O=C([O-])c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000013166577 181835494 /nfs/dbraw/zinc/83/54/94/181835494.db2.gz MCYJXDRIVHZLQJ-UHFFFAOYSA-N -1 0 301.367 3.506 50 0 DHAARM CC(=O)c1cc2c(cc1O)[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000015252718 181993633 /nfs/dbraw/zinc/99/36/33/181993633.db2.gz SAGXNMAORPXGSC-NEWSRXKRSA-N -1 0 316.397 3.690 50 0 DHAARM O=C([O-])Cc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000020391170 182213989 /nfs/dbraw/zinc/21/39/89/182213989.db2.gz BBFVALMQOBPKTJ-UHFFFAOYSA-N -1 0 307.143 3.869 50 0 DHAARM Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)[O-])c12 ZINC000020515559 182226548 /nfs/dbraw/zinc/22/65/48/182226548.db2.gz AEUFPILQCBIRIS-UHFFFAOYSA-N -1 0 315.760 3.697 50 0 DHAARM Cc1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(=O)[O-])n2n1 ZINC000020605016 182237307 /nfs/dbraw/zinc/23/73/07/182237307.db2.gz SGLZNJARJGUPQT-UHFFFAOYSA-N -1 0 322.151 3.710 50 0 DHAARM O=C([O-])[C@H]1CC[C@@H](CC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000098090536 193784290 /nfs/dbraw/zinc/78/42/90/193784290.db2.gz RJAQVGQGSOPVMH-KOLCDFICSA-N -1 0 300.276 3.779 50 0 DHAARM COc1ccc([C@@H](CC(C)C)C(=O)[O-])cc1Br ZINC000041511870 183196101 /nfs/dbraw/zinc/19/61/01/183196101.db2.gz FRXNSYCLGKFMOR-SNVBAGLBSA-N -1 0 301.180 3.672 50 0 DHAARM O=C([O-])c1cnc(/C=C/c2cc(Br)cs2)s1 ZINC000058161763 184082717 /nfs/dbraw/zinc/08/27/17/184082717.db2.gz JPNDASDZHUQXKA-OWOJBTEDSA-N -1 0 316.201 3.836 50 0 DHAARM Cc1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063808953 184289296 /nfs/dbraw/zinc/28/92/96/184289296.db2.gz PGZVJRJNYNBRKD-UHFFFAOYSA-N -1 0 311.366 3.559 50 0 DHAARM CCc1c(C)nc2c(-c3cccc(Cl)c3)c(C)[n-]n2c1=O ZINC000065364590 184328631 /nfs/dbraw/zinc/32/86/31/184328631.db2.gz HUBURZYJIWWZKV-UHFFFAOYSA-N -1 0 301.777 3.522 50 0 DHAARM Cc1ccc2c(n1)[n-]cc(-c1nc(-c3ccccc3C)no1)c2=O ZINC000409444219 257217171 /nfs/dbraw/zinc/21/71/71/257217171.db2.gz LDLUZFNCRHTTCT-UHFFFAOYSA-N -1 0 318.336 3.669 50 0 DHAARM O=C([O-])CSc1ccc(C(=O)/C=C\c2ccsc2)cc1F ZINC000096765786 257212192 /nfs/dbraw/zinc/21/21/92/257212192.db2.gz NXSHHSWXSBHTBC-IWQZZHSRSA-N -1 0 322.382 3.960 50 0 DHAARM Cc1cc(C(F)(F)F)nc([N-]c2nc(C)c3ccccc3n2)n1 ZINC000018024932 431616508 /nfs/dbraw/zinc/61/65/08/431616508.db2.gz IUPWUZSLIMVDAZ-UHFFFAOYSA-N -1 0 319.290 3.799 50 0 DHAARM CCc1cc2c([n-]c(=S)n(Cc3ccc(F)cc3)c2=O)s1 ZINC000006564803 331496867 /nfs/dbraw/zinc/49/68/67/331496867.db2.gz NKCVDYKJOHRCFK-UHFFFAOYSA-N -1 0 320.414 3.870 50 0 DHAARM CC(C)c1nc(/C=C\c2cc(F)c(F)c(F)c2)ncc1C(=O)[O-] ZINC000255144378 331715724 /nfs/dbraw/zinc/71/57/24/331715724.db2.gz JWZCAHHBJVWQSO-ARJAWSKDSA-N -1 0 322.286 3.886 50 0 DHAARM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)s1 ZINC000237974047 526361109 /nfs/dbraw/zinc/36/11/09/526361109.db2.gz OMPFGKOOAMSYND-UHFFFAOYSA-N -1 0 319.382 3.624 50 0 DHAARM CC[C@@H](c1cccc(C(=O)[O-])c1)[C@@H](C(C)=O)c1ccc(O)cc1 ZINC000001602624 563287392 /nfs/dbraw/zinc/28/73/92/563287392.db2.gz SQTDYMQRTGUSGR-ROUUACIJSA-N -1 0 312.365 3.957 50 0 in-vitro DHAARM CC[C@H](c1cccc(C(=O)[O-])c1)[C@H](C(C)=O)c1ccc(O)cc1 ZINC000001602623 563287471 /nfs/dbraw/zinc/28/74/71/563287471.db2.gz SQTDYMQRTGUSGR-QZTJIDSGSA-N -1 0 312.365 3.957 50 0 in-vitro DHAARM O=S(=O)([O-])c1cc(O)c2cc(Nc3ccccc3)ccc2c1 ZINC000001648162 563289422 /nfs/dbraw/zinc/28/94/22/563289422.db2.gz QEAYLNJEDDOYNQ-UHFFFAOYSA-N -1 0 315.350 3.536 50 0 DHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000002389705 563303651 /nfs/dbraw/zinc/30/36/51/563303651.db2.gz NGWQIBYYDHXJJR-AWEZNQCLSA-N -1 0 321.417 3.505 50 0 DHAARM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)[O-])cc12 ZINC000003321828 563324642 /nfs/dbraw/zinc/32/46/42/563324642.db2.gz ZSGWVFWZMFVAGE-UHFFFAOYSA-N -1 0 306.774 3.806 50 0 DHAARM CC(C)Cn1c(=O)c2c3c(sc2[n-]c1=S)C[C@@H](C)CC3 ZINC000006511842 563332758 /nfs/dbraw/zinc/33/27/58/563332758.db2.gz KOBVSEIZNRYRFN-VIFPVBQESA-N -1 0 308.472 3.901 50 0 DHAARM CCC(CC)N1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000012336305 563366286 /nfs/dbraw/zinc/36/62/86/563366286.db2.gz GSDOSNHMOWITKP-GDBMZVCRSA-N -1 0 323.820 3.893 50 0 DHAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1Cc1cccs1 ZINC000004370973 563374895 /nfs/dbraw/zinc/37/48/95/563374895.db2.gz GVTNRAQALXTRFZ-UHFFFAOYSA-N -1 0 314.391 3.915 50 0 DHAARM [O-]c1ccccc1-c1nc2ccccc2c(NC[C@H]2CCCO2)n1 ZINC000013127599 563378917 /nfs/dbraw/zinc/37/89/17/563378917.db2.gz PHPIKMLQXFBRGD-CYBMUJFWSA-N -1 0 321.380 3.593 50 0 DHAARM Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000015017249 563405571 /nfs/dbraw/zinc/40/55/71/563405571.db2.gz YDXXSZYRMKTPCP-WBAXXEDZSA-N -1 0 309.365 3.938 50 0 DHAARM CC(C)c1nnc(-c2ccnc(-c3ccc(C(=O)[O-])cc3)c2)o1 ZINC000032918987 563444424 /nfs/dbraw/zinc/44/44/24/563444424.db2.gz LHBZMSJRQNKWBH-UHFFFAOYSA-N -1 0 309.325 3.620 50 0 DHAARM CCCc1onc(C)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000097035400 563504137 /nfs/dbraw/zinc/50/41/37/563504137.db2.gz OMIDYPVSEHPVLX-UHFFFAOYSA-N -1 0 322.748 3.539 50 0 DHAARM Cc1cc2nc(CSc3ccc(Cl)cc3)cc(=O)n2[n-]1 ZINC000100312527 563549378 /nfs/dbraw/zinc/54/93/78/563549378.db2.gz LXGGLQZWJHWJPD-UHFFFAOYSA-N -1 0 305.790 3.689 50 0 DHAARM Cc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000000117216 563570952 /nfs/dbraw/zinc/57/09/52/563570952.db2.gz VBXADSYAHBDMSY-HNNXBMFYSA-N -1 0 317.772 3.594 50 0 DHAARM O=C([O-])c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000000314214 563587391 /nfs/dbraw/zinc/58/73/91/563587391.db2.gz PGJGNQQEQTZIQK-UHFFFAOYSA-N -1 0 315.394 3.506 50 0 DHAARM COc1ccccc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000527720 563630450 /nfs/dbraw/zinc/63/04/50/563630450.db2.gz YVAVMJIIJFOHFE-UHFFFAOYSA-N -1 0 312.152 3.960 50 0 DHAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[N-]OCc1ccccc1 ZINC000012799138 563654101 /nfs/dbraw/zinc/65/41/01/563654101.db2.gz JGBYMPKNXKVOGS-ZDUSSCGKSA-N -1 0 319.788 3.664 50 0 DHAARM Cc1cc(O[C@@H](C)C(=O)[O-])c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000518545 563662611 /nfs/dbraw/zinc/66/26/11/563662611.db2.gz HEYIRNNMPLLLID-LBPRGKRZSA-N -1 0 324.332 3.620 50 0 biogenic DHAARM Cc1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1C ZINC000103647299 563669790 /nfs/dbraw/zinc/66/97/90/563669790.db2.gz DQMFIEZMSFWTHH-UHFFFAOYSA-N -1 0 302.424 3.786 50 0 DHAARM O=C([O-])CC/C(=C\c1csnn1)c1nc2ccccc2s1 ZINC000045745708 563690218 /nfs/dbraw/zinc/69/02/18/563690218.db2.gz PPGSGMLOTZVOOT-VQHVLOKHSA-N -1 0 317.395 3.553 50 0 DHAARM Cc1cc(-c2cncc(C(=O)[O-])n2)ccc1OCc1ccccc1 ZINC000215616509 563706414 /nfs/dbraw/zinc/70/64/14/563706414.db2.gz KUTDNFCVDDGXQH-UHFFFAOYSA-N -1 0 320.348 3.729 50 0 DHAARM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc2cccnc21 ZINC000000423475 563723851 /nfs/dbraw/zinc/72/38/51/563723851.db2.gz WVGYHLJEPXJSCQ-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM [O-]c1cc(Br)cc(OC(F)F)c1Br ZINC000263624191 563794729 /nfs/dbraw/zinc/79/47/29/563794729.db2.gz OFEBLZTXTZDYQJ-UHFFFAOYSA-N -1 0 317.911 3.519 50 0 DHAARM CCCOc1ccc([C@H](Nc2ccccc2)[P@@](=O)([O-])O)cc1 ZINC000012523575 563797517 /nfs/dbraw/zinc/79/75/17/563797517.db2.gz ODSARMBXMVWRDB-MRXNPFEDSA-N -1 0 321.313 3.764 50 0 DHAARM COc1ccc(C(=O)c2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC000001602137 563846778 /nfs/dbraw/zinc/84/67/78/563846778.db2.gz HWXVPNFWOIIGGN-UHFFFAOYSA-N -1 0 306.317 3.778 50 0 DHAARM O=C([O-])/C=C/c1ccc(NC(=O)c2cccc3cc[nH]c32)cc1 ZINC000096426899 563875626 /nfs/dbraw/zinc/87/56/26/563875626.db2.gz ROMVRBWWHKVNPE-RMKNXTFCSA-N -1 0 306.321 3.518 50 0 DHAARM O=C([O-])c1cccc(NN=C2CCCOc3ccc(F)cc32)c1 ZINC000252474723 563885452 /nfs/dbraw/zinc/88/54/52/563885452.db2.gz KVVWDMXITBZWOS-UHFFFAOYSA-N -1 0 314.316 3.513 50 0 DHAARM CCOc1ccc(CN(C)C(=O)c2cc(Cl)ccc2O)cc1 ZINC000036147332 563894047 /nfs/dbraw/zinc/89/40/47/563894047.db2.gz IABJNNRUZPWAQJ-UHFFFAOYSA-N -1 0 319.788 3.717 50 0 DHAARM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000007057609 563901963 /nfs/dbraw/zinc/90/19/63/563901963.db2.gz IDRPILLJTYVIQF-JTQLQIEISA-N -1 0 308.403 3.606 50 0 DHAARM CSc1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1F ZINC000089657277 563910962 /nfs/dbraw/zinc/91/09/62/563910962.db2.gz AJUMDVKCZNIXLQ-UHFFFAOYSA-N -1 0 317.432 3.718 50 0 DHAARM Cc1cc(C(C)(C)C)oc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000000269397 563912716 /nfs/dbraw/zinc/91/27/16/563912716.db2.gz KCPWNASIAHRMBD-UHFFFAOYSA-N -1 0 315.369 3.765 50 0 DHAARM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000263290896 563945518 /nfs/dbraw/zinc/94/55/18/563945518.db2.gz MEBRIFMAFQATFJ-JTQLQIEISA-N -1 0 311.328 3.639 50 0 DHAARM O=C([O-])c1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 ZINC000008429625 563948565 /nfs/dbraw/zinc/94/85/65/563948565.db2.gz BRSFVTLKUQGOLY-UHFFFAOYSA-N -1 0 315.325 3.991 50 0 DHAARM CC(C)(C)c1coc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000606443098 1019543958 /nfs/dbraw/zinc/54/39/58/1019543958.db2.gz VNBAYUMEDVHLCN-HJWRWDBZSA-N -1 0 324.377 3.524 50 0 DHAARM COc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000033531159 1021504188 /nfs/dbraw/zinc/50/41/88/1021504188.db2.gz VSDQVGRKPJRDGJ-RAXLEYEMSA-N -1 0 309.321 3.852 50 0 DHAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000000364273 1023936587 /nfs/dbraw/zinc/93/65/87/1023936587.db2.gz VRSDWHXUZQJOKF-UHFFFAOYSA-N -1 0 318.442 3.642 50 0 DHAARM CC(C)Cc1ccc(-c2[nH]nc(C(=O)[O-])c2Br)cc1 ZINC000259137207 1024384251 /nfs/dbraw/zinc/38/42/51/1024384251.db2.gz FCAGZDZMRMWOFB-UHFFFAOYSA-N -1 0 323.190 3.736 50 0 DHAARM O=C([O-])c1ccc(/C=C2/C(=O)c3ccccc3OC23CCC3)cc1 ZINC000095409498 1024557010 /nfs/dbraw/zinc/55/70/10/1024557010.db2.gz FLYJAQNLVKXGEW-VBKFSLOCSA-N -1 0 320.344 3.966 50 0 DHAARM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000007000952 190627793 /nfs/dbraw/zinc/62/77/93/190627793.db2.gz VSDQVGRKPJRDGJ-JLHYYAGUSA-N -1 0 309.321 3.852 50 0 DHAARM Cc1cscc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000097014506 185397222 /nfs/dbraw/zinc/39/72/22/185397222.db2.gz NCIOYTUGCGBALE-UHFFFAOYSA-N -1 0 303.383 3.671 50 0 DHAARM O=C(CSc1n[nH]c(=O)[n-]1)c1ccc(C2CCCCC2)cc1 ZINC000170600457 197785077 /nfs/dbraw/zinc/78/50/77/197785077.db2.gz HRERQTWKPAXZGK-UHFFFAOYSA-N -1 0 317.414 3.533 50 0 DHAARM O=C([O-])/C=C/C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000000031444 180671880 /nfs/dbraw/zinc/67/18/80/180671880.db2.gz RDIYWXLDIARVDR-BQYQJAHWSA-N -1 0 324.361 3.543 50 0 DHAARM CC[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000000076958 180685740 /nfs/dbraw/zinc/68/57/40/180685740.db2.gz RIESFNLXSIWHHP-CQSZACIVSA-N -1 0 307.353 3.572 50 0 DHAARM Cc1ccc(NC(=O)[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1C ZINC000000097671 180691177 /nfs/dbraw/zinc/69/11/77/180691177.db2.gz AOWNFIRTSCJTCQ-KDOFPFPSSA-N -1 0 303.402 3.769 50 0 DHAARM CC[C@@H](CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000000529345 180814224 /nfs/dbraw/zinc/81/42/24/180814224.db2.gz JLPGUYIBZABPAC-QMMMGPOBSA-N -1 0 304.173 3.823 50 0 DHAARM O=C([O-])CCCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000000857571 180836161 /nfs/dbraw/zinc/83/61/61/180836161.db2.gz IIJUBVWFHJOKHS-UHFFFAOYSA-N -1 0 324.336 3.688 50 0 DHAARM CCCCOC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000004178881 181082588 /nfs/dbraw/zinc/08/25/88/181082588.db2.gz CWJHYFNIOCNYGI-UHFFFAOYSA-N -1 0 309.366 3.617 50 0 DHAARM NC(=O)CCCCCCCCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004190641 181083905 /nfs/dbraw/zinc/08/39/05/181083905.db2.gz UMSQZSNAZSYHPJ-KRWDZBQOSA-N -1 0 319.445 3.926 50 0 DHAARM Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(C)=CC[C@H]1C(=O)[O-] ZINC000004662584 181133556 /nfs/dbraw/zinc/13/35/56/181133556.db2.gz LRUGNWKDBAYQGL-VXGBXAGGSA-N -1 0 307.777 3.644 50 0 DHAARM Cc1cccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1C ZINC000004724096 181142269 /nfs/dbraw/zinc/14/22/69/181142269.db2.gz ZBGXCMJLVANBLQ-CABCVRRESA-N -1 0 301.386 3.689 50 0 DHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1 ZINC000004803918 181153937 /nfs/dbraw/zinc/15/39/37/181153937.db2.gz RWXGSIZUGMFQJI-KBPBESRZSA-N -1 0 307.777 3.726 50 0 DHAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000004905444 181171834 /nfs/dbraw/zinc/17/18/34/181171834.db2.gz HIEBUDJHJYAXFV-UHFFFAOYSA-N -1 0 307.318 3.568 50 0 DHAARM CC(C)C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000005219389 181218509 /nfs/dbraw/zinc/21/85/09/181218509.db2.gz YRXJELRNAAJWSX-JTQLQIEISA-N -1 0 319.188 3.614 50 0 DHAARM Cc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000005209644 181216826 /nfs/dbraw/zinc/21/68/26/181216826.db2.gz VUKDTQVURZNLJT-UHFFFAOYSA-N -1 0 315.376 3.589 50 0 DHAARM COc1cccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)c1 ZINC000005269471 181225162 /nfs/dbraw/zinc/22/51/62/181225162.db2.gz VWYCKNBZTZIJTO-UKTHLTGXSA-N -1 0 309.321 3.852 50 0 DHAARM CC1(C)[C@@H](C(=O)Nc2cccc(Cl)c2)CC[C@@]1(C)C(=O)[O-] ZINC000005482330 181248593 /nfs/dbraw/zinc/24/85/93/181248593.db2.gz LVYAYVHCJMDWCN-WBMJQRKESA-N -1 0 309.793 3.806 50 0 DHAARM Cc1ccccc1Nc1c(C(=O)[O-])c[nH+]c2ccc(C(=O)[O-])cc21 ZINC000005510777 181251135 /nfs/dbraw/zinc/25/11/35/181251135.db2.gz JOJXXNGTCZVZEH-UHFFFAOYSA-N -1 0 322.320 3.683 50 0 DHAARM CCCCn1c(=O)c2c3c(sc2[n-]c1=S)CCCCC3 ZINC000005690439 181273198 /nfs/dbraw/zinc/27/31/98/181273198.db2.gz ZYHKBPKEFYXARM-UHFFFAOYSA-N -1 0 308.472 3.816 50 0 DHAARM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(-c2ccc(F)cc2)n1 ZINC000236860184 202040591 /nfs/dbraw/zinc/04/05/91/202040591.db2.gz FYMLWWMDXDSEHH-LLVKDONJSA-N -1 0 322.405 3.634 50 0 DHAARM C[C@@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1cccc(F)c1 ZINC000237319478 202230530 /nfs/dbraw/zinc/23/05/30/202230530.db2.gz XQKMFBMIWPVZBQ-BBRMVZONSA-N -1 0 321.392 3.565 50 0 DHAARM Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2s1 ZINC000007505258 181470458 /nfs/dbraw/zinc/47/04/58/181470458.db2.gz XNXHCSQFZPSVNG-UHFFFAOYSA-N -1 0 322.386 3.545 50 0 DHAARM Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000013250341 181839865 /nfs/dbraw/zinc/83/98/65/181839865.db2.gz ZFSPWHPXARNZOZ-ZDUSSCGKSA-N -1 0 317.772 3.845 50 0 DHAARM COc1ccc(CNc2ccc(C(=O)[O-])c(Cl)c2)c(OC)c1 ZINC000016578943 182050492 /nfs/dbraw/zinc/05/04/92/182050492.db2.gz PYDRFMQJLDFWHD-UHFFFAOYSA-N -1 0 321.760 3.668 50 0 DHAARM Cc1cc2c([n-]c(=S)n(CCc3ccc(F)cc3)c2=O)s1 ZINC000017055345 182072607 /nfs/dbraw/zinc/07/26/07/182072607.db2.gz NXESVDGJBWNFDN-UHFFFAOYSA-N -1 0 320.414 3.811 50 0 DHAARM Fc1ccc2nc([N-]c3ncccn3)nc(-c3ccccc3)c2c1 ZINC000020102289 182186638 /nfs/dbraw/zinc/18/66/38/182186638.db2.gz ZIPYZODUPNBDRW-UHFFFAOYSA-N -1 0 317.327 3.970 50 0 DHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000021956730 182300455 /nfs/dbraw/zinc/30/04/55/182300455.db2.gz FXUMVFKWQOPVTE-NJAFHUGGSA-N -1 0 323.392 3.698 50 0 DHAARM C[C@H]1Cc2cc(-c3cc(C(=O)[O-])c4ccccc4n3)ccc2O1 ZINC000031775909 182623537 /nfs/dbraw/zinc/62/35/37/182623537.db2.gz DUHXYVGXFLZVCF-NSHDSACASA-N -1 0 305.333 3.923 50 0 DHAARM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2[n-]c(=S)sc2c1 ZINC000100644792 193802223 /nfs/dbraw/zinc/80/22/23/193802223.db2.gz RULDCEFLBBDYIR-UWVGGRQHSA-N -1 0 318.423 3.638 50 0 DHAARM COc1cccc(C(=O)[O-])c1OCc1ccc(F)cc1Cl ZINC000034927115 182745114 /nfs/dbraw/zinc/74/51/14/182745114.db2.gz DHOWMOKYOOAHQM-UHFFFAOYSA-N -1 0 310.708 3.765 50 0 DHAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(NC3CC3)n2)c1 ZINC000041149603 183177812 /nfs/dbraw/zinc/17/78/12/183177812.db2.gz GBYOMUKGUVXFIY-UHFFFAOYSA-N -1 0 320.352 3.646 50 0 DHAARM O=C([O-])[C@@H]1CC[C@H](CC(=O)c2cccc(Br)c2)C1 ZINC000043879061 183388670 /nfs/dbraw/zinc/38/86/70/183388670.db2.gz NCKYAKWDLTVLKC-GXSJLCMTSA-N -1 0 311.175 3.523 50 0 DHAARM CCn1c2ccccc2nc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000021592535 257210762 /nfs/dbraw/zinc/21/07/62/257210762.db2.gz YZPQWLAVKPQDLY-UHFFFAOYSA-N -1 0 315.760 3.668 50 0 DHAARM CCC[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000238950524 257260238 /nfs/dbraw/zinc/26/02/38/257260238.db2.gz YMVGSAHCPGFRPV-BRWVUGGUSA-N -1 0 317.429 3.578 50 0 DHAARM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000028225480 425820286 /nfs/dbraw/zinc/82/02/86/425820286.db2.gz WJKGFSNFLQXBPB-UHFFFAOYSA-N -1 0 323.226 3.559 50 0 DHAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000262309636 332636845 /nfs/dbraw/zinc/63/68/45/332636845.db2.gz POFLMAUODDHNMA-MWLCHTKSSA-N -1 0 315.291 3.692 50 0 DHAARM O=C([O-])c1ccc2nc(/C=C\c3ccc(F)c(F)c3)oc2c1 ZINC000439276054 338365801 /nfs/dbraw/zinc/36/58/01/338365801.db2.gz MABPOLQHMRGDKC-KXFIGUGUSA-N -1 0 301.248 3.975 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000233242 563846116 /nfs/dbraw/zinc/84/61/16/563846116.db2.gz RPUFBGAIJXSOAN-ZJUUUORDSA-N -1 0 316.184 3.823 50 0 DHAARM O=C([O-])c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 ZINC000000149993 563224761 /nfs/dbraw/zinc/22/47/61/563224761.db2.gz MYDIGMNTURCKBI-UHFFFAOYSA-N -1 0 303.261 3.684 50 0 DHAARM CC(C)Cn1c(=O)c2c3c(sc2[n-]c1=S)C[C@H](C)CC3 ZINC000006511708 563332295 /nfs/dbraw/zinc/33/22/95/563332295.db2.gz KOBVSEIZNRYRFN-SECBINFHSA-N -1 0 308.472 3.901 50 0 DHAARM O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000173296 563227966 /nfs/dbraw/zinc/22/79/66/563227966.db2.gz DBMJPCJUQPOGII-UHFFFAOYSA-N -1 0 310.378 3.920 50 0 DHAARM C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000000217550 563231611 /nfs/dbraw/zinc/23/16/11/563231611.db2.gz LUZOPIUNJBJASD-LRDDRELGSA-N -1 0 315.344 3.659 50 0 DHAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000000217538 563231641 /nfs/dbraw/zinc/23/16/41/563231641.db2.gz LUZOPIUNJBJASD-BLLLJJGKSA-N -1 0 315.344 3.659 50 0 DHAARM O=C([O-])c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000000255475 563233956 /nfs/dbraw/zinc/23/39/56/563233956.db2.gz MFCIBMPTHZCBFX-UHFFFAOYSA-N -1 0 315.332 3.762 50 0 DHAARM O=S(=O)([N-]c1cccnc1)c1ccc(C2CCCCC2)cc1 ZINC000000270096 563234811 /nfs/dbraw/zinc/23/48/11/563234811.db2.gz RFAKEMQYHCBBIJ-UHFFFAOYSA-N -1 0 316.426 3.930 50 0 DHAARM O=C([O-])C[C@H](c1ccccc1)c1cc(Br)ccc1O ZINC000000312399 563239737 /nfs/dbraw/zinc/23/97/37/563239737.db2.gz FBEXBGDUKSAFSF-GFCCVEGCSA-N -1 0 321.170 3.761 50 0 DHAARM Cc1ccc(C(=O)C[C@@H](C(=O)[O-])c2cn(C)c3ccccc23)cc1 ZINC000000384265 563248292 /nfs/dbraw/zinc/24/82/92/563248292.db2.gz OBLFEDIZUACLAQ-MRXNPFEDSA-N -1 0 321.376 3.928 50 0 DHAARM Cc1cccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000000464563 563259723 /nfs/dbraw/zinc/25/97/23/563259723.db2.gz ZMQQHRJMPRPNFG-XNTDXEJSSA-N -1 0 315.756 3.504 50 0 DHAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000000812381 563271963 /nfs/dbraw/zinc/27/19/63/563271963.db2.gz LWFZGVUXTBSSHN-UHFFFAOYSA-N -1 0 308.211 3.856 50 0 DHAARM O=C([O-])c1cccc(Cn2nc(C(F)F)cc2C(F)F)c1 ZINC000002549574 563308243 /nfs/dbraw/zinc/30/82/43/563308243.db2.gz GKACXWGDIMCKNC-UHFFFAOYSA-N -1 0 302.227 3.505 50 0 DHAARM O=C([O-])c1ccccc1N(Cc1ccccc1)C(=O)c1ccco1 ZINC000003170787 563323113 /nfs/dbraw/zinc/32/31/13/563323113.db2.gz XINUKQKUNDZFFK-UHFFFAOYSA-N -1 0 321.332 3.825 50 0 DHAARM COc1ccc([C@H](C)n2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000002790937 563342015 /nfs/dbraw/zinc/34/20/15/563342015.db2.gz JPAFZNBWVKXGHN-NSHDSACASA-N -1 0 312.394 3.677 50 0 DHAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000008132579 563344454 /nfs/dbraw/zinc/34/44/54/563344454.db2.gz MSOBSDCMBNCZPP-UHFFFAOYSA-N -1 0 319.426 3.675 50 0 DHAARM O=C([O-])COc1ccc(-c2ccccc2)cc1Br ZINC000008567403 563348129 /nfs/dbraw/zinc/34/81/29/563348129.db2.gz ZFHOSCKBZZRRJE-UHFFFAOYSA-N -1 0 307.143 3.580 50 0 DHAARM Cc1ccc(-n2c(=O)cc([O-])nc2SCc2ccccc2)cc1 ZINC000008716686 563350110 /nfs/dbraw/zinc/35/01/10/563350110.db2.gz LYMWZCZMBIIRJZ-UHFFFAOYSA-N -1 0 324.405 3.539 50 0 DHAARM CC(C)COc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000008723008 563350153 /nfs/dbraw/zinc/35/01/53/563350153.db2.gz WSXYVWNIJHEZJR-UONOGXRCSA-N -1 0 319.401 3.551 50 0 DHAARM Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)[O-])c12 ZINC000009738548 563354527 /nfs/dbraw/zinc/35/45/27/563354527.db2.gz VLIGFVSYYSWUCV-UHFFFAOYSA-N -1 0 322.242 3.915 50 0 DHAARM Cc1ccc(C(=O)Nc2c3cccnc3sc2C(=O)[O-])cc1 ZINC000010343831 563356349 /nfs/dbraw/zinc/35/63/49/563356349.db2.gz KZYYVNLNLHXKDE-UHFFFAOYSA-N -1 0 312.350 3.555 50 0 DHAARM COc1cccc(-c2noc3nc(C(C)C)cc(C(=O)[O-])c32)c1 ZINC000012397982 563368486 /nfs/dbraw/zinc/36/84/86/563368486.db2.gz GOMRTBLXESXNNC-UHFFFAOYSA-N -1 0 312.325 3.720 50 0 DHAARM Oc1ccc(-c2csc(COc3ccc(F)cc3)n2)c(O)c1 ZINC000014129515 563396171 /nfs/dbraw/zinc/39/61/71/563396171.db2.gz JAMVGXIRAKVPAE-UHFFFAOYSA-N -1 0 317.341 3.939 50 0 DHAARM O=C([O-])c1ccccc1OCCCOc1cccc2cccnc21 ZINC000005898257 563419900 /nfs/dbraw/zinc/41/99/00/563419900.db2.gz HAYGVCOAEBIPLA-UHFFFAOYSA-N -1 0 323.348 3.781 50 0 DHAARM COc1cccc(Oc2cc(-c3cccc(C(=O)[O-])c3)ncn2)c1 ZINC000032918494 563443993 /nfs/dbraw/zinc/44/39/93/563443993.db2.gz DITRJXRNOGGQDG-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM COCCCn1c(C)c(C(=O)[O-])c(C)c1-c1ccc(OC)cc1 ZINC000032920085 563444291 /nfs/dbraw/zinc/44/42/91/563444291.db2.gz VTAYNXCWVIIWLT-UHFFFAOYSA-N -1 0 317.385 3.515 50 0 DHAARM CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000044831593 563462437 /nfs/dbraw/zinc/46/24/37/563462437.db2.gz CBFFDJYYWUYODE-HNNXBMFYSA-N -1 0 315.369 3.533 50 0 DHAARM O=C([O-])C1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000071978967 563502042 /nfs/dbraw/zinc/50/20/42/563502042.db2.gz MWXCWRZVUVDGSI-HNNXBMFYSA-N -1 0 300.745 3.732 50 0 DHAARM CCCc1c(C)nc2ccc(OC)cc2c1SCC(=O)[O-] ZINC000000366780 563590764 /nfs/dbraw/zinc/59/07/64/563590764.db2.gz WEZPCVGNHNLGIM-UHFFFAOYSA-N -1 0 305.399 3.681 50 0 DHAARM O=C([O-])/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000000261316 563629397 /nfs/dbraw/zinc/62/93/97/563629397.db2.gz WRSQBHLTGLFCSJ-RUDMXATFSA-N -1 0 301.729 3.690 50 0 DHAARM CC(C)CCSc1nc2ccccc2n1C(=O)CCC(=O)[O-] ZINC000000502061 563653404 /nfs/dbraw/zinc/65/34/04/563653404.db2.gz VCBBGLMTOCPWGT-UHFFFAOYSA-N -1 0 320.414 3.680 50 0 DHAARM Cc1cc(O[C@H](C)C(=O)[O-])c2c(c1)oc(=O)cc2-c1ccccc1 ZINC000000518546 563662360 /nfs/dbraw/zinc/66/23/60/563662360.db2.gz HEYIRNNMPLLLID-GFCCVEGCSA-N -1 0 324.332 3.620 50 0 biogenic DHAARM Cc1ccc(N[C@@H](c2ccc(F)c(F)c2)[P@@](=O)([O-])O)cc1 ZINC000012523582 563797540 /nfs/dbraw/zinc/79/75/40/563797540.db2.gz DIYUIHZKACJXBU-CQSZACIVSA-N -1 0 313.240 3.562 50 0 DHAARM CCC1CCC(Nc2ccc(OC)cc2)([P@@](=O)([O-])O)CC1 ZINC000012538237 563798982 /nfs/dbraw/zinc/79/89/82/563798982.db2.gz YAWVDWLZFPOHOQ-UHFFFAOYSA-N -1 0 313.334 3.581 50 0 DHAARM Cc1ccc(-c2ccc(C(=O)[O-])c(N3CCCCC3)n2)s1 ZINC000299779435 563805722 /nfs/dbraw/zinc/80/57/22/563805722.db2.gz RTPXJLLTYRMDOH-UHFFFAOYSA-N -1 0 302.399 3.807 50 0 DHAARM O=C(Nc1ccc2c(c1)COC2)c1ccc2[n-]c(=S)oc2c1 ZINC000092615452 563882798 /nfs/dbraw/zinc/88/27/98/563882798.db2.gz UVDVKNQKCQZCHD-UHFFFAOYSA-N -1 0 312.350 3.773 50 0 DHAARM CC(=NNc1nnc2c3cccc(C)c3nc-2[n-]1)c1cccs1 ZINC000252609300 563887759 /nfs/dbraw/zinc/88/77/59/563887759.db2.gz HQYWGKRMVLQIDX-UHFFFAOYSA-N -1 0 322.397 3.712 50 0 DHAARM CCC[C@H](CC(=O)[O-])c1cc(Br)ccc1OC ZINC000036178856 563887940 /nfs/dbraw/zinc/88/79/40/563887940.db2.gz OUFKCUDWVWMBHK-SECBINFHSA-N -1 0 301.180 3.816 50 0 DHAARM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2OCC)cc1 ZINC000007057432 563901908 /nfs/dbraw/zinc/90/19/08/563901908.db2.gz GUYFLASLPOTCDR-UHFFFAOYSA-N -1 0 319.426 3.839 50 0 DHAARM COc1ccc(-c2cc(C(=O)[O-])c3ccc(OC)cc3n2)cc1 ZINC000003148572 563905821 /nfs/dbraw/zinc/90/58/21/563905821.db2.gz FFMMVMRDDWAUMA-UHFFFAOYSA-N -1 0 309.321 3.617 50 0 DHAARM O=C([O-])c1ccc(CNC(=O)Nc2cccc3ccccc32)cc1 ZINC000013319987 563909428 /nfs/dbraw/zinc/90/94/28/563909428.db2.gz HLWYKGVYIXUEMT-UHFFFAOYSA-N -1 0 320.348 3.860 50 0 DHAARM Cc1ccc(/C(=C\C(=O)Nc2cccc(C)c2C)C(=O)[O-])cc1 ZINC000195750453 563920070 /nfs/dbraw/zinc/92/00/70/563920070.db2.gz MUKWPYMMBLBGEK-LFIBNONCSA-N -1 0 309.365 3.719 50 0 DHAARM CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)[O-])c1 ZINC000114450652 563925048 /nfs/dbraw/zinc/92/50/48/563925048.db2.gz BXOPNHUQVVADJE-UHFFFAOYSA-N -1 0 306.383 3.855 50 0 DHAARM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC2(CCC2)C1 ZINC000095965539 563932663 /nfs/dbraw/zinc/93/26/63/563932663.db2.gz DGXBFJCZWBOKKO-UHFFFAOYSA-N -1 0 300.185 3.715 50 0 DHAARM Cc1ccc(-c2sc(-c3cccnc3)nc2CC(=O)[O-])cc1 ZINC000003267992 563943334 /nfs/dbraw/zinc/94/33/34/563943334.db2.gz CRXLLIBBAXYXBQ-UHFFFAOYSA-N -1 0 310.378 3.808 50 0 DHAARM CC(C)C[C@@H](C)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069118043 563951763 /nfs/dbraw/zinc/95/17/63/563951763.db2.gz XUCVUCASFWWXQU-SNVBAGLBSA-N -1 0 319.430 3.505 50 0 DHAARM C[C@@H](CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000000003715 568421483 /nfs/dbraw/zinc/42/14/83/568421483.db2.gz FIKVYIRIUOFLLR-JTQLQIEISA-N -1 0 304.292 3.925 50 0 investigational DHAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000322742436 970924305 /nfs/dbraw/zinc/92/43/05/970924305.db2.gz YZUKNLPYVPRBAJ-INIZCTEOSA-N -1 0 309.365 3.522 50 0 DHAARM Cc1onc(-c2cc(Br)ccc2Cl)c1C(=O)[O-] ZINC000235958609 1014016704 /nfs/dbraw/zinc/01/67/04/1014016704.db2.gz UVFLWPBJMGCBOR-UHFFFAOYSA-N -1 0 316.538 3.764 50 0 DHAARM COc1ccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc1O ZINC000035681481 1014848068 /nfs/dbraw/zinc/84/80/68/1014848068.db2.gz KOIVFCXONCQFNG-VURMDHGXSA-N -1 0 321.332 3.818 50 0 DHAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccsc3)cc2)co1 ZINC000076059522 1019920435 /nfs/dbraw/zinc/92/04/35/1019920435.db2.gz FRXRYEKHACKYSI-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM CC[C@@H](O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003149470 1020057948 /nfs/dbraw/zinc/05/79/48/1020057948.db2.gz JMDRSUYRUDUONP-GDBMZVCRSA-N -1 0 324.376 3.792 50 0 DHAARM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221915404 1026106845 /nfs/dbraw/zinc/10/68/45/1026106845.db2.gz YKGMDZKNLIYNCX-FWLQQBITSA-N -1 0 309.365 3.602 50 0 DHAARM COc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)ccc1O ZINC000103288983 1033602539 /nfs/dbraw/zinc/60/25/39/1033602539.db2.gz BXPFNLBNCJUOSE-VURMDHGXSA-N -1 0 321.332 3.818 50 0 DHAARM Cc1cnccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000079029283 185147645 /nfs/dbraw/zinc/14/76/45/185147645.db2.gz HVEHRUDLMBJCHR-UHFFFAOYSA-N -1 0 323.226 3.559 50 0 DHAARM O=C([O-])c1ccc2nc(/C=C/c3ccc(F)c(F)c3)oc2c1 ZINC000328598373 231237055 /nfs/dbraw/zinc/23/70/55/231237055.db2.gz MABPOLQHMRGDKC-QHHAFSJGSA-N -1 0 301.248 3.975 50 0 DHAARM CCc1sc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1C ZINC000096936589 185393111 /nfs/dbraw/zinc/39/31/11/185393111.db2.gz JUYCRHQTGLLQIR-TWGQIWQCSA-N -1 0 315.394 3.969 50 0 DHAARM CC(C)c1nc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])s2)cs1 ZINC000097017757 185397884 /nfs/dbraw/zinc/39/78/84/185397884.db2.gz RMXOZNFWZBINAE-MRVPVSSYSA-N -1 0 324.427 3.517 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000101369 180692597 /nfs/dbraw/zinc/69/25/97/180692597.db2.gz UPGCIGIEIDTQKD-UHFFFAOYSA-N -1 0 304.173 3.823 50 0 DHAARM CCc1ccccc1C(=O)N1CC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000072479350 191180376 /nfs/dbraw/zinc/18/03/76/191180376.db2.gz MHMGEICWINXCNJ-QGZVFWFLSA-N -1 0 323.392 3.577 50 0 DHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC000002749592 180952287 /nfs/dbraw/zinc/95/22/87/180952287.db2.gz JDZHFJHAOAJHIW-UHFFFAOYSA-N -1 0 318.423 3.714 50 0 DHAARM O=C([O-])c1ccc(Nc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000003296746 181001436 /nfs/dbraw/zinc/00/14/36/181001436.db2.gz CZUUOBCVHLDUOF-UHFFFAOYSA-N -1 0 320.308 3.660 50 0 DHAARM CCCS(=O)(=O)[N-]c1cc2oc3ccccc3c2cc1OC ZINC000003997448 181060853 /nfs/dbraw/zinc/06/08/53/181060853.db2.gz HSLCQZURTRLUFY-UHFFFAOYSA-N -1 0 319.382 3.746 50 0 DHAARM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000004653693 181132093 /nfs/dbraw/zinc/13/20/93/181132093.db2.gz UXXZYQYSBVFCEW-HNNXBMFYSA-N -1 0 317.772 3.594 50 0 DHAARM Cc1nc(-c2ccc(Br)cc2)c(CC(=O)[O-])s1 ZINC000004675453 181135432 /nfs/dbraw/zinc/13/54/32/181135432.db2.gz NLIIRGGILWHWOY-UHFFFAOYSA-N -1 0 312.188 3.508 50 0 DHAARM Cc1cc(C=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000005050430 181197101 /nfs/dbraw/zinc/19/71/01/181197101.db2.gz YJSXRWPPIARAEQ-UHFFFAOYSA-N -1 0 303.383 3.545 50 0 DHAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](/C=C/c2ccccc2)N1 ZINC000005515244 181252695 /nfs/dbraw/zinc/25/26/95/181252695.db2.gz NYBRWZYJSBALAQ-KNJKRIMISA-N -1 0 318.376 3.521 50 0 DHAARM CC(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000005833261 181287481 /nfs/dbraw/zinc/28/74/81/181287481.db2.gz KDGNUAXXLOXXLN-QGZVFWFLSA-N -1 0 311.381 3.583 50 0 DHAARM O=C([O-])c1cc(-c2cccs2)nn1-c1ccc(F)cc1F ZINC000005831689 181287529 /nfs/dbraw/zinc/28/75/29/181287529.db2.gz ULPHWQUOXQAERG-UHFFFAOYSA-N -1 0 306.293 3.577 50 0 DHAARM CCOc1ccccc1Oc1c(C)oc2cc([O-])ccc2c1=O ZINC000005907073 181295250 /nfs/dbraw/zinc/29/52/50/181295250.db2.gz GUZPIULGVYVDEE-UHFFFAOYSA-N -1 0 312.321 3.998 50 0 biogenic DHAARM C[C@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1F ZINC000237523257 202270251 /nfs/dbraw/zinc/27/02/51/202270251.db2.gz KQHGMJCTJRMUQB-KGLIPLIRSA-N -1 0 321.392 3.565 50 0 DHAARM Fc1cc(Br)c(Br)c([S-])c1F ZINC000263623223 203487259 /nfs/dbraw/zinc/48/72/59/203487259.db2.gz FRVAFWQNOLYSEI-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)[O-])cc1 ZINC000008939740 181592422 /nfs/dbraw/zinc/59/24/22/181592422.db2.gz XLUUZCZMTANOOE-UHFFFAOYSA-N -1 0 313.328 4.000 50 0 DHAARM CN(C(=O)c1ccc2ccccc2c1)c1ccccc1C(=O)[O-] ZINC000013441058 181850864 /nfs/dbraw/zinc/85/08/64/181850864.db2.gz DJRFZZSMLBNDSL-UHFFFAOYSA-N -1 0 305.333 3.815 50 0 DHAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016101609 182034382 /nfs/dbraw/zinc/03/43/82/182034382.db2.gz QRQKZBNVQVWJOK-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM O=C([O-])[C@H](CCc1ccc(Br)cc1)C(F)(F)F ZINC000016159515 182035637 /nfs/dbraw/zinc/03/56/37/182035637.db2.gz PCMHAMVZYDCSMG-VIFPVBQESA-N -1 0 311.097 3.645 50 0 DHAARM Cc1ccc(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000016777356 182059959 /nfs/dbraw/zinc/05/99/59/182059959.db2.gz LVSQLFFYDLDWBS-UHFFFAOYSA-N -1 0 306.369 3.528 50 0 DHAARM O=c1c(-c2nc(-c3ccccc3Cl)no2)c[n-]c2ccccc21 ZINC000020732806 182244892 /nfs/dbraw/zinc/24/48/92/182244892.db2.gz IWHKZJQFUHNIOW-UHFFFAOYSA-N -1 0 323.739 3.899 50 0 DHAARM O=C([O-])/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000022238484 182314563 /nfs/dbraw/zinc/31/45/63/182314563.db2.gz AYWXEYLKLHHKTH-FLIBITNWSA-N -1 0 308.312 3.776 50 0 DHAARM Cc1cccc(C)c1NC(=O)C[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000024837103 182392447 /nfs/dbraw/zinc/39/24/47/182392447.db2.gz ZVODVXPEDOPOOL-HNNXBMFYSA-N -1 0 315.344 3.640 50 0 DHAARM O=C(NCc1nc2ccccc2s1)c1ccc([O-])c(Cl)c1 ZINC000040457581 183069055 /nfs/dbraw/zinc/06/90/55/183069055.db2.gz VJBDTMAAZRJXDC-UHFFFAOYSA-N -1 0 318.785 3.585 50 0 DHAARM Cc1ccc2[n-]cc(-c3nc(-c4cccs4)no3)c(=O)c2c1 ZINC000057354808 184035486 /nfs/dbraw/zinc/03/54/86/184035486.db2.gz NBEOTFDGSXAMPJ-UHFFFAOYSA-N -1 0 309.350 3.615 50 0 DHAARM CC(C)(C)OC(=O)Nc1ccc(-c2cccnc2C(=O)[O-])cc1 ZINC000065349255 184326440 /nfs/dbraw/zinc/32/64/40/184326440.db2.gz PGGVCDIQGVFMLF-UHFFFAOYSA-N -1 0 314.341 3.794 50 0 DHAARM Cc1c2ccccc2oc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177484424 256589885 /nfs/dbraw/zinc/58/98/85/256589885.db2.gz PEGSKRHXHRXPSI-AWEZNQCLSA-N -1 0 321.332 3.570 50 0 DHAARM O=C(Nc1cccc(Cl)c1[O-])c1cccc([C@H]2CCOC2)c1 ZINC000408513719 257256218 /nfs/dbraw/zinc/25/62/18/257256218.db2.gz UZTNXWCAQSJIIL-ZDUSSCGKSA-N -1 0 317.772 3.802 50 0 DHAARM CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)[O-] ZINC000002386524 331469839 /nfs/dbraw/zinc/46/98/39/331469839.db2.gz CGTVYIKYCQGZEO-UHFFFAOYSA-N -1 0 321.251 3.630 50 0 DHAARM Cc1cc(NC(=O)c2ccc(Cl)s2)cc(C(=O)[O-])c1C ZINC000062348629 331607611 /nfs/dbraw/zinc/60/76/11/331607611.db2.gz AXIVSUJHMLEDAP-UHFFFAOYSA-N -1 0 309.774 3.969 50 0 DHAARM O=C([O-])c1ccnc(/C=C\c2ccc(Br)cc2)c1 ZINC000547763075 341230947 /nfs/dbraw/zinc/23/09/47/341230947.db2.gz VWSQTUNIKPIDLQ-UTCJRWHESA-N -1 0 304.143 3.713 50 0 DHAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000007409056 563906153 /nfs/dbraw/zinc/90/61/53/563906153.db2.gz ADAWXBZUJJSRLA-UHFFFAOYSA-N -1 0 301.820 3.819 50 0 DHAARM CCCCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000003080994 563336597 /nfs/dbraw/zinc/33/65/97/563336597.db2.gz JROUFPILMNEWBE-CVEARBPZSA-N -1 0 303.402 3.859 50 0 DHAARM Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000000033527 563211274 /nfs/dbraw/zinc/21/12/74/563211274.db2.gz HQWLEDGDJDEFKD-UHFFFAOYSA-N -1 0 315.369 3.765 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Cl)c1Cl ZINC000000101362 563217083 /nfs/dbraw/zinc/21/70/83/563217083.db2.gz DKPMGSKLGKVSBH-UHFFFAOYSA-N -1 0 304.173 3.823 50 0 DHAARM O=c1[nH]c2ccc(OC(F)(F)F)cc2c([O-])c1-c1ccccc1 ZINC000000173641 563227899 /nfs/dbraw/zinc/22/78/99/563227899.db2.gz ZDQQSUPCZSYFKN-UHFFFAOYSA-N -1 0 321.254 3.799 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000175055 563227939 /nfs/dbraw/zinc/22/79/39/563227939.db2.gz BWMSCBOAFRUBGF-UHFFFAOYSA-N -1 0 324.361 3.761 50 0 DHAARM CC(=O)Oc1ccc(-c2nc3ccc(C(=O)[O-])cc3s2)cc1 ZINC000000226033 563231588 /nfs/dbraw/zinc/23/15/88/563231588.db2.gz NUNPZIKBOGZEAL-UHFFFAOYSA-N -1 0 313.334 3.587 50 0 DHAARM O=C([N-]C(=O)c1ccccc1)Oc1c(Cl)cccc1Cl ZINC000000291448 563236601 /nfs/dbraw/zinc/23/66/01/563236601.db2.gz UVUYEXHXIKEELC-UHFFFAOYSA-N -1 0 310.136 3.922 50 0 DHAARM O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000000390777 563249319 /nfs/dbraw/zinc/24/93/19/563249319.db2.gz BXZSOXCWNPDJGO-UHFFFAOYSA-N -1 0 322.151 3.828 50 0 DHAARM COc1ccc(CO[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000000395720 563249883 /nfs/dbraw/zinc/24/98/83/563249883.db2.gz MHVSPIFKHORJKX-HNNXBMFYSA-N -1 0 306.745 3.691 50 0 DHAARM COc1ccc(-n2nc(-c3ccc(C)cc3)cc2C(=O)[O-])cc1 ZINC000000732381 563271891 /nfs/dbraw/zinc/27/18/91/563271891.db2.gz APXNIBIUDANBPF-UHFFFAOYSA-N -1 0 308.337 3.555 50 0 DHAARM Fc1ccc(NCc2n[n-]c(=S)n2-c2ccccc2)cc1 ZINC000001440156 563283581 /nfs/dbraw/zinc/28/35/81/563283581.db2.gz NLOQHONDBQURJZ-UHFFFAOYSA-N -1 0 300.362 3.681 50 0 DHAARM O=S(=O)([O-])c1cc(O)c2ccc(Nc3ccccc3)cc2c1 ZINC000001577005 563285710 /nfs/dbraw/zinc/28/57/10/563285710.db2.gz YGNDWDUEMICDLW-UHFFFAOYSA-N -1 0 315.350 3.536 50 0 DHAARM CCCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000002023205 563297597 /nfs/dbraw/zinc/29/75/97/563297597.db2.gz UXLJFZXXKFBVFT-UHFFFAOYSA-N -1 0 313.353 3.816 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000007402375 563338638 /nfs/dbraw/zinc/33/86/38/563338638.db2.gz HAWAFKSHVPIKKT-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c1=O ZINC000008739236 563350046 /nfs/dbraw/zinc/35/00/46/563350046.db2.gz HXUSWWAXCBJMRR-UHFFFAOYSA-N -1 0 301.777 3.522 50 0 DHAARM CC(=O)c1cnc([N-]c2nc(C)c3cc(C)cc(C)c3n2)nc1C ZINC000010157433 563355460 /nfs/dbraw/zinc/35/54/60/563355460.db2.gz KTYCKBHTOHVFIC-UHFFFAOYSA-N -1 0 321.384 3.600 50 0 DHAARM COc1cc(-c2cc(C)c3ccccc3n2)ccc1OCC(=O)[O-] ZINC000013317097 563380234 /nfs/dbraw/zinc/38/02/34/563380234.db2.gz TZRYJYVOOBWEHT-UHFFFAOYSA-N -1 0 323.348 3.682 50 0 DHAARM CCCc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000013249123 563380307 /nfs/dbraw/zinc/38/03/07/563380307.db2.gz GPJIJSPPZGTVIV-QGZVFWFLSA-N -1 0 311.381 3.836 50 0 DHAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(C2CCCCC2)CC1 ZINC000014632635 563402342 /nfs/dbraw/zinc/40/23/42/563402342.db2.gz JGHJZAWKPOYZNI-UHFFFAOYSA-N -1 0 311.422 3.669 50 0 in-vitro DHAARM Cc1nc(-c2ccc(C)cc2Br)sc1C(=O)[O-] ZINC000164129536 563420758 /nfs/dbraw/zinc/42/07/58/563420758.db2.gz JTTNATIZTMDYFT-UHFFFAOYSA-N -1 0 312.188 3.888 50 0 DHAARM Cc1cccc(-c2nccc(Oc3cccc(C(=O)[O-])c3)n2)c1 ZINC000032918495 563443810 /nfs/dbraw/zinc/44/38/10/563443810.db2.gz YCUTXJMVYHZMAW-UHFFFAOYSA-N -1 0 306.321 3.943 50 0 DHAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000070442361 563457391 /nfs/dbraw/zinc/45/73/91/563457391.db2.gz WAIKOFPGOOKHPG-QMMMGPOBSA-N -1 0 319.411 3.933 50 0 DHAARM O=C([O-])c1ccccc1-c1nccn1CCc1cccc(F)c1 ZINC000067673806 563488441 /nfs/dbraw/zinc/48/84/41/563488441.db2.gz VVLPOTYBDJPFTR-UHFFFAOYSA-N -1 0 310.328 3.630 50 0 DHAARM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)o1 ZINC000000090058 563511256 /nfs/dbraw/zinc/51/12/56/563511256.db2.gz MINMSVKRWFZVNI-QMMMGPOBSA-N -1 0 319.382 3.725 50 0 DHAARM [O-]c1ccc(Cl)c(CN2CCCC[C@H]2CCCO)c1Cl ZINC000097137659 563537603 /nfs/dbraw/zinc/53/76/03/563537603.db2.gz OFNDRCUIRZISRK-NSHDSACASA-N -1 0 318.244 3.826 50 0 DHAARM COc1ccccc1-c1cc(=O)n(-c2nc3ccccc3s2)[n-]1 ZINC000100134580 563546559 /nfs/dbraw/zinc/54/65/59/563546559.db2.gz HDWXXVAVOSCSMA-UHFFFAOYSA-N -1 0 323.377 3.863 50 0 DHAARM Cc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000000117219 563571006 /nfs/dbraw/zinc/57/10/06/563571006.db2.gz VBXADSYAHBDMSY-OAHLLOKOSA-N -1 0 317.772 3.594 50 0 DHAARM Cc1nc(Nc2ccc(O)c(C(=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000011907814 563601236 /nfs/dbraw/zinc/60/12/36/563601236.db2.gz YXNWPXCFUDPOME-UHFFFAOYSA-N -1 0 321.336 3.599 50 0 DHAARM CCc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000005575947 563623714 /nfs/dbraw/zinc/62/37/14/563623714.db2.gz AUACNWVJARNGKD-UHFFFAOYSA-N -1 0 307.275 3.683 50 0 DHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000008215019 563641635 /nfs/dbraw/zinc/64/16/35/563641635.db2.gz SYHKXLCBFXXVMR-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM CC(C)(C)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000013012669 563654895 /nfs/dbraw/zinc/65/48/95/563654895.db2.gz GJWVNCAEGZOABK-QWHCGFSZSA-N -1 0 301.386 3.590 50 0 DHAARM CCCn1c(COc2ccc(C(=O)[O-])cc2)nc2ccccc21 ZINC000000811124 563719326 /nfs/dbraw/zinc/71/93/26/563719326.db2.gz PSGMVGSXXBIFRZ-UHFFFAOYSA-N -1 0 310.353 3.724 50 0 DHAARM Cc1ccc(-c2nc3c(Cl)cc(Cl)cc3c(=O)n2[O-])cc1 ZINC000001382191 563813607 /nfs/dbraw/zinc/81/36/07/563813607.db2.gz SBQRAGGWXVKOGX-UHFFFAOYSA-N -1 0 321.163 3.916 50 0 DHAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1Cc1ccccc1 ZINC000100927688 563821643 /nfs/dbraw/zinc/82/16/43/563821643.db2.gz RKNJRYMLSYCRGO-UHFFFAOYSA-N -1 0 308.362 3.854 50 0 DHAARM O=C([O-])[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000001843158 563882108 /nfs/dbraw/zinc/88/21/08/563882108.db2.gz ILNJEWHIQWUICA-IBGZPJMESA-N -1 0 318.372 3.791 50 0 DHAARM Cc1onc(-c2ccc(Cl)cc2Br)c1C(=O)[O-] ZINC000126774216 563912651 /nfs/dbraw/zinc/91/26/51/563912651.db2.gz OGYIDEVNIGDLDW-UHFFFAOYSA-N -1 0 316.538 3.764 50 0 DHAARM CCCC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1OC ZINC000002213933 563919094 /nfs/dbraw/zinc/91/90/94/563919094.db2.gz MEVOPXDUXCKJAO-OLZOCXBDSA-N -1 0 307.390 3.551 50 0 DHAARM O=C1N2c3c(cccc3Sc3ccccc32)[C@@]1(O)C(F)(F)F ZINC000002349751 563926349 /nfs/dbraw/zinc/92/63/49/563926349.db2.gz VXAPLOXEECSETK-AWEZNQCLSA-N -1 0 323.295 3.579 50 0 DHAARM O=C([O-])CCc1ccc(NC(=O)c2ccc3ncccc3c2)cc1 ZINC000095972529 563933717 /nfs/dbraw/zinc/93/37/17/563933717.db2.gz HGZALRIPGLXNOI-UHFFFAOYSA-N -1 0 320.348 3.504 50 0 DHAARM Cc1nc2cc(NC(=O)c3ccccc3C(=O)[O-])ccc2s1 ZINC000003152627 563942426 /nfs/dbraw/zinc/94/24/26/563942426.db2.gz VOODFKZOLGKOHB-UHFFFAOYSA-N -1 0 312.350 3.555 50 0 DHAARM Cc1cc(C)cc(C2(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)c1 ZINC000263191218 602072490 /nfs/dbraw/zinc/07/24/90/602072490.db2.gz YKAYUOOLNVDZHE-UHFFFAOYSA-N -1 0 323.392 3.601 50 0 DHAARM CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000007885545 1022945270 /nfs/dbraw/zinc/94/52/70/1022945270.db2.gz RVNULUDMUBBQFC-YVEFUNNKSA-N -1 0 324.380 3.750 50 0 DHAARM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(F)cc2)c1[O-] ZINC000254305821 1023950106 /nfs/dbraw/zinc/95/01/06/1023950106.db2.gz QVVPNSJJIOKTOW-UHFFFAOYSA-N -1 0 309.684 3.539 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000005948047 1024502313 /nfs/dbraw/zinc/50/23/13/1024502313.db2.gz UUULSUUNXGCFDC-MSOLQXFVSA-N -1 0 321.376 3.959 50 0 DHAARM Cc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)sc1C ZINC000630327823 1031992143 /nfs/dbraw/zinc/99/21/43/1031992143.db2.gz WVFDWEFANPKAKO-UONOGXRCSA-N -1 0 315.394 3.805 50 0 DHAARM O=c1nc(CSC/C=C\c2ccccc2)[n-]c2ccsc21 ZINC000096715686 185385933 /nfs/dbraw/zinc/38/59/33/185385933.db2.gz IICSTVVIMISDII-DAXSKMNVSA-N -1 0 314.435 3.931 50 0 DHAARM O=C([O-])c1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc32)o1 ZINC000072143442 191049794 /nfs/dbraw/zinc/04/97/94/191049794.db2.gz PRWQGUOALQOLDX-UHFFFAOYSA-N -1 0 311.341 3.876 50 0 DHAARM C[C@@H](Sc1nc2ccccc2n1Cc1ccccc1)C(=O)[O-] ZINC000000084760 180687452 /nfs/dbraw/zinc/68/74/52/180687452.db2.gz YEYSKECLEWIAQW-GFCCVEGCSA-N -1 0 312.394 3.650 50 0 DHAARM COc1ccc(Nc2cc(C)nc(-c3ccccc3[O-])n2)cc1 ZINC000000119378 180698620 /nfs/dbraw/zinc/69/86/20/180698620.db2.gz SOOYGPRHMUTZTE-UHFFFAOYSA-N -1 0 307.353 3.910 50 0 DHAARM Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000000191615 180720525 /nfs/dbraw/zinc/72/05/25/180720525.db2.gz QMARCNKWRJFPOJ-UHFFFAOYSA-N -1 0 315.394 3.886 50 0 DHAARM CCc1cc(C(=O)[O-])c(NC(=O)c2ccccc2Cl)s1 ZINC000000445831 180793721 /nfs/dbraw/zinc/79/37/21/180793721.db2.gz JCTYMHNIHSZMGV-UHFFFAOYSA-N -1 0 309.774 3.914 50 0 DHAARM O=C([O-])c1ccc(Cn2nc(C(F)F)cc2C(F)F)cc1 ZINC000002549570 180934684 /nfs/dbraw/zinc/93/46/84/180934684.db2.gz DGHPTFYMFHGEAJ-UHFFFAOYSA-N -1 0 302.227 3.505 50 0 DHAARM O=C([O-])c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000003196897 180991085 /nfs/dbraw/zinc/99/10/85/180991085.db2.gz UABXYLZCYFPJFH-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM O=C([O-])c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000003983226 181059828 /nfs/dbraw/zinc/05/98/28/181059828.db2.gz MRZIHKOQUOWOIF-UHFFFAOYSA-N -1 0 301.367 3.577 50 0 DHAARM O=C([O-])c1ccc(OCCCCCCO[C@H]2CCCCO2)cc1 ZINC000004060450 181068073 /nfs/dbraw/zinc/06/80/73/181068073.db2.gz BNTAHXSRBNHLSL-QGZVFWFLSA-N -1 0 322.401 3.867 50 0 DHAARM Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000004165447 181081006 /nfs/dbraw/zinc/08/10/06/181081006.db2.gz ZOUZSYLRQPADOJ-UHFFFAOYSA-N -1 0 319.320 3.687 50 0 DHAARM Cc1ccc(C)c(NC(=O)[C@@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC000004425741 181109439 /nfs/dbraw/zinc/10/94/39/181109439.db2.gz LJSSAUPUMWBCOY-MRXNPFEDSA-N -1 0 311.381 3.576 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004689776 181136930 /nfs/dbraw/zinc/13/69/30/181136930.db2.gz HFYTZMDMZSJWAF-UHFFFAOYSA-N -1 0 303.280 3.535 50 0 DHAARM Cc1cccc(Cl)c1NC(=O)Nc1ccccc1C(=O)[O-] ZINC000004776624 181151095 /nfs/dbraw/zinc/15/10/95/181151095.db2.gz BDUVDXWLYOVRTH-UHFFFAOYSA-N -1 0 304.733 3.991 50 0 DHAARM Cc1c(F)c(F)c(-n2[n-]c(C(C)(C)C)cc2=O)c(F)c1F ZINC000005212021 181217989 /nfs/dbraw/zinc/21/79/89/181217989.db2.gz ZYDVKZDJSCHBLG-UHFFFAOYSA-N -1 0 302.271 3.690 50 0 DHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1n[n-]c(=S)o1 ZINC000005685917 181271982 /nfs/dbraw/zinc/27/19/82/181271982.db2.gz YGEHNQHQOLZSLV-NSHDSACASA-N -1 0 321.402 3.541 50 0 DHAARM Cn1c(=O)c2c3c(sc2[n-]c1=S)C[C@H](C(C)(C)C)CC3 ZINC000005687090 181272265 /nfs/dbraw/zinc/27/22/65/181272265.db2.gz ANKXEPGUWATASL-MRVPVSSYSA-N -1 0 308.472 3.809 50 0 DHAARM CCCc1cc2c(cc1[O-])occ(-c1csc(C)n1)c2=O ZINC000005904274 181295319 /nfs/dbraw/zinc/29/53/19/181295319.db2.gz GKYKQIDUQINTRT-UHFFFAOYSA-N -1 0 301.367 3.883 50 0 biogenic DHAARM C[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000237415830 202259318 /nfs/dbraw/zinc/25/93/18/202259318.db2.gz ROXAVJWUOXIYAS-AUUYWEPGSA-N -1 0 323.392 3.537 50 0 DHAARM COc1ccc2nc3c(c(SCCC(=O)[O-])c2c1)CCCC3 ZINC000238924233 202451989 /nfs/dbraw/zinc/45/19/89/202451989.db2.gz RFLGXMSEXVUKFL-UHFFFAOYSA-N -1 0 317.410 3.689 50 0 DHAARM CCCCC(=O)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000005977991 181303045 /nfs/dbraw/zinc/30/30/45/181303045.db2.gz VOOSVWAUGHSLHI-UHFFFAOYSA-N -1 0 321.229 3.702 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000006502369 181346710 /nfs/dbraw/zinc/34/67/10/181346710.db2.gz NOQUIGLWDHSSRW-UHFFFAOYSA-N -1 0 301.820 3.819 50 0 DHAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000006528667 181350409 /nfs/dbraw/zinc/35/04/09/181350409.db2.gz OCZDVNITZSLFFP-UHFFFAOYSA-N -1 0 319.279 3.645 50 0 DHAARM Cc1cc(C(=O)[O-])c(NC(=S)Nc2cccc(F)c2)s1 ZINC000006825622 181395378 /nfs/dbraw/zinc/39/53/78/181395378.db2.gz GGQJZLDFUAIVPZ-UHFFFAOYSA-N -1 0 310.375 3.703 50 0 DHAARM Cc1ccccc1-c1cccc(-c2cn([C@H](C)C(=O)[O-])nn2)c1 ZINC000091677846 193090225 /nfs/dbraw/zinc/09/02/25/193090225.db2.gz BAFQBNKDHMSZSI-CYBMUJFWSA-N -1 0 307.353 3.566 50 0 DHAARM O=C([O-])c1ccc(Cl)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000013167646 181835164 /nfs/dbraw/zinc/83/51/64/181835164.db2.gz IAJDCGYWHHRRBE-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM CC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000013253206 181839766 /nfs/dbraw/zinc/83/97/66/181839766.db2.gz CMXLVJAMWPMMFG-UHFFFAOYSA-N -1 0 317.385 3.643 50 0 DHAARM O=C(c1cnc2c(c1)COc1ccccc1-2)c1ccccc1[O-] ZINC000013828369 181904523 /nfs/dbraw/zinc/90/45/23/181904523.db2.gz RSTIXHIVACFCEQ-UHFFFAOYSA-N -1 0 303.317 3.578 50 0 DHAARM Cc1ccccc1CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000015987689 182027832 /nfs/dbraw/zinc/02/78/32/182027832.db2.gz NTPVWCMNPJQSSK-UHFFFAOYSA-N -1 0 309.394 3.845 50 0 DHAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016129176 182035096 /nfs/dbraw/zinc/03/50/96/182035096.db2.gz QNLIUXSXKFRTOV-UHFFFAOYSA-N -1 0 311.353 3.889 50 0 DHAARM CC(C)(C)c1nnc(Nc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000016776955 182060303 /nfs/dbraw/zinc/06/03/03/182060303.db2.gz ZPZZUHHTZCIXLJ-UHFFFAOYSA-N -1 0 313.188 3.513 50 0 DHAARM Cc1ccc(SCc2cc(=O)n(-c3ccc(F)cc3)[n-]2)cc1 ZINC000017879210 182087170 /nfs/dbraw/zinc/08/71/70/182087170.db2.gz KNKUDKXUPZIZOX-UHFFFAOYSA-N -1 0 314.385 3.905 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc2c(c1)CCC2 ZINC000020395692 182214314 /nfs/dbraw/zinc/21/43/14/182214314.db2.gz ZYXWRTPWRRULDB-UHFFFAOYSA-N -1 0 310.353 3.826 50 0 DHAARM O=C([O-])c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020457530 182220130 /nfs/dbraw/zinc/22/01/30/182220130.db2.gz QLWKKLCXLOZKLY-UHFFFAOYSA-N -1 0 308.696 3.821 50 0 DHAARM O=C([O-])CC1(CN2CC3(CC2=O)CCCCC3)CCCCC1 ZINC000022059760 182306842 /nfs/dbraw/zinc/30/68/42/182306842.db2.gz WJUZRUVUDOFJAK-UHFFFAOYSA-N -1 0 307.434 3.594 50 0 in-vitro DHAARM O=C([O-])c1ccc(-c2cnc(Oc3ccc(F)cc3)nc2)cc1 ZINC000032918492 182680064 /nfs/dbraw/zinc/68/00/64/182680064.db2.gz WWZKZGQFYDLDPF-UHFFFAOYSA-N -1 0 310.284 3.773 50 0 DHAARM O=C([O-])c1cc(C2CC2)n2nc(-c3cccc(Cl)c3)cc2n1 ZINC000041566705 183203538 /nfs/dbraw/zinc/20/35/38/183203538.db2.gz WDOLNYBYHMOBCG-UHFFFAOYSA-N -1 0 313.744 3.625 50 0 DHAARM O=C([O-])c1cc(C2CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000041566707 183203891 /nfs/dbraw/zinc/20/38/91/183203891.db2.gz HLEXFVYUERNTND-UHFFFAOYSA-N -1 0 313.744 3.625 50 0 DHAARM O=C([O-])C1(Nc2cccc(OC(F)(F)F)c2)CCCCC1 ZINC000041758472 183219368 /nfs/dbraw/zinc/21/93/68/183219368.db2.gz QYTRYVMMDJCQFW-UHFFFAOYSA-N -1 0 303.280 3.785 50 0 DHAARM Cc1c(-c2nc3ccccc3n2C)c2ccccc2n1CC(=O)[O-] ZINC000063856812 184289741 /nfs/dbraw/zinc/28/97/41/184289741.db2.gz LZSBRZRFXPRKMY-UHFFFAOYSA-N -1 0 319.364 3.588 50 0 DHAARM CC1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1 ZINC000064588979 134815427 /nfs/dbraw/zinc/81/54/27/134815427.db2.gz RCJZFFJCGKBJSQ-UHFFFAOYSA-N -1 0 318.417 3.606 50 0 DHAARM C[C@@H](Oc1ccccc1-c1ccc(F)c2cccnc21)C(=O)[O-] ZINC000534578315 334288340 /nfs/dbraw/zinc/28/83/40/334288340.db2.gz KIPBVNCABQWNPN-LLVKDONJSA-N -1 0 311.312 3.893 50 0 DHAARM CCC(CC)n1nc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1C ZINC000191351119 337677762 /nfs/dbraw/zinc/67/77/62/337677762.db2.gz ASZCGHHOWRCKTA-UHFFFAOYSA-N -1 0 321.402 3.565 50 0 DHAARM CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000263133498 520097618 /nfs/dbraw/zinc/09/76/18/520097618.db2.gz XXSRDOYGZHZNOL-GFCCVEGCSA-N -1 0 317.410 3.540 50 0 DHAARM CCC(CC)C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000221032603 563582788 /nfs/dbraw/zinc/58/27/88/563582788.db2.gz KSTJLTJITQNUBD-ZIAGYGMSSA-N -1 0 313.438 3.913 50 0 DHAARM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000000123200 563220404 /nfs/dbraw/zinc/22/04/04/563220404.db2.gz PEFNYDADEQZYQG-UHFFFAOYSA-N -1 0 324.814 3.751 50 0 DHAARM Cc1ccc(C(=O)c2c([O-])cc(-c3ccc(C)cc3)oc2=O)cc1 ZINC000000034770 563211282 /nfs/dbraw/zinc/21/12/82/563211282.db2.gz NWDZUPUNCJTZMR-UHFFFAOYSA-N -1 0 320.344 3.860 50 0 DHAARM O=C([O-])c1ccc(N2COc3ccc4ccccc4c3C2)cc1 ZINC000000064816 563212597 /nfs/dbraw/zinc/21/25/97/563212597.db2.gz VBDSLVJSSIEFGN-UHFFFAOYSA-N -1 0 305.333 3.895 50 0 DHAARM O=C([O-])CSc1ncnc2scc(-c3ccccc3)c21 ZINC000000131642 563221534 /nfs/dbraw/zinc/22/15/34/563221534.db2.gz NHKGPOMUILRMLW-UHFFFAOYSA-N -1 0 302.380 3.535 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)Cc1cccc2ccccc21 ZINC000000264412 563234600 /nfs/dbraw/zinc/23/46/00/563234600.db2.gz DTDMYFUZEMKFOK-UHFFFAOYSA-N -1 0 305.333 3.719 50 0 DHAARM O=C([O-])c1ccc(NCc2ccc(Br)cc2)cc1 ZINC000000359861 563244236 /nfs/dbraw/zinc/24/42/36/563244236.db2.gz SUSBVHOZFNUIIL-UHFFFAOYSA-N -1 0 306.159 3.759 50 0 DHAARM CC1=C(C)C[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000000372521 563246476 /nfs/dbraw/zinc/24/64/76/563246476.db2.gz KOTAEYIGZGZJQW-ZIAGYGMSSA-N -1 0 307.777 3.726 50 0 DHAARM COc1ccc(CO[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000000395721 563250072 /nfs/dbraw/zinc/25/00/72/563250072.db2.gz MHVSPIFKHORJKX-OAHLLOKOSA-N -1 0 306.745 3.691 50 0 DHAARM O=S(=O)([N-]c1ccccc1)c1cc(Cl)ccc1Cl ZINC000002573592 563309906 /nfs/dbraw/zinc/30/99/06/563309906.db2.gz KDUYGJHHMRQKIV-UHFFFAOYSA-N -1 0 302.182 3.794 50 0 DHAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C(=O)[O-] ZINC000002650133 563311094 /nfs/dbraw/zinc/31/10/94/563311094.db2.gz WAXFXNZSSJFCGG-UHFFFAOYSA-N -1 0 319.575 3.898 50 0 DHAARM O=C([O-])c1cc(-c2ccco2)nc2cccc(Br)c21 ZINC000006884023 563334383 /nfs/dbraw/zinc/33/43/83/563334383.db2.gz CSDWEAOVRXHPKR-UHFFFAOYSA-N -1 0 318.126 3.956 50 0 DHAARM CCCCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000003080991 563336534 /nfs/dbraw/zinc/33/65/34/563336534.db2.gz JROUFPILMNEWBE-JKSUJKDBSA-N -1 0 303.402 3.859 50 0 DHAARM COc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000007603902 563340209 /nfs/dbraw/zinc/34/02/09/563340209.db2.gz JIMAXPHQGJEZEG-UHFFFAOYSA-N -1 0 310.708 3.765 50 0 DHAARM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CC=C(Cl)Cl ZINC000008659867 563348746 /nfs/dbraw/zinc/34/87/46/563348746.db2.gz POGVTVJFBCRNGY-UHFFFAOYSA-N -1 0 312.152 3.809 50 0 DHAARM Cc1cc(C)c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000008744767 563349984 /nfs/dbraw/zinc/34/99/84/563349984.db2.gz QCRKPSUNOBBBSY-MRXNPFEDSA-N -1 0 311.381 3.809 50 0 DHAARM O=C([O-])[C@@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000011961763 563361211 /nfs/dbraw/zinc/36/12/11/563361211.db2.gz GKPPWTYIGIOWRT-ZDUSSCGKSA-N -1 0 307.143 3.654 50 0 DHAARM COc1cc(C(=O)[O-])ccc1OCc1ccc(F)cc1Cl ZINC000013419839 563381207 /nfs/dbraw/zinc/38/12/07/563381207.db2.gz RONHDCGYFVAOMQ-UHFFFAOYSA-N -1 0 310.708 3.765 50 0 DHAARM COc1cc2c(cc1NC(=O)c1ccno1)oc1ccccc12 ZINC000014129328 563396003 /nfs/dbraw/zinc/39/60/03/563396003.db2.gz RAKKPEBGEUIAMK-UHFFFAOYSA-N -1 0 308.293 3.835 50 0 DHAARM COc1ccc(Oc2ccc(-c3cccc(C(=O)[O-])c3)nn2)cc1 ZINC000032918458 563443052 /nfs/dbraw/zinc/44/30/52/563443052.db2.gz IEPNPDNMSUMQRC-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000000031897 563505538 /nfs/dbraw/zinc/50/55/38/563505538.db2.gz UAJHBFHNGNEZJR-BLLLJJGKSA-N -1 0 315.344 3.659 50 0 DHAARM O=Cc1c2ccccc2n(Cc2ccccc2Cl)c1C(=O)[O-] ZINC000000254440 563582381 /nfs/dbraw/zinc/58/23/81/563582381.db2.gz VWSSAQDJEZVXTJ-UHFFFAOYSA-N -1 0 313.740 3.854 50 0 DHAARM Cc1nc2c(c(-c3ccccc3)c1C(=O)[O-])C(=O)CC(C)(C)C2 ZINC000000269424 563583731 /nfs/dbraw/zinc/58/37/31/563583731.db2.gz JZLMPSDKOSFIQZ-UHFFFAOYSA-N -1 0 309.365 3.910 50 0 biogenic DHAARM O=C([O-])c1ccccc1C(=O)O[C@@H](c1ccccc1)C(F)(F)F ZINC000002046415 563606065 /nfs/dbraw/zinc/60/60/65/563606065.db2.gz SQHLLFOWMYBRLG-ZDUSSCGKSA-N -1 0 324.254 3.845 50 0 DHAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1Cc1cccs1 ZINC000000425260 563612648 /nfs/dbraw/zinc/61/26/48/563612648.db2.gz TUMKOONWVHHBKH-UHFFFAOYSA-N -1 0 308.815 3.822 50 0 DHAARM COc1ccc(-c2cc(=O)oc3cc([O-])c(Cl)cc32)cc1 ZINC000000451565 563615800 /nfs/dbraw/zinc/61/58/00/563615800.db2.gz UQEXYUTXLTZVIN-UHFFFAOYSA-N -1 0 302.713 3.828 50 0 biogenic DHAARM Cc1nc(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cs1 ZINC000081020894 563626250 /nfs/dbraw/zinc/62/62/50/563626250.db2.gz SPQYXKLNJOEIHA-UHFFFAOYSA-N -1 0 319.411 3.528 50 0 DHAARM O=C([O-])c1ccc(CSc2nnc(-c3cccs3)o2)cc1 ZINC000000421726 563630437 /nfs/dbraw/zinc/63/04/37/563630437.db2.gz NZCRPEGJAIGADB-UHFFFAOYSA-N -1 0 318.379 3.789 50 0 DHAARM CC(C)c1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000013079765 563655326 /nfs/dbraw/zinc/65/53/26/563655326.db2.gz CBKTWAKWOPEVIC-UHFFFAOYSA-N -1 0 313.353 3.526 50 0 DHAARM O=C([O-])C1(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000013250083 563657933 /nfs/dbraw/zinc/65/79/33/563657933.db2.gz MUZFBGUMZZOROH-UHFFFAOYSA-N -1 0 316.184 3.967 50 0 DHAARM CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c1=O ZINC000102802651 563663197 /nfs/dbraw/zinc/66/31/97/563663197.db2.gz NFFJWMLAHBBYRV-UHFFFAOYSA-N -1 0 301.777 3.935 50 0 DHAARM Cc1nc(S[C@@H](C(=O)[O-])c2ccccc2)nc2c1CCCC2 ZINC000012176546 563681174 /nfs/dbraw/zinc/68/11/74/563681174.db2.gz ZQGAYKIFZLSFHC-OAHLLOKOSA-N -1 0 314.410 3.582 50 0 DHAARM CC(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1C(=O)[O-] ZINC000045967556 563690897 /nfs/dbraw/zinc/69/08/97/563690897.db2.gz QHWPCGAQHCCKDM-UHFFFAOYSA-N -1 0 318.417 3.750 50 0 DHAARM O=S(=O)([N-]c1cncc(Cl)c1)c1ccc2ccccc2c1 ZINC000027934009 563703255 /nfs/dbraw/zinc/70/32/55/563703255.db2.gz WBBOKVFTPGJSBQ-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM COc1ccc(C(=S)/C=C2\SC=C(C(=O)[O-])S2)cc1 ZINC000000382859 563704316 /nfs/dbraw/zinc/70/43/16/563704316.db2.gz KAWADYVCZDRWCY-WUXMJOGZSA-N -1 0 310.421 3.661 50 0 DHAARM Cc1ccc(C(=O)CSc2nc(C)ccc2C(=O)[O-])c(C)c1 ZINC000001238805 563809136 /nfs/dbraw/zinc/80/91/36/563809136.db2.gz XCUHBPRRZBXHEJ-UHFFFAOYSA-N -1 0 315.394 3.680 50 0 DHAARM COc1cccc2c(Nc3ccccc3C(=O)[O-])cc(C)nc12 ZINC000001279586 563810407 /nfs/dbraw/zinc/81/04/07/563810407.db2.gz QNFPPJUWSSDZIO-UHFFFAOYSA-N -1 0 308.337 3.994 50 0 DHAARM O=C(c1ccc(O)cc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000084600407 563828277 /nfs/dbraw/zinc/82/82/77/563828277.db2.gz LTAPTBRZHCPRHU-UHFFFAOYSA-N -1 0 322.364 3.633 50 0 DHAARM Cc1ccc(O)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000012915070 563853976 /nfs/dbraw/zinc/85/39/76/563853976.db2.gz FCDCMCCYHIOZJC-UHFFFAOYSA-N -1 0 307.752 3.765 50 0 DHAARM CN(Cc1cccc(F)c1)C(=O)c1ccc2ccccc2c1O ZINC000012918025 563854024 /nfs/dbraw/zinc/85/40/24/563854024.db2.gz SKSLONBIBTWRAA-UHFFFAOYSA-N -1 0 309.340 3.957 50 0 DHAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(C)CC1 ZINC000064820777 563894477 /nfs/dbraw/zinc/89/44/77/563894477.db2.gz RXIAZQUHURJEGA-UHFFFAOYSA-N -1 0 318.417 3.750 50 0 DHAARM CC(C)c1onc(-c2cc(Br)cs2)c1C(=O)[O-] ZINC000675058262 563910335 /nfs/dbraw/zinc/91/03/35/563910335.db2.gz ZFTATLXGDDYJJJ-UHFFFAOYSA-N -1 0 316.176 3.987 50 0 DHAARM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccs1 ZINC000089887742 563911924 /nfs/dbraw/zinc/91/19/24/563911924.db2.gz LWRILKHOGVOWME-UHFFFAOYSA-N -1 0 314.407 3.508 50 0 DHAARM Cc1cc(C(C)(C)C)oc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000269395 563912843 /nfs/dbraw/zinc/91/28/43/563912843.db2.gz RAEJLNDMFABYAJ-UHFFFAOYSA-N -1 0 301.342 3.836 50 0 DHAARM O=c1c2ccccc2[n-]c(=S)n1CCc1ccccc1Cl ZINC000000314118 563912906 /nfs/dbraw/zinc/91/29/06/563912906.db2.gz FVNRTHLUXLDDST-UHFFFAOYSA-N -1 0 316.813 3.955 50 0 DHAARM O=C([O-])CCc1nc2ccccc2nc1Sc1ccccc1 ZINC000096124726 563935626 /nfs/dbraw/zinc/93/56/26/563935626.db2.gz NKDPRFGARPEMMN-UHFFFAOYSA-N -1 0 310.378 3.798 50 0 DHAARM O=C([O-])c1cnc(/C=C\c2csc(-c3ccccn3)n2)s1 ZINC000096401008 563936662 /nfs/dbraw/zinc/93/66/62/563936662.db2.gz MLVMJAJOLQDUFU-PLNGDYQASA-N -1 0 315.379 3.530 50 0 DHAARM O=S(=O)([N-]c1cccc2ccccc21)c1ccccc1F ZINC000002628932 563939771 /nfs/dbraw/zinc/93/97/71/563939771.db2.gz PJCGKQQMYPBNQX-UHFFFAOYSA-N -1 0 301.342 3.780 50 0 DHAARM O=C([O-])C1(CC(=O)Nc2cccc(Cl)c2Cl)CCCC1 ZINC000008983931 563951754 /nfs/dbraw/zinc/95/17/54/563951754.db2.gz BTZKDKBFXDWFCP-UHFFFAOYSA-N -1 0 316.184 3.967 50 0 DHAARM Fc1cccc2c1CC[C@@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000504057147 563961645 /nfs/dbraw/zinc/96/16/45/563961645.db2.gz UOTHLENSMZSAGX-HNNXBMFYSA-N -1 0 311.385 3.866 50 0 DHAARM CC(C)C[C@@H](NC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC000236598342 568413930 /nfs/dbraw/zinc/41/39/30/568413930.db2.gz QZCJJMDGHBMTPZ-CQSZACIVSA-N -1 0 317.410 3.644 50 0 DHAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000262351943 961664708 /nfs/dbraw/zinc/66/47/08/961664708.db2.gz VJHJDUSYSIKYIY-VXGBXAGGSA-N -1 0 315.291 3.692 50 0 DHAARM O=C([O-])/C(=C\c1ccccc1)NC(=O)c1cccc2ccccc21 ZINC000004918094 1024051915 /nfs/dbraw/zinc/05/19/15/1024051915.db2.gz JPXLRHUHJNTQRJ-QGOAFFKASA-N -1 0 317.344 3.695 50 0 DHAARM COc1ccc(-c2ccc3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1 ZINC000005817928 1026414240 /nfs/dbraw/zinc/41/42/40/1026414240.db2.gz BDURFCILXFCAKG-UHFFFAOYSA-N -1 0 324.361 3.519 50 0 DHAARM C[C@@](CC(=O)[O-])(NC(=O)OCc1ccccc1)C1CCCCC1 ZINC000686791275 1028885575 /nfs/dbraw/zinc/88/55/75/1028885575.db2.gz XNCFZOXCSKLQKZ-SFHVURJKSA-N -1 0 319.401 3.727 50 0 DHAARM O=C([O-])c1cc(/C=C\c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000034701780 1031218480 /nfs/dbraw/zinc/21/84/80/1031218480.db2.gz NDZDROAMZLBUJM-ALCCZGGFSA-N -1 0 319.316 3.832 50 0 DHAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000630328641 1031992812 /nfs/dbraw/zinc/99/28/12/1031992812.db2.gz QSQMJZGKPAKXIA-ZWKOTPCHSA-N -1 0 321.376 3.616 50 0 DHAARM CC(C)(C)c1ncc(C(=O)Nc2nnc(C(C)(C)C)s2)s1 ZINC000067495633 1036962767 /nfs/dbraw/zinc/96/27/67/1036962767.db2.gz GNDDEYLOTWHWDD-UHFFFAOYSA-N -1 0 324.475 3.842 50 0 DHAARM CCCc1onc(-c2sccc2Br)c1C(=O)[O-] ZINC000675057539 1038809212 /nfs/dbraw/zinc/80/92/12/1038809212.db2.gz IJFCDKMBQCBQEL-UHFFFAOYSA-N -1 0 316.176 3.816 50 0 DHAARM O=C([O-])c1ccc(Nc2nccc(Nc3ccccc3)n2)cc1 ZINC000087613207 185229297 /nfs/dbraw/zinc/22/92/97/185229297.db2.gz BUKMSYYNNHEANR-UHFFFAOYSA-N -1 0 306.325 3.662 50 0 in-vitro DHAARM Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000097045098 185402352 /nfs/dbraw/zinc/40/23/52/185402352.db2.gz BITDMACSFFRSLV-CVEARBPZSA-N -1 0 317.429 3.592 50 0 DHAARM O=C([O-])c1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc32)nc1 ZINC000072150570 191055694 /nfs/dbraw/zinc/05/56/94/191055694.db2.gz STVRZAMPKVTMKD-UHFFFAOYSA-N -1 0 322.368 3.678 50 0 DHAARM O=C([O-])c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 ZINC000002574781 180936562 /nfs/dbraw/zinc/93/65/62/180936562.db2.gz BEBKZRVTISOKIU-UHFFFAOYSA-N -1 0 319.357 3.717 50 0 DHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)c(C)c1 ZINC000003997646 181060596 /nfs/dbraw/zinc/06/05/96/181060596.db2.gz NLBNTTRVRQBDKL-UHFFFAOYSA-N -1 0 308.403 3.524 50 0 DHAARM CCn1c(=O)c2c(-c3ccc(OC)cc3)csc2[n-]c1=S ZINC000004095359 181072584 /nfs/dbraw/zinc/07/25/84/181072584.db2.gz ILANWKZKMYHAAB-UHFFFAOYSA-N -1 0 318.423 3.816 50 0 DHAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000004671131 181134876 /nfs/dbraw/zinc/13/48/76/181134876.db2.gz LIXPZIQONOIOAF-LBPRGKRZSA-N -1 0 303.745 3.537 50 0 DHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000005234085 181218793 /nfs/dbraw/zinc/21/87/93/181218793.db2.gz BFFQPQSLEIGKJM-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM Cc1[n-]n2c(nc(C)c(Cl)c2=O)c1-c1ccc(Cl)cc1 ZINC000005730196 181277554 /nfs/dbraw/zinc/27/75/54/181277554.db2.gz NOMUQDSTXXTCMR-UHFFFAOYSA-N -1 0 308.168 3.613 50 0 DHAARM C[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000237590910 202295004 /nfs/dbraw/zinc/29/50/04/202295004.db2.gz ROXAVJWUOXIYAS-IFXJQAMLSA-N -1 0 323.392 3.537 50 0 DHAARM O=c1cc([O-])c2sc3nc(-c4cccs4)ccc3c2[nH]1 ZINC000006493913 181345566 /nfs/dbraw/zinc/34/55/66/181345566.db2.gz OXRYJTBFOCINHE-UHFFFAOYSA-N -1 0 300.364 3.572 50 0 DHAARM Cc1nc(-c2c(-c3ccccc3)ncn2[C@H](C)CC(=O)[O-])co1 ZINC000091624619 193080577 /nfs/dbraw/zinc/08/05/77/193080577.db2.gz SEZYTAMIHUGVDL-LLVKDONJSA-N -1 0 311.341 3.549 50 0 DHAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000008745263 181581514 /nfs/dbraw/zinc/58/15/14/181581514.db2.gz JDHZBFJXZBHVOS-CYBMUJFWSA-N -1 0 317.772 3.845 50 0 DHAARM O=C([O-])C1(CC(=O)Nc2cccc3c2CCCC3)CCCCC1 ZINC000013466628 181852926 /nfs/dbraw/zinc/85/29/26/181852926.db2.gz FARHSEKQEPGAHC-UHFFFAOYSA-N -1 0 315.413 3.929 50 0 DHAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000014806811 181972111 /nfs/dbraw/zinc/97/21/11/181972111.db2.gz KJSGAMITXFBSOT-JTQLQIEISA-N -1 0 320.172 3.644 50 0 DHAARM O=C([O-])c1ccccc1Sc1ccc(Br)cn1 ZINC000019438297 182123229 /nfs/dbraw/zinc/12/32/29/182123229.db2.gz FWHYZNJVVSEWIZ-UHFFFAOYSA-N -1 0 310.172 3.694 50 0 DHAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3cccc(F)c3)c12 ZINC000020328349 182208597 /nfs/dbraw/zinc/20/85/97/182208597.db2.gz NBJSGRPQKCLFHG-UHFFFAOYSA-N -1 0 303.318 3.581 50 0 DHAARM CC(C)(C)OC(=O)NC[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000038983248 183013633 /nfs/dbraw/zinc/01/36/33/183013633.db2.gz CBFFDJYYWUYODE-OAHLLOKOSA-N -1 0 315.369 3.533 50 0 DHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1Cc1ccccc1 ZINC000105413589 194103095 /nfs/dbraw/zinc/10/30/95/194103095.db2.gz FVFBHXQDUDBMHJ-AWEZNQCLSA-N -1 0 321.405 3.878 50 0 DHAARM Cc1sc2ncnc(N[C@H](C)C(=O)[O-])c2c1-c1ccccc1 ZINC000058279110 184098672 /nfs/dbraw/zinc/09/86/72/184098672.db2.gz LOZVXJHBSYBFFV-SECBINFHSA-N -1 0 313.382 3.552 50 0 DHAARM O=C([O-])c1cnc(/C=C/c2csc(-c3ccccn3)n2)s1 ZINC000058344408 184106986 /nfs/dbraw/zinc/10/69/86/184106986.db2.gz MLVMJAJOLQDUFU-SNAWJCMRSA-N -1 0 315.379 3.530 50 0 DHAARM CCOc1ccc(-c2c[nH]c(-c3ccccc3C(=O)[O-])n2)cc1 ZINC000065506066 184356545 /nfs/dbraw/zinc/35/65/45/184356545.db2.gz UXBGDHOZEQLHEJ-UHFFFAOYSA-N -1 0 308.337 3.841 50 0 DHAARM O=C([O-])CSc1ccc(C(=O)/C=C\c2cccs2)cc1F ZINC000096765776 257212091 /nfs/dbraw/zinc/21/20/91/257212091.db2.gz FAVLCPNBZNCYLK-PLNGDYQASA-N -1 0 322.382 3.960 50 0 DHAARM O=C([O-])Cc1c(-c2ccccc2)oc2c1c(=O)oc1ccccc21 ZINC000524730922 257214082 /nfs/dbraw/zinc/21/40/82/257214082.db2.gz CJRJWFIKCUNOPZ-UHFFFAOYSA-N -1 0 320.300 3.833 50 0 DHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc3c(c2)CCC3)[C@@H](C(=O)[O-])C1 ZINC000006848954 331499198 /nfs/dbraw/zinc/49/91/98/331499198.db2.gz OCJGRKZKQSBPLD-IRXDYDNUSA-N -1 0 313.397 3.561 50 0 DHAARM CCCc1cc(=O)[nH]c(C(=Cc2cc(C(=O)[O-])cs2)CC)n1 ZINC000435338945 338237498 /nfs/dbraw/zinc/23/74/98/338237498.db2.gz LWEVUPBZFGMPNU-UXBLZVDNSA-N -1 0 318.398 3.845 50 0 DHAARM CCc1sc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C ZINC000008429429 563948631 /nfs/dbraw/zinc/94/86/31/563948631.db2.gz TULOIYYSQKHUCP-UHFFFAOYSA-N -1 0 303.383 3.878 50 0 DHAARM Cc1nc(CC(C)C)sc1C(=O)Nc1nnc(C2CC2)s1 ZINC000067957908 563950758 /nfs/dbraw/zinc/95/07/58/563950758.db2.gz RPEWHLXISHPIER-UHFFFAOYSA-N -1 0 322.459 3.631 50 0 DHAARM [O-]C(=C[C@](O)(c1ccccc1)C(F)(F)F)c1cccs1 ZINC000000053611 563211965 /nfs/dbraw/zinc/21/19/65/563211965.db2.gz DRBLFYFYWKRWMI-ZDUSSCGKSA-N -1 0 300.301 3.771 50 0 DHAARM CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000000001984 563211074 /nfs/dbraw/zinc/21/10/74/563211074.db2.gz MQOBSOSZFYZQOK-UHFFFAOYSA-N -1 0 318.756 3.813 50 0 fda DHAARM O=C([O-])c1c2c(sc1NC(=O)c1cccs1)CCCC2 ZINC000000087317 563215211 /nfs/dbraw/zinc/21/52/11/563215211.db2.gz VJFZNWZNGQFKCT-UHFFFAOYSA-N -1 0 307.396 3.639 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000000102332 563217408 /nfs/dbraw/zinc/21/74/08/563217408.db2.gz OKKLBZGYMORYHE-UHFFFAOYSA-N -1 0 315.316 3.815 50 0 DHAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCCCC1 ZINC000000189186 563229157 /nfs/dbraw/zinc/22/91/57/563229157.db2.gz ZKKHHWRGTGRLKR-UHFFFAOYSA-N -1 0 309.365 3.678 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000238280 563232318 /nfs/dbraw/zinc/23/23/18/563232318.db2.gz AVQRPYDXZAOFPB-ZJUUUORDSA-N -1 0 316.184 3.823 50 0 DHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000303879 563237950 /nfs/dbraw/zinc/23/79/50/563237950.db2.gz VOOMJEASSKDLNP-UHFFFAOYSA-N -1 0 319.426 3.730 50 0 DHAARM O=C(c1ccccc1)c1ccc(O[C@@H]2CCCCC2=O)cc1[O-] ZINC000000337268 563242141 /nfs/dbraw/zinc/24/21/41/563242141.db2.gz OVOFNOCNAIVENJ-GOSISDBHSA-N -1 0 310.349 3.514 50 0 DHAARM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1 ZINC000000387192 563249341 /nfs/dbraw/zinc/24/93/41/563249341.db2.gz DORYIKUGPSJBHZ-UHFFFAOYSA-N -1 0 324.405 3.858 50 0 DHAARM CCOc1ccc(NC(=O)[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000393576 563250000 /nfs/dbraw/zinc/25/00/00/563250000.db2.gz ABMQTMNKACFCFY-KDOFPFPSSA-N -1 0 319.401 3.551 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000461743 563258902 /nfs/dbraw/zinc/25/89/02/563258902.db2.gz VSMUYYFJVFSVCA-VXGBXAGGSA-N -1 0 316.184 3.823 50 0 DHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000000470450 563260695 /nfs/dbraw/zinc/26/06/95/563260695.db2.gz RKMYFJGHSUYPAT-UHFFFAOYSA-N -1 0 317.819 3.519 50 0 DHAARM Cc1c(Cl)cccc1N[C@H](CC(=O)c1ccccc1)C(=O)[O-] ZINC000000482369 563262958 /nfs/dbraw/zinc/26/29/58/563262958.db2.gz FFZQJBQRNBTWNA-OAHLLOKOSA-N -1 0 317.772 3.787 50 0 DHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000000571004 563267883 /nfs/dbraw/zinc/26/78/83/563267883.db2.gz HYXKONSDJVOREU-UHFFFAOYSA-N -1 0 313.378 3.649 50 0 DHAARM Cn1cc(-c2ccccc2C(=O)[O-])c(=O)c2cc(Cl)ccc21 ZINC000001399805 563282793 /nfs/dbraw/zinc/28/27/93/563282793.db2.gz MSGUHPSAKUJTSL-UHFFFAOYSA-N -1 0 313.740 3.557 50 0 DHAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000002032940 563298204 /nfs/dbraw/zinc/29/82/04/563298204.db2.gz YQVMVCCFZCMYQB-JTQLQIEISA-N -1 0 321.735 3.599 50 0 in-vitro DHAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc(C)c1 ZINC000009191584 563352391 /nfs/dbraw/zinc/35/23/91/563352391.db2.gz SYRYGAUSPWLHTO-UHFFFAOYSA-N -1 0 318.380 3.662 50 0 DHAARM O=C([O-])c1cc(-c2ccco2)nc2c1cnn2-c1ccccc1F ZINC000012396009 563368085 /nfs/dbraw/zinc/36/80/85/563368085.db2.gz OYEKDHZVXUPMFI-UHFFFAOYSA-N -1 0 323.283 3.518 50 0 DHAARM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1cccs1 ZINC000028260397 563430721 /nfs/dbraw/zinc/43/07/21/563430721.db2.gz NPHBEQSNMAQCNV-UHFFFAOYSA-N -1 0 323.439 3.870 50 0 DHAARM O=C([O-])c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000032918474 563443531 /nfs/dbraw/zinc/44/35/31/563443531.db2.gz ZGDHMEPJGZJHFF-UHFFFAOYSA-N -1 0 310.284 3.773 50 0 DHAARM Cc1ccc(-c2nccc(Oc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000032918477 563444297 /nfs/dbraw/zinc/44/42/97/563444297.db2.gz DDFKWTNCTKAKKJ-UHFFFAOYSA-N -1 0 306.321 3.943 50 0 DHAARM O=C([O-])Cc1c2ccc(Cl)cc2[nH]c1C(=O)c1ccccc1 ZINC000033968828 563446322 /nfs/dbraw/zinc/44/63/22/563446322.db2.gz HQRJGLVSBRTHME-UHFFFAOYSA-N -1 0 313.740 3.679 50 0 DHAARM COc1ccc(-c2cc(=O)n(-c3cccc(C)c3)[n-]2)cc1OC ZINC000100070225 563542658 /nfs/dbraw/zinc/54/26/58/563542658.db2.gz JMBSGBQFYFNWIU-UHFFFAOYSA-N -1 0 310.353 3.571 50 0 DHAARM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc2ccccc2c1 ZINC000098073401 563544054 /nfs/dbraw/zinc/54/40/54/563544054.db2.gz RMHJGGFLMZHGJB-SFHVURJKSA-N -1 0 315.369 3.664 50 0 DHAARM O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1)c1ccccc1 ZINC000072233724 563568446 /nfs/dbraw/zinc/56/84/46/563568446.db2.gz AIHNUOAMIMLKCW-CQSZACIVSA-N -1 0 321.298 3.679 50 0 DHAARM O=C([O-])CC1(CC(=O)NCc2cccc(Cl)c2)CCCCC1 ZINC000000105452 563627641 /nfs/dbraw/zinc/62/76/41/563627641.db2.gz ODPCRGPDWMDZHZ-UHFFFAOYSA-N -1 0 323.820 3.772 50 0 DHAARM Cc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000000619641 563631763 /nfs/dbraw/zinc/63/17/63/563631763.db2.gz VXBLSTRDYLFVTN-UHFFFAOYSA-N -1 0 315.394 3.732 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000583651693 563651669 /nfs/dbraw/zinc/65/16/69/563651669.db2.gz RDWQCJUTSWTNSF-UHFFFAOYSA-N -1 0 311.337 3.568 50 0 DHAARM CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013012666 563655090 /nfs/dbraw/zinc/65/50/90/563655090.db2.gz GJWVNCAEGZOABK-OLZOCXBDSA-N -1 0 301.386 3.590 50 0 DHAARM O=C([O-])c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013166516 563657320 /nfs/dbraw/zinc/65/73/20/563657320.db2.gz JOUGPSQJSJTRPT-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM CCCC(=O)Nc1ccc(N2CCCCCC2)cc1C(=O)[O-] ZINC000045967540 563691083 /nfs/dbraw/zinc/69/10/83/563691083.db2.gz VHIMHACRJDENQN-UHFFFAOYSA-N -1 0 304.390 3.504 50 0 DHAARM O=C(Cc1coc2ccc3ccccc3c12)Nc1ncccc1O ZINC000048234550 563693520 /nfs/dbraw/zinc/69/35/20/563693520.db2.gz YNQDCDWHSTXSQN-UHFFFAOYSA-N -1 0 318.332 3.868 50 0 DHAARM O=C([O-])c1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1 ZINC000001386431 563814985 /nfs/dbraw/zinc/81/49/85/563814985.db2.gz XFABQXUSBLSPMK-UHFFFAOYSA-N -1 0 310.284 3.773 50 0 DHAARM C[C@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2ccc(F)cc21 ZINC000000209369 563886830 /nfs/dbraw/zinc/88/68/30/563886830.db2.gz BRWSLDOWDJZBNC-BJOHPYRUSA-N -1 0 311.312 3.733 50 0 biogenic DHAARM O=C(Nc1ccccc1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000170091685 563903572 /nfs/dbraw/zinc/90/35/72/563903572.db2.gz LHRKAOBAIVCRTH-KRWDZBQOSA-N -1 0 320.348 3.787 50 0 DHAARM O=c1[nH]c(-c2cc(Cl)cc(Cl)c2[O-])nc2ccccc12 ZINC000002525550 563924994 /nfs/dbraw/zinc/92/49/94/563924994.db2.gz IZKYBVYMLNWKGE-UHFFFAOYSA-N -1 0 307.136 3.603 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000096029351 563935357 /nfs/dbraw/zinc/93/53/57/563935357.db2.gz FICCUPYHHFFCIM-YFHOEESVSA-N -1 0 301.729 3.690 50 0 DHAARM Cc1onc(-c2ccc(Cl)c(Br)c2)c1C(=O)[O-] ZINC000137264088 563936337 /nfs/dbraw/zinc/93/63/37/563936337.db2.gz HQSHPERMWYNWJW-UHFFFAOYSA-N -1 0 316.538 3.764 50 0 DHAARM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(Cl)s1 ZINC000007988242 563946005 /nfs/dbraw/zinc/94/60/05/563946005.db2.gz WPUVLJNYKQIDRV-UHFFFAOYSA-N -1 0 324.814 3.751 50 0 DHAARM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1cc2ccccc2o1 ZINC000008922369 563951463 /nfs/dbraw/zinc/95/14/63/563951463.db2.gz AQGYYCHQBRLWBD-LBPRGKRZSA-N -1 0 315.369 3.645 50 0 DHAARM O=c1nc(CSCc2cccc(F)c2)[n-]c2ccsc21 ZINC000009253214 563954565 /nfs/dbraw/zinc/95/45/65/563954565.db2.gz XCMLNGZJGLPCQJ-UHFFFAOYSA-N -1 0 306.387 3.557 50 0 DHAARM C[C@H](CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000000390492 568421609 /nfs/dbraw/zinc/42/16/09/568421609.db2.gz FIKVYIRIUOFLLR-SNVBAGLBSA-N -1 0 304.292 3.925 50 0 investigational DHAARM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC000262247945 598154628 /nfs/dbraw/zinc/15/46/28/598154628.db2.gz CPEXSIUGQMLBDF-KRWDZBQOSA-N -1 0 324.380 3.537 50 0 DHAARM CC[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])c1cccc(Cl)c1 ZINC000069550210 939032014 /nfs/dbraw/zinc/03/20/14/939032014.db2.gz ZFXCWFMTTICYJN-HNNXBMFYSA-N -1 0 313.781 3.555 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC000649265600 975406136 /nfs/dbraw/zinc/40/61/36/975406136.db2.gz JIHDTPXSEWCTMB-HNNXBMFYSA-N -1 0 317.429 3.877 50 0 DHAARM CCOC(=O)/C(C)=C/c1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000148036704 1015734549 /nfs/dbraw/zinc/73/45/49/1015734549.db2.gz YHVIKIKTANFPCN-QPJJXVBHSA-N -1 0 303.141 3.658 50 0 DHAARM CCCc1c(C)nc2c(-c3ccc(OC)cc3)c(C)[n-]n2c1=O ZINC000102668241 1016151736 /nfs/dbraw/zinc/15/17/36/1016151736.db2.gz VCOBABGIFIFQKG-UHFFFAOYSA-N -1 0 311.385 3.680 50 0 DHAARM O=C([O-])c1nc(N2CC[C@@H](c3ccccc3F)C2)ccc1Cl ZINC000095501796 185375218 /nfs/dbraw/zinc/37/52/18/185375218.db2.gz ZJKXJZKWBKHSJK-SNVBAGLBSA-N -1 0 320.751 3.566 50 0 DHAARM Cc1cccc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)c1C ZINC000072148581 191054847 /nfs/dbraw/zinc/05/48/47/191054847.db2.gz GUFHJUVFBIIORW-HNNXBMFYSA-N -1 0 323.392 3.631 50 0 DHAARM Cc1cc(OCCCC(=O)[O-])c(Br)c(C)c1Cl ZINC000001787387 180896511 /nfs/dbraw/zinc/89/65/11/180896511.db2.gz DZNYGEYQUJHTQS-UHFFFAOYSA-N -1 0 321.598 3.963 50 0 DHAARM CCO[P@](=O)([O-])[C@@H](Oc1ccccc1O)c1ccccc1 ZINC000002479099 180926197 /nfs/dbraw/zinc/92/61/97/180926197.db2.gz HUMJAVWEOUTXCZ-OAHLLOKOSA-N -1 0 308.270 3.692 50 0 DHAARM Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)[O-])cc1 ZINC000002342204 180920331 /nfs/dbraw/zinc/92/03/31/180920331.db2.gz HPGOPLQHCDPWKE-UHFFFAOYSA-N -1 0 310.378 3.808 50 0 DHAARM O=C([O-])/C=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000003316925 181004488 /nfs/dbraw/zinc/00/44/88/181004488.db2.gz SBVOFXWCULDIMN-YVGDHZEHSA-N -1 0 314.181 3.656 50 0 DHAARM COc1cnc(SCc2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000004003220 181061285 /nfs/dbraw/zinc/06/12/85/181061285.db2.gz BNJWJXCNWYBPBU-UHFFFAOYSA-N -1 0 304.415 3.781 50 0 DHAARM O=C([O-])c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000004284459 181092689 /nfs/dbraw/zinc/09/26/89/181092689.db2.gz FFFPYJTVNSSLBQ-UHFFFAOYSA-N -1 0 320.344 3.976 50 0 in-man DHAARM Cc1ccc(C)c(NC(=O)[C@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC000004425739 181108830 /nfs/dbraw/zinc/10/88/30/181108830.db2.gz LJSSAUPUMWBCOY-INIZCTEOSA-N -1 0 311.381 3.576 50 0 DHAARM CCCc1c(C)nc2c(OC)cccc2c1SCC(=O)[O-] ZINC000004674706 181135257 /nfs/dbraw/zinc/13/52/57/181135257.db2.gz MBNGFBPVBDVKLQ-UHFFFAOYSA-N -1 0 305.399 3.681 50 0 DHAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1 ZINC000004688509 181137143 /nfs/dbraw/zinc/13/71/43/181137143.db2.gz FPSBQEWGWKSUDI-UHFFFAOYSA-N -1 0 312.350 3.958 50 0 DHAARM CC[C@H](C)c1ccc(OCc2n[n-]c(=NC(=O)OC)s2)cc1 ZINC000004694994 181137669 /nfs/dbraw/zinc/13/76/69/181137669.db2.gz GRRIVRQDFXWMMG-JTQLQIEISA-N -1 0 321.402 3.809 50 0 DHAARM CCc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])cc3)ccc12 ZINC000004745970 181147039 /nfs/dbraw/zinc/14/70/39/181147039.db2.gz SAPUUAVIUWAMQD-UHFFFAOYSA-N -1 0 324.332 3.633 50 0 DHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000004803920 181153951 /nfs/dbraw/zinc/15/39/51/181153951.db2.gz RWXGSIZUGMFQJI-UONOGXRCSA-N -1 0 307.777 3.726 50 0 DHAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(Cl)cc2)cc1C ZINC000005031736 181193974 /nfs/dbraw/zinc/19/39/74/181193974.db2.gz ANCHXQRBAYAEDT-UHFFFAOYSA-N -1 0 322.813 3.613 50 0 DHAARM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237414844 202258710 /nfs/dbraw/zinc/25/87/10/202258710.db2.gz UITYXZGVIBBEFZ-SNVBAGLBSA-N -1 0 313.309 3.557 50 0 DHAARM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1Cl ZINC000089363787 192774709 /nfs/dbraw/zinc/77/47/09/192774709.db2.gz IYIYVMQSHAFDRF-UHFFFAOYSA-N -1 0 319.817 3.682 50 0 DHAARM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237604633 202299757 /nfs/dbraw/zinc/29/97/57/202299757.db2.gz UITYXZGVIBBEFZ-JTQLQIEISA-N -1 0 313.309 3.557 50 0 DHAARM Cc1ccccc1[C@H]1CCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000237676075 202325885 /nfs/dbraw/zinc/32/58/85/202325885.db2.gz ZKCAXQQVWPJSNS-OAHLLOKOSA-N -1 0 303.402 3.550 50 0 DHAARM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1cccc2ccccc21 ZINC000005985651 181303790 /nfs/dbraw/zinc/30/37/90/181303790.db2.gz AKAUNIMNAGCNIG-UHFFFAOYSA-N -1 0 323.377 3.517 50 0 DHAARM Cc1ccc(-c2nnc(SCC(=O)[O-])c3ccccc32)cc1 ZINC000006215077 181320002 /nfs/dbraw/zinc/32/00/02/181320002.db2.gz ILRNILYBTKQBKM-UHFFFAOYSA-N -1 0 310.378 3.782 50 0 DHAARM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccccc1F ZINC000006707129 181376174 /nfs/dbraw/zinc/37/61/74/181376174.db2.gz KMYHCKGZRQAJBU-UHFFFAOYSA-N -1 0 305.374 3.505 50 0 DHAARM Fc1c(F)c(Br)c([S-])cc1Br ZINC000263625417 203488070 /nfs/dbraw/zinc/48/80/70/203488070.db2.gz ZTEDUQVHDQWJTA-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2Cl)cc1 ZINC000013178440 181836699 /nfs/dbraw/zinc/83/66/99/181836699.db2.gz IPLZJWBGHILOKW-OAHLLOKOSA-N -1 0 317.772 3.594 50 0 DHAARM O=C([O-])C1(CC(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 ZINC000013250251 181839595 /nfs/dbraw/zinc/83/95/95/181839595.db2.gz RKCFECXPUIPLQK-UHFFFAOYSA-N -1 0 315.291 3.679 50 0 DHAARM CCc1cccc(C)c1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013466786 181852588 /nfs/dbraw/zinc/85/25/88/181852588.db2.gz LDWDEJWLEPXSBF-UHFFFAOYSA-N -1 0 303.402 3.921 50 0 DHAARM CC[C@](C)(CC(=O)[O-])CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000014135759 181927980 /nfs/dbraw/zinc/92/79/80/181927980.db2.gz QOEHKQMUPTUOHK-HNNXBMFYSA-N -1 0 313.781 3.568 50 0 DHAARM Oc1ccc(CCc2n[n-]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000015923551 182024875 /nfs/dbraw/zinc/02/48/75/182024875.db2.gz CAQNCYJKSKYPSA-UHFFFAOYSA-N -1 0 315.373 3.560 50 0 DHAARM Cc1ccc(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1C ZINC000016806880 182061361 /nfs/dbraw/zinc/06/13/61/182061361.db2.gz STMFZSXZFPUWBQ-UHFFFAOYSA-N -1 0 306.369 3.528 50 0 DHAARM O=C([O-])CCc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000020227014 182199592 /nfs/dbraw/zinc/19/95/92/182199592.db2.gz WISLVKWHUVLGRI-UHFFFAOYSA-N -1 0 303.745 3.610 50 0 DHAARM Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(=O)[O-])c1Cl ZINC000020617284 182239598 /nfs/dbraw/zinc/23/95/98/182239598.db2.gz NGQMEMBMAGBYSY-UHFFFAOYSA-N -1 0 322.151 3.710 50 0 DHAARM Cc1cc2nc(-c3ccc(Cl)cc3Cl)cc(C(=O)[O-])n2n1 ZINC000020605061 182237235 /nfs/dbraw/zinc/23/72/35/182237235.db2.gz SGSRUURPYWGHEJ-UHFFFAOYSA-N -1 0 322.151 3.710 50 0 DHAARM O=C([O-])[C@@H]1CCC[C@H]1CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000043879147 183388470 /nfs/dbraw/zinc/38/84/70/183388470.db2.gz UGFUCGXBLWHIFS-CMPLNLGQSA-N -1 0 300.276 3.779 50 0 DHAARM Cc1ccc2c(C=O)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000045795968 183530152 /nfs/dbraw/zinc/53/01/52/183530152.db2.gz JYGPREUTAYOPAU-UHFFFAOYSA-N -1 0 311.312 3.648 50 0 DHAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc1 ZINC000064820295 184303718 /nfs/dbraw/zinc/30/37/18/184303718.db2.gz RAEUUGIXBDVIEK-UHFFFAOYSA-N -1 0 324.380 3.546 50 0 DHAARM Cc1ccsc1CN(C(=O)c1ccccc1C(=O)[O-])C1CC1 ZINC000426424171 257250272 /nfs/dbraw/zinc/25/02/72/257250272.db2.gz AOFFVZOPWKZIBB-UHFFFAOYSA-N -1 0 315.394 3.560 50 0 DHAARM COc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000001064822 257254234 /nfs/dbraw/zinc/25/42/34/257254234.db2.gz PORGDLOVJFDZAX-UHFFFAOYSA-N -1 0 312.152 3.960 50 0 DHAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(C)(C)C ZINC000000484917 425564798 /nfs/dbraw/zinc/56/47/98/425564798.db2.gz KPRKXGFJZDTVBK-UHFFFAOYSA-N -1 0 310.444 3.550 50 0 DHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000000615578 563270066 /nfs/dbraw/zinc/27/00/66/563270066.db2.gz KFOURRBBMBDVGP-UHFFFAOYSA-N -1 0 323.439 3.526 50 0 DHAARM COc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1OC ZINC000000035852 563211428 /nfs/dbraw/zinc/21/14/28/563211428.db2.gz XJSXKUVHNQWOPH-UHFFFAOYSA-N -1 0 309.321 3.617 50 0 DHAARM O=C([O-])c1c2c(sc1NC(=O)c1ccccc1)CCCCC2 ZINC000000210056 563230920 /nfs/dbraw/zinc/23/09/20/563230920.db2.gz QDYMHZHYDQJVLN-UHFFFAOYSA-N -1 0 315.394 3.968 50 0 DHAARM O=C([O-])c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000000260125 563233864 /nfs/dbraw/zinc/23/38/64/563233864.db2.gz XDEQHYWMTHWMQF-UHFFFAOYSA-N -1 0 306.277 3.848 50 0 DHAARM CCC(=O)c1cc(Br)cc(Br)c1[O-] ZINC000000494906 563263468 /nfs/dbraw/zinc/26/34/68/563263468.db2.gz SZHDDFCJUTYETK-UHFFFAOYSA-N -1 0 307.969 3.510 50 0 DHAARM O=C([O-])C[C@H](c1ccccc1Cl)N1Cc2ccccc2C1=O ZINC000002597314 563310456 /nfs/dbraw/zinc/31/04/56/563310456.db2.gz AZQHEZREKZAMPQ-OAHLLOKOSA-N -1 0 315.756 3.512 50 0 DHAARM O=C([O-])c1csc(COc2cc(Cl)cc(Cl)c2)n1 ZINC000003126935 563322678 /nfs/dbraw/zinc/32/26/78/563322678.db2.gz OCTDVWIQWSVSFP-UHFFFAOYSA-N -1 0 304.154 3.727 50 0 DHAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000012243761 563365388 /nfs/dbraw/zinc/36/53/88/563365388.db2.gz NVTYOXYHOQDJRD-UHFFFAOYSA-N -1 0 303.261 3.715 50 0 DHAARM Cc1ccc(CN[C@H](c2ccc(C)cc2C)[P@@](=O)([O-])O)cc1 ZINC000012997472 563376396 /nfs/dbraw/zinc/37/63/96/563376396.db2.gz JSHUXALHHSMGIJ-KRWDZBQOSA-N -1 0 319.341 3.578 50 0 DHAARM Oc1ccc(-c2n[n-]c(=S)n2-c2cccc3ncccc32)cc1 ZINC000013569743 563383269 /nfs/dbraw/zinc/38/32/69/563383269.db2.gz VSNLAZKVACCHNA-UHFFFAOYSA-N -1 0 320.377 3.851 50 0 DHAARM CCCCc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000014255902 563399728 /nfs/dbraw/zinc/39/97/28/563399728.db2.gz ATPCNCZESKEKQP-UHFFFAOYSA-N -1 0 319.426 3.839 50 0 DHAARM CC(C)c1cc(=O)n2[n-]cc(-c3cccc4ccccc43)c2n1 ZINC000102398384 563451111 /nfs/dbraw/zinc/45/11/11/563451111.db2.gz RIMPYTOBTCUMMY-UHFFFAOYSA-N -1 0 303.365 3.966 50 0 DHAARM CC(C)Cc1cc(C(F)F)c2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000067620991 563487497 /nfs/dbraw/zinc/48/74/97/563487497.db2.gz BAAASFKFXLUIQS-UHFFFAOYSA-N -1 0 324.352 3.980 50 0 DHAARM Cc1ccc2[nH]c(-c3cc(Cl)ccc3OCC(=O)[O-])nc2c1 ZINC000067725820 563489553 /nfs/dbraw/zinc/48/95/53/563489553.db2.gz MLEDTWUBJJHIOC-UHFFFAOYSA-N -1 0 316.744 3.655 50 0 DHAARM O=C([O-])Cc1cccc(-n2ccnc2-c2ccc(Cl)s2)c1 ZINC000077486836 563510995 /nfs/dbraw/zinc/51/09/95/563510995.db2.gz BKJZAWMRXBJONA-UHFFFAOYSA-N -1 0 318.785 3.881 50 0 DHAARM COc1ccccc1-n1[n-]c(-c2ccccc2Cl)cc1=O ZINC000101265212 563556786 /nfs/dbraw/zinc/55/67/86/563556786.db2.gz QTHLQUCLRBVOJU-UHFFFAOYSA-N -1 0 300.745 3.907 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)CCSc1ccccc1 ZINC000000454261 563616833 /nfs/dbraw/zinc/61/68/33/563616833.db2.gz AIPSNJJEXVYPPD-UHFFFAOYSA-N -1 0 301.367 3.506 50 0 DHAARM O=C(c1ccc(Br)cc1)C1=C([O-])c2ccoc2CC1 ZINC000000529522 563665220 /nfs/dbraw/zinc/66/52/20/563665220.db2.gz OSGNVDXVAYENHQ-LBPRGKRZSA-N -1 0 319.154 3.670 50 0 DHAARM COc1cccc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c1O ZINC000000255221 563674173 /nfs/dbraw/zinc/67/41/73/563674173.db2.gz DZXOTQQLBJVFFQ-CAOOACKPSA-N -1 0 305.717 3.503 50 0 biogenic DHAARM COc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2[O-])cc1 ZINC000215851057 563707316 /nfs/dbraw/zinc/70/73/16/563707316.db2.gz KZVXRDPWWYVVTH-UHFFFAOYSA-N -1 0 300.745 3.907 50 0 DHAARM O=C(N[C@H]1CCCc2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000028642956 563756553 /nfs/dbraw/zinc/75/65/53/563756553.db2.gz UQEGIUFQTRXDQV-HNNXBMFYSA-N -1 0 301.773 3.853 50 0 DHAARM COCCn1cc(C(=O)Nc2ccc(C)cc2O)c2ccccc21 ZINC000084146173 563823857 /nfs/dbraw/zinc/82/38/57/563823857.db2.gz PTOGDPVBENFPFH-UHFFFAOYSA-N -1 0 324.380 3.554 50 0 DHAARM CCn1c2ccc(O)cc2c(C(=O)[O-])c1-c1ccc(OC)cc1 ZINC000075261006 563862351 /nfs/dbraw/zinc/86/23/51/563862351.db2.gz BMUUWRJZQKXTLF-UHFFFAOYSA-N -1 0 311.337 3.741 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1N1CCCCC1 ZINC000000117890 563886743 /nfs/dbraw/zinc/88/67/43/563886743.db2.gz ZRWHJXWOTJWLCY-UHFFFAOYSA-N -1 0 318.417 3.506 50 0 DHAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1cccc(Cl)c1 ZINC000036559082 563901171 /nfs/dbraw/zinc/90/11/71/563901171.db2.gz IXHZGXFSBARJLH-MRVPVSSYSA-N -1 0 308.746 3.618 50 0 DHAARM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000089884932 563912033 /nfs/dbraw/zinc/91/20/33/563912033.db2.gz SXWGKMBRYWJTFZ-CQSZACIVSA-N -1 0 320.751 3.557 50 0 DHAARM Clc1ccc(-c2n[nH]cc2-c2nnc(-c3ccncc3)o2)cc1 ZINC000170637965 563913781 /nfs/dbraw/zinc/91/37/81/563913781.db2.gz HTCTUUIFZKIQEZ-UHFFFAOYSA-N -1 0 323.743 3.842 50 0 DHAARM O=C([O-])Cc1sc(-c2ccccn2)nc1-c1cccs1 ZINC000007777132 563919152 /nfs/dbraw/zinc/91/91/52/563919152.db2.gz YELWQAWDDDFCSN-UHFFFAOYSA-N -1 0 302.380 3.561 50 0 DHAARM O=C([O-])c1cc(-c2ccccc2OC[C@H]2CCOC2)ccc1F ZINC000579853326 563920677 /nfs/dbraw/zinc/92/06/77/563920677.db2.gz MGRFKWUKXDEWBK-LBPRGKRZSA-N -1 0 316.328 3.606 50 0 DHAARM C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)[O-])C1 ZINC000000099031 563926616 /nfs/dbraw/zinc/92/66/16/563926616.db2.gz DKJPTVSWOHYFRL-SNVBAGLBSA-N -1 0 315.394 3.823 50 0 DHAARM CC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000095992929 563934501 /nfs/dbraw/zinc/93/45/01/563934501.db2.gz HNWCHPOPJDJHCC-UHFFFAOYSA-N -1 0 323.801 3.881 50 0 DHAARM Cc1nc(CCCC(=O)Nc2cccc(Cl)c2[O-])cs1 ZINC000096456292 563937204 /nfs/dbraw/zinc/93/72/04/563937204.db2.gz UIEMXNNCLRIAAO-UHFFFAOYSA-N -1 0 310.806 3.772 50 0 DHAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccccc1Cl ZINC000009513855 563956477 /nfs/dbraw/zinc/95/64/77/563956477.db2.gz HUWIJZFNWDKPBW-UHFFFAOYSA-N -1 0 302.182 3.794 50 0 DHAARM O=C([O-])c1cc(-c2ccccc2)nc2onc(-c3ccco3)c21 ZINC000008391786 563948388 /nfs/dbraw/zinc/94/83/88/563948388.db2.gz YSXILCOZCIQJOZ-UHFFFAOYSA-N -1 0 306.277 3.848 50 0 DHAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccccc1Cl ZINC000071281193 563957982 /nfs/dbraw/zinc/95/79/82/563957982.db2.gz FTKAQOLRHVMRGL-SSDOTTSWSA-N -1 0 308.746 3.618 50 0 DHAARM O=C([O-])COc1ccc(/C=C/c2ccc3ccccc3n2)cc1 ZINC000007586825 956881902 /nfs/dbraw/zinc/88/19/02/956881902.db2.gz SLCJHJZWABSQGY-WEVVVXLNSA-N -1 0 305.333 3.869 50 0 DHAARM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCc3ccccc3C2)c1 ZINC000581731147 974914810 /nfs/dbraw/zinc/91/48/10/974914810.db2.gz MDPHTWZUHMZEFS-GUYCJALGSA-N -1 0 323.392 3.618 50 0 DHAARM CC(C)c1ccc([C@@H]2CCCN2C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000630300043 975239301 /nfs/dbraw/zinc/23/93/01/975239301.db2.gz YAIZNIBAUUTQQL-YOEHRIQHSA-N -1 0 317.429 3.974 50 0 DHAARM C[C@H]1CCc2c(C(=O)Nc3ccccc3C(=O)[O-])csc2C1 ZINC000011689779 1016778598 /nfs/dbraw/zinc/77/85/98/1016778598.db2.gz DDRZFSOXBRPLMC-JTQLQIEISA-N -1 0 315.394 3.823 50 0 DHAARM CCCc1cc(=O)n2[n-]cc(-c3cccc4ccccc43)c2n1 ZINC000103329855 1021504141 /nfs/dbraw/zinc/50/41/41/1021504141.db2.gz ZIUOSIGKYJZGIA-UHFFFAOYSA-N -1 0 303.365 3.795 50 0 DHAARM Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)[O-] ZINC000006681415 1027343423 /nfs/dbraw/zinc/34/34/23/1027343423.db2.gz OCZBKWWREAQOFJ-SREVYHEPSA-N -1 0 311.168 3.644 50 0 DHAARM O=C([O-])c1ccc(OCc2cccc(Br)c2)cc1 ZINC000013413102 190637771 /nfs/dbraw/zinc/63/77/71/190637771.db2.gz GVPOODVGKYUSNC-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM O=C([O-])CCCCN1CCc2cc(Cl)cc(Cl)c2C1 ZINC000181572294 199319852 /nfs/dbraw/zinc/31/98/52/199319852.db2.gz QXFIUPZFKFYHLP-UHFFFAOYSA-N -1 0 302.201 3.606 50 0 DHAARM Cc1c(C(=O)[O-])c2cc(Br)ccc2nc1C1CC1 ZINC000072293299 191109883 /nfs/dbraw/zinc/10/98/83/191109883.db2.gz IWHYAUQGNPZERJ-UHFFFAOYSA-N -1 0 306.159 3.881 50 0 DHAARM Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000003296267 181001613 /nfs/dbraw/zinc/00/16/13/181001613.db2.gz RKCXESPCTJVFPB-UHFFFAOYSA-N -1 0 305.131 3.545 50 0 DHAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc(Cl)nc1 ZINC000003384175 181014072 /nfs/dbraw/zinc/01/40/72/181014072.db2.gz BVVILRDXIMRVNZ-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM Cn1nc(C(F)(F)F)c(C(=O)[O-])c1Oc1cccc(Cl)c1 ZINC000003883122 181052428 /nfs/dbraw/zinc/05/24/28/181052428.db2.gz CTNOWZKNZZFOFF-UHFFFAOYSA-N -1 0 320.654 3.583 50 0 DHAARM CCc1cc2c([n-]c(=S)n(Cc3ccccc3)c2=O)s1 ZINC000003887742 181052980 /nfs/dbraw/zinc/05/29/80/181052980.db2.gz HRNKNWRDAIPEIA-UHFFFAOYSA-N -1 0 302.424 3.731 50 0 DHAARM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)[O-])cc12 ZINC000003886310 181053044 /nfs/dbraw/zinc/05/30/44/181053044.db2.gz CBYFTRBPUXVCOQ-UHFFFAOYSA-N -1 0 306.774 3.806 50 0 DHAARM COc1ccc(C)cc1C(=O)[C@@H]1C[C@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000004197574 181084851 /nfs/dbraw/zinc/08/48/51/181084851.db2.gz KRNMUMVLRVSPQF-YRGRVCCFSA-N -1 0 304.386 3.569 50 0 DHAARM C=Cc1ccc(Cn2c3ccccc3c(C=O)c2C(=O)[O-])cc1 ZINC000004636237 181130889 /nfs/dbraw/zinc/13/08/89/181130889.db2.gz RPPZKECJAPWGOF-UHFFFAOYSA-N -1 0 305.333 3.843 50 0 DHAARM CCCCCOc1ccc(C(=O)NCCCCCC(=O)[O-])cc1 ZINC000004989555 181186136 /nfs/dbraw/zinc/18/61/36/181186136.db2.gz CBSWOPHFEIKQEF-UHFFFAOYSA-N -1 0 321.417 3.630 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000005015232 181191221 /nfs/dbraw/zinc/19/12/21/181191221.db2.gz GMOPXWDCZJACIN-UHFFFAOYSA-N -1 0 321.785 3.769 50 0 DHAARM CCc1cc2c(cc1[O-])oc(C)c(-c1ccc3c(c1)OCO3)c2=O ZINC000005686749 181271718 /nfs/dbraw/zinc/27/17/18/181271718.db2.gz FFZJNTHEDRSRDI-UHFFFAOYSA-N -1 0 324.332 3.765 50 0 biogenic DHAARM S=c1[n-]nc(Cc2noc3ccccc23)n1-c1ccccc1 ZINC000005757249 181280634 /nfs/dbraw/zinc/28/06/34/181280634.db2.gz JJTWVDXBXGNNSD-UHFFFAOYSA-N -1 0 308.366 3.662 50 0 DHAARM CCc1cccc(CC)c1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000005909012 181295141 /nfs/dbraw/zinc/29/51/41/181295141.db2.gz YCBDARFIOKMGMT-LSDHHAIUSA-N -1 0 303.402 3.641 50 0 DHAARM Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c(C)c1 ZINC000237669396 202323823 /nfs/dbraw/zinc/32/38/23/202323823.db2.gz FQMMBVDOIYOYJW-UHFFFAOYSA-N -1 0 323.392 3.502 50 0 DHAARM CC[C@H](C)[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000006440771 181341644 /nfs/dbraw/zinc/34/16/44/181341644.db2.gz MNDHHXNRWCXHNR-WRWORJQWSA-N -1 0 319.188 3.614 50 0 DHAARM Cc1cccc(NC(=O)Nc2c([O-])c3ccccc3oc2=O)c1C ZINC000006746720 181381767 /nfs/dbraw/zinc/38/17/67/181381767.db2.gz XUNJBKLOWALCAZ-UHFFFAOYSA-N -1 0 324.336 3.759 50 0 DHAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2C(=O)[O-] ZINC000257346544 203068706 /nfs/dbraw/zinc/06/87/06/203068706.db2.gz PMVFYJLNDAMKPJ-BOMIMWLXSA-N -1 0 316.441 3.931 50 0 DHAARM O=C([O-])c1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000008274372 181542879 /nfs/dbraw/zinc/54/28/79/181542879.db2.gz RWWDDLCMTDKVDT-UHFFFAOYSA-N -1 0 301.367 3.577 50 0 DHAARM [S-]c1ccccc1-c1nn2c(nnc2-c2ccccc2)s1 ZINC000012274155 181745320 /nfs/dbraw/zinc/74/53/20/181745320.db2.gz ROXJWDQHGWQKQS-UHFFFAOYSA-N -1 0 310.407 3.809 50 0 DHAARM CC(C)(C)c1nnc(Nc2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000016776972 182060048 /nfs/dbraw/zinc/06/00/48/182060048.db2.gz OPDVCUBEXQHKOA-UHFFFAOYSA-N -1 0 313.188 3.513 50 0 DHAARM CCCc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1 ZINC000017053439 182071320 /nfs/dbraw/zinc/07/13/20/182071320.db2.gz ILIKUTBESPAALJ-YQEWQEHLSA-N -1 0 315.413 3.715 50 0 DHAARM CCc1cc(C(=O)[O-])c2c(C3CC3)nn(Cc3ccccc3)c2n1 ZINC000022637809 182329884 /nfs/dbraw/zinc/32/98/84/182329884.db2.gz YVHRNGRYZYXACD-UHFFFAOYSA-N -1 0 321.380 3.618 50 0 DHAARM O=C([O-])[C@@H]1CC[C@H](CC(=O)c2ccccc2C(F)(F)F)C1 ZINC000043879093 183388651 /nfs/dbraw/zinc/38/86/51/183388651.db2.gz SJYYLUUYOGRNAZ-VHSXEESVSA-N -1 0 300.276 3.779 50 0 DHAARM C[C@H](C(=O)[O-])[C@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000044069010 183393402 /nfs/dbraw/zinc/39/34/02/183393402.db2.gz NGZGAVAHPCNQJR-CABZTGNLSA-N -1 0 313.781 3.627 50 0 DHAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000069549999 257217243 /nfs/dbraw/zinc/21/72/43/257217243.db2.gz QMOFMPXYBDCNQQ-JTQLQIEISA-N -1 0 320.172 3.644 50 0 biogenic DHAARM CC(=O)Nc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000081121 331459212 /nfs/dbraw/zinc/45/92/12/331459212.db2.gz ZCKWIRNYRQKPNV-UHFFFAOYSA-N -1 0 306.321 3.558 50 0 DHAARM CCn1ncc(-c2ccccc2OCc2ccccc2)c1C(=O)[O-] ZINC000534636231 334309399 /nfs/dbraw/zinc/30/93/99/334309399.db2.gz GOCIMWUHFUIRNU-UHFFFAOYSA-N -1 0 322.364 3.847 50 0 DHAARM CCCCOC(=O)N=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000002407562 563303828 /nfs/dbraw/zinc/30/38/28/563303828.db2.gz CZGLZUALGZJINN-UHFFFAOYSA-N -1 0 309.366 3.617 50 0 DHAARM CCOC(=O)c1c([N-]C(=S)SC)sc2c1CCCC2 ZINC000000032658 563211212 /nfs/dbraw/zinc/21/12/12/563211212.db2.gz RMNFVEIFRCKOBS-UHFFFAOYSA-N -1 0 315.485 3.863 50 0 DHAARM Cc1c(O[C@H](C)C(=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000044637 563211764 /nfs/dbraw/zinc/21/17/64/563211764.db2.gz UJGVKTUGTHSXJA-GFCCVEGCSA-N -1 0 324.332 3.620 50 0 biogenic DHAARM Cc1ccc(NC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000000152590 563225091 /nfs/dbraw/zinc/22/50/91/563225091.db2.gz UZOSJGSHVCEYIN-UHFFFAOYSA-N -1 0 312.369 3.504 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000000470052 563260046 /nfs/dbraw/zinc/26/00/46/563260046.db2.gz JKWQFEAKRDYWPR-UHFFFAOYSA-N -1 0 321.332 3.556 50 0 DHAARM O=C([O-])Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000001397894 563282801 /nfs/dbraw/zinc/28/28/01/563282801.db2.gz JTRGFFGNSJIZNE-UHFFFAOYSA-N -1 0 315.177 3.913 50 0 DHAARM O=C([O-])c1ccc(OCc2ccccc2)c(Br)c1 ZINC000001746157 563294701 /nfs/dbraw/zinc/29/47/01/563294701.db2.gz LLEJAZSHLCCNNV-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM CCCCC(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)CCCC ZINC000002362862 563302841 /nfs/dbraw/zinc/30/28/41/563302841.db2.gz FWWTTYOZPXNTMR-UHFFFAOYSA-N -1 0 320.389 3.642 50 0 DHAARM CCCCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000003094733 563321976 /nfs/dbraw/zinc/32/19/76/563321976.db2.gz MHUFBSHKGRBQKW-HOTGVXAUSA-N -1 0 319.401 3.695 50 0 DHAARM CCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000002797287 563342685 /nfs/dbraw/zinc/34/26/85/563342685.db2.gz HRFBCRAAFBIOTO-JKSUJKDBSA-N -1 0 301.386 3.635 50 0 DHAARM COc1ccc(CNc2cc(C(=O)[O-])ccc2Cl)c(OC)c1 ZINC000008990996 563351506 /nfs/dbraw/zinc/35/15/06/563351506.db2.gz RAFWCSKBGKSEQC-UHFFFAOYSA-N -1 0 321.760 3.668 50 0 DHAARM O=C([O-])c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21 ZINC000012394289 563368374 /nfs/dbraw/zinc/36/83/74/563368374.db2.gz UVFDODMDTQOIQP-UHFFFAOYSA-N -1 0 306.277 3.848 50 0 DHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2)cc1 ZINC000032611422 563371728 /nfs/dbraw/zinc/37/17/28/563371728.db2.gz ZMQPXFUVSROIBC-UHFFFAOYSA-N -1 0 324.833 3.833 50 0 DHAARM CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013091800 563377400 /nfs/dbraw/zinc/37/74/00/563377400.db2.gz IAIHUFPLLGSWNY-UHFFFAOYSA-N -1 0 311.381 3.612 50 0 DHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000013225163 563380075 /nfs/dbraw/zinc/38/00/75/563380075.db2.gz FXUMVFKWQOPVTE-SZMVWBNQSA-N -1 0 323.392 3.698 50 0 DHAARM O=C([O-])c1cc(-c2cccs2)nc2c(-c3ccccc3)cnn21 ZINC000013645471 563384280 /nfs/dbraw/zinc/38/42/80/563384280.db2.gz UZCRVGQPEADZNH-UHFFFAOYSA-N -1 0 321.361 3.823 50 0 DHAARM O=C([O-])c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000032920035 563444465 /nfs/dbraw/zinc/44/44/65/563444465.db2.gz FZQRLJNZWCCTIA-UHFFFAOYSA-N -1 0 309.300 3.725 50 0 DHAARM O=[P@]([O-])(O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000004984835 563450684 /nfs/dbraw/zinc/45/06/84/563450684.db2.gz PGQVKIUJJMTASN-CYBMUJFWSA-N -1 0 316.215 3.818 50 0 DHAARM CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000035571292 563453317 /nfs/dbraw/zinc/45/33/17/563453317.db2.gz PXNRVRXPLIHZEN-UHFFFAOYSA-N -1 0 319.401 3.574 50 0 DHAARM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc([O-])c(Cl)c1 ZINC000097080076 563504930 /nfs/dbraw/zinc/50/49/30/563504930.db2.gz ZIKJCMKFZLGFTQ-UHFFFAOYSA-N -1 0 314.728 3.953 50 0 DHAARM COc1ccccc1-n1[n-]c(C)c(Cc2cccc(C)c2)c1=O ZINC000101265206 563556628 /nfs/dbraw/zinc/55/66/28/563556628.db2.gz AOQHUQVRZZIETF-UHFFFAOYSA-N -1 0 308.381 3.794 50 0 DHAARM Cc1ccc(Cn2c(=O)c3cc(F)ccc3[n-]c2=S)cc1 ZINC000000425288 563612820 /nfs/dbraw/zinc/61/28/20/563612820.db2.gz RAVIBCVVYZBFKR-UHFFFAOYSA-N -1 0 300.358 3.555 50 0 DHAARM O=C([O-])c1ccc(CSc2nccn2Cc2ccccc2)cc1 ZINC000000135741 563628357 /nfs/dbraw/zinc/62/83/57/563628357.db2.gz WYBXRRLOUWFKRI-UHFFFAOYSA-N -1 0 324.405 3.922 50 0 DHAARM O=C([O-])c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000000092373 563628697 /nfs/dbraw/zinc/62/86/97/563628697.db2.gz CNHXQUNCVDUQAK-UHFFFAOYSA-N -1 0 300.701 3.755 50 0 DHAARM CC(C)[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000013468976 563659887 /nfs/dbraw/zinc/65/98/87/563659887.db2.gz MEBBEGRYJNQLGN-INIZCTEOSA-N -1 0 321.392 3.674 50 0 DHAARM CCOc1cc(C(=O)[O-])ccc1OC(=O)c1cccc(Cl)c1 ZINC000216782033 563711274 /nfs/dbraw/zinc/71/12/74/563711274.db2.gz DVTLKSCCJXQHRT-UHFFFAOYSA-N -1 0 320.728 3.656 50 0 DHAARM O=C([O-])CCOc1cccc(/C=C2/CCc3ccccc3C2=O)c1 ZINC000096402480 563768905 /nfs/dbraw/zinc/76/89/05/563768905.db2.gz BYTQNONRLYWNFW-VBKFSLOCSA-N -1 0 322.360 3.753 50 0 DHAARM CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000003201843 563799018 /nfs/dbraw/zinc/79/90/18/563799018.db2.gz NGXMOYFGFNYMJV-KPZWWZAWSA-N -1 0 314.360 3.885 50 0 DHAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000049467054 563851092 /nfs/dbraw/zinc/85/10/92/563851092.db2.gz RCGRXQNGMBUCQT-MRXNPFEDSA-N -1 0 313.397 3.566 50 0 DHAARM C[C@@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2ccc(F)cc21 ZINC000000209368 563886874 /nfs/dbraw/zinc/88/68/74/563886874.db2.gz BRWSLDOWDJZBNC-PSLIRLAXSA-N -1 0 311.312 3.733 50 0 biogenic DHAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2F)c(C)c1 ZINC000007053331 563901815 /nfs/dbraw/zinc/90/18/15/563901815.db2.gz YROGLDRTQIBOCA-UHFFFAOYSA-N -1 0 311.353 3.691 50 0 DHAARM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000007056490 563901969 /nfs/dbraw/zinc/90/19/69/563901969.db2.gz QCOYAKLQMHGXCO-UHFFFAOYSA-N -1 0 307.390 3.924 50 0 DHAARM Cc1nsc2ncc(C(=O)c3cc(Cl)ccc3[O-])cc12 ZINC000010024860 563909255 /nfs/dbraw/zinc/90/92/55/563909255.db2.gz RBSYKCVWQBVSLO-UHFFFAOYSA-N -1 0 304.758 3.590 50 0 DHAARM CC(=NNc1cccc(C(=O)[O-])c1)c1cc(Cl)ccc1O ZINC000252475399 563915585 /nfs/dbraw/zinc/91/55/85/563915585.db2.gz ZTCQPBFINNKHDB-UHFFFAOYSA-N -1 0 304.733 3.580 50 0 DHAARM O=C([O-])C1(CC(=O)Nc2cccc(Cl)c2F)CCCCC1 ZINC000013254382 563929283 /nfs/dbraw/zinc/92/92/83/563929283.db2.gz HFOOUPLXBIARHI-UHFFFAOYSA-N -1 0 313.756 3.843 50 0 DHAARM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C(C)C)oc1C ZINC000262837622 563944121 /nfs/dbraw/zinc/94/41/21/563944121.db2.gz BXTTUEKLXDLEDX-UHFFFAOYSA-N -1 0 317.341 3.671 50 0 DHAARM Cc1sc(NC(=O)CCc2ccccc2)c(C(=O)[O-])c1C ZINC000002812257 568414230 /nfs/dbraw/zinc/41/42/30/568414230.db2.gz HAJHWVYBMYYPFT-UHFFFAOYSA-N -1 0 303.383 3.634 50 0 DHAARM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCc3ccccc3C2)c1 ZINC000581731145 974914803 /nfs/dbraw/zinc/91/48/03/974914803.db2.gz MDPHTWZUHMZEFS-CXAGYDPISA-N -1 0 323.392 3.618 50 0 DHAARM O=C([O-])CCC(=O)n1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000005062120 1024268924 /nfs/dbraw/zinc/26/89/24/1024268924.db2.gz KLFQWNMMRZSURD-ZHACJKMWSA-N -1 0 320.348 3.712 50 0 DHAARM CCOc1ccc(OCCCOc2ccccc2C(=O)[O-])cc1 ZINC000005673621 1034453420 /nfs/dbraw/zinc/45/34/20/1034453420.db2.gz FXMGOSDOHMMVCQ-UHFFFAOYSA-N -1 0 316.353 3.631 50 0 DHAARM COc1ccc(N(C(=O)c2ccccc2O)[C@H](C)C2CC2)cc1 ZINC000000189275 1036745971 /nfs/dbraw/zinc/74/59/71/1036745971.db2.gz KVRWQPLSDUXOHQ-CYBMUJFWSA-N -1 0 311.381 3.846 50 0 DHAARM O=C([O-])c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1 ZINC000096693786 185385645 /nfs/dbraw/zinc/38/56/45/185385645.db2.gz GMFHGJBOHZGEER-UHFFFAOYSA-N -1 0 306.325 3.662 50 0 DHAARM CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000079034356 185147851 /nfs/dbraw/zinc/14/78/51/185147851.db2.gz KEEUVLXBYIPQDV-UHFFFAOYSA-N -1 0 323.364 3.638 50 0 DHAARM O=C([O-])[C@H]1CCC[C@@H]1CC(=O)c1ccc(Br)cc1 ZINC000083328580 185222083 /nfs/dbraw/zinc/22/20/83/185222083.db2.gz MPWKHQPBFZKBHK-PWSUYJOCSA-N -1 0 311.175 3.523 50 0 DHAARM COc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1SC ZINC000169975206 197763373 /nfs/dbraw/zinc/76/33/73/197763373.db2.gz GSQWVFNPKGFZKG-GQCTYLIASA-N -1 0 307.396 3.742 50 0 DHAARM O=C([O-])c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000000078111 180685566 /nfs/dbraw/zinc/68/55/66/180685566.db2.gz CMYBPWJIHAYXGS-UHFFFAOYSA-N -1 0 301.367 3.577 50 0 DHAARM C[C@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)[O-] ZINC000000131661 180703644 /nfs/dbraw/zinc/70/36/44/180703644.db2.gz CRMPAZDONIQUMT-VIFPVBQESA-N -1 0 316.407 3.924 50 0 DHAARM Cc1ccc(SCC(=O)c2ccc(CC(=O)[O-])s2)cc1 ZINC000000149910 180709377 /nfs/dbraw/zinc/70/93/77/180709377.db2.gz ZMVCRIFYVTXPMQ-UHFFFAOYSA-N -1 0 306.408 3.659 50 0 DHAARM Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)[O-])c(C)c1 ZINC000000324150 180760221 /nfs/dbraw/zinc/76/02/21/180760221.db2.gz CLKQJWJXSRYJRU-UHFFFAOYSA-N -1 0 310.328 3.993 50 0 DHAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccccc1F ZINC000000444881 180793307 /nfs/dbraw/zinc/79/33/07/180793307.db2.gz UOYUFPKPEBPZSG-VQHVLOKHSA-N -1 0 302.301 3.511 50 0 DHAARM O=C([O-])c1cccc(COc2ccccc2Br)c1 ZINC000002578452 180937048 /nfs/dbraw/zinc/93/70/48/180937048.db2.gz OGTOSXWRKAZOKL-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM O=C([O-])c1ccccc1OCc1cccc(Br)c1 ZINC000003887687 181052938 /nfs/dbraw/zinc/05/29/38/181052938.db2.gz XXEHDADBNHDAIB-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226496 181086234 /nfs/dbraw/zinc/08/62/34/181086234.db2.gz FYHDAURALABWTH-UHFFFAOYSA-N -1 0 322.320 3.683 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000004542523 181122626 /nfs/dbraw/zinc/12/26/26/181122626.db2.gz VCYXOMIOBKENPQ-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000004653694 181132931 /nfs/dbraw/zinc/13/29/31/181132931.db2.gz UXXZYQYSBVFCEW-OAHLLOKOSA-N -1 0 317.772 3.594 50 0 DHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000004803915 181153680 /nfs/dbraw/zinc/15/36/80/181153680.db2.gz RWXGSIZUGMFQJI-KGLIPLIRSA-N -1 0 307.777 3.726 50 0 DHAARM CC(C)c1ccsc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236811456 202022214 /nfs/dbraw/zinc/02/22/14/202022214.db2.gz MWHASOLQQYZEJA-GFCCVEGCSA-N -1 0 309.431 3.589 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004990576 181185808 /nfs/dbraw/zinc/18/58/08/181185808.db2.gz SUEJGYILKDAFBF-NXEZZACHSA-N -1 0 316.184 3.823 50 0 DHAARM COc1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000005059900 181198303 /nfs/dbraw/zinc/19/83/03/181198303.db2.gz UMEVTJJIHUUBIN-UHFFFAOYSA-N -1 0 312.152 3.960 50 0 DHAARM CCCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000005532604 181254431 /nfs/dbraw/zinc/25/44/31/181254431.db2.gz RBDLKXJIZFHGMD-DLBZAZTESA-N -1 0 317.429 3.706 50 0 DHAARM CCc1cc2c(cc1[O-])occ(-c1nc3ccccc3n1C)c2=O ZINC000005686760 181272224 /nfs/dbraw/zinc/27/22/24/181272224.db2.gz RPPMBBAYGACGOV-UHFFFAOYSA-N -1 0 320.348 3.615 50 0 DHAARM CCc1cc2c(cc1[O-])occ(-c1nc3ccccc3[nH]1)c2=O ZINC000005686752 181272258 /nfs/dbraw/zinc/27/22/58/181272258.db2.gz IRXKCJVEHBGBHZ-UHFFFAOYSA-N -1 0 306.321 3.604 50 0 biogenic DHAARM CCc1cccc(CC)c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000005909006 181295245 /nfs/dbraw/zinc/29/52/45/181295245.db2.gz YCBDARFIOKMGMT-HUUCEWRRSA-N -1 0 303.402 3.641 50 0 DHAARM O=C([O-])c1cccnc1SCC(=O)c1ccc2ccccc2c1 ZINC000006345410 181333031 /nfs/dbraw/zinc/33/30/31/181333031.db2.gz IVLZFCSESPBVRZ-UHFFFAOYSA-N -1 0 323.373 3.908 50 0 DHAARM Cc1ccc(-c2csc3[n-]c(=S)n(C)c(=O)c23)cc1C ZINC000006506479 181347545 /nfs/dbraw/zinc/34/75/45/181347545.db2.gz UDKXJQPVAJAGSW-UHFFFAOYSA-N -1 0 302.424 3.941 50 0 DHAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccccc1Cl ZINC000006549687 181353197 /nfs/dbraw/zinc/35/31/97/181353197.db2.gz DSDKOFJYCPKXCH-UHFFFAOYSA-N -1 0 302.182 3.794 50 0 DHAARM O=c1c2c(nc3c(-c4cccc5ccccc54)c[n-]n31)CCCC2 ZINC000006557809 181355130 /nfs/dbraw/zinc/35/51/30/181355130.db2.gz ZKTDRRGDJNVXEF-UHFFFAOYSA-N -1 0 315.376 3.722 50 0 DHAARM O=C([O-])[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000006829722 181396274 /nfs/dbraw/zinc/39/62/74/181396274.db2.gz PCZDVVVVTDJPLP-ZDUSSCGKSA-N -1 0 312.350 3.655 50 0 DHAARM Cc1nc(-c2ncc(C(F)(F)F)cc2F)[n-]c(=S)c1F ZINC000261494738 203073129 /nfs/dbraw/zinc/07/31/29/203073129.db2.gz BQNPERBABSAKMI-UHFFFAOYSA-N -1 0 307.247 3.807 50 0 DHAARM Cc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C(=O)[O-] ZINC000012937307 181813641 /nfs/dbraw/zinc/81/36/41/181813641.db2.gz QIJNAFFFOOGYRF-LBPRGKRZSA-N -1 0 315.394 3.813 50 0 DHAARM CCc1[n-]n2c(nc(C)c(CC)c2=O)c1-c1ccc(Cl)cc1 ZINC000017879103 182086781 /nfs/dbraw/zinc/08/67/81/182086781.db2.gz ZCNIWKIVZPMTIZ-UHFFFAOYSA-N -1 0 315.804 3.776 50 0 DHAARM Cc1nc(Cc2c(Cl)cccc2Cl)[n-]c(=O)c1Cl ZINC000018180726 182097178 /nfs/dbraw/zinc/09/71/78/182097178.db2.gz BRTAKEDQDBCSCH-UHFFFAOYSA-N -1 0 303.576 3.629 50 0 DHAARM COc1cccc2c(Nc3ccc(C(=O)[O-])cc3)cc(C)nc12 ZINC000020463434 182221002 /nfs/dbraw/zinc/22/10/02/182221002.db2.gz CNFRTPSOHKRZON-UHFFFAOYSA-N -1 0 308.337 3.994 50 0 DHAARM CCc1cccc(N[C@H](c2cccc(C)c2)[P@@](=O)([O-])O)c1 ZINC000024769781 182390752 /nfs/dbraw/zinc/39/07/52/182390752.db2.gz XKCTUHVEGRJLCZ-INIZCTEOSA-N -1 0 305.314 3.846 50 0 DHAARM O=C([O-])C[C@@H]1CCc2c3cc(F)cc(Br)c3[nH]c21 ZINC000035259138 182765973 /nfs/dbraw/zinc/76/59/73/182765973.db2.gz UFDLKQSJWWUVOQ-LURJTMIESA-N -1 0 312.138 3.574 50 0 DHAARM Cc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000035529911 182779652 /nfs/dbraw/zinc/77/96/52/182779652.db2.gz KDTVUFBMQSHJGP-UHFFFAOYSA-N -1 0 324.380 3.546 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000039973907 183026091 /nfs/dbraw/zinc/02/60/91/183026091.db2.gz AYEPZXFJGXBKSV-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000044069004 183393198 /nfs/dbraw/zinc/39/31/98/183393198.db2.gz NGZGAVAHPCNQJR-BXKDBHETSA-N -1 0 313.781 3.627 50 0 DHAARM O=C([O-])c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1 ZINC000044672148 183431518 /nfs/dbraw/zinc/43/15/18/183431518.db2.gz XYVZCWIBFHZVES-UHFFFAOYSA-N -1 0 312.756 3.950 50 0 DHAARM CC(C)C[C@H](C)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809911 184289007 /nfs/dbraw/zinc/28/90/07/184289007.db2.gz XUCVUCASFWWXQU-JTQLQIEISA-N -1 0 319.430 3.505 50 0 DHAARM Cc1nc(=N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)s[n-]1 ZINC000408518477 257255372 /nfs/dbraw/zinc/25/53/72/257255372.db2.gz JWTVOUYDFAZDEJ-RXMQYKEDSA-N -1 0 322.743 3.509 50 0 DHAARM COC1CCC(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)CC1 ZINC000133808250 196337364 /nfs/dbraw/zinc/33/73/64/196337364.db2.gz XYQCNIFWMHCAQQ-UHFFFAOYSA-N -1 0 320.414 3.650 50 0 DHAARM CCO[C@@H](C)c1ccc(-c2nc(SC)ncc2C(=O)[O-])cc1 ZINC000534584190 334288973 /nfs/dbraw/zinc/28/89/73/334288973.db2.gz HKXKGVYZYJUWLB-JTQLQIEISA-N -1 0 318.398 3.661 50 0 DHAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016149019 563411521 /nfs/dbraw/zinc/41/15/21/563411521.db2.gz UWFDGLHDDHFRCK-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM Cc1cccc(Nc2cc(Cl)nc(SCC(=O)[O-])n2)c1C ZINC000000001963 563211154 /nfs/dbraw/zinc/21/11/54/563211154.db2.gz SZRPDCCEHVWOJX-UHFFFAOYSA-N -1 0 323.805 3.667 50 0 in-man DHAARM Cc1ccc(-c2csc3ncnc(NCCC(=O)[O-])c23)cc1 ZINC000000132535 563222108 /nfs/dbraw/zinc/22/21/08/563222108.db2.gz APQCJAMNRWDGGT-UHFFFAOYSA-N -1 0 313.382 3.553 50 0 DHAARM COc1ccc(-c2cc(C(=O)[O-])c3ccc(C)cc3n2)cc1OC ZINC000000160847 563225663 /nfs/dbraw/zinc/22/56/63/563225663.db2.gz WFWIRSOQMRVDET-UHFFFAOYSA-N -1 0 323.348 3.926 50 0 DHAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000000250151 563233399 /nfs/dbraw/zinc/23/33/99/563233399.db2.gz FEJAFLYSXGIPNW-SNVBAGLBSA-N -1 0 303.745 3.587 50 0 DHAARM Cc1cc(CC(=O)[O-])ccc1OCc1ccc(OC(C)C)cc1 ZINC000000392256 563249904 /nfs/dbraw/zinc/24/99/04/563249904.db2.gz VLRIQYXTSRBIBS-UHFFFAOYSA-N -1 0 314.381 3.988 50 0 DHAARM CC(=O)c1cnc([N-]c2nc(C)c3cc(C)c(C)cc3n2)nc1C ZINC000000539949 563265657 /nfs/dbraw/zinc/26/56/57/563265657.db2.gz GGOBEHBONSQGEV-UHFFFAOYSA-N -1 0 321.384 3.600 50 0 DHAARM O=C([O-])c1c2cc(Br)ccc2nc2c1CCCCC2 ZINC000000608458 563268521 /nfs/dbraw/zinc/26/85/21/563268521.db2.gz UDPIPXKZLURWKM-UHFFFAOYSA-N -1 0 320.186 3.964 50 0 DHAARM O=C([O-])c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 ZINC000000618926 563270422 /nfs/dbraw/zinc/27/04/22/563270422.db2.gz KTIBMSOLDOLGQJ-UHFFFAOYSA-N -1 0 304.758 3.952 50 0 DHAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(F)cc3F)n2)cc1 ZINC000000732374 563271834 /nfs/dbraw/zinc/27/18/34/563271834.db2.gz HOLVOWXBVUHQLZ-UHFFFAOYSA-N -1 0 314.291 3.824 50 0 DHAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000002389120 563303613 /nfs/dbraw/zinc/30/36/13/563303613.db2.gz YDSAGJMVVUBPOK-HNNXBMFYSA-N -1 0 315.369 3.880 50 0 DHAARM COc1cc(C(=O)[O-])ccc1OCc1c(F)cccc1Cl ZINC000011888482 563359790 /nfs/dbraw/zinc/35/97/90/563359790.db2.gz CLZAQDAEOKYWOY-UHFFFAOYSA-N -1 0 310.708 3.765 50 0 DHAARM C[C@H](Sc1ccccc1C(=O)[O-])C(=O)N(C)c1ccccc1 ZINC000012976520 563376013 /nfs/dbraw/zinc/37/60/13/563376013.db2.gz AOQDLKNMCLIZBV-LBPRGKRZSA-N -1 0 315.394 3.528 50 0 DHAARM CC[C@@](C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1F ZINC000014135753 563396161 /nfs/dbraw/zinc/39/61/61/563396161.db2.gz ORWVJTMTAXAABQ-CQSZACIVSA-N -1 0 301.745 3.699 50 0 DHAARM CCOC(=O)c1cccc([N-]c2nc(-c3ccccc3)no2)c1 ZINC000071928163 563411624 /nfs/dbraw/zinc/41/16/24/563411624.db2.gz WEHYMBREKOLYFU-UHFFFAOYSA-N -1 0 309.325 3.657 50 0 DHAARM C[C@@H]1Cc2cc(-c3cc(C(=O)[O-])c4ccccc4n3)ccc2O1 ZINC000031775906 563440292 /nfs/dbraw/zinc/44/02/92/563440292.db2.gz DUHXYVGXFLZVCF-LLVKDONJSA-N -1 0 305.333 3.923 50 0 DHAARM Cc1ccc(-c2cc(Nc3cccc(C(=O)[O-])c3)ncn2)cc1 ZINC000032920049 563444011 /nfs/dbraw/zinc/44/40/11/563444011.db2.gz WZJOFRRORQFSGU-UHFFFAOYSA-N -1 0 305.337 3.894 50 0 DHAARM Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)[O-])cc1 ZINC000035824094 563453845 /nfs/dbraw/zinc/45/38/45/563453845.db2.gz LLWOSCPRJRUVST-UHFFFAOYSA-N -1 0 315.350 3.564 50 0 in-vitro DHAARM O=C([O-])c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000036925279 563457176 /nfs/dbraw/zinc/45/71/76/563457176.db2.gz SIXMTRSELLHILQ-UHFFFAOYSA-N -1 0 300.701 3.755 50 0 DHAARM CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)[O-])c2)n1 ZINC000071873574 563501500 /nfs/dbraw/zinc/50/15/00/563501500.db2.gz PXBFAUCFXIHYNJ-UHFFFAOYSA-N -1 0 310.275 3.532 50 0 DHAARM O=C([O-])c1cc2nc(-c3ccccc3)[nH]c2c(Br)c1 ZINC000084751666 563519599 /nfs/dbraw/zinc/51/95/99/563519599.db2.gz KIIKLJQKFMQDCI-UHFFFAOYSA-N -1 0 317.142 3.691 50 0 DHAARM O=C([O-])[C@H](c1ccc(C2CCCC2)cc1)N1CCSCC1 ZINC000095375983 563529847 /nfs/dbraw/zinc/52/98/47/563529847.db2.gz JRCFHKHNHWLPEO-INIZCTEOSA-N -1 0 305.443 3.519 50 0 DHAARM COc1cc(C(=O)[O-])ccc1OCCOc1ccc(Cl)cc1 ZINC000011896622 563601175 /nfs/dbraw/zinc/60/11/75/563601175.db2.gz LJOPWXBOCGLZLL-UHFFFAOYSA-N -1 0 322.744 3.505 50 0 DHAARM O=S(=O)([N-]c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000003020594 563621639 /nfs/dbraw/zinc/62/16/39/563621639.db2.gz VRJTXSDUKXHDCA-UHFFFAOYSA-N -1 0 320.172 3.933 50 0 DHAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000000300722 563629373 /nfs/dbraw/zinc/62/93/73/563629373.db2.gz MCWYXNABLOVBSW-UHFFFAOYSA-N -1 0 319.279 3.645 50 0 DHAARM Cc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000013249845 563657521 /nfs/dbraw/zinc/65/75/21/563657521.db2.gz ZMCKYHNUSMAAAL-IBGZPJMESA-N -1 0 311.381 3.675 50 0 DHAARM Cc1ccc(F)cc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000013252649 563657925 /nfs/dbraw/zinc/65/79/25/563657925.db2.gz APYDXHAQAAPCRM-GOSISDBHSA-N -1 0 315.344 3.505 50 0 DHAARM CCc1ccc2c(c1)CCCN2C(=O)c1ccccc1C(=O)[O-] ZINC000000532126 563665901 /nfs/dbraw/zinc/66/59/01/563665901.db2.gz BMYJBBYLZXNRQB-UHFFFAOYSA-N -1 0 309.365 3.540 50 0 DHAARM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)ccc2F)c(C)c1 ZINC000008104869 563719222 /nfs/dbraw/zinc/71/92/22/563719222.db2.gz QUSQDVQJGIPBRG-UHFFFAOYSA-N -1 0 311.353 3.691 50 0 DHAARM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 ZINC000096405109 563768971 /nfs/dbraw/zinc/76/89/71/563768971.db2.gz UFSLJQCZRHNOAH-KMKOMSMNSA-N -1 0 316.740 3.700 50 0 DHAARM CC(C)(C)c1cc(=O)n2[n-]cc(-c3ccccc3Cl)c2n1 ZINC000012421723 563774457 /nfs/dbraw/zinc/77/44/57/563774457.db2.gz LDCUGIAWEYKQFC-UHFFFAOYSA-N -1 0 301.777 3.641 50 0 DHAARM O=C([O-])c1ccccc1Nc1ccnc(Nc2ccccc2)n1 ZINC000000959125 563785056 /nfs/dbraw/zinc/78/50/56/563785056.db2.gz POORMKCKTPLEDJ-UHFFFAOYSA-N -1 0 306.325 3.662 50 0 DHAARM O=c1c2[nH]c3ccccc3c2[n-]c(=S)n1Cc1ccccc1 ZINC000001254703 563809842 /nfs/dbraw/zinc/80/98/42/563809842.db2.gz ORLRFOZZSPJSHX-UHFFFAOYSA-N -1 0 307.378 3.589 50 0 DHAARM C[C@H](Sc1ccccc1C(=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000012759183 563824734 /nfs/dbraw/zinc/82/47/34/563824734.db2.gz SRFNPRHSWNNIOL-JTQLQIEISA-N -1 0 319.357 3.643 50 0 DHAARM C[C@@H](CCc1ccccc1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000012889179 563852808 /nfs/dbraw/zinc/85/28/08/563852808.db2.gz CSAQFZKGPJATMW-LBPRGKRZSA-N -1 0 303.789 3.797 50 0 DHAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000035426646 563867447 /nfs/dbraw/zinc/86/74/47/563867447.db2.gz ZTFINCYUTGHILA-UHFFFAOYSA-N -1 0 303.383 3.996 50 0 DHAARM O=C([O-])c1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1F ZINC000570295071 563877574 /nfs/dbraw/zinc/87/75/74/563877574.db2.gz YABCYWUBTJWNHP-LBPRGKRZSA-N -1 0 316.328 3.606 50 0 DHAARM CC(=NNc1ccccc1C(=O)[O-])c1cccc(OC(F)F)c1 ZINC000252506381 563886336 /nfs/dbraw/zinc/88/63/36/563886336.db2.gz ROVGQRCTEBCLOJ-UHFFFAOYSA-N -1 0 320.295 3.822 50 0 DHAARM C[C@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2ccc(F)cc21 ZINC000000209366 563886592 /nfs/dbraw/zinc/88/65/92/563886592.db2.gz BRWSLDOWDJZBNC-VFZGTOFNSA-N -1 0 311.312 3.733 50 0 biogenic DHAARM CCCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1C(=O)[O-] ZINC000064588895 563890366 /nfs/dbraw/zinc/89/03/66/563890366.db2.gz HJLGKEMUGQGLPQ-UHFFFAOYSA-N -1 0 318.417 3.750 50 0 DHAARM O=C([O-])c1c(-c2cc(Br)cs2)noc1C1CC1 ZINC000675058231 563910210 /nfs/dbraw/zinc/91/02/10/563910210.db2.gz YJKVZOCRPAXZCL-UHFFFAOYSA-N -1 0 314.160 3.741 50 0 DHAARM CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1O ZINC000007814159 563920013 /nfs/dbraw/zinc/92/00/13/563920013.db2.gz HSQCRJBBKVNMML-UHFFFAOYSA-N -1 0 309.724 3.836 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(SC(F)F)cc1 ZINC000196360003 563920251 /nfs/dbraw/zinc/92/02/51/563920251.db2.gz RLMBMDOYRXPSNB-UHFFFAOYSA-N -1 0 323.320 3.952 50 0 DHAARM Cc1n[nH]c(C)c1/C=C\c1cc(C(=O)[O-])c2ccc(F)cc2n1 ZINC000096179250 563935811 /nfs/dbraw/zinc/93/58/11/563935811.db2.gz REMIETUEQSHHSY-XQRVVYSFSA-N -1 0 311.316 3.582 50 0 DHAARM CC(C)c1nc(/C=C\C2=Cc3ccccc3OC2)ncc1C(=O)[O-] ZINC000096295442 563936113 /nfs/dbraw/zinc/93/61/13/563936113.db2.gz COJPRVAJAMRKLC-FPLPWBNLSA-N -1 0 322.364 3.787 50 0 DHAARM CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ncc(C)s1 ZINC000096415644 563936813 /nfs/dbraw/zinc/93/68/13/563936813.db2.gz JICFRHJGLQOIDS-LLVKDONJSA-N -1 0 310.806 3.692 50 0 DHAARM Cc1cc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2[nH]1 ZINC000031721883 563944761 /nfs/dbraw/zinc/94/47/61/563944761.db2.gz PXDMEQTXQCDNID-UHFFFAOYSA-N -1 0 322.336 3.555 50 0 DHAARM Cc1nc(SCc2ccccc2)c(C(F)(F)F)c(=O)[n-]1 ZINC000008606871 563949444 /nfs/dbraw/zinc/94/94/44/563949444.db2.gz IBULEBAFHVVDFS-UHFFFAOYSA-N -1 0 300.305 3.802 50 0 DHAARM COc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1SC ZINC000338612019 599907460 /nfs/dbraw/zinc/90/74/60/599907460.db2.gz GSQWVFNPKGFZKG-XQRVVYSFSA-N -1 0 307.396 3.742 50 0 DHAARM Cc1ccccc1C1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000237701053 600040560 /nfs/dbraw/zinc/04/05/60/600040560.db2.gz UHOFVTPMKOOQSQ-UHFFFAOYSA-N -1 0 323.392 3.713 50 0 DHAARM Cc1onc(-c2ccc(Br)c(Cl)c2)c1C(=O)[O-] ZINC000235958702 1014015646 /nfs/dbraw/zinc/01/56/46/1014015646.db2.gz MZBJOADMIXOSFP-UHFFFAOYSA-N -1 0 316.538 3.764 50 0 DHAARM Cc1cc(C)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000630163084 975138236 /nfs/dbraw/zinc/13/82/36/975138236.db2.gz SZEIHLWKTQZRDG-LLVKDONJSA-N -1 0 317.410 3.880 50 0 DHAARM CCN(C(=O)c1cccc(CC(=O)[O-])c1)c1cc(C)cc(C)c1 ZINC000653642189 975610942 /nfs/dbraw/zinc/61/09/42/975610942.db2.gz JILNHPFEIJSPBF-UHFFFAOYSA-N -1 0 311.381 3.597 50 0 DHAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1 ZINC000035142167 1015440600 /nfs/dbraw/zinc/44/06/00/1015440600.db2.gz XYBKFVXSGNRBEL-WMLDXEAASA-N -1 0 311.381 3.828 50 0 DHAARM O=C([O-])/C=C\c1ccc(-c2ccc(Br)cc2F)o1 ZINC000045009451 1032409349 /nfs/dbraw/zinc/40/93/49/1032409349.db2.gz IIBNHXPKQLRVQH-UTCJRWHESA-N -1 0 311.106 3.946 50 0 DHAARM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)[O-] ZINC000033871578 1021997925 /nfs/dbraw/zinc/99/79/25/1021997925.db2.gz AIELZGSDUQDZTQ-SREVYHEPSA-N -1 0 311.168 3.644 50 0 DHAARM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221915341 1026107804 /nfs/dbraw/zinc/10/78/04/1026107804.db2.gz YKGMDZKNLIYNCX-UQTJOTSZSA-N -1 0 309.365 3.602 50 0 DHAARM Cc1cc(=O)[n-]c(N=NC2=C(Cc3ccccc3)CCCC2)n1 ZINC000012555077 1029331476 /nfs/dbraw/zinc/33/14/76/1029331476.db2.gz DXIMYKQTORJPML-FRYWWTIQSA-N -1 0 308.385 3.504 50 0 DHAARM O=C([O-])c1ccc2nc(/C=C/c3cnc4ccccn34)sc2c1 ZINC000225458250 1039043128 /nfs/dbraw/zinc/04/31/28/1039043128.db2.gz OIZVIGFBVNDBSY-FNORWQNLSA-N -1 0 321.361 3.813 50 0 DHAARM O=C([O-])COc1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1 ZINC000096765483 185386712 /nfs/dbraw/zinc/38/67/12/185386712.db2.gz MZQNGUPVTQNSRA-YWEYNIOJSA-N -1 0 321.332 3.574 50 0 DHAARM O=C([O-])[C@H]1CCC[C@@H]1CC(=O)c1cccc(C(F)(F)F)c1 ZINC000083328561 185222272 /nfs/dbraw/zinc/22/22/72/185222272.db2.gz BCCWSJZUORSYGK-SKDRFNHKSA-N -1 0 300.276 3.779 50 0 DHAARM C[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1F ZINC000095425534 185361588 /nfs/dbraw/zinc/36/15/88/185361588.db2.gz WCUWVONBLQMHIS-LBPRGKRZSA-N -1 0 315.344 3.585 50 0 DHAARM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cccs1 ZINC000097115109 185412694 /nfs/dbraw/zinc/41/26/94/185412694.db2.gz LHSUZVLKPWENNY-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM O=C([O-])/C=C\C(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000032116749 190657658 /nfs/dbraw/zinc/65/76/58/190657658.db2.gz FAMYRYSORHZEHS-KTKRTIGZSA-N -1 0 301.729 3.586 50 0 DHAARM O=C([O-])c1ccc(Nc2nc(Nc3ccccc3)ncc2F)cc1 ZINC000170621800 197794262 /nfs/dbraw/zinc/79/42/62/197794262.db2.gz KHNKXNJAARGJRO-UHFFFAOYSA-N -1 0 324.315 3.801 50 0 DHAARM CC(C)c1nc(/C=C/c2ccc(O)c(Cl)c2)ncc1C(=O)[O-] ZINC000069927744 190839663 /nfs/dbraw/zinc/83/96/63/190839663.db2.gz JKEVNMKCSCSGBI-GQCTYLIASA-N -1 0 318.760 3.828 50 0 DHAARM Cc1ccc(Br)c2c(Cl)cc(C(=O)[O-])nc12 ZINC000071025682 190929773 /nfs/dbraw/zinc/92/97/73/190929773.db2.gz POQKYRXCAIGSTK-UHFFFAOYSA-N -1 0 300.539 3.657 50 0 DHAARM O=C([O-])C1(CC2CC2)CCN(c2nccc3ccccc32)CC1 ZINC000071756931 191024680 /nfs/dbraw/zinc/02/46/80/191024680.db2.gz QHSODQMMKHIKPW-UHFFFAOYSA-N -1 0 310.397 3.706 50 0 DHAARM Cc1ccc2c(Cl)cc(I)c([O-])c2n1 ZINC000071770640 191029827 /nfs/dbraw/zinc/02/98/27/191029827.db2.gz ZZSLFKMNUBUBPO-UHFFFAOYSA-N -1 0 319.529 3.507 50 0 DHAARM O=C([O-])c1ccccc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC000149637843 186051367 /nfs/dbraw/zinc/05/13/67/186051367.db2.gz VGLVQQAXSYLCLN-UHFFFAOYSA-N -1 0 300.701 3.755 50 0 DHAARM C[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)[O-])C1 ZINC000000087302 180688145 /nfs/dbraw/zinc/68/81/45/180688145.db2.gz ZMAOISIVSYRNLT-MRVPVSSYSA-N -1 0 321.423 3.885 50 0 DHAARM O=C([O-])c1cc(-c2cccs2)nn1-c1ccccc1Cl ZINC000000324107 180760167 /nfs/dbraw/zinc/76/01/67/180760167.db2.gz JTPLVOMSOSVCBS-UHFFFAOYSA-N -1 0 304.758 3.952 50 0 DHAARM Cc1cccc2c1N1C(=O)c3c(cccc3C(=O)[O-])[C@H]1C[C@@H]2C ZINC000000377041 180771052 /nfs/dbraw/zinc/77/10/52/180771052.db2.gz FWIJUQKNNLLVQY-XHDPSFHLSA-N -1 0 307.349 3.902 50 0 biogenic DHAARM O=C([O-])Cc1sc(NCc2ccco2)nc1-c1ccccc1 ZINC000003452845 181022122 /nfs/dbraw/zinc/02/21/22/181022122.db2.gz RTJZHRZDRSVKHX-UHFFFAOYSA-N -1 0 314.366 3.642 50 0 DHAARM COc1ccc(C2=Nc3ccccc3S[C@@H](C(=O)[O-])C2)cc1 ZINC000004137239 181078069 /nfs/dbraw/zinc/07/80/69/181078069.db2.gz ZIZZXZLKHIZAPS-MRXNPFEDSA-N -1 0 313.378 3.765 50 0 DHAARM CC(C)[C@@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC000004192747 181083989 /nfs/dbraw/zinc/08/39/89/181083989.db2.gz INLZWQCYKYWHOP-MHHRXVLKSA-N -1 0 321.461 3.599 50 0 DHAARM COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C/C(=O)[O-] ZINC000004200448 181084425 /nfs/dbraw/zinc/08/44/25/181084425.db2.gz KWMBECWNLDCJTA-VAWYXSNFSA-N -1 0 320.348 3.646 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)c1csc2c1CCCC2 ZINC000004263973 181089753 /nfs/dbraw/zinc/08/97/53/181089753.db2.gz WYDKNVDGVABXNQ-UHFFFAOYSA-N -1 0 301.367 3.577 50 0 DHAARM CC1(C)C=C2c3cccc(C(=O)[O-])c3C(=O)N2c2ccccc21 ZINC000004651152 181132186 /nfs/dbraw/zinc/13/21/86/181132186.db2.gz OOYRONJAEDEULW-UHFFFAOYSA-N -1 0 305.333 3.677 50 0 DHAARM Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1C ZINC000004649222 181132318 /nfs/dbraw/zinc/13/23/18/181132318.db2.gz XEVQENNECUUZLS-UHFFFAOYSA-N -1 0 303.745 3.907 50 0 DHAARM CCCCOc1ccc(C(C)(C)CC)cc1S(=O)(=O)[O-] ZINC000004831662 181158525 /nfs/dbraw/zinc/15/85/25/181158525.db2.gz VTLDBKBNBYHONK-UHFFFAOYSA-N -1 0 300.420 3.800 50 0 DHAARM Cc1nn(-c2ccccc2C(=O)[O-])c(C)c1Oc1ccccc1O ZINC000005050463 181197118 /nfs/dbraw/zinc/19/71/18/181197118.db2.gz FLKLOKAIEUWQIE-UHFFFAOYSA-N -1 0 324.336 3.685 50 0 DHAARM CC[C@@H](C)C1C(=O)N=C(SCc2ccc(Cl)cc2)N=C1[O-] ZINC000005072924 181201426 /nfs/dbraw/zinc/20/14/26/181201426.db2.gz OZHNJRDJRUFEES-SECBINFHSA-N -1 0 324.833 3.935 50 0 DHAARM CCCCC[C@@H](O)CCc1n[n-]c(=S)n1-c1ccccc1 ZINC000005694843 181273415 /nfs/dbraw/zinc/27/34/15/181273415.db2.gz IEPRCHPDOUOCOF-CQSZACIVSA-N -1 0 305.447 3.804 50 0 DHAARM CCc1cc2c(=O)c(Oc3ccc(F)cc3)coc2cc1[O-] ZINC000005967800 181301887 /nfs/dbraw/zinc/30/18/87/181301887.db2.gz ZRZVPBIAWIRLHR-UHFFFAOYSA-N -1 0 300.285 3.992 50 0 DHAARM CC[C@H](C)[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000006440744 181341341 /nfs/dbraw/zinc/34/13/41/181341341.db2.gz MNDHHXNRWCXHNR-CPCISQLKSA-N -1 0 319.188 3.614 50 0 DHAARM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000006880658 181399717 /nfs/dbraw/zinc/39/97/17/181399717.db2.gz IUNMEJTVZRKJBZ-HUUCEWRRSA-N -1 0 301.386 3.590 50 0 DHAARM Cc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1-c1ccccc1 ZINC000018009003 182089704 /nfs/dbraw/zinc/08/97/04/182089704.db2.gz IKYYKCNVMQCPCN-UHFFFAOYSA-N -1 0 301.349 3.665 50 0 DHAARM CCc1ccc2oc(-c3ccccc3)c/c(=N\CC(=O)[O-])c2c1 ZINC000019793150 182149784 /nfs/dbraw/zinc/14/97/84/182149784.db2.gz WQFOGDNVRCBFBR-CAPFRKAQSA-N -1 0 307.349 3.648 50 0 DHAARM Cc1sc2ncnc(SCC(=O)[O-])c2c1-c1ccccc1 ZINC000019955820 182170243 /nfs/dbraw/zinc/17/02/43/182170243.db2.gz SARSKPZNRWYVRR-UHFFFAOYSA-N -1 0 316.407 3.843 50 0 DHAARM CCCc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000100232448 193796835 /nfs/dbraw/zinc/79/68/35/193796835.db2.gz GZVYTVAPZRBRDQ-UHFFFAOYSA-N -1 0 321.302 3.661 50 0 DHAARM Cc1cc(Br)ccc1C(=O)CCCCCC(=O)[O-] ZINC000043214135 183344877 /nfs/dbraw/zinc/34/48/77/183344877.db2.gz NWSIAXUGLJCTRU-UHFFFAOYSA-N -1 0 313.191 3.975 50 0 DHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000065363965 184329018 /nfs/dbraw/zinc/32/90/18/184329018.db2.gz WYTKLHYNZCTDLJ-UHFFFAOYSA-N -1 0 323.389 3.759 50 0 DHAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000564649425 331994324 /nfs/dbraw/zinc/99/43/24/331994324.db2.gz QRGAEWUNXZTFLB-SCRDCRAPSA-N -1 0 317.385 3.547 50 0 DHAARM C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000013166048 333129903 /nfs/dbraw/zinc/12/99/03/333129903.db2.gz WOSDWKNTAINYLY-LLVKDONJSA-N -1 0 301.367 3.504 50 0 DHAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000000038967 563211508 /nfs/dbraw/zinc/21/15/08/563211508.db2.gz CNYPHPNVYMPVCA-UHFFFAOYSA-N -1 0 308.211 3.856 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1C ZINC000000114137 563219138 /nfs/dbraw/zinc/21/91/38/563219138.db2.gz OONCPFLPEMUYJY-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000238267 563232136 /nfs/dbraw/zinc/23/21/36/563232136.db2.gz AVQRPYDXZAOFPB-VHSXEESVSA-N -1 0 316.184 3.823 50 0 DHAARM O=C(c1ccccc1)c1ccc(O[C@H]2CCCCC2=O)cc1[O-] ZINC000000337267 563242126 /nfs/dbraw/zinc/24/21/26/563242126.db2.gz OVOFNOCNAIVENJ-SFHVURJKSA-N -1 0 310.349 3.514 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000000470109 563259982 /nfs/dbraw/zinc/25/99/82/563259982.db2.gz COUVWRZBVSZMLW-UHFFFAOYSA-N -1 0 317.819 3.601 50 0 DHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C ZINC000000472467 563261316 /nfs/dbraw/zinc/26/13/16/563261316.db2.gz LYRUIPOARYHCHQ-UHFFFAOYSA-N -1 0 319.426 3.730 50 0 DHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000000572684 563267952 /nfs/dbraw/zinc/26/79/52/563267952.db2.gz GWOFPAFFKKXXDB-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM O=C([O-])c1sccc1Oc1ccccc1NC(=O)C1CC1 ZINC000012959251 563375909 /nfs/dbraw/zinc/37/59/09/563375909.db2.gz FKMZZOVHDLZEKZ-UHFFFAOYSA-N -1 0 303.339 3.587 50 0 DHAARM O=C([O-])[C@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1 ZINC000013466631 563381910 /nfs/dbraw/zinc/38/19/10/563381910.db2.gz LBIBFRGXMQNACO-QGZVFWFLSA-N -1 0 323.392 3.762 50 0 DHAARM CC(C)n1cccc1C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000036856078 563457193 /nfs/dbraw/zinc/45/71/93/563457193.db2.gz UXQIZHLVVGMBSL-UHFFFAOYSA-N -1 0 306.749 3.673 50 0 DHAARM Cc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1C ZINC000000097663 563536185 /nfs/dbraw/zinc/53/61/85/563536185.db2.gz AOWNFIRTSCJTCQ-RDTXWAMCSA-N -1 0 303.402 3.769 50 0 DHAARM S=c1[n-]n(Cc2ccccc2)c(=NCc2ccccc2)s1 ZINC000100432902 563550397 /nfs/dbraw/zinc/55/03/97/563550397.db2.gz NNBYRVSNZJVKNF-BMRADRMJSA-N -1 0 313.451 3.756 50 0 DHAARM COc1ccc(-n2[n-]c(-c3ccccc3Cl)cc2=O)cc1 ZINC000101265198 563556768 /nfs/dbraw/zinc/55/67/68/563556768.db2.gz WPXHEIKMGWHFMU-UHFFFAOYSA-N -1 0 300.745 3.907 50 0 DHAARM COc1ccccc1-n1[n-]c(C)c(Cc2ccc(C)cc2)c1=O ZINC000101265201 563556820 /nfs/dbraw/zinc/55/68/20/563556820.db2.gz MIXARPJPIQRZHC-UHFFFAOYSA-N -1 0 308.381 3.794 50 0 DHAARM Cn1c(=O)c(Oc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000101854699 563558116 /nfs/dbraw/zinc/55/81/16/563558116.db2.gz DMNQSSKXIXKVFD-UHFFFAOYSA-N -1 0 301.729 3.690 50 0 DHAARM CCc1sc(NC(=O)CCCC(=O)[O-])nc1-c1ccccc1 ZINC000000373603 563591237 /nfs/dbraw/zinc/59/12/37/563591237.db2.gz HSOFWKUJLQBIMQ-UHFFFAOYSA-N -1 0 318.398 3.566 50 0 DHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000044253621 563598717 /nfs/dbraw/zinc/59/87/17/563598717.db2.gz MGEDMUPXHYCEKS-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM Cc1ccc(Cn2c(=O)c3cc(Cl)ccc3[n-]c2=S)cc1 ZINC000000425315 563613406 /nfs/dbraw/zinc/61/34/06/563613406.db2.gz SSPCXNZRYWWYQP-UHFFFAOYSA-N -1 0 316.813 3.695 50 0 DHAARM O=C([O-])c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000000041736 563628200 /nfs/dbraw/zinc/62/82/00/563628200.db2.gz CJIAGVMLVTXLAY-UHFFFAOYSA-N -1 0 321.785 3.769 50 0 DHAARM CC(=C([O-])c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000614880 563631835 /nfs/dbraw/zinc/63/18/35/563631835.db2.gz KBXWELOPOPKRNU-GFCCVEGCSA-N -1 0 322.813 3.694 50 0 DHAARM CC(=C([O-])c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000614879 563631857 /nfs/dbraw/zinc/63/18/57/563631857.db2.gz KBXWELOPOPKRNU-LBPRGKRZSA-N -1 0 322.813 3.694 50 0 DHAARM Cc1ccc(F)cc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000013252661 563657726 /nfs/dbraw/zinc/65/77/26/563657726.db2.gz GHVNUZPUBBZRGR-UHFFFAOYSA-N -1 0 307.365 3.888 50 0 DHAARM O=C([O-])Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000013438832 563659883 /nfs/dbraw/zinc/65/98/83/563659883.db2.gz AYJLCIPTODDMRD-UHFFFAOYSA-N -1 0 323.392 3.764 50 0 DHAARM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000012778510 563829837 /nfs/dbraw/zinc/82/98/37/563829837.db2.gz XNXFQRSHTYSFMO-CYBMUJFWSA-N -1 0 317.429 3.634 50 0 DHAARM CS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000089334751 563885014 /nfs/dbraw/zinc/88/50/14/563885014.db2.gz JJOXEIHRCVICTO-NXEZZACHSA-N -1 0 317.813 3.541 50 0 DHAARM C[C@@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2ccc(F)cc21 ZINC000000209371 563886531 /nfs/dbraw/zinc/88/65/31/563886531.db2.gz BRWSLDOWDJZBNC-RFAUZJTJSA-N -1 0 311.312 3.733 50 0 biogenic DHAARM CC(=O)n1cc(C=Nc2ccccc2C(=O)[O-])c2ccccc21 ZINC000252606047 563887756 /nfs/dbraw/zinc/88/77/56/563887756.db2.gz GOWJMWAJKREIFC-UHFFFAOYSA-N -1 0 306.321 3.750 50 0 DHAARM Cn1c2ccccc2c(N=Nc2nnn[n-]2)c1-c1ccccc1 ZINC000252628426 563887783 /nfs/dbraw/zinc/88/77/83/563887783.db2.gz SQCPAWJURPUEEH-UHFFFAOYSA-N -1 0 303.329 3.774 50 0 DHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(O)cc1 ZINC000252474444 563915663 /nfs/dbraw/zinc/91/56/63/563915663.db2.gz DWFWIWVSUJUWCN-UHFFFAOYSA-N -1 0 304.733 3.580 50 0 DHAARM O=C([O-])c1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1F ZINC000579259636 563917215 /nfs/dbraw/zinc/91/72/15/563917215.db2.gz YXSOIECNLFYPPU-GFCCVEGCSA-N -1 0 316.328 3.606 50 0 DHAARM Cc1cc(C)c(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000002718708 563940452 /nfs/dbraw/zinc/94/04/52/563940452.db2.gz DMHKQKRXPRCDKB-UHFFFAOYSA-N -1 0 320.396 3.837 50 0 DHAARM O=c1c(-c2ccccc2)c[n-]n1-c1cccc(C(F)(F)F)c1 ZINC000003133797 563942243 /nfs/dbraw/zinc/94/22/43/563942243.db2.gz FBTJYTULYPXLMT-UHFFFAOYSA-N -1 0 304.271 3.851 50 0 DHAARM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)c1cn[nH]n1 ZINC000069518980 563953258 /nfs/dbraw/zinc/95/32/58/563953258.db2.gz IJXIODQJKWSSGQ-ZDUSSCGKSA-N -1 0 322.368 3.505 50 0 DHAARM Cc1nc2c3cc(Cl)ccc3oc2c(SCC(=O)[O-])n1 ZINC000002363732 1018963052 /nfs/dbraw/zinc/96/30/52/1018963052.db2.gz MAZGNTKFOKBBDF-UHFFFAOYSA-N -1 0 308.746 3.515 50 0 DHAARM O=C([O-])c1ccnc(/C=C/c2ccc(Br)cc2)c1 ZINC000170618824 1019638364 /nfs/dbraw/zinc/63/83/64/1019638364.db2.gz VWSQTUNIKPIDLQ-ZZXKWVIFSA-N -1 0 304.143 3.713 50 0 DHAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c(C)c1Oc1ccccc1O ZINC000003177570 1020116547 /nfs/dbraw/zinc/11/65/47/1020116547.db2.gz LIRIDDGCXRDXDO-UHFFFAOYSA-N -1 0 324.336 3.685 50 0 DHAARM Cc1nc(-c2cc(F)cc(C(F)(F)F)c2)c(Cl)c(=O)[n-]1 ZINC000216034743 1024527575 /nfs/dbraw/zinc/52/75/75/1024527575.db2.gz GGUDYKSDACIMCZ-UHFFFAOYSA-N -1 0 306.646 3.557 50 0 DHAARM CC(C)(C)c1cc(=O)n2[n-]cc(-c3ccc(Cl)cc3)c2n1 ZINC000005789574 1025572391 /nfs/dbraw/zinc/57/23/91/1025572391.db2.gz DHVFHUKADBPXME-UHFFFAOYSA-N -1 0 301.777 3.641 50 0 DHAARM COc1ccccc1C(C)=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000254623304 1037950758 /nfs/dbraw/zinc/95/07/58/1037950758.db2.gz KAEBKUXULYCHRL-UHFFFAOYSA-N -1 0 318.760 3.883 50 0 DHAARM Cc1ccsc1-c1nccn1Cc1ccc(C(=O)[O-])s1 ZINC000071749001 191021358 /nfs/dbraw/zinc/02/13/58/191021358.db2.gz HMKXYVZAVYMCGT-UHFFFAOYSA-N -1 0 304.396 3.728 50 0 DHAARM Cc1ccc(C)c(NC(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)c1 ZINC000000048852 180677503 /nfs/dbraw/zinc/67/75/03/180677503.db2.gz GUZKZSJIGLZHCM-SCLBCKFNSA-N -1 0 303.402 3.769 50 0 DHAARM COc1ccccc1-n1nc(-c2ccc(C)cc2)cc1C(=O)[O-] ZINC000000732380 180832083 /nfs/dbraw/zinc/83/20/83/180832083.db2.gz DGFFPYAXPYZIGP-UHFFFAOYSA-N -1 0 308.337 3.555 50 0 DHAARM CCOC(=O)C(CC(=O)[O-])=C(c1ccccc1)c1ccccc1 ZINC000001747130 180894122 /nfs/dbraw/zinc/89/41/22/180894122.db2.gz DLPKPLGMFNWETI-UHFFFAOYSA-N -1 0 310.349 3.526 50 0 DHAARM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)[O-] ZINC000002650112 180943929 /nfs/dbraw/zinc/94/39/29/180943929.db2.gz AIELZGSDUQDZTQ-VOTSOKGWSA-N -1 0 311.168 3.644 50 0 DHAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000002735703 180950366 /nfs/dbraw/zinc/95/03/66/180950366.db2.gz AVSMEKDXYADBPI-UHFFFAOYSA-N -1 0 324.789 3.575 50 0 DHAARM COc1ccc([C@@H](C)n2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000002790938 180958158 /nfs/dbraw/zinc/95/81/58/180958158.db2.gz JPAFZNBWVKXGHN-LLVKDONJSA-N -1 0 312.394 3.677 50 0 DHAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc2ccccc21 ZINC000003290045 181001007 /nfs/dbraw/zinc/00/10/07/181001007.db2.gz FARAKKYGWGWSNL-UHFFFAOYSA-N -1 0 305.333 3.719 50 0 DHAARM Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[O-])cc1C ZINC000003346475 181009394 /nfs/dbraw/zinc/00/93/94/181009394.db2.gz RWSJENDVBDXIOU-UHFFFAOYSA-N -1 0 306.365 3.913 50 0 DHAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000003348374 181009816 /nfs/dbraw/zinc/00/98/16/181009816.db2.gz PIBQQPVORCDPDU-UHFFFAOYSA-N -1 0 305.399 3.585 50 0 DHAARM COc1ccc(C2=Nc3ccccc3S[C@H](C(=O)[O-])C2)cc1 ZINC000004137238 181078120 /nfs/dbraw/zinc/07/81/20/181078120.db2.gz ZIZZXZLKHIZAPS-INIZCTEOSA-N -1 0 313.378 3.765 50 0 DHAARM Cc1c(Cl)cc(Br)c([O-])c1Br ZINC000004592670 181127959 /nfs/dbraw/zinc/12/79/59/181127959.db2.gz AFDYEFBVFSAVNQ-UHFFFAOYSA-N -1 0 300.377 3.879 50 0 DHAARM COC1CCC(N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000073729380 191347828 /nfs/dbraw/zinc/34/78/28/191347828.db2.gz AUAPFKTZOWLDNZ-UHFFFAOYSA-N -1 0 320.414 3.520 50 0 DHAARM C[C@@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1F ZINC000237319597 202229359 /nfs/dbraw/zinc/22/93/59/202229359.db2.gz KQHGMJCTJRMUQB-KBPBESRZSA-N -1 0 321.392 3.565 50 0 DHAARM Cc1oc2c(C)c([O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000005955541 181300590 /nfs/dbraw/zinc/30/05/90/181300590.db2.gz INFPCDUSXYSBCJ-UHFFFAOYSA-N -1 0 324.332 3.554 50 0 biogenic DHAARM COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1Br ZINC000006030352 181306751 /nfs/dbraw/zinc/30/67/51/181306751.db2.gz JZRWXNBIQCMXSU-QMMMGPOBSA-N -1 0 309.159 3.799 50 0 DHAARM O=C([O-])Cc1sc(NCc2ccco2)nc1-c1cccs1 ZINC000006085524 181311433 /nfs/dbraw/zinc/31/14/33/181311433.db2.gz PBFFHYDTTPXBRT-UHFFFAOYSA-N -1 0 320.395 3.704 50 0 DHAARM Cc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1ccc(Cl)cc1 ZINC000006556437 181354430 /nfs/dbraw/zinc/35/44/30/181354430.db2.gz UQCSYEMAYJXJNE-UHFFFAOYSA-N -1 0 313.788 3.530 50 0 DHAARM Cc1ccc(F)cc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000006698207 181371520 /nfs/dbraw/zinc/37/15/20/181371520.db2.gz VFNLBAQNDSQIRW-ZIAGYGMSSA-N -1 0 305.349 3.520 50 0 DHAARM Cc1sc(-c2ncc(C(F)(F)F)cc2Cl)nc1C(=O)[O-] ZINC000261494828 203073626 /nfs/dbraw/zinc/07/36/26/203073626.db2.gz KJBFEPGLDWEBED-UHFFFAOYSA-N -1 0 322.695 3.884 50 0 DHAARM O=C([O-])[C@@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000011801494 181706896 /nfs/dbraw/zinc/70/68/96/181706896.db2.gz JOQPWSHPJXCJDX-ZDUSSCGKSA-N -1 0 307.143 3.654 50 0 DHAARM O=c1cc([O-])c2sc3nc4c(c(C(F)F)c3c2[nH]1)CCCC4 ZINC000012428270 181761217 /nfs/dbraw/zinc/76/12/17/181761217.db2.gz HSSDRRGTFQCLSJ-UHFFFAOYSA-N -1 0 322.336 3.660 50 0 DHAARM Cc1nc(Nc2ccccc2Br)sc1C(=O)[O-] ZINC000020156535 182193318 /nfs/dbraw/zinc/19/33/18/182193318.db2.gz HKBDBMLKQIYOOT-UHFFFAOYSA-N -1 0 313.176 3.656 50 0 DHAARM O=C([O-])Cc1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000020457666 182220316 /nfs/dbraw/zinc/22/03/16/182220316.db2.gz CEATUHDHXLNPMK-UHFFFAOYSA-N -1 0 322.723 3.750 50 0 DHAARM O=C([O-])c1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000022119735 182309289 /nfs/dbraw/zinc/30/92/89/182309289.db2.gz OYHPJHVGYLBFNM-UHFFFAOYSA-N -1 0 300.701 3.755 50 0 DHAARM CC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000024150786 182375645 /nfs/dbraw/zinc/37/56/45/182375645.db2.gz CGOYUVMDGHSVMH-UHFFFAOYSA-N -1 0 317.385 3.643 50 0 DHAARM COc1ccccc1Oc1ccc(-c2cccc(C(=O)[O-])c2)nn1 ZINC000032918472 182680000 /nfs/dbraw/zinc/68/00/00/182680000.db2.gz FWLCZWUASQVEON-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM O=C([O-])c1ccc2[nH]c(-c3ccccc3Br)nc2c1 ZINC000037400841 182887168 /nfs/dbraw/zinc/88/71/68/182887168.db2.gz VDQXOCQBIBFAIF-UHFFFAOYSA-N -1 0 317.142 3.691 50 0 DHAARM O=C([O-])[C@@H]1CC[C@H](CC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000043879095 183388631 /nfs/dbraw/zinc/38/86/31/183388631.db2.gz RJAQVGQGSOPVMH-GXSJLCMTSA-N -1 0 300.276 3.779 50 0 DHAARM O=C([O-])c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1 ZINC000055174996 183968865 /nfs/dbraw/zinc/96/88/65/183968865.db2.gz RZVGCCLWWWZBQN-UHFFFAOYSA-N -1 0 309.321 3.816 50 0 DHAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031099 184308845 /nfs/dbraw/zinc/30/88/45/184308845.db2.gz VXTQRGJTTJMWLI-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM CCN(Cc1ncccc1C(=O)[O-])Cc1c(F)cccc1Cl ZINC000065373722 184330407 /nfs/dbraw/zinc/33/04/07/184330407.db2.gz ZDEJEOJOAPZSIB-UHFFFAOYSA-N -1 0 322.767 3.594 50 0 DHAARM O=C(c1cnc2c(cnn2C2CCCCC2)c1)c1ccccc1[O-] ZINC000521402308 257234583 /nfs/dbraw/zinc/23/45/83/257234583.db2.gz WOUOIHIAIOQRLK-UHFFFAOYSA-N -1 0 321.380 3.873 50 0 DHAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000299752242 229396595 /nfs/dbraw/zinc/39/65/95/229396595.db2.gz SZFKXNATESSMOD-SFHVURJKSA-N -1 0 323.392 3.681 50 0 DHAARM CCO[C@H](C)c1ccc(-c2nc(SC)ncc2C(=O)[O-])cc1 ZINC000534584191 334289002 /nfs/dbraw/zinc/28/90/02/334289002.db2.gz HKXKGVYZYJUWLB-SNVBAGLBSA-N -1 0 318.398 3.661 50 0 DHAARM CCCc1cc(=O)[nH]c(C(=Cc2cc(C(=O)[O-])cs2)CC)n1 ZINC000435338944 338237455 /nfs/dbraw/zinc/23/74/55/338237455.db2.gz LWEVUPBZFGMPNU-POHAHGRESA-N -1 0 318.398 3.845 50 0 DHAARM O=C([O-])c1cccc(-c2cccc(C(=O)C3CCOCC3)c2)c1 ZINC000568395725 341669873 /nfs/dbraw/zinc/66/98/73/341669873.db2.gz VKIZPWWGXUMMNF-UHFFFAOYSA-N -1 0 310.349 3.661 50 0 DHAARM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000262697633 526329818 /nfs/dbraw/zinc/32/98/18/526329818.db2.gz GVURHEDINJPXHA-RBSFLKMASA-N -1 0 319.401 3.614 50 0 DHAARM Cc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c(C)c1 ZINC000008746194 563644162 /nfs/dbraw/zinc/64/41/62/563644162.db2.gz MRIXIBYLUVQKLL-UHFFFAOYSA-N -1 0 303.402 3.976 50 0 DHAARM O=C([O-])CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000196809 563229595 /nfs/dbraw/zinc/22/95/95/563229595.db2.gz CIAMUHJMDCFJFT-UHFFFAOYSA-N -1 0 309.671 3.552 50 0 DHAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 ZINC000000250154 563233600 /nfs/dbraw/zinc/23/36/00/563233600.db2.gz FEJAFLYSXGIPNW-JTQLQIEISA-N -1 0 303.745 3.587 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000000294158 563237432 /nfs/dbraw/zinc/23/74/32/563237432.db2.gz YWMOHGQQVHRBJF-IUCAKERBSA-N -1 0 316.184 3.823 50 0 DHAARM Cc1c(Cl)cc(NC(=O)c2cccc(N)c2)c([O-])c1Cl ZINC000000396611 563250561 /nfs/dbraw/zinc/25/05/61/563250561.db2.gz XNBJMXDBXKYSPK-UHFFFAOYSA-N -1 0 311.168 3.842 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000461745 563259184 /nfs/dbraw/zinc/25/91/84/563259184.db2.gz VSMUYYFJVFSVCA-NEPJUHHUSA-N -1 0 316.184 3.823 50 0 in-vitro DHAARM O=C([O-])CCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002242953 563302170 /nfs/dbraw/zinc/30/21/70/563302170.db2.gz IKUWPJFEZLVXPR-UHFFFAOYSA-N -1 0 314.181 3.772 50 0 DHAARM O=C([O-])C[C@H](c1cccc(Cl)c1)N1Cc2ccccc2C1=O ZINC000002597315 563310656 /nfs/dbraw/zinc/31/06/56/563310656.db2.gz FBGUADRZTRRUEW-OAHLLOKOSA-N -1 0 315.756 3.512 50 0 DHAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)[O-] ZINC000002650098 563310770 /nfs/dbraw/zinc/31/07/70/563310770.db2.gz BELUEBJZBIVMOB-UHFFFAOYSA-N -1 0 319.575 3.898 50 0 DHAARM Cc1ccc(N2C(=O)CC[C@H](C(=O)[O-])[C@H]2c2cccs2)cc1 ZINC000003888167 563326414 /nfs/dbraw/zinc/32/64/14/563326414.db2.gz KIQDHOPFZJKODK-BBRMVZONSA-N -1 0 315.394 3.625 50 0 DHAARM Cc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1C ZINC000004902184 563328234 /nfs/dbraw/zinc/32/82/34/563328234.db2.gz BLAIRZLICJJZPO-JKSUJKDBSA-N -1 0 301.386 3.689 50 0 DHAARM CCOc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000006948989 563335362 /nfs/dbraw/zinc/33/53/62/563335362.db2.gz ATRLBYTZTOJYSY-UHFFFAOYSA-N -1 0 319.744 3.689 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000001640134 563335977 /nfs/dbraw/zinc/33/59/77/563335977.db2.gz HPVQBLAIZMVNQY-ZJUUUORDSA-N -1 0 315.291 3.535 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1nsc2ccccc21 ZINC000008610351 563347937 /nfs/dbraw/zinc/34/79/37/563347937.db2.gz LDEKXTICGMAENE-UHFFFAOYSA-N -1 0 312.350 3.555 50 0 DHAARM COc1ccc(C23C[C@H]4C[C@H](CC(C(=O)[O-])(C4)C2)C3)cc1OC ZINC000008816505 563350456 /nfs/dbraw/zinc/35/04/56/563350456.db2.gz JWSIHEWTCURFRH-NFAYLAGKSA-N -1 0 316.397 3.626 50 0 DHAARM CCC(CC)N1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000012336303 563366368 /nfs/dbraw/zinc/36/63/68/563366368.db2.gz GSDOSNHMOWITKP-HOCLYGCPSA-N -1 0 323.820 3.893 50 0 DHAARM Cc1ccc(CN2CCCN(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000015414059 563409535 /nfs/dbraw/zinc/40/95/35/563409535.db2.gz FYDKBKJEKOAQIU-UHFFFAOYSA-N -1 0 324.380 3.526 50 0 DHAARM CCC(CC)(CC(=O)N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000010820154 563418584 /nfs/dbraw/zinc/41/85/84/563418584.db2.gz MDMGMVPNLJJFFT-LBPRGKRZSA-N -1 0 317.385 3.891 50 0 DHAARM Cc1ccc(-c2ccnc(-c3ccc(C(=O)[O-])s3)n2)c(C)n1 ZINC000071575862 563453864 /nfs/dbraw/zinc/45/38/64/563453864.db2.gz IYNSWVOVIDOMKP-UHFFFAOYSA-N -1 0 311.366 3.582 50 0 DHAARM Cc1nc(-c2cc(Br)cs2)sc1C(=O)[O-] ZINC000036379719 563454743 /nfs/dbraw/zinc/45/47/43/563454743.db2.gz IIAUFLOIXNBEPZ-UHFFFAOYSA-N -1 0 304.190 3.641 50 0 DHAARM CC(C)(C)OC(=O)NC[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000044831606 563462183 /nfs/dbraw/zinc/46/21/83/563462183.db2.gz NGTMPMYOERDTFV-OAHLLOKOSA-N -1 0 315.369 3.533 50 0 DHAARM CCOc1ccc(-n2ccnc2-c2ccccc2C(=O)[O-])cc1 ZINC000067946532 563494307 /nfs/dbraw/zinc/49/43/07/563494307.db2.gz OUPLBTGZOBMPHK-UHFFFAOYSA-N -1 0 308.337 3.636 50 0 DHAARM O=C([O-])C1(Cc2ccccc2-c2cccs2)CCOCC1 ZINC000072343413 563503240 /nfs/dbraw/zinc/50/32/40/563503240.db2.gz MNZYLPCUYZIDFQ-UHFFFAOYSA-N -1 0 302.395 3.839 50 0 DHAARM CCc1c(C)nc2c(OC)cccc2c1SCCC(=O)[O-] ZINC000000036345 563507342 /nfs/dbraw/zinc/50/73/42/563507342.db2.gz TUXVQEJLKXPVAA-UHFFFAOYSA-N -1 0 305.399 3.681 50 0 DHAARM CC(C)(C)c1ccc(OC(C)(C)C(=O)[O-])c(Br)c1 ZINC000011993215 563565352 /nfs/dbraw/zinc/56/53/52/563565352.db2.gz MEQBSALHASEOHZ-UHFFFAOYSA-N -1 0 315.207 3.989 50 0 DHAARM COc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)c(OC)c1 ZINC000000181833 563576148 /nfs/dbraw/zinc/57/61/48/563576148.db2.gz MWOPONYUKVBDML-UHFFFAOYSA-N -1 0 309.321 3.617 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000233239 563580070 /nfs/dbraw/zinc/58/00/70/563580070.db2.gz RPUFBGAIJXSOAN-NXEZZACHSA-N -1 0 316.184 3.823 50 0 DHAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000000249092 563581662 /nfs/dbraw/zinc/58/16/62/563581662.db2.gz GALFHKTZOYSLSQ-ZDUSSCGKSA-N -1 0 317.772 3.612 50 0 DHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000044253055 563599041 /nfs/dbraw/zinc/59/90/41/563599041.db2.gz CJJVTHYYLSMCGV-UHFFFAOYSA-N -1 0 313.781 3.897 50 0 DHAARM COc1ccc(/C=C/C(=O)[O-])cc1OCc1ccc(F)cc1 ZINC000011864681 563600477 /nfs/dbraw/zinc/60/04/77/563600477.db2.gz SPFOCVDPIANSQT-WEVVVXLNSA-N -1 0 302.301 3.511 50 0 DHAARM C[C@@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2Cc2ccccc21 ZINC000000209309 563611305 /nfs/dbraw/zinc/61/13/05/563611305.db2.gz KGUJICJKGOBPND-BZNIZROVSA-N -1 0 307.349 3.589 50 0 DHAARM Cc1ccc(/C(=C/C(=O)Nc2cccc(C)c2C)C(=O)[O-])cc1 ZINC000001030766 563619347 /nfs/dbraw/zinc/61/93/47/563619347.db2.gz MUKWPYMMBLBGEK-WJDWOHSUSA-N -1 0 309.365 3.719 50 0 DHAARM Cc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000013249859 563657701 /nfs/dbraw/zinc/65/77/01/563657701.db2.gz DFSMDFYPFAGFTK-IBGZPJMESA-N -1 0 311.381 3.675 50 0 DHAARM Cc1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000013249843 563657892 /nfs/dbraw/zinc/65/78/92/563657892.db2.gz ZMCKYHNUSMAAAL-LJQANCHMSA-N -1 0 311.381 3.675 50 0 DHAARM Cc1cc(NCCc2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000000509351 563658609 /nfs/dbraw/zinc/65/86/09/563658609.db2.gz SWJHBKIOVXFVMR-UHFFFAOYSA-N -1 0 305.381 3.812 50 0 DHAARM Fc1cc(Br)c(Br)c(F)c1[S-] ZINC000263622859 563794554 /nfs/dbraw/zinc/79/45/54/563794554.db2.gz BMGJARRRTNBHSR-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183757503 563796304 /nfs/dbraw/zinc/79/63/04/563796304.db2.gz CCQCBDMTJPVGRW-JTQLQIEISA-N -1 0 313.309 3.557 50 0 DHAARM Cn1c2ccccc2nc1-c1cc(C(=O)c2ccccc2[O-])c[nH]1 ZINC000012559266 563801305 /nfs/dbraw/zinc/80/13/05/563801305.db2.gz QVLRSOLYEJWEHS-UHFFFAOYSA-N -1 0 317.348 3.505 50 0 DHAARM CCCc1cc2c(cc1[O-])occ(-c1nc(C)cs1)c2=O ZINC000000407908 563886798 /nfs/dbraw/zinc/88/67/98/563886798.db2.gz KUBDUANGTFMYNQ-UHFFFAOYSA-N -1 0 301.367 3.883 50 0 biogenic DHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000007418187 563906033 /nfs/dbraw/zinc/90/60/33/563906033.db2.gz FLOUPWVEFAPMON-UHFFFAOYSA-N -1 0 319.426 3.928 50 0 DHAARM O=C(c1cnc2onc(-c3ccccc3)c2c1)c1ccccc1[O-] ZINC000010025214 563909304 /nfs/dbraw/zinc/90/93/04/563909304.db2.gz IPRCZGGPVOLXMU-UHFFFAOYSA-N -1 0 316.316 3.826 50 0 DHAARM O=S(=O)([N-]c1ccccc1-c1ccncc1)c1cccs1 ZINC000089821266 563911423 /nfs/dbraw/zinc/91/14/23/563911423.db2.gz SLJJYNKNHYZDII-UHFFFAOYSA-N -1 0 316.407 3.611 50 0 DHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000238018853 563914002 /nfs/dbraw/zinc/91/40/02/563914002.db2.gz PXBXUEJZVOMLTL-GFCCVEGCSA-N -1 0 317.410 3.618 50 0 DHAARM CN(C(=O)c1ccc2ccccc2c1)c1ccc(C(=O)[O-])cc1 ZINC000019928798 563923736 /nfs/dbraw/zinc/92/37/36/563923736.db2.gz DBKDCNXAJXXQAX-UHFFFAOYSA-N -1 0 305.333 3.815 50 0 DHAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1 ZINC000002637514 563939917 /nfs/dbraw/zinc/93/99/17/563939917.db2.gz PZKFRMFBWJIFIT-UHFFFAOYSA-N -1 0 319.426 3.757 50 0 DHAARM O=c1c2ccccc2[n-]c(=S)n1CCc1c[nH]c2ccccc12 ZINC000002969811 563941396 /nfs/dbraw/zinc/94/13/96/563941396.db2.gz VOLRKHWQZMWRAF-UHFFFAOYSA-N -1 0 321.405 3.783 50 0 DHAARM COCCC1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCCC1 ZINC000163594894 563944246 /nfs/dbraw/zinc/94/42/46/563944246.db2.gz JXWCSAKKMHZESC-UHFFFAOYSA-N -1 0 320.414 3.652 50 0 DHAARM O=C([O-])c1cc2c(-c3cccs3)[nH]n(-c3ccccc3)c-2n1 ZINC000032004947 563945110 /nfs/dbraw/zinc/94/51/10/563945110.db2.gz SNGFLOUUUXUTBU-UHFFFAOYSA-N -1 0 309.350 3.780 50 0 DHAARM O=C([O-])C1(CC(=O)Nc2c(F)cccc2F)CCCCCC1 ZINC000008922363 563951576 /nfs/dbraw/zinc/95/15/76/563951576.db2.gz RQIYMSONIAVFGT-UHFFFAOYSA-N -1 0 311.328 3.719 50 0 DHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1Cc1ccccc1Cl ZINC000008990989 563951824 /nfs/dbraw/zinc/95/18/24/563951824.db2.gz UQCUMCVYGUJQOQ-UHFFFAOYSA-N -1 0 316.763 3.857 50 0 DHAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1-c1ccc(F)cc1F ZINC000025762098 568412692 /nfs/dbraw/zinc/41/26/92/568412692.db2.gz ISEZTRFTBJCPNN-UHFFFAOYSA-N -1 0 318.254 3.655 50 0 DHAARM CC(C)c1ccc2nc(-c3cnn(C(C)(C)C)c3)[nH]c(=O)c2c1 ZINC000136531254 568413694 /nfs/dbraw/zinc/41/36/94/568413694.db2.gz CTLARDCFZWOPIA-UHFFFAOYSA-N -1 0 310.401 3.665 50 0 DHAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(Cl)c2ccccc21 ZINC000262829609 961895556 /nfs/dbraw/zinc/89/55/56/961895556.db2.gz CBYYWWWEDBMVGW-JTQLQIEISA-N -1 0 317.772 3.535 50 0 DHAARM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCc3ccccc3C2)c1 ZINC000581731148 974914556 /nfs/dbraw/zinc/91/45/56/974914556.db2.gz MDPHTWZUHMZEFS-SUMWQHHRSA-N -1 0 323.392 3.618 50 0 DHAARM CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000007885548 1022945059 /nfs/dbraw/zinc/94/50/59/1022945059.db2.gz RVNULUDMUBBQFC-SJCJKPOMSA-N -1 0 324.380 3.750 50 0 DHAARM O=C([O-])Cc1csc(Nc2cc(Cl)ccc2Cl)n1 ZINC000033507648 1025382091 /nfs/dbraw/zinc/38/20/91/1025382091.db2.gz XKMQWSCEOOTUFS-UHFFFAOYSA-N -1 0 303.170 3.821 50 0 DHAARM Fc1c([S-])cc(Br)c(Br)c1F ZINC000263624986 1026564155 /nfs/dbraw/zinc/56/41/55/1026564155.db2.gz VTZURFLEHDKTIM-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM COc1cccc(C=C(C#N)C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000082068070 1035100846 /nfs/dbraw/zinc/10/08/46/1035100846.db2.gz XLQSUADNEWFDPF-LCYFTJDESA-N -1 0 322.320 3.589 50 0 DHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC000347528573 1035417060 /nfs/dbraw/zinc/41/70/60/1035417060.db2.gz VOLWSVOTWDOXSK-INDRUJQFSA-N -1 0 315.413 3.583 50 0 DHAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2ccccc2)n1 ZINC000000434266 1036818844 /nfs/dbraw/zinc/81/88/44/1036818844.db2.gz PDUDPXZEQCFLNN-UHFFFAOYSA-N -1 0 305.337 3.894 50 0 DHAARM CC(C)c1onc(-c2cscc2Br)c1C(=O)[O-] ZINC000675057428 1041340797 /nfs/dbraw/zinc/34/07/97/1041340797.db2.gz GJCCJGGQTHQJJT-UHFFFAOYSA-N -1 0 316.176 3.987 50 0 DHAARM CC(C)(C)OC(=O)Nc1nc(Cl)c(Br)cc1[O-] ZINC000095643221 185383013 /nfs/dbraw/zinc/38/30/13/185383013.db2.gz MZCWPLCBROEIBX-UHFFFAOYSA-N -1 0 323.574 3.550 50 0 DHAARM Cc1ncsc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000328594264 231234231 /nfs/dbraw/zinc/23/42/31/231234231.db2.gz LBKQTGGIQIQXJO-UHFFFAOYSA-N -1 0 310.444 3.550 50 0 DHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000024337 180670600 /nfs/dbraw/zinc/67/06/00/180670600.db2.gz VMRXNONNIMTJQP-UHFFFAOYSA-N -1 0 313.378 3.649 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000000294155 180750522 /nfs/dbraw/zinc/75/05/22/180750522.db2.gz YWMOHGQQVHRBJF-DTWKUNHWSA-N -1 0 316.184 3.823 50 0 DHAARM O=C([O-])c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000000832259 180836058 /nfs/dbraw/zinc/83/60/58/180836058.db2.gz FLJQPPPEKBAPHW-UHFFFAOYSA-N -1 0 321.332 3.556 50 0 DHAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)[O-])c(Cl)cc12 ZINC000002381682 180921527 /nfs/dbraw/zinc/92/15/27/180921527.db2.gz IXAQVAQOTRZLND-SECBINFHSA-N -1 0 324.760 3.641 50 0 DHAARM CC[C@H](C)C1C(=O)N=C(SCc2ccc(Cl)cc2)N=C1[O-] ZINC000005072925 181201186 /nfs/dbraw/zinc/20/11/86/181201186.db2.gz OZHNJRDJRUFEES-VIFPVBQESA-N -1 0 324.833 3.935 50 0 DHAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005344491 181232224 /nfs/dbraw/zinc/23/22/24/181232224.db2.gz XAKDDFGMUSJFHS-CQSZACIVSA-N -1 0 306.720 3.920 50 0 DHAARM CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000005833141 181287916 /nfs/dbraw/zinc/28/79/16/181287916.db2.gz KDGNUAXXLOXXLN-KRWDZBQOSA-N -1 0 311.381 3.583 50 0 DHAARM CCn1c(=O)c2c3c(sc2[n-]c1=S)-c1ccccc1CC3 ZINC000006458778 181343053 /nfs/dbraw/zinc/34/30/53/181343053.db2.gz ADTBHTOGGATHEE-UHFFFAOYSA-N -1 0 314.435 3.906 50 0 DHAARM CCc1cc2c(=O)c(Oc3ccccc3F)coc2cc1[O-] ZINC000006519579 181348981 /nfs/dbraw/zinc/34/89/81/181348981.db2.gz FTBMYCXWONENFQ-UHFFFAOYSA-N -1 0 300.285 3.992 50 0 DHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccccc2Cl)C1 ZINC000006699394 181371918 /nfs/dbraw/zinc/37/19/18/181371918.db2.gz KJLDHYBSPPDMKK-NEPJUHHUSA-N -1 0 307.777 3.726 50 0 DHAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2C(=O)[O-] ZINC000257346546 203068209 /nfs/dbraw/zinc/06/82/09/203068209.db2.gz PMVFYJLNDAMKPJ-IHDLXORSSA-N -1 0 316.441 3.931 50 0 DHAARM C[C@H]1CCc2c(C(=O)NCCCCCCC(=O)[O-])csc2C1 ZINC000012875196 181806465 /nfs/dbraw/zinc/80/64/65/181806465.db2.gz ULPNFLGPSLIMKG-LBPRGKRZSA-N -1 0 323.458 3.638 50 0 DHAARM CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000016007088 182028662 /nfs/dbraw/zinc/02/86/62/182028662.db2.gz RBDLKXJIZFHGMD-IAGOWNOFSA-N -1 0 317.429 3.706 50 0 DHAARM CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000016130200 182034898 /nfs/dbraw/zinc/03/48/98/182034898.db2.gz NBYRYVPOYQMTKZ-UHFFFAOYSA-N -1 0 313.781 3.842 50 0 DHAARM CCCc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1 ZINC000017053436 182071285 /nfs/dbraw/zinc/07/12/85/182071285.db2.gz ILIKUTBESPAALJ-GMGZGELVSA-N -1 0 315.413 3.715 50 0 DHAARM CC(=O)c1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000024150641 182375735 /nfs/dbraw/zinc/37/57/35/182375735.db2.gz VDPADGZYBGYMGW-UHFFFAOYSA-N -1 0 317.385 3.643 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)s1 ZINC000024070486 182374303 /nfs/dbraw/zinc/37/43/03/182374303.db2.gz DVMSYDKLLXLIBN-UHFFFAOYSA-N -1 0 324.452 3.775 50 0 DHAARM COc1cccc(Oc2ccc(-c3cccc(C(=O)[O-])c3)nn2)c1 ZINC000032918500 182680184 /nfs/dbraw/zinc/68/01/84/182680184.db2.gz BZJZBUPPCPAPAV-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM COCOc1cccc([C@H](CC(=O)[O-])c2ccccc2Cl)c1 ZINC000034928885 182745479 /nfs/dbraw/zinc/74/54/79/182745479.db2.gz MAJRHDUTXUVEOK-HNNXBMFYSA-N -1 0 320.772 3.929 50 0 DHAARM CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCCC2 ZINC000062715967 184250896 /nfs/dbraw/zinc/25/08/96/184250896.db2.gz DDBQDAAACTYCSA-XJKSGUPXSA-N -1 0 315.413 3.812 50 0 DHAARM O=C([O-])c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000066144519 184393102 /nfs/dbraw/zinc/39/31/02/184393102.db2.gz FBVPGOXFJQCJLW-UHFFFAOYSA-N -1 0 311.120 3.911 50 0 DHAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000069550003 257217287 /nfs/dbraw/zinc/21/72/87/257217287.db2.gz QMOFMPXYBDCNQQ-SNVBAGLBSA-N -1 0 320.172 3.644 50 0 biogenic DHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000129781 257266403 /nfs/dbraw/zinc/26/64/03/257266403.db2.gz OJRBXIASDCEFTM-RYUDHWBXSA-N -1 0 315.291 3.535 50 0 DHAARM O=S(=O)([N-]c1ccc2ccccc2n1)c1ccccc1Cl ZINC000000153444 431136942 /nfs/dbraw/zinc/13/69/42/431136942.db2.gz PQWLOKSYXGPRQU-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM COc1ccc(Cl)cc1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013325358 333131229 /nfs/dbraw/zinc/13/12/29/333131229.db2.gz WBDANMKSQFKEHI-UHFFFAOYSA-N -1 0 320.732 3.691 50 0 DHAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000007055480 563335718 /nfs/dbraw/zinc/33/57/18/563335718.db2.gz SGCWESURKRNXKE-UHFFFAOYSA-N -1 0 311.353 3.889 50 0 DHAARM C[C@@H](Sc1ncnc2scc(-c3ccccc3)c21)C(=O)[O-] ZINC000000131666 563221528 /nfs/dbraw/zinc/22/15/28/563221528.db2.gz CRMPAZDONIQUMT-SECBINFHSA-N -1 0 316.407 3.924 50 0 DHAARM CC[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000000131656 563221747 /nfs/dbraw/zinc/22/17/47/563221747.db2.gz UMHHCAZUDNMRSB-VIFPVBQESA-N -1 0 308.428 3.525 50 0 DHAARM Cc1ccc2c(c1)N[C@@H](c1ccc(C(=O)[O-])cc1)c1cccn1-2 ZINC000000138127 563222879 /nfs/dbraw/zinc/22/28/79/563222879.db2.gz LYIUGKBSPWTUGL-SFHVURJKSA-N -1 0 304.349 3.999 50 0 in-vitro DHAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000000205217 563230551 /nfs/dbraw/zinc/23/05/51/563230551.db2.gz XUHSEFGKTMFMJE-UHFFFAOYSA-N -1 0 309.321 3.617 50 0 DHAARM O=C([O-])c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000002512600 563305112 /nfs/dbraw/zinc/30/51/12/563305112.db2.gz LXIGRURGNUCEIT-UHFFFAOYSA-N -1 0 309.365 3.835 50 0 DHAARM Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])cc2)cc1 ZINC000002887383 563317101 /nfs/dbraw/zinc/31/71/01/563317101.db2.gz PBGBVUUOWMBHDA-UHFFFAOYSA-N -1 0 315.394 3.565 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000001640133 563335957 /nfs/dbraw/zinc/33/59/57/563335957.db2.gz HPVQBLAIZMVNQY-UWVGGRQHSA-N -1 0 315.291 3.535 50 0 DHAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000000395737 563336689 /nfs/dbraw/zinc/33/66/89/563336689.db2.gz HUFUBRUPIWODCX-UHFFFAOYSA-N -1 0 311.381 3.864 50 0 DHAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000007408994 563338520 /nfs/dbraw/zinc/33/85/20/563338520.db2.gz XEBGRBBYJHUTJV-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(F)cc1F ZINC000007405558 563338654 /nfs/dbraw/zinc/33/86/54/563338654.db2.gz CVFBHWABHBWGSW-UHFFFAOYSA-N -1 0 321.707 3.558 50 0 DHAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000008699148 563349419 /nfs/dbraw/zinc/34/94/19/563349419.db2.gz UMIXQOHZODWWEI-JTQLQIEISA-N -1 0 320.172 3.644 50 0 DHAARM O=C([O-])c1sccc1Oc1ccc(NC(=O)C2CC2)cc1 ZINC000012957984 563375369 /nfs/dbraw/zinc/37/53/69/563375369.db2.gz DUAHLEQQHLRHKJ-UHFFFAOYSA-N -1 0 303.339 3.587 50 0 DHAARM Cc1ccc(CN2CCCN(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000015414067 563409634 /nfs/dbraw/zinc/40/96/34/563409634.db2.gz YFMHSJRRTFLOOC-UHFFFAOYSA-N -1 0 324.380 3.526 50 0 DHAARM O=c1nc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)[n-]1 ZINC000017783650 563414606 /nfs/dbraw/zinc/41/46/06/563414606.db2.gz IOOPJAOQXWQJLY-UHFFFAOYSA-N -1 0 318.163 3.806 50 0 DHAARM O=c1c2ccccc2[n-]c(=S)n1CCSC1CCCC1 ZINC000027223972 563427541 /nfs/dbraw/zinc/42/75/41/563427541.db2.gz XMMYJVFSFMPCOI-UHFFFAOYSA-N -1 0 306.456 3.735 50 0 DHAARM COc1cccc(Oc2ccc(-c3ccc(C(=O)[O-])cc3)nn2)c1 ZINC000032918456 563443412 /nfs/dbraw/zinc/44/34/12/563443412.db2.gz CQRHCEIFADOSAB-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)[O-])cc1CC2 ZINC000032919131 563444105 /nfs/dbraw/zinc/44/41/05/563444105.db2.gz AGAHNPLUDBYJOV-UHFFFAOYSA-N -1 0 310.378 3.706 50 0 DHAARM Cc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000035360458 563452763 /nfs/dbraw/zinc/45/27/63/563452763.db2.gz YDXXSZYRMKTPCP-FHLIZLRMSA-N -1 0 309.365 3.938 50 0 DHAARM Cc1ccc(C)c(-c2nccn2[C@@H](CC(=O)[O-])c2ccco2)c1 ZINC000067954664 563494275 /nfs/dbraw/zinc/49/42/75/563494275.db2.gz OOVQSWYWPYDRFR-HNNXBMFYSA-N -1 0 310.353 3.824 50 0 DHAARM Cc1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(F)cc2)c(C)c1 ZINC000075772036 563505635 /nfs/dbraw/zinc/50/56/35/563505635.db2.gz DWARNBDEIYEZLP-UHFFFAOYSA-N -1 0 310.328 3.993 50 0 DHAARM O=C([O-])[C@H]1CC[C@@H](C(=O)c2ccc(Br)cc2)CC1 ZINC000100449872 563550993 /nfs/dbraw/zinc/55/09/93/563550993.db2.gz IWFBIELJDOHRIX-HOMQSWHASA-N -1 0 311.175 3.523 50 0 DHAARM O=C(C=C([O-])c1ccc(Br)cc1)c1ccccc1 ZINC000100624736 563552126 /nfs/dbraw/zinc/55/21/26/563552126.db2.gz IDQRBGOEWUVZGM-UHFFFAOYSA-N -1 0 303.155 3.905 50 0 DHAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccco2)cc1 ZINC000000111577 563570372 /nfs/dbraw/zinc/57/03/72/563570372.db2.gz WXRYWWVHGLSKGB-CQSZACIVSA-N -1 0 315.369 3.523 50 0 DHAARM CCC(CC)C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221032541 563582880 /nfs/dbraw/zinc/58/28/80/563582880.db2.gz KSTJLTJITQNUBD-KGLIPLIRSA-N -1 0 313.438 3.913 50 0 DHAARM O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000000141597 563606278 /nfs/dbraw/zinc/60/62/78/563606278.db2.gz ZDKYIQBMASAZLU-UHFFFAOYSA-N -1 0 309.243 3.656 50 0 DHAARM O=c1c2cc(Cl)ccc2[n-]c(=S)n1CCc1ccccc1 ZINC000000425316 563613373 /nfs/dbraw/zinc/61/33/73/563613373.db2.gz TVTBXFIBTDMWCS-UHFFFAOYSA-N -1 0 316.813 3.955 50 0 DHAARM O=C([O-])C1(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000013250516 563657659 /nfs/dbraw/zinc/65/76/59/563657659.db2.gz NWBYTCCIXKHTPP-UHFFFAOYSA-N -1 0 316.184 3.967 50 0 DHAARM O=C([O-])C1(CC(=O)Nc2cccc3c2CCCC3)CCCC1 ZINC000013466626 563659630 /nfs/dbraw/zinc/65/96/30/563659630.db2.gz CBIIFHGLWYTQAH-UHFFFAOYSA-N -1 0 301.386 3.539 50 0 DHAARM O=C([O-])CCCC(=O)n1c(Cc2ccccc2)nc2ccccc21 ZINC000000520050 563662481 /nfs/dbraw/zinc/66/24/81/563662481.db2.gz GGXDGKCTUPLYAQ-UHFFFAOYSA-N -1 0 322.364 3.522 50 0 DHAARM COc1ccc(-c2cc(=O)n3[n-]c(-c4ccccc4)cc3n2)cc1 ZINC000105596972 563677187 /nfs/dbraw/zinc/67/71/87/563677187.db2.gz JQYIGZUPAUROOP-UHFFFAOYSA-N -1 0 317.348 3.778 50 0 DHAARM CSc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000007745745 563717039 /nfs/dbraw/zinc/71/70/39/563717039.db2.gz WNWSLJOHZAQQLA-UHFFFAOYSA-N -1 0 307.440 3.826 50 0 DHAARM Cc1cc2n(n1)[C@H](c1ccc(C(=O)[O-])cc1)Nc1c(C)cccc1-2 ZINC000000818099 563720944 /nfs/dbraw/zinc/72/09/44/563720944.db2.gz GQUIHFVLSVGOSL-GOSISDBHSA-N -1 0 319.364 3.838 50 0 DHAARM Cc1coc2ccc(NC(=O)NC3CCC(C(=O)[O-])CC3)cc12 ZINC000263092903 563781038 /nfs/dbraw/zinc/78/10/38/563781038.db2.gz SUHMIUFSFZPJMA-UHFFFAOYSA-N -1 0 316.357 3.506 50 0 DHAARM Fc1c([S-])c(F)c(Br)cc1Br ZINC000263624028 563794597 /nfs/dbraw/zinc/79/45/97/563794597.db2.gz MUFIQIRMZDCEIV-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000044253915 563801633 /nfs/dbraw/zinc/80/16/33/563801633.db2.gz BGGNWNNIGJRQCJ-UHFFFAOYSA-N -1 0 313.781 3.897 50 0 DHAARM O=C([O-])c1ccc(NN=Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015953028 563854742 /nfs/dbraw/zinc/85/47/42/563854742.db2.gz LSYTXSVHHDVOFU-UHFFFAOYSA-N -1 0 308.259 3.850 50 0 DHAARM O=C(NCCCOC1CCCCC1)c1ccc([O-])c(Cl)c1 ZINC000012953108 563860343 /nfs/dbraw/zinc/86/03/43/563860343.db2.gz RUFRGDLTQYKXHD-UHFFFAOYSA-N -1 0 311.809 3.515 50 0 DHAARM CS[C@@H]1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000089334755 563884937 /nfs/dbraw/zinc/88/49/37/563884937.db2.gz JJOXEIHRCVICTO-VHSXEESVSA-N -1 0 317.813 3.541 50 0 DHAARM CC(C)(C)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000006880660 563898008 /nfs/dbraw/zinc/89/80/08/563898008.db2.gz IUNMEJTVZRKJBZ-LSDHHAIUSA-N -1 0 301.386 3.590 50 0 DHAARM O=c1c2cc(Cl)ccc2nc(-c2ccc(Cl)cc2)n1[O-] ZINC000006883677 563898325 /nfs/dbraw/zinc/89/83/25/563898325.db2.gz AOFZHKXJYADZEA-UHFFFAOYSA-N -1 0 307.136 3.608 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000007053392 563901928 /nfs/dbraw/zinc/90/19/28/563901928.db2.gz GOJOKXWARVUPLK-UHFFFAOYSA-N -1 0 315.316 3.815 50 0 DHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000238017622 563914057 /nfs/dbraw/zinc/91/40/57/563914057.db2.gz IKBAYINUUKCJAP-GFCCVEGCSA-N -1 0 317.410 3.618 50 0 DHAARM CCCCc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000002421525 563928237 /nfs/dbraw/zinc/92/82/37/563928237.db2.gz WHKBUPRGAZEQFH-HNNXBMFYSA-N -1 0 306.406 3.650 50 0 DHAARM Cc1nc2c3ccccc3oc2c(NCCCCCC(=O)[O-])n1 ZINC000002435853 563928664 /nfs/dbraw/zinc/92/86/64/563928664.db2.gz PYIUVIDLHIUCLH-UHFFFAOYSA-N -1 0 313.357 3.741 50 0 DHAARM Cc1oc2ncnc(NC3CCCCCCC3)c2c1C(=O)[O-] ZINC000013367268 563929477 /nfs/dbraw/zinc/92/94/77/563929477.db2.gz PXQKJLSUUVMHPS-UHFFFAOYSA-N -1 0 303.362 3.754 50 0 DHAARM CC(C)c1nc(/C=C\c2ccc(O)c(Cl)c2)ncc1C(=O)[O-] ZINC000096295441 563936111 /nfs/dbraw/zinc/93/61/11/563936111.db2.gz JKEVNMKCSCSGBI-XQRVVYSFSA-N -1 0 318.760 3.828 50 0 DHAARM CSCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000008267030 563947327 /nfs/dbraw/zinc/94/73/27/563947327.db2.gz RYLHPVGYZHCTSM-UHFFFAOYSA-N -1 0 315.394 3.809 50 0 DHAARM CC(C)c1noc2nc(-c3ccc(F)cc3)cc(C(=O)[O-])c21 ZINC000008394151 563948394 /nfs/dbraw/zinc/94/83/94/563948394.db2.gz XIUGFVYWYYPYKR-UHFFFAOYSA-N -1 0 300.289 3.851 50 0 DHAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)c1ccccn1 ZINC000039476557 563951224 /nfs/dbraw/zinc/95/12/24/563951224.db2.gz FPSDUDWHJRQWFM-UHFFFAOYSA-N -1 0 303.317 3.678 50 0 DHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1Cc1ccc(Cl)cc1 ZINC000009547852 563956704 /nfs/dbraw/zinc/95/67/04/563956704.db2.gz UFVYZCLSYOVFKB-UHFFFAOYSA-N -1 0 316.763 3.857 50 0 DHAARM CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000066146200 957645469 /nfs/dbraw/zinc/64/54/69/957645469.db2.gz WSMKTLBZMYRCPA-LBPRGKRZSA-N -1 0 313.353 3.814 50 0 DHAARM Cc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1C ZINC000096018663 958335734 /nfs/dbraw/zinc/33/57/34/958335734.db2.gz USFDGVYVQHBYEC-POHAHGRESA-N -1 0 310.349 3.663 50 0 DHAARM CC(C)c1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000630300037 975238874 /nfs/dbraw/zinc/23/88/74/975238874.db2.gz YAIZNIBAUUTQQL-PBHICJAKSA-N -1 0 317.429 3.974 50 0 DHAARM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000095425048 1032151798 /nfs/dbraw/zinc/15/17/98/1032151798.db2.gz SHUPYDZHCVAAEI-MRZGDXHCSA-N -1 0 319.401 3.564 50 0 DHAARM O=C(Nc1nc2c(s1)CCCC2)c1cc(Cl)ccc1[O-] ZINC000006967139 1035041666 /nfs/dbraw/zinc/04/16/66/1035041666.db2.gz VKEPDAKQPOMUJW-UHFFFAOYSA-N -1 0 308.790 3.633 50 0 DHAARM Cc1c([O-])c(-c2cc[nH]n2)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000032608328 1036448406 /nfs/dbraw/zinc/44/84/06/1036448406.db2.gz ZPDALVVWQGCPDV-UHFFFAOYSA-N -1 0 318.332 3.864 50 0 DHAARM CC(C)c1onc(-c2ccc(Br)o2)c1C(=O)[O-] ZINC000675057491 1041342042 /nfs/dbraw/zinc/34/20/42/1041342042.db2.gz HETIOWPZKSEWLX-UHFFFAOYSA-N -1 0 300.108 3.519 50 0 DHAARM O=C([O-])c1c(-c2cscc2Br)noc1C(F)F ZINC000675057443 1041339464 /nfs/dbraw/zinc/33/94/64/1041339464.db2.gz GMZONZIJIJXTCL-UHFFFAOYSA-N -1 0 324.102 3.801 50 0 DHAARM Cc1ccc(C)c(NC(=O)[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)c1 ZINC000000048853 180677463 /nfs/dbraw/zinc/67/74/63/180677463.db2.gz GUZKZSJIGLZHCM-ACJLOTCBSA-N -1 0 303.402 3.769 50 0 DHAARM O=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000000117207 180698136 /nfs/dbraw/zinc/69/81/36/180698136.db2.gz UUIRWZNSLSACOU-CQSZACIVSA-N -1 0 309.793 3.552 50 0 DHAARM Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1C ZINC000000314228 180756813 /nfs/dbraw/zinc/75/68/13/180756813.db2.gz NLMCOVFCZRTYEZ-UHFFFAOYSA-N -1 0 309.774 3.969 50 0 DHAARM Cc1ccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1C ZINC000000482421 180804510 /nfs/dbraw/zinc/80/45/10/180804510.db2.gz LIEBYCUZFRPLSV-UHFFFAOYSA-N -1 0 313.353 3.899 50 0 DHAARM Cc1cc(-c2ccccc2)c2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000003653502 181044459 /nfs/dbraw/zinc/04/44/59/181044459.db2.gz RNEJAXWYSZGXSP-UHFFFAOYSA-N -1 0 308.362 3.819 50 0 DHAARM O=C([O-])C[C@@H](c1ccc(Cl)cc1)N1Cc2ccccc2C1=O ZINC000003855941 181049700 /nfs/dbraw/zinc/04/97/00/181049700.db2.gz JTWQKGBPZUZCAC-HNNXBMFYSA-N -1 0 315.756 3.512 50 0 DHAARM CCc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000003907545 181055703 /nfs/dbraw/zinc/05/57/03/181055703.db2.gz JXFLCFAZIKVISG-UHFFFAOYSA-N -1 0 312.394 3.598 50 0 DHAARM Cc1cc(C)cc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC000004593173 181128058 /nfs/dbraw/zinc/12/80/58/181128058.db2.gz MYYNNMQPXISXKN-UHFFFAOYSA-N -1 0 313.353 3.899 50 0 DHAARM Cc1sc(NC(=O)/C=C/c2ccccc2)c(C(=O)[O-])c1C ZINC000004865531 181165053 /nfs/dbraw/zinc/16/50/53/181165053.db2.gz ZAFWIXYCFAXUEJ-CMDGGOBGSA-N -1 0 301.367 3.715 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000005375250 181236098 /nfs/dbraw/zinc/23/60/98/181236098.db2.gz TZQQIVZBPZUVLT-UHFFFAOYSA-N -1 0 304.733 3.991 50 0 DHAARM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000005354730 181233658 /nfs/dbraw/zinc/23/36/58/181233658.db2.gz OXSAJRXZZRQLAN-HQJQHLMTSA-N -1 0 319.188 3.614 50 0 DHAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1ccc(O)cc1 ZINC000005731165 181277825 /nfs/dbraw/zinc/27/78/25/181277825.db2.gz FDOCSPJSORMSTH-UHFFFAOYSA-N -1 0 322.238 3.890 50 0 DHAARM CCc1cccc(CC)c1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005909009 181295236 /nfs/dbraw/zinc/29/52/36/181295236.db2.gz YCBDARFIOKMGMT-GJZGRUSLSA-N -1 0 303.402 3.641 50 0 DHAARM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221915142 201596780 /nfs/dbraw/zinc/59/67/80/201596780.db2.gz SHUPYDZHCVAAEI-DEBLGDTFSA-N -1 0 319.401 3.564 50 0 DHAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2C(=O)[O-] ZINC000257346547 203068190 /nfs/dbraw/zinc/06/81/90/203068190.db2.gz PMVFYJLNDAMKPJ-XVSWOPEYSA-N -1 0 316.441 3.931 50 0 DHAARM O=C([O-])c1cc(Br)ccc1OCCc1ccccc1 ZINC000011859937 181712512 /nfs/dbraw/zinc/71/25/12/181712512.db2.gz QKYUPLPJCKWDTB-UHFFFAOYSA-N -1 0 321.170 3.769 50 0 DHAARM CCCc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000013249125 181838967 /nfs/dbraw/zinc/83/89/67/181838967.db2.gz GPJIJSPPZGTVIV-KRWDZBQOSA-N -1 0 311.381 3.836 50 0 DHAARM O=S(=O)([N-]c1cccc2ccccc21)c1cc(F)ccc1F ZINC000014257001 181945638 /nfs/dbraw/zinc/94/56/38/181945638.db2.gz DQFBVEKUZZETKQ-UHFFFAOYSA-N -1 0 319.332 3.919 50 0 DHAARM Cc1cccc(-n2c(=S)[n-]nc2-c2ccc3c(c2)OCO3)c1 ZINC000017032291 182070143 /nfs/dbraw/zinc/07/01/43/182070143.db2.gz ANGFCMQYMRRZOD-UHFFFAOYSA-N -1 0 311.366 3.634 50 0 DHAARM CCCc1cc(=O)n2[n-]c(C)c(-c3ccc(Cl)cc3)c2n1 ZINC000017058941 182074272 /nfs/dbraw/zinc/07/42/72/182074272.db2.gz PPACHXJPCSORHE-UHFFFAOYSA-N -1 0 301.777 3.604 50 0 DHAARM Cc1c(C(=O)[O-])sc2ncnc(NC3CCCCCC3)c12 ZINC000021651051 182282791 /nfs/dbraw/zinc/28/27/91/182282791.db2.gz PIOQHWKIARHIHH-UHFFFAOYSA-N -1 0 305.403 3.833 50 0 DHAARM O=C([O-])[C@H]1CC[C@@H](CC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000098090534 193784641 /nfs/dbraw/zinc/78/46/41/193784641.db2.gz JBHBXUHEXGXHEJ-KOLCDFICSA-N -1 0 300.276 3.779 50 0 DHAARM Cc1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)o1 ZINC000040082406 183031933 /nfs/dbraw/zinc/03/19/33/183031933.db2.gz SHLNXFIMKMPWQD-UHFFFAOYSA-N -1 0 301.323 3.753 50 0 DHAARM O=C([O-])c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1 ZINC000041566703 183203820 /nfs/dbraw/zinc/20/38/20/183203820.db2.gz VRAUXWIMMTZZBI-UHFFFAOYSA-N -1 0 313.744 3.625 50 0 DHAARM O=C([O-])[C@@H]1CCC[C@H]1CC(=O)c1cccc(C(F)(F)F)c1 ZINC000043879144 183388531 /nfs/dbraw/zinc/38/85/31/183388531.db2.gz BCCWSJZUORSYGK-JOYOIKCWSA-N -1 0 300.276 3.779 50 0 DHAARM C[C@@H](c1ccc2c(c1)CCO2)n1c(=O)c2ccccc2[n-]c1=S ZINC000060791796 184155690 /nfs/dbraw/zinc/15/56/90/184155690.db2.gz LDEIYBBJHQCZHX-NSHDSACASA-N -1 0 324.405 3.603 50 0 DHAARM CCn1c2ccccc2nc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000021592457 257211135 /nfs/dbraw/zinc/21/11/35/257211135.db2.gz LJYBXQKNHSVLHR-UHFFFAOYSA-N -1 0 315.760 3.668 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000129784 257266365 /nfs/dbraw/zinc/26/63/65/257266365.db2.gz OJRBXIASDCEFTM-NEPJUHHUSA-N -1 0 315.291 3.535 50 0 DHAARM O=C([O-])[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000011887829 563360215 /nfs/dbraw/zinc/36/02/15/563360215.db2.gz ZQWOGBQVPWTKDG-CYBMUJFWSA-N -1 0 307.143 3.654 50 0 DHAARM O=C([O-])C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000000056467 563212003 /nfs/dbraw/zinc/21/20/03/563212003.db2.gz ZKNSZZXBPSICFK-UHFFFAOYSA-N -1 0 313.136 3.862 50 0 DHAARM O=C(Cc1c(=O)oc2ccccc2c1[O-])c1cc2ccccc2o1 ZINC000000070286 563212724 /nfs/dbraw/zinc/21/27/24/563212724.db2.gz IXSCZZFUDRRBAJ-UHFFFAOYSA-N -1 0 320.300 3.670 50 0 DHAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccccn1 ZINC000000107146 563218185 /nfs/dbraw/zinc/21/81/85/563218185.db2.gz JGDIDUGNKDILRW-UHFFFAOYSA-N -1 0 318.332 3.699 50 0 DHAARM C[C@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000000217545 563231660 /nfs/dbraw/zinc/23/16/60/563231660.db2.gz LUZOPIUNJBJASD-MLGOLLRUSA-N -1 0 315.344 3.659 50 0 DHAARM Cc1cccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)c1C ZINC000000244148 563232870 /nfs/dbraw/zinc/23/28/70/563232870.db2.gz SWLPPWIVUZBATG-UHFFFAOYSA-N -1 0 313.353 3.899 50 0 DHAARM CCCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)[O-] ZINC000000303257 563238035 /nfs/dbraw/zinc/23/80/35/563238035.db2.gz UZWSLDAWYLKPKW-UHFFFAOYSA-N -1 0 319.382 3.861 50 0 DHAARM O=C([O-])c1cc(-c2cccs2)nn1-c1ccc(Cl)cc1 ZINC000000324068 563241498 /nfs/dbraw/zinc/24/14/98/563241498.db2.gz UCZHRNRPTVAEGK-UHFFFAOYSA-N -1 0 304.758 3.952 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000000399094 563251188 /nfs/dbraw/zinc/25/11/88/563251188.db2.gz YVJLYTBSRNFNJA-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM Cc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)[O-])cc1 ZINC000001404973 563282757 /nfs/dbraw/zinc/28/27/57/563282757.db2.gz OMPQGWQGSCEPRE-UHFFFAOYSA-N -1 0 306.321 3.943 50 0 DHAARM O=C([O-])Cc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000002381043 563302914 /nfs/dbraw/zinc/30/29/14/563302914.db2.gz KMGIHAXAKXRFLZ-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM CCCCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000003094734 563321711 /nfs/dbraw/zinc/32/17/11/563321711.db2.gz MHUFBSHKGRBQKW-CVEARBPZSA-N -1 0 319.401 3.695 50 0 DHAARM Cc1nc(COc2ccc(C(C)(C)C)cc2)[n-]c(=O)c1Cl ZINC000011328290 563358097 /nfs/dbraw/zinc/35/80/97/563358097.db2.gz MDXJSXCBEBSWGM-UHFFFAOYSA-N -1 0 306.793 3.608 50 0 DHAARM CCc1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2n1C ZINC000000044622 563511548 /nfs/dbraw/zinc/51/15/48/563511548.db2.gz YHYDMJJKEPQMTC-UHFFFAOYSA-N -1 0 320.348 3.615 50 0 biogenic DHAARM CCc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1 ZINC000000050953 563514044 /nfs/dbraw/zinc/51/40/44/563514044.db2.gz XTPAYHJEORPSIM-UHFFFAOYSA-N -1 0 312.394 3.598 50 0 DHAARM O=C([O-])CCc1ccccc1C(=O)N1CCC2(C1)CCCCC2 ZINC000585134359 563517930 /nfs/dbraw/zinc/51/79/30/563517930.db2.gz PFGRBRNESOUXSU-UHFFFAOYSA-N -1 0 315.413 3.500 50 0 DHAARM O=C([O-])Cc1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000085477282 563521327 /nfs/dbraw/zinc/52/13/27/563521327.db2.gz KMYKGIFEUAGYQU-UHFFFAOYSA-N -1 0 323.392 3.607 50 0 DHAARM CCC(C(=O)c1cccc(OC)c1)=C([O-])c1cccc(OC)c1 ZINC000100780535 563553409 /nfs/dbraw/zinc/55/34/09/563553409.db2.gz AESSGVYSHMHJID-UHFFFAOYSA-N -1 0 312.365 3.796 50 0 DHAARM O=C([O-])c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1 ZINC000011801571 563599573 /nfs/dbraw/zinc/59/95/73/563599573.db2.gz CTJVDXXKTWLCKE-UHFFFAOYSA-N -1 0 321.361 3.847 50 0 DHAARM Cc1oc(CC(C)C)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000376457 563608185 /nfs/dbraw/zinc/60/81/85/563608185.db2.gz PQYFGXDAXRJCCT-UHFFFAOYSA-N -1 0 301.342 3.737 50 0 DHAARM C[C@@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2Cc2ccccc21 ZINC000000209311 563611247 /nfs/dbraw/zinc/61/12/47/563611247.db2.gz KGUJICJKGOBPND-BDJLRTHQSA-N -1 0 307.349 3.589 50 0 DHAARM O=C(COc1ccccc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000621168 563631800 /nfs/dbraw/zinc/63/18/00/563631800.db2.gz JCYQIPJQATURSC-UHFFFAOYSA-N -1 0 312.152 3.717 50 0 DHAARM O=C([O-])c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000013166500 563657323 /nfs/dbraw/zinc/65/73/23/563657323.db2.gz WQMDYOIRHBTBAM-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM O=C([O-])c1cnc(-c2ccccc2OCc2cccc(F)c2)cn1 ZINC000215596786 563706129 /nfs/dbraw/zinc/70/61/29/563706129.db2.gz SLLQLDPIKGLUCL-UHFFFAOYSA-N -1 0 324.311 3.560 50 0 DHAARM CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000000811976 563718839 /nfs/dbraw/zinc/71/88/39/563718839.db2.gz MTKNRLYSLGZIKT-UHFFFAOYSA-N -1 0 301.820 3.765 50 0 DHAARM CCc1c(C)sc2[n-]c(-c3nc4ccccc4o3)nc(=O)c12 ZINC000225517579 563757888 /nfs/dbraw/zinc/75/78/88/563757888.db2.gz SDADDDXNCJWQKF-UHFFFAOYSA-N -1 0 311.366 3.664 50 0 DHAARM Cc1cc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c(C)s1 ZINC000096298664 563762765 /nfs/dbraw/zinc/76/27/65/563762765.db2.gz OPQNLTPBUBLROG-YVMONPNESA-N -1 0 316.378 3.724 50 0 DHAARM Cc1cccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)[O-])c1 ZINC000012759176 563824894 /nfs/dbraw/zinc/82/48/94/563824894.db2.gz XUWJIYFLAJTXKI-LBPRGKRZSA-N -1 0 315.394 3.813 50 0 DHAARM CC[C@H](C)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000239415405 563843667 /nfs/dbraw/zinc/84/36/67/563843667.db2.gz UJOKOFCXXUTHFD-VBNZEHGJSA-N -1 0 301.386 3.806 50 0 DHAARM CCCc1ccc(S(=O)(=O)[N-]c2sc(C)nc2C)cc1 ZINC000075106841 563859887 /nfs/dbraw/zinc/85/98/87/563859887.db2.gz IHHJGJJSMYCXAW-UHFFFAOYSA-N -1 0 310.444 3.513 50 0 DHAARM Cc1ccccc1OCCN(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000013004299 563875173 /nfs/dbraw/zinc/87/51/73/563875173.db2.gz CPYIYMHVUDAHSA-UHFFFAOYSA-N -1 0 319.788 3.505 50 0 DHAARM Cc1sc2ncnc(NCCC(=O)[O-])c2c1-c1ccccc1 ZINC000001942460 563886256 /nfs/dbraw/zinc/88/62/56/563886256.db2.gz JUSKDFOQSVLAGD-UHFFFAOYSA-N -1 0 313.382 3.553 50 0 DHAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)[C@H](C(=O)[O-])C1 ZINC000006848958 563897111 /nfs/dbraw/zinc/89/71/11/563897111.db2.gz OCJGRKZKQSBPLD-IAGOWNOFSA-N -1 0 313.397 3.561 50 0 DHAARM C[C@H](c1cccs1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000036378408 563897116 /nfs/dbraw/zinc/89/71/16/563897116.db2.gz FRRHVUCHVYJVNQ-SECBINFHSA-N -1 0 305.428 3.651 50 0 DHAARM CC(=CN=Nc1nc2ccccc2c(=O)[n-]1)Cc1ccccc1 ZINC000253531486 563901574 /nfs/dbraw/zinc/90/15/74/563901574.db2.gz XQBGZUSIPXQEMM-AOWAQQDZSA-N -1 0 304.353 3.837 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000007402394 563905971 /nfs/dbraw/zinc/90/59/71/563905971.db2.gz YJAIDVURWAZKBS-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM O=C([O-])c1ccccc1Nc1nccc(Nc2ccccc2)n1 ZINC000170621805 563908524 /nfs/dbraw/zinc/90/85/24/563908524.db2.gz IDKNRSLFZUIDSW-UHFFFAOYSA-N -1 0 306.325 3.662 50 0 DHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000237969373 563914059 /nfs/dbraw/zinc/91/40/59/563914059.db2.gz PXBXUEJZVOMLTL-LBPRGKRZSA-N -1 0 317.410 3.618 50 0 DHAARM CCCC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1OC ZINC000002213932 563919119 /nfs/dbraw/zinc/91/91/19/563919119.db2.gz MEVOPXDUXCKJAO-QWHCGFSZSA-N -1 0 307.390 3.551 50 0 DHAARM O=C(Nc1ccnn1C1CCCCC1)c1c([O-])cc(F)cc1F ZINC000066043718 563919808 /nfs/dbraw/zinc/91/98/08/563919808.db2.gz GESPHZJUKWITQM-UHFFFAOYSA-N -1 0 321.327 3.624 50 0 DHAARM O=C([O-])c1cc(-c2ccccc2OC[C@@H]2CCOC2)ccc1F ZINC000579853325 563920584 /nfs/dbraw/zinc/92/05/84/563920584.db2.gz MGRFKWUKXDEWBK-GFCCVEGCSA-N -1 0 316.328 3.606 50 0 DHAARM CC(C)(CNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000095349678 563931157 /nfs/dbraw/zinc/93/11/57/563931157.db2.gz YLYSGJXIJHDCPL-UHFFFAOYSA-N -1 0 321.779 3.892 50 0 DHAARM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000095956838 563932303 /nfs/dbraw/zinc/93/23/03/563932303.db2.gz IYVOIMNQJRZCNI-AWEZNQCLSA-N -1 0 315.394 3.596 50 0 DHAARM O=C([O-])CCC1CCN(C(=O)c2csc3ccccc23)CC1 ZINC000095957708 563932357 /nfs/dbraw/zinc/93/23/57/563932357.db2.gz BVGHHYFAUJNWJK-UHFFFAOYSA-N -1 0 317.410 3.618 50 0 DHAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000095970783 563933354 /nfs/dbraw/zinc/93/33/54/563933354.db2.gz ASJHZQGJZVOSOG-UHFFFAOYSA-N -1 0 317.410 3.682 50 0 DHAARM Cc1nn(-c2cccc(C(=O)[O-])c2)c(C)c1Oc1ccccc1O ZINC000002638063 563939948 /nfs/dbraw/zinc/93/99/48/563939948.db2.gz JSIHRNBDNKACEZ-UHFFFAOYSA-N -1 0 324.336 3.685 50 0 DHAARM C[C@H]1CCc2nc(-c3cc4ccc([O-])cc4oc3=O)sc2C1 ZINC000003168757 563942472 /nfs/dbraw/zinc/94/24/72/563942472.db2.gz LHQJCMABASVDMR-VIFPVBQESA-N -1 0 313.378 3.747 50 0 DHAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1Cc1ccc(F)cc1 ZINC000044672162 568412993 /nfs/dbraw/zinc/41/29/93/568412993.db2.gz YCYWQNZBOAKDCQ-UHFFFAOYSA-N -1 0 314.291 3.575 50 0 DHAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000322742437 970924065 /nfs/dbraw/zinc/92/40/65/970924065.db2.gz YZUKNLPYVPRBAJ-MRXNPFEDSA-N -1 0 309.365 3.522 50 0 DHAARM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c(Cl)c1 ZINC000235862664 960522159 /nfs/dbraw/zinc/52/21/59/960522159.db2.gz NVLUWNQWMZUMOK-UHFFFAOYSA-N -1 0 309.793 3.556 50 0 DHAARM CC(C)c1ccc([C@H]2CCCN2C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000630300039 975238896 /nfs/dbraw/zinc/23/88/96/975238896.db2.gz YAIZNIBAUUTQQL-RHSMWYFYSA-N -1 0 317.429 3.974 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000005948053 1024502434 /nfs/dbraw/zinc/50/24/34/1024502434.db2.gz UUULSUUNXGCFDC-ZWKOTPCHSA-N -1 0 321.376 3.959 50 0 DHAARM Cc1[n-]n(-c2nc(-c3cccc(Cl)c3)cs2)c(=O)c1C ZINC000106942303 1024658983 /nfs/dbraw/zinc/65/89/83/1024658983.db2.gz QRWNFVNFLWCUFZ-QMMMGPOBSA-N -1 0 305.790 3.822 50 0 DHAARM O=C([O-])c1ccc(NN=C2CCSc3ccc(F)cc32)cc1 ZINC000007166162 1027733739 /nfs/dbraw/zinc/73/37/39/1027733739.db2.gz BOKCCRRGLIKOGJ-UHFFFAOYSA-N -1 0 316.357 3.836 50 0 DHAARM C/C=C(/NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002560012 1037181523 /nfs/dbraw/zinc/18/15/23/1037181523.db2.gz MCHXCZMMTWJODE-LAZPYJJCSA-N -1 0 323.348 3.514 50 0 DHAARM CC1(C)C[C@@]2(C(=O)[O-])C[C@](C)(CC3=C2C(=O)C(=O)C(C)(C)C3)C1 ZINC000005705815 1039651486 /nfs/dbraw/zinc/65/14/86/1039651486.db2.gz RSQMBCZMIZLTDC-RTBURBONSA-N -1 0 318.413 3.542 50 0 DHAARM O=C([O-])[C@H]1CCC[C@@H]1CC(=O)c1ccccc1Br ZINC000083328541 185222241 /nfs/dbraw/zinc/22/22/41/185222241.db2.gz UVVMQPBDJHJONA-ZJUUUORDSA-N -1 0 311.175 3.523 50 0 DHAARM CCOc1ccc(-c2ccnc(-c3ccco3)n2)cc1C(=O)[O-] ZINC000071715021 191011154 /nfs/dbraw/zinc/01/11/54/191011154.db2.gz YHCBFSZACOERRK-UHFFFAOYSA-N -1 0 310.309 3.501 50 0 DHAARM CCOc1ccc(-c2ccnc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000071753253 191024017 /nfs/dbraw/zinc/02/40/17/191024017.db2.gz MZWAVSFMDHQPMT-UHFFFAOYSA-N -1 0 320.348 3.908 50 0 DHAARM COc1ccccc1-c1cccc(C[C@]2(C(=O)[O-])CCCO2)c1 ZINC000072372215 191139818 /nfs/dbraw/zinc/13/98/18/191139818.db2.gz ZWHDXDGHDNVCFS-IBGZPJMESA-N -1 0 312.365 3.539 50 0 DHAARM CCc1ccccc1C(=O)N1CC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000072479349 191178831 /nfs/dbraw/zinc/17/88/31/191178831.db2.gz MHMGEICWINXCNJ-KRWDZBQOSA-N -1 0 323.392 3.577 50 0 DHAARM Cc1cc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)Nc1c(C)cccc1-2 ZINC000000818100 180835315 /nfs/dbraw/zinc/83/53/15/180835315.db2.gz GQUIHFVLSVGOSL-SFHVURJKSA-N -1 0 319.364 3.838 50 0 DHAARM O=C([O-])[C@H]1c2cccn2-c2ccccc2CN1Cc1ccccc1 ZINC000001501683 180870148 /nfs/dbraw/zinc/87/01/48/180870148.db2.gz VMPNGGQMDYFJKA-LJQANCHMSA-N -1 0 318.376 3.619 50 0 DHAARM NC(=O)CCCCCCCCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004190634 181083641 /nfs/dbraw/zinc/08/36/41/181083641.db2.gz UMSQZSNAZSYHPJ-QGZVFWFLSA-N -1 0 319.445 3.926 50 0 DHAARM Cc1sc2nc(C)nc(NCCCCCC(=O)[O-])c2c1C ZINC000004476213 181112163 /nfs/dbraw/zinc/11/21/63/181112163.db2.gz NNIYVNVIGOGSCJ-UHFFFAOYSA-N -1 0 307.419 3.673 50 0 DHAARM CCc1ccccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004651522 181132038 /nfs/dbraw/zinc/13/20/38/181132038.db2.gz QPNIHUYGLPWINJ-CABCVRRESA-N -1 0 301.386 3.635 50 0 DHAARM CCc1ccccc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004651523 181132196 /nfs/dbraw/zinc/13/21/96/181132196.db2.gz QPNIHUYGLPWINJ-GJZGRUSLSA-N -1 0 301.386 3.635 50 0 DHAARM O=C([O-])C(=O)c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000004710148 181140658 /nfs/dbraw/zinc/14/06/58/181140658.db2.gz VQNPSCYJZXDHIM-UHFFFAOYSA-N -1 0 313.740 3.610 50 0 DHAARM Cc1cccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C ZINC000004724098 181142421 /nfs/dbraw/zinc/14/24/21/181142421.db2.gz ZBGXCMJLVANBLQ-HUUCEWRRSA-N -1 0 301.386 3.689 50 0 DHAARM CCCCCOc1ccccc1C(=O)NCCCCCC(=O)[O-] ZINC000004836764 181159900 /nfs/dbraw/zinc/15/99/00/181159900.db2.gz HPKGXSKJCNQPLU-UHFFFAOYSA-N -1 0 321.417 3.630 50 0 DHAARM COc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 ZINC000004840210 181160549 /nfs/dbraw/zinc/16/05/49/181160549.db2.gz MKRUAXUXLDDNKI-UHFFFAOYSA-N -1 0 306.745 3.934 50 0 DHAARM Cc1nc2c3ccccc3oc2c(N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000005218542 181218361 /nfs/dbraw/zinc/21/83/61/181218361.db2.gz BPGOPKWEDNEPJC-LBPRGKRZSA-N -1 0 313.357 3.596 50 0 DHAARM COc1ccccc1-n1c(Cc2cccs2)n[n-]c1=S ZINC000005570287 181258492 /nfs/dbraw/zinc/25/84/92/181258492.db2.gz JSQXPLUBCGWMHF-UHFFFAOYSA-N -1 0 303.412 3.591 50 0 DHAARM COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)[O-])cc1 ZINC000005670657 181270215 /nfs/dbraw/zinc/27/02/15/181270215.db2.gz QQLAJYFBOAHMSU-XFXZXTDPSA-N -1 0 320.348 3.646 50 0 DHAARM C[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000237415779 202259117 /nfs/dbraw/zinc/25/91/17/202259117.db2.gz ROXAVJWUOXIYAS-KUHUBIRLSA-N -1 0 323.392 3.537 50 0 DHAARM Cc1ccc(CCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000237691277 202328873 /nfs/dbraw/zinc/32/88/73/202328873.db2.gz MTQWJEFXOSHDAH-CQSZACIVSA-N -1 0 323.458 3.625 50 0 DHAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccc4c(c3)OCO4)nc12 ZINC000006318516 181329903 /nfs/dbraw/zinc/32/99/03/181329903.db2.gz DHOGZJSEQQNIJM-UHFFFAOYSA-N -1 0 307.305 3.637 50 0 DHAARM Cc1ccc(F)cc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000006698206 181371759 /nfs/dbraw/zinc/37/17/59/181371759.db2.gz VFNLBAQNDSQIRW-KBPBESRZSA-N -1 0 305.349 3.520 50 0 DHAARM CSc1ccccc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000006740961 181380392 /nfs/dbraw/zinc/38/03/92/181380392.db2.gz OCBCKOSBGMUYDI-STQMWFEESA-N -1 0 319.426 3.794 50 0 DHAARM Cc1ccccc1-c1cccc(-c2cn([C@@H](C)C(=O)[O-])nn2)c1 ZINC000091677841 193090696 /nfs/dbraw/zinc/09/06/96/193090696.db2.gz BAFQBNKDHMSZSI-ZDUSSCGKSA-N -1 0 307.353 3.566 50 0 DHAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2C(=O)[O-] ZINC000257346545 203068195 /nfs/dbraw/zinc/06/81/95/203068195.db2.gz PMVFYJLNDAMKPJ-BXXLAGKGSA-N -1 0 316.441 3.931 50 0 DHAARM O=c1cc([O-])c2sc(SCc3ccccc3Cl)nc2[nH]1 ZINC000012375580 181752948 /nfs/dbraw/zinc/75/29/48/181752948.db2.gz BLRJGVNGGPXPQH-UHFFFAOYSA-N -1 0 324.814 3.636 50 0 DHAARM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000012778513 181796346 /nfs/dbraw/zinc/79/63/46/181796346.db2.gz XNXFQRSHTYSFMO-ZDUSSCGKSA-N -1 0 317.429 3.634 50 0 DHAARM [O-]c1c(Br)cc(C(F)(F)F)cc1Br ZINC000015442656 182002619 /nfs/dbraw/zinc/00/26/19/182002619.db2.gz IEMNQLAXBXXIKT-UHFFFAOYSA-N -1 0 319.902 3.936 50 0 DHAARM O=C([O-])c1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn21 ZINC000020605754 182238003 /nfs/dbraw/zinc/23/80/03/182238003.db2.gz OCKYXVAGPDKBOC-UHFFFAOYSA-N -1 0 315.332 3.762 50 0 DHAARM CCn1c2ccccc2nc1[C@H](CNc1ccccc1)CC(=O)[O-] ZINC000023135641 182349821 /nfs/dbraw/zinc/34/98/21/182349821.db2.gz VTGGCLUHJYGXDN-AWEZNQCLSA-N -1 0 323.396 3.727 50 0 DHAARM O=C([O-])c1cccnc1SCc1cc(-c2ccccc2)no1 ZINC000024926895 182395449 /nfs/dbraw/zinc/39/54/49/182395449.db2.gz HGPHSGQXPDUIGX-UHFFFAOYSA-N -1 0 312.350 3.727 50 0 DHAARM O=C([O-])c1cccc(NCc2cccc(Br)c2)c1 ZINC000032204510 182637862 /nfs/dbraw/zinc/63/78/62/182637862.db2.gz BZXMXSLGKKKTCE-UHFFFAOYSA-N -1 0 306.159 3.759 50 0 DHAARM CCOc1ccc(-n2c(Cc3cccs3)n[n-]c2=S)cc1 ZINC000036724629 182837800 /nfs/dbraw/zinc/83/78/00/182837800.db2.gz DBWODRHDZGTNDV-UHFFFAOYSA-N -1 0 317.439 3.981 50 0 DHAARM Cc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000040165615 183042593 /nfs/dbraw/zinc/04/25/93/183042593.db2.gz OCKSKSHHKBDCFA-UHFFFAOYSA-N -1 0 311.238 3.568 50 0 DHAARM CCCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCCC2 ZINC000041128007 183169702 /nfs/dbraw/zinc/16/97/02/183169702.db2.gz NSFNGIGNFUNVPH-INIZCTEOSA-N -1 0 315.413 3.814 50 0 DHAARM O=C([O-])[C@@H]1CC[C@H](CC(=O)c2ccccc2Br)C1 ZINC000043879076 183388550 /nfs/dbraw/zinc/38/85/50/183388550.db2.gz IZQLUQUCUBIXLN-VHSXEESVSA-N -1 0 311.175 3.523 50 0 DHAARM CCCOc1cc(C)ccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000055150523 183966979 /nfs/dbraw/zinc/96/69/79/183966979.db2.gz KHZUJRRSIDZOJA-UHFFFAOYSA-N -1 0 307.390 3.613 50 0 DHAARM CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCCC2 ZINC000062715969 184250391 /nfs/dbraw/zinc/25/03/91/184250391.db2.gz DDBQDAAACTYCSA-BBRMVZONSA-N -1 0 315.413 3.812 50 0 DHAARM CSc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000003364081 256516368 /nfs/dbraw/zinc/51/63/68/256516368.db2.gz DEBIWMOOMYVZIH-UHFFFAOYSA-N -1 0 313.831 3.863 50 0 DHAARM Cc1ccc(N2C(=O)CC[C@@H](C(=O)[O-])[C@H]2c2cccs2)cc1 ZINC000003888165 134456231 /nfs/dbraw/zinc/45/62/31/134456231.db2.gz KIQDHOPFZJKODK-CJNGLKHVSA-N -1 0 315.394 3.625 50 0 DHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000262282370 341518009 /nfs/dbraw/zinc/51/80/09/341518009.db2.gz YULQIVACAYJWTF-LBPRGKRZSA-N -1 0 317.410 3.618 50 0 DHAARM O=C([O-])CCS[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000019909864 563695675 /nfs/dbraw/zinc/69/56/75/563695675.db2.gz BBYYKWWXVFHPOI-LBPRGKRZSA-N -1 0 303.305 3.979 50 0 DHAARM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000041125 563211531 /nfs/dbraw/zinc/21/15/31/563211531.db2.gz LLSAQUAKECRTPM-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM Cc1cc([O-])c(C(=O)c2cnn(-c3ccccc3)c2)cc1Cl ZINC000000057706 563212014 /nfs/dbraw/zinc/21/20/14/563212014.db2.gz DVYUVBRFHARCRS-UHFFFAOYSA-N -1 0 312.756 3.771 50 0 DHAARM Cc1oc(CC(C)C)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000090250 563215835 /nfs/dbraw/zinc/21/58/35/563215835.db2.gz YJDYOVSWAKACAL-UHFFFAOYSA-N -1 0 301.342 3.737 50 0 DHAARM O=C([O-])c1ccccc1C(=O)NCc1csc2ccccc12 ZINC000000102848 563217541 /nfs/dbraw/zinc/21/75/41/563217541.db2.gz OLRNMXZSWHQKRH-UHFFFAOYSA-N -1 0 311.362 3.530 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000247244 563233573 /nfs/dbraw/zinc/23/35/73/563233573.db2.gz SFAPSABTALYGPK-UHFFFAOYSA-N -1 0 319.426 3.811 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000000462302 563259082 /nfs/dbraw/zinc/25/90/82/563259082.db2.gz GBQPOLYRNCZNHN-UHFFFAOYSA-N -1 0 323.439 3.608 50 0 DHAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc3ccccc3c2)cc1 ZINC000000566938 563267186 /nfs/dbraw/zinc/26/71/86/563267186.db2.gz YESNMJLJKUVLGG-UHFFFAOYSA-N -1 0 324.401 3.805 50 0 DHAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000000610444 563268819 /nfs/dbraw/zinc/26/88/19/563268819.db2.gz CLAKDQAHAINKMS-UHFFFAOYSA-N -1 0 307.318 3.568 50 0 DHAARM Cc1cc(=O)oc2c(C)c(OCc3ccc(C(=O)[O-])cc3)ccc12 ZINC000000608937 563268517 /nfs/dbraw/zinc/26/85/17/563268517.db2.gz JOGWJRNUEUOPQY-UHFFFAOYSA-N -1 0 324.332 3.687 50 0 DHAARM O=C([O-])/C=C/c1cccc(Nc2cc(=O)oc3ccccc23)c1 ZINC000002109862 563300205 /nfs/dbraw/zinc/30/02/05/563300205.db2.gz ZWUJJKCQMSDQRB-CMDGGOBGSA-N -1 0 307.305 3.634 50 0 biogenic DHAARM COc1ccc(NCc2n[n-]c(=S)n2-c2ccccc2)cc1 ZINC000002544721 563308354 /nfs/dbraw/zinc/30/83/54/563308354.db2.gz XOJGKXJZIAJNOB-UHFFFAOYSA-N -1 0 312.398 3.551 50 0 DHAARM O=C([O-])c1cccc(COc2cccc(Br)c2)c1 ZINC000002578413 563309888 /nfs/dbraw/zinc/30/98/88/563309888.db2.gz AAHNOGQOOXVFDZ-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM O=C([O-])c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC000003223087 563323798 /nfs/dbraw/zinc/32/37/98/563323798.db2.gz WJCIEXIEFPHIGF-UHFFFAOYSA-N -1 0 321.442 3.706 50 0 DHAARM O=C([O-])c1cc(-c2ccco2)nc2cc(Br)ccc21 ZINC000006883849 563334425 /nfs/dbraw/zinc/33/44/25/563334425.db2.gz WSDSHNWSWAJPBY-UHFFFAOYSA-N -1 0 318.126 3.956 50 0 DHAARM O=C([O-])c1ccccc1OCc1ccc(Br)cc1 ZINC000007603926 563340084 /nfs/dbraw/zinc/34/00/84/563340084.db2.gz JIMQJMGGQQATGZ-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1cc(C)ccc1C ZINC000002785434 563341860 /nfs/dbraw/zinc/34/18/60/563341860.db2.gz YNOOSPFCHJRKGK-UHFFFAOYSA-N -1 0 318.398 3.539 50 0 DHAARM O=C([O-])Cc1csc(Nc2ccccc2C(F)(F)F)n1 ZINC000008024885 563344124 /nfs/dbraw/zinc/34/41/24/563344124.db2.gz IISWEXBKCSVBSG-UHFFFAOYSA-N -1 0 302.277 3.533 50 0 DHAARM Cc1nc2[n-]c(C3CCCCC3)nn2c(=O)c1Cc1ccccc1 ZINC000008743005 563349882 /nfs/dbraw/zinc/34/98/82/563349882.db2.gz APKXQKQMZFKYRU-UHFFFAOYSA-N -1 0 322.412 3.777 50 0 DHAARM O=c1[nH]c(SCc2cccc3ccccc32)nc2c1CCC2 ZINC000011902999 563359961 /nfs/dbraw/zinc/35/99/61/563359961.db2.gz DNVICDMVLQIVAY-UHFFFAOYSA-N -1 0 308.406 3.704 50 0 DHAARM CCC(CC)N1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000012336304 563366035 /nfs/dbraw/zinc/36/60/35/563366035.db2.gz GSDOSNHMOWITKP-ZBFHGGJFSA-N -1 0 323.820 3.893 50 0 DHAARM Cc1nn(-c2ccccc2F)c2nc(C(C)C)cc(C(=O)[O-])c12 ZINC000012398013 563368523 /nfs/dbraw/zinc/36/85/23/563368523.db2.gz BXSUCJBFZBTLTD-UHFFFAOYSA-N -1 0 313.332 3.690 50 0 DHAARM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)N(C)c1ccccc1 ZINC000012976518 563376112 /nfs/dbraw/zinc/37/61/12/563376112.db2.gz AOQDLKNMCLIZBV-GFCCVEGCSA-N -1 0 315.394 3.528 50 0 DHAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2Cl)cc1 ZINC000013178443 563379712 /nfs/dbraw/zinc/37/97/12/563379712.db2.gz IPLZJWBGHILOKW-HNNXBMFYSA-N -1 0 317.772 3.594 50 0 DHAARM O=C([O-])[C@@H](CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000013250143 563379957 /nfs/dbraw/zinc/37/99/57/563379957.db2.gz RQQVHQUQDMFHEW-AWEZNQCLSA-N -1 0 303.745 3.537 50 0 DHAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccccc1Br ZINC000035778937 563454093 /nfs/dbraw/zinc/45/40/93/563454093.db2.gz QVOVBBCEYGAUMF-UHFFFAOYSA-N -1 0 315.170 3.590 50 0 DHAARM COc1ccc2c(C=O)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000045795943 563465496 /nfs/dbraw/zinc/46/54/96/563465496.db2.gz CTNYRULDKICVLE-UHFFFAOYSA-N -1 0 323.348 3.517 50 0 DHAARM Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)[O-])c12 ZINC000068576737 563495063 /nfs/dbraw/zinc/49/50/63/563495063.db2.gz YZWDPRPZKOKINM-UHFFFAOYSA-N -1 0 322.242 3.915 50 0 DHAARM CCOc1ccc(-c2ccnc(C[C@H](C)CC)n2)cc1C(=O)[O-] ZINC000077506126 563512063 /nfs/dbraw/zinc/51/20/63/563512063.db2.gz KTGNGWPVWYIKBR-GFCCVEGCSA-N -1 0 314.385 3.829 50 0 DHAARM Cc1cc(Nc2ccc(S(=O)(=O)[O-])cc2)nc2ccccc12 ZINC000098087204 563524733 /nfs/dbraw/zinc/52/47/33/563524733.db2.gz XMDHZJILMNFVOR-UHFFFAOYSA-N -1 0 314.366 3.534 50 0 DHAARM COCCN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CCCC1 ZINC000073029966 563615578 /nfs/dbraw/zinc/61/55/78/563615578.db2.gz CHPUOOZQOKCEOQ-UHFFFAOYSA-N -1 0 320.414 3.522 50 0 DHAARM COc1ccc(O)c(C(=O)C=C([O-])c2ccccc2Cl)c1 ZINC000100566010 563631753 /nfs/dbraw/zinc/63/17/53/563631753.db2.gz CWNMOKOGJVVKHE-UHFFFAOYSA-N -1 0 304.729 3.510 50 0 DHAARM Cc1ccc(C(=O)C[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000000517812 563661546 /nfs/dbraw/zinc/66/15/46/563661546.db2.gz YUHMKRQBVXAVHK-OAHLLOKOSA-N -1 0 307.349 3.918 50 0 DHAARM [O-]c1ccccc1-c1nc2ccccc2c(N2CCCCC2)n1 ZINC000000546347 563669433 /nfs/dbraw/zinc/66/94/33/563669433.db2.gz GRIPKBAHDMOGNK-UHFFFAOYSA-N -1 0 305.381 3.993 50 0 DHAARM Cc1cc2oc(-c3cc4ccccc4o3)c(CC(=O)[O-])c2c(=O)[nH]1 ZINC000604404180 563719046 /nfs/dbraw/zinc/71/90/46/563719046.db2.gz KORBTQFXNAHKRF-UHFFFAOYSA-N -1 0 323.304 3.882 50 0 DHAARM Cc1cc2n(n1)[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000000817654 563720549 /nfs/dbraw/zinc/72/05/49/563720549.db2.gz UJUBXJFGLIKHAW-QGZVFWFLSA-N -1 0 305.337 3.529 50 0 DHAARM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cc2ccccc2o1 ZINC000029010818 563757043 /nfs/dbraw/zinc/75/70/43/563757043.db2.gz MOCXJJCXYXBKIE-NSHDSACASA-N -1 0 303.358 3.501 50 0 DHAARM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(F)c1 ZINC000240900766 563776414 /nfs/dbraw/zinc/77/64/14/563776414.db2.gz ITRNTQRCSGLLRM-UHFFFAOYSA-N -1 0 323.389 3.560 50 0 DHAARM Cc1n[n-]sc1=NC(=O)OCc1ccc(Cl)cc1Cl ZINC000001394010 563817304 /nfs/dbraw/zinc/81/73/04/563817304.db2.gz AONPYKUKPRAVIV-UHFFFAOYSA-N -1 0 318.185 3.902 50 0 DHAARM CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000001429473 563823789 /nfs/dbraw/zinc/82/37/89/563823789.db2.gz JAKKJYAWIKDTQV-UHFFFAOYSA-N -1 0 313.353 3.640 50 0 DHAARM CC(C)(C)c1ccc(-c2nnc(-c3ccccc3N)[n-]c2=O)cc1 ZINC000075093427 563859922 /nfs/dbraw/zinc/85/99/22/563859922.db2.gz TVLKJRJKTHYZBA-UHFFFAOYSA-N -1 0 320.396 3.791 50 0 DHAARM O=C([O-])[C@H](Nc1ncnc2c3ccccc3oc21)c1ccccc1 ZINC000006927701 563899784 /nfs/dbraw/zinc/89/97/84/563899784.db2.gz WTPZBJWEILWBGY-CQSZACIVSA-N -1 0 319.320 3.614 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000013094971 563916548 /nfs/dbraw/zinc/91/65/48/563916548.db2.gz QTXWTCKVSMDZIQ-UHFFFAOYSA-N -1 0 309.243 3.656 50 0 DHAARM C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1cc(F)ccc1F ZINC000095963494 563932712 /nfs/dbraw/zinc/93/27/12/563932712.db2.gz UFBKEARLFYCLPC-SSDOTTSWSA-N -1 0 314.234 3.867 50 0 DHAARM O=C([O-])CC1(CC(=O)Nc2cccc3cnccc32)CCCC1 ZINC000003230791 563942926 /nfs/dbraw/zinc/94/29/26/563942926.db2.gz NPLWBROKMTVDGR-UHFFFAOYSA-N -1 0 312.369 3.599 50 0 DHAARM C=C(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2F)cc1 ZINC000033895397 563960253 /nfs/dbraw/zinc/96/02/53/563960253.db2.gz IAYOGZUDBMKUQS-UHFFFAOYSA-N -1 0 302.276 3.845 50 0 DHAARM C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccccc1Cl ZINC000035135352 957200111 /nfs/dbraw/zinc/20/01/11/957200111.db2.gz QQFRTXMPVBRLHM-JTQLQIEISA-N -1 0 303.745 3.529 50 0 DHAARM O=C([O-])c1ccc(-c2cn3cccc(C(F)(F)F)c3n2)cc1 ZINC000575442738 1017559386 /nfs/dbraw/zinc/55/93/86/1017559386.db2.gz QDYUJNPFIKGZFI-UHFFFAOYSA-N -1 0 306.243 3.718 50 0 DHAARM CCc1c(C)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n2c1=O ZINC000006606205 1032852165 /nfs/dbraw/zinc/85/21/65/1032852165.db2.gz VIZIFHIKALDREX-UHFFFAOYSA-N -1 0 321.302 3.579 50 0 DHAARM Cc1cc(OCc2ccc(F)cc2)nc(-c2ccccc2[O-])n1 ZINC000013126623 1020040737 /nfs/dbraw/zinc/04/07/37/1020040737.db2.gz XCSNIRGZWNEWHW-UHFFFAOYSA-N -1 0 310.328 3.876 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000005948051 1024501695 /nfs/dbraw/zinc/50/16/95/1024501695.db2.gz UUULSUUNXGCFDC-ROUUACIJSA-N -1 0 321.376 3.959 50 0 DHAARM O=C([O-])c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)F ZINC000078870110 185121069 /nfs/dbraw/zinc/12/10/69/185121069.db2.gz NFUVPXZDMFZTEG-UHFFFAOYSA-N -1 0 306.190 3.527 50 0 DHAARM CC(C)Cc1noc(-c2ccc(-c3ccccc3C(=O)[O-])nc2)n1 ZINC000072128108 191043014 /nfs/dbraw/zinc/04/30/14/191043014.db2.gz BOLJHBATSADWTD-UHFFFAOYSA-N -1 0 323.352 3.695 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1C ZINC000072414232 191155497 /nfs/dbraw/zinc/15/54/97/191155497.db2.gz SYWBDUVBSWJCOO-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM Cc1nccc(-c2ccccc2)c1C(=O)[N-]C(=O)OC(C)(C)C ZINC000072447058 191169025 /nfs/dbraw/zinc/16/90/25/191169025.db2.gz NWDCHIXIAPTXAM-UHFFFAOYSA-N -1 0 312.369 3.722 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000298312 180750815 /nfs/dbraw/zinc/75/08/15/180750815.db2.gz GBALWYGHLDPXRV-VHSXEESVSA-N -1 0 314.168 3.599 50 0 DHAARM O=C([O-])[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000002046445 180907772 /nfs/dbraw/zinc/90/77/72/180907772.db2.gz ILNJEWHIQWUICA-LJQANCHMSA-N -1 0 318.372 3.791 50 0 DHAARM CCCCCCC1CCC(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000003895909 181053777 /nfs/dbraw/zinc/05/37/77/181053777.db2.gz CWHOYXWRJCYYAT-UYSNPLJNSA-N -1 0 311.466 3.989 50 0 DHAARM CCOC(=O)c1csc([N-]c2nc3ccc(F)cc3s2)n1 ZINC000004119056 181076087 /nfs/dbraw/zinc/07/60/87/181076087.db2.gz PFXBXBZLBKMJQA-UHFFFAOYSA-N -1 0 323.374 3.812 50 0 DHAARM O=C([O-])c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000004237884 181086931 /nfs/dbraw/zinc/08/69/31/181086931.db2.gz IBFRNWNJNFZWRH-UHFFFAOYSA-N -1 0 312.272 3.804 50 0 DHAARM O=C([O-])c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000004294505 181093630 /nfs/dbraw/zinc/09/36/30/181093630.db2.gz JQBBRZLWPLOUEI-UHFFFAOYSA-N -1 0 319.364 3.874 50 0 DHAARM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccc2ccccc2c1 ZINC000004439782 181109878 /nfs/dbraw/zinc/10/98/78/181109878.db2.gz BEROWXFCKFZECS-UHFFFAOYSA-N -1 0 323.377 3.517 50 0 DHAARM CSc1nc(=NC(=O)OCc2ccc(Cl)cc2)s[n-]1 ZINC000004512271 181118461 /nfs/dbraw/zinc/11/84/61/181118461.db2.gz YVGHYTNGNSVZKV-UHFFFAOYSA-N -1 0 315.807 3.662 50 0 DHAARM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000004619526 181130005 /nfs/dbraw/zinc/13/00/05/181130005.db2.gz GHOKZEBBOXYXCB-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM O=C([O-])c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCC2 ZINC000004899186 181170503 /nfs/dbraw/zinc/17/05/03/181170503.db2.gz QEECFVCLPVGLCD-UHFFFAOYSA-N -1 0 321.785 3.841 50 0 DHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)CCCc1ccccc1 ZINC000004906761 181171158 /nfs/dbraw/zinc/17/11/58/181171158.db2.gz PYUDBHOFDMPYHA-UHFFFAOYSA-N -1 0 317.772 4.000 50 0 DHAARM CC(C)(C)c1nnc(Nc2cc(Cl)cc(Cl)c2)[n-]c1=O ZINC000005154433 181211228 /nfs/dbraw/zinc/21/12/28/181211228.db2.gz OOQMKORISFXVAD-UHFFFAOYSA-N -1 0 313.188 3.513 50 0 DHAARM Nc1nc(/C=C/c2ccccc2Cl)nc(-c2ccccc2[O-])n1 ZINC000005274340 181225861 /nfs/dbraw/zinc/22/58/61/181225861.db2.gz VUZMILIMLHLBFJ-MDZDMXLPSA-N -1 0 324.771 3.650 50 0 DHAARM CC[C@H](C)N(CC(=O)[O-])Cc1csc(-c2ccc(F)cc2)n1 ZINC000236965867 202098698 /nfs/dbraw/zinc/09/86/98/202098698.db2.gz FYMLWWMDXDSEHH-NSHDSACASA-N -1 0 322.405 3.634 50 0 DHAARM O=C([O-])c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1Cl ZINC000179234266 199002626 /nfs/dbraw/zinc/00/26/26/199002626.db2.gz PKNYQCOXKBFBEK-UHFFFAOYSA-N -1 0 317.719 3.802 50 0 DHAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000006667405 181368231 /nfs/dbraw/zinc/36/82/31/181368231.db2.gz QUWPZYBCEHNTER-UHFFFAOYSA-N -1 0 319.389 3.956 50 0 DHAARM Cc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cc1C(=O)[O-] ZINC000261494979 203073807 /nfs/dbraw/zinc/07/38/07/203073807.db2.gz ZHFRDQAZPOOPLB-UHFFFAOYSA-N -1 0 316.666 3.822 50 0 DHAARM CCC(CC)(CC(=O)Nc1cc(Cl)ccc1F)C(=O)[O-] ZINC000011263259 181687992 /nfs/dbraw/zinc/68/79/92/181687992.db2.gz HRTPZJRCMOORHW-UHFFFAOYSA-N -1 0 301.745 3.699 50 0 DHAARM Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000012656234 181786162 /nfs/dbraw/zinc/78/61/62/181786162.db2.gz LDMSUNMGOMPXHB-GDNBJRDFSA-N -1 0 315.756 3.504 50 0 DHAARM O=C([O-])[C@@H](CCc1ccc(Br)cc1)C(F)(F)F ZINC000016159513 182035664 /nfs/dbraw/zinc/03/56/64/182035664.db2.gz PCMHAMVZYDCSMG-SECBINFHSA-N -1 0 311.097 3.645 50 0 DHAARM Cc1ccc(NC[C@H](CC(=O)[O-])c2nc3ccccc3[nH]2)cc1C ZINC000017052876 182071231 /nfs/dbraw/zinc/07/12/31/182071231.db2.gz JMVWGAXQZNKQGR-AWEZNQCLSA-N -1 0 323.396 3.850 50 0 DHAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccccc3F)c12 ZINC000020328298 182208312 /nfs/dbraw/zinc/20/83/12/182208312.db2.gz OAFNLUKMOUDJIV-UHFFFAOYSA-N -1 0 303.318 3.581 50 0 DHAARM COc1cccc(-c2noc([N-]c3cccc(C(C)=O)c3)n2)c1 ZINC000020996842 182257906 /nfs/dbraw/zinc/25/79/06/182257906.db2.gz NBZFVWCELRNLDG-UHFFFAOYSA-N -1 0 309.325 3.691 50 0 DHAARM CCOC(=O)c1c(C)n(C)c2c1cc(Cl)c([O-])c2Cl ZINC000022014537 182303816 /nfs/dbraw/zinc/30/38/16/182303816.db2.gz IHAYDNBLPBFNFM-UHFFFAOYSA-N -1 0 302.157 3.676 50 0 DHAARM Cc1sc(-c2ccncc2)nc1-c1ccc(CC(=O)[O-])cc1 ZINC000028522230 182526477 /nfs/dbraw/zinc/52/64/77/182526477.db2.gz MXGRPJNYSWLGRH-UHFFFAOYSA-N -1 0 310.378 3.808 50 0 DHAARM CCC[C@@H](CC(=O)[O-])c1cc(Br)ccc1OC ZINC000036178853 182807781 /nfs/dbraw/zinc/80/77/81/182807781.db2.gz OUFKCUDWVWMBHK-VIFPVBQESA-N -1 0 301.180 3.816 50 0 DHAARM CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000066323352 184402788 /nfs/dbraw/zinc/40/27/88/184402788.db2.gz CBEIZKWGLSBXSD-UHFFFAOYSA-N -1 0 310.275 3.532 50 0 DHAARM Cc1nc(=N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)s[n-]1 ZINC000408518478 257255340 /nfs/dbraw/zinc/25/53/40/257255340.db2.gz JWTVOUYDFAZDEJ-YFKPBYRVSA-N -1 0 322.743 3.509 50 0 DHAARM Cc1nnc(SCCCCCCCCCCC(=O)[O-])n1C ZINC000072408197 257270799 /nfs/dbraw/zinc/27/07/99/257270799.db2.gz MHIYYWPYBQLUJF-UHFFFAOYSA-N -1 0 313.467 3.811 50 0 DHAARM CCCn1c(=O)cc(Nc2ccccc2C(=O)[O-])c2ccccc21 ZINC000137882654 196580904 /nfs/dbraw/zinc/58/09/04/196580904.db2.gz LHQXAYJZCJACHW-UHFFFAOYSA-N -1 0 322.364 3.853 50 0 DHAARM CC[C@@H](CCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000008739007 431411407 /nfs/dbraw/zinc/41/14/07/431411407.db2.gz ZHOYHGKJOTWIGC-NSHDSACASA-N -1 0 318.398 3.640 50 0 DHAARM CCC(CC)C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221032481 563582794 /nfs/dbraw/zinc/58/27/94/563582794.db2.gz KSTJLTJITQNUBD-KBPBESRZSA-N -1 0 313.438 3.913 50 0 DHAARM CC(C)(C)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013012667 563654880 /nfs/dbraw/zinc/65/48/80/563654880.db2.gz GJWVNCAEGZOABK-STQMWFEESA-N -1 0 301.386 3.590 50 0 DHAARM O=C([O-])CP(OCc1ccccc1)OCc1ccccc1 ZINC000096395022 563768917 /nfs/dbraw/zinc/76/89/17/563768917.db2.gz NMTHXDDFIFNXJQ-UHFFFAOYSA-N -1 0 304.282 3.817 50 0 DHAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccccc1 ZINC000000354028 563243632 /nfs/dbraw/zinc/24/36/32/563243632.db2.gz MWGOFRFIJLXDEW-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cccs1 ZINC000000039134 563211574 /nfs/dbraw/zinc/21/15/74/563211574.db2.gz STKYCWSHQOPLDN-UHFFFAOYSA-N -1 0 307.318 3.568 50 0 DHAARM Cc1cccc2c1N1C(=O)c3c(cccc3C(=O)[O-])[C@@H]1C[C@@H]2C ZINC000000377038 563247547 /nfs/dbraw/zinc/24/75/47/563247547.db2.gz FWIJUQKNNLLVQY-NHYWBVRUSA-N -1 0 307.349 3.902 50 0 DHAARM Cc1cc(COc2ccc(CC(=O)[O-])cc2)ccc1OC(C)C ZINC000000395706 563249950 /nfs/dbraw/zinc/24/99/50/563249950.db2.gz VZHRBOVCJNRDOM-UHFFFAOYSA-N -1 0 314.381 3.988 50 0 DHAARM O=S(=O)([N-]c1ccccn1)c1ccc(Cl)c2ccccc21 ZINC000000452272 563256863 /nfs/dbraw/zinc/25/68/63/563256863.db2.gz QOZADSWVTBGRKS-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM Cc1ccc(N[C@@H](CC(=O)c2ccccc2)C(=O)[O-])cc1Cl ZINC000000521050 563264164 /nfs/dbraw/zinc/26/41/64/563264164.db2.gz CWDARYKLTKILHM-HNNXBMFYSA-N -1 0 317.772 3.787 50 0 DHAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000002576124 563309812 /nfs/dbraw/zinc/30/98/12/563309812.db2.gz UMIXQOHZODWWEI-SNVBAGLBSA-N -1 0 320.172 3.644 50 0 DHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000002890968 563316752 /nfs/dbraw/zinc/31/67/52/563316752.db2.gz MYINHWICCOMQQH-UHFFFAOYSA-N -1 0 319.426 3.928 50 0 DHAARM Cc1ccc(N2C(=O)CC[C@H](C(=O)[O-])[C@@H]2c2cccs2)cc1 ZINC000003888168 563326209 /nfs/dbraw/zinc/32/62/09/563326209.db2.gz KIQDHOPFZJKODK-XJKSGUPXSA-N -1 0 315.394 3.625 50 0 DHAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000008557496 563348063 /nfs/dbraw/zinc/34/80/63/563348063.db2.gz KQEJQDVPWNGRDX-UHFFFAOYSA-N -1 0 324.833 3.833 50 0 DHAARM O=C([O-])[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000011887825 563360170 /nfs/dbraw/zinc/36/01/70/563360170.db2.gz ZQWOGBQVPWTKDG-ZDUSSCGKSA-N -1 0 307.143 3.654 50 0 DHAARM O=C([O-])c1ccc(Br)c(OCc2ccccc2)c1 ZINC000012471588 563370042 /nfs/dbraw/zinc/37/00/42/563370042.db2.gz KZTGRPMLINNFLJ-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM CCN(CC)c1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000013127683 563378587 /nfs/dbraw/zinc/37/85/87/563378587.db2.gz KQGLFHXAVFFSFH-UHFFFAOYSA-N -1 0 323.396 3.857 50 0 DHAARM O=c1cc(C(F)(F)F)nc(-c2ccccc2OC(F)(F)F)[n-]1 ZINC000013469553 563381873 /nfs/dbraw/zinc/38/18/73/563381873.db2.gz QQZYZWBBTWMMOI-UHFFFAOYSA-N -1 0 324.180 3.767 50 0 DHAARM CC[C@](C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1F ZINC000014135755 563396486 /nfs/dbraw/zinc/39/64/86/563396486.db2.gz ORWVJTMTAXAABQ-AWEZNQCLSA-N -1 0 301.745 3.699 50 0 DHAARM CCOC(=O)c1ccc([N-]c2nc(-c3ccccc3)no2)cc1 ZINC000071928065 563411501 /nfs/dbraw/zinc/41/15/01/563411501.db2.gz GHHBAYNBRGHRBM-UHFFFAOYSA-N -1 0 309.325 3.657 50 0 DHAARM O=C([O-])c1cccc(-c2ccc(I)cc2)c1 ZINC000034440527 563448887 /nfs/dbraw/zinc/44/88/87/563448887.db2.gz XMIVQLVJWMCPDK-UHFFFAOYSA-N -1 0 324.117 3.656 50 0 DHAARM CCCCCCSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1 ZINC000002885689 563449832 /nfs/dbraw/zinc/44/98/32/563449832.db2.gz YTURXCDJXUCHLE-UHFFFAOYSA-N -1 0 318.442 3.739 50 0 DHAARM C[C@H](c1ccccc1)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000000031898 563505480 /nfs/dbraw/zinc/50/54/80/563505480.db2.gz UAJHBFHNGNEZJR-MLGOLLRUSA-N -1 0 315.344 3.659 50 0 DHAARM O=C(Nc1ncc(Cc2ccccc2)s1)c1ccccc1O ZINC000011639272 563539412 /nfs/dbraw/zinc/53/94/12/563539412.db2.gz KKZPRMZRDZCRAF-UHFFFAOYSA-N -1 0 310.378 3.692 50 0 DHAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](c2ccccc2)CC1 ZINC000100018546 563544537 /nfs/dbraw/zinc/54/45/37/563544537.db2.gz MCJLMTMOGBGTAS-PPUGGXLSSA-N -1 0 319.401 3.692 50 0 DHAARM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000000108920 563570199 /nfs/dbraw/zinc/57/01/99/563570199.db2.gz QHNXSCBASNPKPN-OAHLLOKOSA-N -1 0 317.772 3.594 50 0 DHAARM Cc1sc(NC(=O)CCCC(=O)[O-])nc1-c1ccc(C)cc1 ZINC000000373304 563591456 /nfs/dbraw/zinc/59/14/56/563591456.db2.gz MUQKRTHMCBARHM-UHFFFAOYSA-N -1 0 318.398 3.620 50 0 DHAARM O=C(Cc1nc2ccccc2[nH]1)c1cc(Cl)c([O-])cc1O ZINC000100656944 563597785 /nfs/dbraw/zinc/59/77/85/563597785.db2.gz ZEXWKVHBKSSOGU-QPEQYQDCSA-N -1 0 302.717 3.684 50 0 DHAARM O=C([O-])[C@H]1CCCN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000238102053 563598236 /nfs/dbraw/zinc/59/82/36/563598236.db2.gz LFIJCWKZMVRRGI-CYBMUJFWSA-N -1 0 322.817 3.513 50 0 DHAARM Cc1nc2ccc(NC(=O)CC3(C(=O)[O-])CCCC3)cc2s1 ZINC000013249547 563657858 /nfs/dbraw/zinc/65/78/58/563657858.db2.gz QACRYUBHCZLWEN-UHFFFAOYSA-N -1 0 318.398 3.578 50 0 DHAARM Cc1nc(-c2cc(Cl)ccc2OC(C)C)c(Cl)c(=O)[n-]1 ZINC000216158392 563707936 /nfs/dbraw/zinc/70/79/36/563707936.db2.gz HSGTWSIILXEIHZ-UHFFFAOYSA-N -1 0 313.184 3.839 50 0 DHAARM Cc1n[n-]sc1=NC(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000001392282 563817473 /nfs/dbraw/zinc/81/74/73/563817473.db2.gz IXKDSEPYQIEOFW-UHFFFAOYSA-N -1 0 305.403 3.893 50 0 DHAARM Cc1cccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)[O-])c1 ZINC000012759173 563824930 /nfs/dbraw/zinc/82/49/30/563824930.db2.gz XUWJIYFLAJTXKI-GFCCVEGCSA-N -1 0 315.394 3.813 50 0 DHAARM C[C@H]1CCCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)C1 ZINC000064588990 563890331 /nfs/dbraw/zinc/89/03/31/563890331.db2.gz OXKWRBKGPJCQRY-LBPRGKRZSA-N -1 0 318.417 3.606 50 0 DHAARM CC(C)(CC(=O)Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-] ZINC000169987589 563902331 /nfs/dbraw/zinc/90/23/31/563902331.db2.gz WTXXSWPHJYIWBO-UHFFFAOYSA-N -1 0 318.398 3.613 50 0 DHAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000007409058 563905987 /nfs/dbraw/zinc/90/59/87/563905987.db2.gz WNCHOZORXNXZPO-UHFFFAOYSA-N -1 0 315.316 3.522 50 0 DHAARM O=C([O-])c1ccccc1N=NC(c1ccccc1)c1ccncc1 ZINC000003909169 563909674 /nfs/dbraw/zinc/90/96/74/563909674.db2.gz OFAFTBUBAMAJLS-PYCFMQQDSA-N -1 0 317.348 3.644 50 0 DHAARM Cc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000012348113 563926415 /nfs/dbraw/zinc/92/64/15/563926415.db2.gz GLLDWAGGOTYUJU-UHFFFAOYSA-N -1 0 303.745 3.528 50 0 DHAARM CC(C)(C)c1ncsc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000095989560 563934163 /nfs/dbraw/zinc/93/41/63/563934163.db2.gz RFAAZUOXIPNKCE-UHFFFAOYSA-N -1 0 322.361 3.530 50 0 DHAARM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ncc[nH]2)C1 ZINC000096310778 563936343 /nfs/dbraw/zinc/93/63/43/563936343.db2.gz FGBNZXYHHOOLPM-OCUQMRJBSA-N -1 0 319.364 3.779 50 0 DHAARM CC(C)c1nc(/C=C/C2=Cc3ccccc3OC2)ncc1C(=O)[O-] ZINC000069927000 563955441 /nfs/dbraw/zinc/95/54/41/563955441.db2.gz COJPRVAJAMRKLC-BQYQJAHWSA-N -1 0 322.364 3.787 50 0 DHAARM Cc1cc(C(=O)C=S([O-])c2ccc(Cl)cc2)cc(C)c1O ZINC000004489552 568412496 /nfs/dbraw/zinc/41/24/96/568412496.db2.gz UKOMYYLJWKQJPT-NRFANRHFSA-N -1 0 322.813 3.653 50 0 DHAARM Fc1c([S-])cc(Br)c(F)c1Br ZINC000263625392 568417229 /nfs/dbraw/zinc/41/72/29/568417229.db2.gz ZMIARGJREZIHLW-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc2ccccc2[nH]1 ZINC000102089554 1021921638 /nfs/dbraw/zinc/92/16/38/1021921638.db2.gz HOGKCFHIQQYQBD-UHFFFAOYSA-N -1 0 322.393 3.914 50 0 DHAARM O=C([O-])/C=C\c1ccc(NC(=O)c2cccc3cc[nH]c32)cc1 ZINC000321547992 1024954307 /nfs/dbraw/zinc/95/43/07/1024954307.db2.gz ROMVRBWWHKVNPE-TWGQIWQCSA-N -1 0 306.321 3.518 50 0 DHAARM O=c1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)[n-]n21 ZINC000108166145 1025665004 /nfs/dbraw/zinc/66/50/04/1025665004.db2.gz HZPCXEYQLTXKGE-UHFFFAOYSA-N -1 0 305.312 3.908 50 0 DHAARM CCc1sc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1C ZINC000012992810 1029958899 /nfs/dbraw/zinc/95/88/99/1029958899.db2.gz JUYCRHQTGLLQIR-RMKNXTFCSA-N -1 0 315.394 3.969 50 0 DHAARM CCCCC(=O)Nc1ccc(N(C)CCCC)c(C(=O)[O-])c1 ZINC000046053318 1039061576 /nfs/dbraw/zinc/06/15/76/1039061576.db2.gz LNNKZQQWGUVMJA-UHFFFAOYSA-N -1 0 306.406 3.750 50 0 DHAARM O=C([O-])c1ccccc1C(=O)O[C@H](c1ccccc1)C(F)(F)F ZINC000001571028 180874124 /nfs/dbraw/zinc/87/41/24/180874124.db2.gz SQHLLFOWMYBRLG-CYBMUJFWSA-N -1 0 324.254 3.845 50 0 DHAARM CC[C@H](c1cccc(C(=O)[O-])c1)[C@@H](C(C)=O)c1ccc(O)cc1 ZINC000001602625 180877985 /nfs/dbraw/zinc/87/79/85/180877985.db2.gz SQTDYMQRTGUSGR-MSOLQXFVSA-N -1 0 312.365 3.957 50 0 in-vitro DHAARM CC(C)(C)OC(=O)N1CCC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000002553930 180934327 /nfs/dbraw/zinc/93/43/27/180934327.db2.gz IJJPVMBONQLUCI-AWEZNQCLSA-N -1 0 319.401 3.574 50 0 DHAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000003532628 181030485 /nfs/dbraw/zinc/03/04/85/181030485.db2.gz UCPMCRKFTQBFGZ-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000003581493 181036994 /nfs/dbraw/zinc/03/69/94/181036994.db2.gz WGYGBJRNLINQGE-UHFFFAOYSA-N -1 0 305.399 3.503 50 0 DHAARM O=C([O-])C[C@H](c1ccc(Cl)cc1)N1Cc2ccccc2C1=O ZINC000003855942 181050297 /nfs/dbraw/zinc/05/02/97/181050297.db2.gz JTWQKGBPZUZCAC-OAHLLOKOSA-N -1 0 315.756 3.512 50 0 DHAARM COc1ccc2sc([N-]c3nnc(-c4ccco4)o3)nc2c1 ZINC000004359832 181102789 /nfs/dbraw/zinc/10/27/89/181102789.db2.gz XFDYULPOZFUZII-UHFFFAOYSA-N -1 0 314.326 3.692 50 0 DHAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000004593181 181127928 /nfs/dbraw/zinc/12/79/28/181127928.db2.gz VVOPBLKAFSPAOG-UHFFFAOYSA-N -1 0 319.744 3.936 50 0 DHAARM Cc1sc(NC(=O)c2ccccc2Cl)c(C(=O)[O-])c1C ZINC000004648115 181131627 /nfs/dbraw/zinc/13/16/27/181131627.db2.gz WAEIENGOLBFTBV-UHFFFAOYSA-N -1 0 309.774 3.969 50 0 DHAARM O=C([O-])C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1 ZINC000004754530 181148387 /nfs/dbraw/zinc/14/83/87/181148387.db2.gz NVYDBMSBAHKKRE-UHFFFAOYSA-N -1 0 304.345 3.811 50 0 DHAARM Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004776629 181151263 /nfs/dbraw/zinc/15/12/63/181151263.db2.gz FVRMMCXBUXORMU-UHFFFAOYSA-N -1 0 304.733 3.991 50 0 DHAARM CC[C@@H](C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000005254781 181222420 /nfs/dbraw/zinc/22/24/20/181222420.db2.gz RPTNPRGIWVXONY-HQJQHLMTSA-N -1 0 319.188 3.614 50 0 DHAARM O=c1cc(-c2cccnc2)[n-]n1-c1ccc(Cl)cc1Cl ZINC000005344512 181232559 /nfs/dbraw/zinc/23/25/59/181232559.db2.gz GZIBEOWLEWTUAY-UHFFFAOYSA-N -1 0 306.152 3.529 50 0 DHAARM CCCc1cc2c(cc1[O-])occ(-c1ccc3c(c1)OCO3)c2=O ZINC000005686284 181272273 /nfs/dbraw/zinc/27/22/73/181272273.db2.gz URVMBLYPJHCNDT-UHFFFAOYSA-N -1 0 324.332 3.847 50 0 biogenic DHAARM CCOCc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21 ZINC000005903849 181294326 /nfs/dbraw/zinc/29/43/26/181294326.db2.gz IPGRDEYZQGTHBR-UHFFFAOYSA-N -1 0 312.321 3.827 50 0 biogenic DHAARM CCOc1ccc(Oc2c(C)oc3cc([O-])ccc3c2=O)cc1 ZINC000005906618 181294964 /nfs/dbraw/zinc/29/49/64/181294964.db2.gz GBWNFRWGWDHFBF-UHFFFAOYSA-N -1 0 312.321 3.998 50 0 DHAARM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000089558847 192815746 /nfs/dbraw/zinc/81/57/46/192815746.db2.gz IFCKKSBNFKOBFT-UHFFFAOYSA-N -1 0 322.361 3.665 50 0 DHAARM C[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1F ZINC000237521763 202270530 /nfs/dbraw/zinc/27/05/30/202270530.db2.gz KQHGMJCTJRMUQB-ZIAGYGMSSA-N -1 0 321.392 3.565 50 0 DHAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006241098 181321795 /nfs/dbraw/zinc/32/17/95/181321795.db2.gz HGBUHVFNDKCSSD-ZDUSSCGKSA-N -1 0 317.772 3.612 50 0 DHAARM Cc1ccc(Cl)cc1N[C@H](CC(=O)c1ccccc1)C(=O)[O-] ZINC000006278574 181325451 /nfs/dbraw/zinc/32/54/51/181325451.db2.gz IIJIENAIMABCRW-OAHLLOKOSA-N -1 0 317.772 3.787 50 0 DHAARM CSc1ccccc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000006740962 181380521 /nfs/dbraw/zinc/38/05/21/181380521.db2.gz OCBCKOSBGMUYDI-QWHCGFSZSA-N -1 0 319.426 3.794 50 0 DHAARM CN(C)c1ncc(C(F)(F)F)cc1-c1cccc(C(=O)[O-])c1 ZINC000091695917 193094252 /nfs/dbraw/zinc/09/42/52/193094252.db2.gz WGFJTMGJNYCYFC-UHFFFAOYSA-N -1 0 310.275 3.532 50 0 DHAARM CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000007885543 181504660 /nfs/dbraw/zinc/50/46/60/181504660.db2.gz RVNULUDMUBBQFC-SJKOYZFVSA-N -1 0 324.380 3.750 50 0 DHAARM O=C([O-])c1ccccc1SCc1nc(-c2cccs2)no1 ZINC000012750347 181792601 /nfs/dbraw/zinc/79/26/01/181792601.db2.gz RRGXDJDMEZVPHF-UHFFFAOYSA-N -1 0 318.379 3.789 50 0 DHAARM COc1ccc(OC)c(-c2noc([N-]c3cccc(F)c3)n2)c1 ZINC000015770804 182015748 /nfs/dbraw/zinc/01/57/48/182015748.db2.gz QNXWINQKWBHYEE-UHFFFAOYSA-N -1 0 315.304 3.637 50 0 DHAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000016129934 182034927 /nfs/dbraw/zinc/03/49/27/182034927.db2.gz AXRXMXCRFIOWGG-UHFFFAOYSA-N -1 0 321.707 3.558 50 0 DHAARM O=C([O-])CSCC(=O)NC1CCCCCCCCCCC1 ZINC000017053549 182071774 /nfs/dbraw/zinc/07/17/74/182071774.db2.gz STVFBAFXGAWBTB-UHFFFAOYSA-N -1 0 315.479 3.594 50 0 DHAARM O=c1c2ccccc2[n-]c(=S)n1CCc1cccc(Cl)c1 ZINC000017054105 182072201 /nfs/dbraw/zinc/07/22/01/182072201.db2.gz WSLOPSNFHPPHOJ-UHFFFAOYSA-N -1 0 316.813 3.955 50 0 DHAARM CCOc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1OC ZINC000022068108 182307844 /nfs/dbraw/zinc/30/78/44/182307844.db2.gz FIDVYOUHRICKRE-UHFFFAOYSA-N -1 0 321.760 3.705 50 0 DHAARM COc1ccccc1Nc1nc2sc(C(=O)[O-])cc2s1 ZINC000022165831 182312068 /nfs/dbraw/zinc/31/20/68/182312068.db2.gz YSKAZJWAEFDVEV-UHFFFAOYSA-N -1 0 306.368 3.808 50 0 DHAARM O=C([O-])c1csc(-n2nc(C(F)F)cc2-c2ccccc2)n1 ZINC000033435770 182711030 /nfs/dbraw/zinc/71/10/30/182711030.db2.gz AHKHTATVJJSYID-UHFFFAOYSA-N -1 0 321.308 3.632 50 0 DHAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1cccc(Cl)c1 ZINC000036559081 182827294 /nfs/dbraw/zinc/82/72/94/182827294.db2.gz IXHZGXFSBARJLH-QMMMGPOBSA-N -1 0 308.746 3.618 50 0 DHAARM O=C([O-])c1cnc(/C=C/c2csc(-c3ccco3)n2)s1 ZINC000058411354 184114641 /nfs/dbraw/zinc/11/46/41/184114641.db2.gz RBTHSRFMMGBHCU-ONEGZZNKSA-N -1 0 304.352 3.728 50 0 DHAARM O=C([O-])c1cccc(-c2nc(-c3ccc(O)cc3O)cs2)c1 ZINC000058474348 184119986 /nfs/dbraw/zinc/11/99/86/184119986.db2.gz HBECESLENCUPJQ-UHFFFAOYSA-N -1 0 313.334 3.587 50 0 DHAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)s2)o1 ZINC000065003966 184308337 /nfs/dbraw/zinc/30/83/37/184308337.db2.gz LQZSTXAENGCXRC-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM O=C([O-])CC1(CC(=O)Nc2ccc(F)cc2F)CCCCC1 ZINC000000129720 257254561 /nfs/dbraw/zinc/25/45/61/257254561.db2.gz DOSZZUBQSRHSJF-UHFFFAOYSA-N -1 0 311.328 3.719 50 0 DHAARM O=C([O-])CC1(CC(=O)NCc2ccc(Cl)cc2)CCCCC1 ZINC000000105454 563627612 /nfs/dbraw/zinc/62/76/12/563627612.db2.gz FGQMKOQYQRAWPL-UHFFFAOYSA-N -1 0 323.820 3.772 50 0 DHAARM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(C)n1 ZINC000222549001 563725803 /nfs/dbraw/zinc/72/58/03/563725803.db2.gz YBEVRDLNMKMCNZ-ZDUSSCGKSA-N -1 0 304.777 3.630 50 0 DHAARM CC1(C)S[C@H](c2ccc(Cl)cc2Cl)N[C@H]1C(=O)[O-] ZINC000000134502 563222419 /nfs/dbraw/zinc/22/24/19/563222419.db2.gz YRSQTILUDWVTDT-VHSXEESVSA-N -1 0 306.214 3.560 50 0 DHAARM Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1 ZINC000000277203 563235274 /nfs/dbraw/zinc/23/52/74/563235274.db2.gz AYKLRAKVBPFVNU-UHFFFAOYSA-N -1 0 313.353 3.981 50 0 DHAARM Cn1cc([C@H](CC(=O)c2ccccc2)C(=O)[O-])c2ccccc21 ZINC000000384263 563248360 /nfs/dbraw/zinc/24/83/60/563248360.db2.gz CFCVZKGESVQTIL-HNNXBMFYSA-N -1 0 307.349 3.620 50 0 DHAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cccc3ccccc32)cc1 ZINC000000614874 563269835 /nfs/dbraw/zinc/26/98/35/563269835.db2.gz KWQNUSWIYCSTKH-UHFFFAOYSA-N -1 0 324.401 3.805 50 0 DHAARM O=C([O-])c1cc(-c2ccccc2)nn1-c1ccc(F)cc1F ZINC000000732364 563271813 /nfs/dbraw/zinc/27/18/13/563271813.db2.gz ZIAAIZJXWLHTJX-UHFFFAOYSA-N -1 0 300.264 3.516 50 0 DHAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000001397620 563282706 /nfs/dbraw/zinc/28/27/06/563282706.db2.gz HLPRCQVUCNWKGB-AWEZNQCLSA-N -1 0 306.720 3.920 50 0 DHAARM Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)[O-])c2c1 ZINC000001457179 563284119 /nfs/dbraw/zinc/28/41/19/563284119.db2.gz MFJIYRWFCABQBX-UHFFFAOYSA-N -1 0 307.305 3.637 50 0 DHAARM O=C([O-])[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001734030 563294366 /nfs/dbraw/zinc/29/43/66/563294366.db2.gz NQAUYMDFGPHZSI-HXUWFJFHSA-N -1 0 304.345 3.674 50 0 DHAARM COc1cccc(-c2nnc(NC(=O)c3cccs3)s2)c1 ZINC000002846737 563314957 /nfs/dbraw/zinc/31/49/57/563314957.db2.gz OWXZRUFVULZXMD-UHFFFAOYSA-N -1 0 317.395 3.528 50 0 DHAARM O=C([O-])c1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000002878950 563316225 /nfs/dbraw/zinc/31/62/25/563316225.db2.gz PRYGHHSLVICWBN-UHFFFAOYSA-N -1 0 305.333 3.719 50 0 DHAARM Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CC(=O)[O-] ZINC000008729827 563349811 /nfs/dbraw/zinc/34/98/11/563349811.db2.gz YSOSZOWTNVUUOO-UHFFFAOYSA-N -1 0 301.289 3.764 50 0 DHAARM CCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000011613852 563358015 /nfs/dbraw/zinc/35/80/15/563358015.db2.gz DVZUOYLOQGHHDW-UHFFFAOYSA-N -1 0 323.389 3.642 50 0 DHAARM O=C([O-])c1ccc(OCCc2ccccc2)c(Br)c1 ZINC000011897141 563360286 /nfs/dbraw/zinc/36/02/86/563360286.db2.gz NQXZQUXYPKGUKA-UHFFFAOYSA-N -1 0 321.170 3.769 50 0 DHAARM CC(C)Cc1nnc(NC(=O)c2ccc(COC(C)C)o2)s1 ZINC000012382401 563367537 /nfs/dbraw/zinc/36/75/37/563367537.db2.gz WZGUBCZDXHHGCH-UHFFFAOYSA-N -1 0 323.418 3.507 50 0 DHAARM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000013947731 563393365 /nfs/dbraw/zinc/39/33/65/563393365.db2.gz PJAGTCVBBVKGJA-UHFFFAOYSA-N -1 0 310.806 3.659 50 0 DHAARM O=C([O-])c1cccc(-c2cnc(Oc3ccc(F)cc3)nc2)c1 ZINC000032918484 563444415 /nfs/dbraw/zinc/44/44/15/563444415.db2.gz BDDHIRGHPSFOFG-UHFFFAOYSA-N -1 0 310.284 3.773 50 0 DHAARM C[C@H](c1ccc2ccccc2c1)N(C)C(=O)CCc1cc(=O)[n-]o1 ZINC000067642547 563488734 /nfs/dbraw/zinc/48/87/34/563488734.db2.gz OUIAFXVSCOIJMF-CYBMUJFWSA-N -1 0 324.380 3.686 50 0 DHAARM Cc1ccc(C)c(-c2nccn2[C@H](CC(=O)[O-])c2ccco2)c1 ZINC000067954665 563493708 /nfs/dbraw/zinc/49/37/08/563493708.db2.gz OOVQSWYWPYDRFR-OAHLLOKOSA-N -1 0 310.353 3.824 50 0 DHAARM Cc1oc(CC(C)C)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000000036237 563507569 /nfs/dbraw/zinc/50/75/69/563507569.db2.gz OQHOMASXVKLHNW-UHFFFAOYSA-N -1 0 301.342 3.737 50 0 DHAARM O=C([O-])CCc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000097228545 563513781 /nfs/dbraw/zinc/51/37/81/563513781.db2.gz JGWMXNFJEUKOPL-UHFFFAOYSA-N -1 0 321.735 3.749 50 0 DHAARM CC(=O)SCCCCCCCCCCC[P@@](=O)([O-])O ZINC000086029375 563521920 /nfs/dbraw/zinc/52/19/20/563521920.db2.gz MXVVRUWOKVFAKY-UHFFFAOYSA-N -1 0 310.396 3.955 50 0 DHAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1CCc1ccccc1 ZINC000100072445 563545778 /nfs/dbraw/zinc/54/57/78/563545778.db2.gz RLXVUFQWJXHLRP-UHFFFAOYSA-N -1 0 318.380 3.548 50 0 DHAARM O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)c1ccccc1 ZINC000072233725 563568420 /nfs/dbraw/zinc/56/84/20/563568420.db2.gz AIHNUOAMIMLKCW-AWEZNQCLSA-N -1 0 321.298 3.679 50 0 DHAARM Cc1nc2ccccc2nc1S[C@H](C(=O)[O-])c1ccccc1 ZINC000000128032 563571268 /nfs/dbraw/zinc/57/12/68/563571268.db2.gz UOLSWHXXSYZOKV-HNNXBMFYSA-N -1 0 310.378 3.856 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000000267367 563584377 /nfs/dbraw/zinc/58/43/77/563584377.db2.gz XNJHOGFLPZSSAD-UHFFFAOYSA-N -1 0 317.344 3.889 50 0 DHAARM CC[C@H](C)Oc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000248143704 563601003 /nfs/dbraw/zinc/60/10/03/563601003.db2.gz DCUPDPBOZCBVDX-APHBMKBZSA-N -1 0 319.401 3.693 50 0 DHAARM CC(C)Cc1csc(NC(=O)c2cccs2)c1C(=O)[O-] ZINC000005633154 563624752 /nfs/dbraw/zinc/62/47/52/563624752.db2.gz ZXGBCFVHJMURMT-UHFFFAOYSA-N -1 0 309.412 3.959 50 0 DHAARM O=c1cc(-c2ccccc2)[n-]n1-c1cccc(C(F)(F)F)c1 ZINC000100968828 563647372 /nfs/dbraw/zinc/64/73/72/563647372.db2.gz PIJKXXQWMGHDEU-UHFFFAOYSA-N -1 0 304.271 3.846 50 0 DHAARM Cc1nc(S[C@H](C(=O)[O-])c2ccccc2)nc2c1CCCC2 ZINC000012176549 563681158 /nfs/dbraw/zinc/68/11/58/563681158.db2.gz ZQGAYKIFZLSFHC-HNNXBMFYSA-N -1 0 314.410 3.582 50 0 DHAARM Cc1cccc(Cl)c1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000218779287 563716965 /nfs/dbraw/zinc/71/69/65/563716965.db2.gz VDXQGSUOTCDAGT-GFCCVEGCSA-N -1 0 309.793 3.508 50 0 DHAARM Cc1ccc2[n-]cc(-c3nc(-c4ccc(F)cc4)no3)c(=O)c2c1 ZINC000075352731 563864191 /nfs/dbraw/zinc/86/41/91/563864191.db2.gz GHLXYKFGAIEFGO-UHFFFAOYSA-N -1 0 321.311 3.693 50 0 DHAARM O=C([O-])c1cc(N2CCCCC2)ccc1NC(=O)C1CCCC1 ZINC000035482676 563869606 /nfs/dbraw/zinc/86/96/06/563869606.db2.gz BPZJBSMQDWQUQU-UHFFFAOYSA-N -1 0 316.401 3.504 50 0 DHAARM Cc1c(C=Nc2ccc(O)c(C(=O)[O-])c2)c2ccccc2n1C ZINC000252591102 563887126 /nfs/dbraw/zinc/88/71/26/563887126.db2.gz AXPKKQBNMMDAPH-UHFFFAOYSA-N -1 0 308.337 3.641 50 0 DHAARM CC(=CN=Nc1nc2ccccc2c(=O)[n-]1)Cc1ccccc1 ZINC000253531487 563901591 /nfs/dbraw/zinc/90/15/91/563901591.db2.gz XQBGZUSIPXQEMM-IPVBNDNJSA-N -1 0 304.353 3.837 50 0 DHAARM COc1cccc([C@@H](C)n2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000007277278 563904821 /nfs/dbraw/zinc/90/48/21/563904821.db2.gz DSAAEEHHINMHJB-LLVKDONJSA-N -1 0 312.394 3.677 50 0 DHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(C)cc1O ZINC000252475325 563915671 /nfs/dbraw/zinc/91/56/71/563915671.db2.gz YKDXYBYGARQKKU-UHFFFAOYSA-N -1 0 318.760 3.888 50 0 DHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1scnc1C ZINC000252475193 563915683 /nfs/dbraw/zinc/91/56/83/563915683.db2.gz VQVOMUWHGWRSDX-UHFFFAOYSA-N -1 0 309.778 3.639 50 0 DHAARM CC(C)COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013095134 563916525 /nfs/dbraw/zinc/91/65/25/563916525.db2.gz RKNDIRUIANOLPU-UHFFFAOYSA-N -1 0 313.353 3.672 50 0 DHAARM COc1ccc(O)c(C(=O)C=C([O-])c2ccc(Cl)cc2)c1 ZINC000108264098 563924236 /nfs/dbraw/zinc/92/42/36/563924236.db2.gz FHKPUBLFVIVVSM-UHFFFAOYSA-N -1 0 304.729 3.510 50 0 DHAARM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000003236303 563943185 /nfs/dbraw/zinc/94/31/85/563943185.db2.gz ZVCCDHKBNZYBKV-UHFFFAOYSA-N -1 0 317.357 3.831 50 0 DHAARM O=C(NCCCSc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000031351572 563944373 /nfs/dbraw/zinc/94/43/73/563944373.db2.gz WZIRRFMWXLNXIV-UHFFFAOYSA-N -1 0 321.829 3.958 50 0 DHAARM CCc1c(C)sc2nc(=O)n3nc(Cc4ccccc4)[n-]c3c12 ZINC000032093040 563945273 /nfs/dbraw/zinc/94/52/73/563945273.db2.gz VIHOTQGMTDXLRN-UHFFFAOYSA-N -1 0 324.409 3.506 50 0 DHAARM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000008907317 563951294 /nfs/dbraw/zinc/95/12/94/563951294.db2.gz AGZSCQWLMZHLLO-UHFFFAOYSA-N -1 0 303.745 3.528 50 0 DHAARM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1cc2ccccc2o1 ZINC000008922371 563951540 /nfs/dbraw/zinc/95/15/40/563951540.db2.gz AQGYYCHQBRLWBD-GFCCVEGCSA-N -1 0 315.369 3.645 50 0 DHAARM C[C@@](CC(=O)Nc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000008993889 563951831 /nfs/dbraw/zinc/95/18/31/563951831.db2.gz YFFFIHYOACZTBV-KRWDZBQOSA-N -1 0 317.772 3.711 50 0 DHAARM CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000001151038 568421285 /nfs/dbraw/zinc/42/12/85/568421285.db2.gz UJOKOFCXXUTHFD-APHBMKBZSA-N -1 0 301.386 3.806 50 0 DHAARM Cc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])no1 ZINC000000099302 1015250108 /nfs/dbraw/zinc/25/01/08/1015250108.db2.gz BBOOFYWCKJHZMN-UHFFFAOYSA-N -1 0 322.320 3.601 50 0 DHAARM Cc1csc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1Cl ZINC000235956111 1020742584 /nfs/dbraw/zinc/74/25/84/1020742584.db2.gz XXIGUIAUHDNFCD-SNVBAGLBSA-N -1 0 315.822 3.569 50 0 DHAARM CCOc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1 ZINC000095943459 1024622576 /nfs/dbraw/zinc/62/25/76/1024622576.db2.gz DEWUZGIHDHNEDU-BQYQJAHWSA-N -1 0 302.351 3.741 50 0 DHAARM Cc1cc(C)c(NC([O-])=NC(=O)C(Cl)(Cl)Cl)c(C)c1 ZINC000000462644 1036832319 /nfs/dbraw/zinc/83/23/19/1036832319.db2.gz IRGKVHGXRKWNMU-UHFFFAOYSA-N -1 0 323.607 3.630 50 0 DHAARM CC(C)(C)c1coc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000225392950 1039023551 /nfs/dbraw/zinc/02/35/51/1039023551.db2.gz VNBAYUMEDVHLCN-CMDGGOBGSA-N -1 0 324.377 3.524 50 0 DHAARM Cc1cccc(Nc2nc(C(F)(F)F)c(C(=O)[O-])s2)c1 ZINC000004245097 190619180 /nfs/dbraw/zinc/61/91/80/190619180.db2.gz RGKWMNAJAJLAOZ-UHFFFAOYSA-N -1 0 302.277 3.912 50 0 DHAARM Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000097045097 185402300 /nfs/dbraw/zinc/40/23/00/185402300.db2.gz BITDMACSFFRSLV-HOTGVXAUSA-N -1 0 317.429 3.592 50 0 DHAARM CCC[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000080343797 192150451 /nfs/dbraw/zinc/15/04/51/192150451.db2.gz YMVGSAHCPGFRPV-IKGGRYGDSA-N -1 0 317.429 3.578 50 0 DHAARM COc1ccc(-c2c(C)nn(-c3ccccc3)c2C)c(C(=O)[O-])c1 ZINC000000166837 180712650 /nfs/dbraw/zinc/71/26/50/180712650.db2.gz OWZHVGHNPCAULX-UHFFFAOYSA-N -1 0 322.364 3.863 50 0 DHAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000277191 180745871 /nfs/dbraw/zinc/74/58/71/180745871.db2.gz QQEMETRBLNFBGU-UHFFFAOYSA-N -1 0 319.744 3.936 50 0 DHAARM COc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)[O-])cc1 ZINC000000502307 180808998 /nfs/dbraw/zinc/80/89/98/180808998.db2.gz XUXHTEHVHNXVFK-UHFFFAOYSA-N -1 0 319.382 3.716 50 0 DHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000003328493 181006215 /nfs/dbraw/zinc/00/62/15/181006215.db2.gz VNGQUETUDDSKQU-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM CC(=O)c1ccccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000003310676 181003044 /nfs/dbraw/zinc/00/30/44/181003044.db2.gz YFBHYEUYZZIBSA-UHFFFAOYSA-N -1 0 317.385 3.643 50 0 DHAARM O=C([O-])Cc1sc(NC2CCCC2)nc1-c1ccc(F)cc1 ZINC000003330966 181007061 /nfs/dbraw/zinc/00/70/61/181007061.db2.gz BAODMNFEGZWNEX-UHFFFAOYSA-N -1 0 320.389 3.931 50 0 DHAARM CCCCOc1ccc(CNC(=O)CCCCCC(=O)[O-])cc1 ZINC000004023510 181063280 /nfs/dbraw/zinc/06/32/80/181063280.db2.gz GOKXKPBJIGAOMD-UHFFFAOYSA-N -1 0 321.417 3.517 50 0 biogenic DHAARM O=S(=O)([N-]c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000004010739 181061902 /nfs/dbraw/zinc/06/19/02/181061902.db2.gz QNXMSIXPESBJCL-UHFFFAOYSA-N -1 0 320.172 3.933 50 0 DHAARM COc1ccc(C)cc1C(=O)[C@@H]1C[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000004197576 181084698 /nfs/dbraw/zinc/08/46/98/181084698.db2.gz KRNMUMVLRVSPQF-BZPMIXESSA-N -1 0 304.386 3.569 50 0 DHAARM O=C([O-])Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000004649242 181131994 /nfs/dbraw/zinc/13/19/94/181131994.db2.gz DXDNYUURPMDPLH-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1C ZINC000004649223 181132245 /nfs/dbraw/zinc/13/22/45/181132245.db2.gz PMUFRUHTHYQHBO-UHFFFAOYSA-N -1 0 303.745 3.907 50 0 DHAARM Cc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1C ZINC000004902181 181169947 /nfs/dbraw/zinc/16/99/47/181169947.db2.gz BLAIRZLICJJZPO-CVEARBPZSA-N -1 0 301.386 3.689 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004990574 181185861 /nfs/dbraw/zinc/18/58/61/181185861.db2.gz SUEJGYILKDAFBF-ZJUUUORDSA-N -1 0 316.184 3.823 50 0 DHAARM Cc1ccccc1OCCn1ccnc1-c1ccccc1C(=O)[O-] ZINC000077472207 191720366 /nfs/dbraw/zinc/72/03/66/191720366.db2.gz KWJNOYASZVLAOU-UHFFFAOYSA-N -1 0 322.364 3.636 50 0 DHAARM Cc1ccc(SCc2nc(=O)c3sccc3[n-]2)cc1C ZINC000005173814 181213304 /nfs/dbraw/zinc/21/33/04/181213304.db2.gz JWSKUGNTMBYPBF-UHFFFAOYSA-N -1 0 302.424 3.894 50 0 DHAARM C[P@@](=O)([O-])O[C@H](c1ccccc1)C(F)(F)C(F)(F)F ZINC000005257436 181222887 /nfs/dbraw/zinc/22/28/87/181222887.db2.gz FOPZPMOSTHLVET-MRVPVSSYSA-N -1 0 304.151 3.757 50 0 DHAARM CC1(C)[C@H](C(=O)Nc2cccc(Cl)c2)CC[C@]1(C)C(=O)[O-] ZINC000005482307 181248632 /nfs/dbraw/zinc/24/86/32/181248632.db2.gz LVYAYVHCJMDWCN-BLLLJJGKSA-N -1 0 309.793 3.806 50 0 DHAARM O=c1c(Oc2ccc(Cl)cc2)coc2cc([O-])cc(O)c12 ZINC000005997057 181304047 /nfs/dbraw/zinc/30/40/47/181304047.db2.gz XWCXCTNOYINZHG-UHFFFAOYSA-N -1 0 304.685 3.650 50 0 biogenic DHAARM CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000006550733 181353102 /nfs/dbraw/zinc/35/31/02/181353102.db2.gz KGCSMBGAFKIILC-UHFFFAOYSA-N -1 0 319.401 3.839 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000006820321 181395019 /nfs/dbraw/zinc/39/50/19/181395019.db2.gz CBNZXCIHTDDMQE-UHFFFAOYSA-N -1 0 301.820 3.819 50 0 DHAARM O=C([O-])[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000006829723 181396339 /nfs/dbraw/zinc/39/63/39/181396339.db2.gz PCZDVVVVTDJPLP-CYBMUJFWSA-N -1 0 312.350 3.655 50 0 DHAARM Fc1cc(Br)c([S-])c(F)c1Br ZINC000263622975 203487276 /nfs/dbraw/zinc/48/72/76/203487276.db2.gz COCMOYXWGDYMKR-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM O=C([O-])c1c(Br)nc2ccccc2c1C(F)(F)F ZINC000016159920 182035702 /nfs/dbraw/zinc/03/57/02/182035702.db2.gz IWBJBJOCBCGTEP-UHFFFAOYSA-N -1 0 320.064 3.714 50 0 DHAARM Cc1ccc(-c2nnc(Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000016806839 182061265 /nfs/dbraw/zinc/06/12/65/182061265.db2.gz YKXLAYBUYIWPSH-UHFFFAOYSA-N -1 0 306.369 3.913 50 0 DHAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccccc1)CCC3 ZINC000018116996 182093821 /nfs/dbraw/zinc/09/38/21/182093821.db2.gz SCOOEYHUMCRCSK-UHFFFAOYSA-N -1 0 314.435 3.658 50 0 DHAARM Cc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1-c1ccc(F)cc1 ZINC000018172857 182095852 /nfs/dbraw/zinc/09/58/52/182095852.db2.gz IDUWBUIHXCXBOH-UHFFFAOYSA-N -1 0 319.339 3.804 50 0 DHAARM COc1ccc2ncc(C(=O)[O-])c(Nc3ccccc3C)c2c1 ZINC000019793857 182150230 /nfs/dbraw/zinc/15/02/30/182150230.db2.gz IQOFHRBOGRHPEM-UHFFFAOYSA-N -1 0 308.337 3.994 50 0 DHAARM CCOc1cc(-c2cc(C(=O)[O-])c3ccccc3n2)ccc1O ZINC000020026918 182180478 /nfs/dbraw/zinc/18/04/78/182180478.db2.gz OHBCISQEXWYBDA-UHFFFAOYSA-N -1 0 309.321 3.704 50 0 DHAARM O=c1c(-c2nc(-c3ccc(Cl)cc3)no2)c[n-]c2ccccc21 ZINC000020745085 182246088 /nfs/dbraw/zinc/24/60/88/182246088.db2.gz XCOKIWOMJHNFIP-UHFFFAOYSA-N -1 0 323.739 3.899 50 0 DHAARM COc1ccc(C(C)(C)C)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000032496817 182644781 /nfs/dbraw/zinc/64/47/81/182644781.db2.gz YGMIUGFSOWKUEZ-UHFFFAOYSA-N -1 0 321.417 3.822 50 0 DHAARM Cc1nc(Oc2cccc3ccc(C)nc32)sc1C(=O)[O-] ZINC000036047717 182793407 /nfs/dbraw/zinc/79/34/07/182793407.db2.gz DTPCTTIKPGXUTB-UHFFFAOYSA-N -1 0 300.339 3.799 50 0 DHAARM O=C([O-])Cc1ccc(OCc2coc(-c3cccs3)n2)cc1 ZINC000048300148 183640225 /nfs/dbraw/zinc/64/02/25/183640225.db2.gz SRGSDXFNJFWRPD-UHFFFAOYSA-N -1 0 315.350 3.609 50 0 DHAARM Cc1ccc(-c2noc(-c3c[n-]c4ccc(C)cc4c3=O)n2)cc1 ZINC000057354762 184035172 /nfs/dbraw/zinc/03/51/72/184035172.db2.gz YRPYYEXDTDUDAM-UHFFFAOYSA-N -1 0 317.348 3.862 50 0 DHAARM Cc1ccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000057354760 184035427 /nfs/dbraw/zinc/03/54/27/184035427.db2.gz WCEITPGRROAFKD-UHFFFAOYSA-N -1 0 303.321 3.554 50 0 DHAARM Cc1ccccc1-c1noc(-c2c[n-]c3ccccc3c2=O)n1 ZINC000057354759 184035436 /nfs/dbraw/zinc/03/54/36/184035436.db2.gz NXLDBZJOTKKGPM-UHFFFAOYSA-N -1 0 303.321 3.554 50 0 DHAARM Cc1ccc2[n-]cc(-c3nc(-c4ccccc4C)no3)c(=O)c2c1 ZINC000057354764 184035502 /nfs/dbraw/zinc/03/55/02/184035502.db2.gz WMOPLSWDFYOMOS-UHFFFAOYSA-N -1 0 317.348 3.862 50 0 DHAARM O=C([O-])c1cccc(-c2cccc(I)c2)c1 ZINC000065336914 184324892 /nfs/dbraw/zinc/32/48/92/184324892.db2.gz RZGXSEXPBQYOMH-UHFFFAOYSA-N -1 0 324.117 3.656 50 0 DHAARM CCCc1cc(=O)n2[n-]c(C)c(-c3cccc(Cl)c3)c2n1 ZINC000065364612 184328685 /nfs/dbraw/zinc/32/86/85/184328685.db2.gz DZOURNOFJFDYMZ-UHFFFAOYSA-N -1 0 301.777 3.604 50 0 DHAARM CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000000471067 256513103 /nfs/dbraw/zinc/51/31/03/256513103.db2.gz VVBBSHUQAYHOIO-UHFFFAOYSA-N -1 0 319.860 3.924 50 0 DHAARM Cc1cccc(-n2ccnc2SCc2ccc(C(=O)[O-])o2)c1 ZINC000058157274 256538159 /nfs/dbraw/zinc/53/81/59/256538159.db2.gz HGYFDAZMXXZQOL-UHFFFAOYSA-N -1 0 314.366 3.764 50 0 DHAARM O=C([O-])CSc1ccc(C(=O)/C=C\c2ccccc2)cc1F ZINC000096765777 257212104 /nfs/dbraw/zinc/21/21/04/257212104.db2.gz DPNCIXLTSPPMPH-VURMDHGXSA-N -1 0 316.353 3.899 50 0 DHAARM CC(=O)c1c(C)nc([N-]c2nc(C)c3cc(C)ccc3n2)nc1C ZINC000001263015 331465957 /nfs/dbraw/zinc/46/59/57/331465957.db2.gz BDXCMCZTMDOVNK-UHFFFAOYSA-N -1 0 321.384 3.600 50 0 DHAARM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000263290897 337626147 /nfs/dbraw/zinc/62/61/47/337626147.db2.gz MEBRIFMAFQATFJ-SNVBAGLBSA-N -1 0 311.328 3.639 50 0 DHAARM O=C([O-])c1ccc(CC(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000263363757 337626949 /nfs/dbraw/zinc/62/69/49/337626949.db2.gz VHWPZFZCDKMQKN-LJQANCHMSA-N -1 0 323.392 3.585 50 0 DHAARM CC1=C(C)C[C@H](C(=O)Nc2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000000372520 563246489 /nfs/dbraw/zinc/24/64/89/563246489.db2.gz KOTAEYIGZGZJQW-UONOGXRCSA-N -1 0 307.777 3.726 50 0 DHAARM Cc1nc(Cc2ccc(Br)cc2)sc1C(=O)[O-] ZINC000036928977 563457540 /nfs/dbraw/zinc/45/75/40/563457540.db2.gz RBWIGIJXMMEVES-UHFFFAOYSA-N -1 0 312.188 3.503 50 0 DHAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000000117132 563219102 /nfs/dbraw/zinc/21/91/02/563219102.db2.gz IQPUVMJQOATHBT-UHFFFAOYSA-N -1 0 322.455 3.539 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000238273 563232322 /nfs/dbraw/zinc/23/23/22/563232322.db2.gz AVQRPYDXZAOFPB-NXEZZACHSA-N -1 0 316.184 3.823 50 0 DHAARM Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000270025 563234492 /nfs/dbraw/zinc/23/44/92/563234492.db2.gz SDBCNNUYXGKSMG-UHFFFAOYSA-N -1 0 301.342 3.836 50 0 DHAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(Cl)cc1 ZINC000000365028 563246012 /nfs/dbraw/zinc/24/60/12/563246012.db2.gz JZSQETNTOFPAGF-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM CSc1ccccc1[N-]C(=S)Nc1ccc2c(c1)OCO2 ZINC000000611971 563268985 /nfs/dbraw/zinc/26/89/85/563268985.db2.gz MYVQWCKPXKFQIF-UHFFFAOYSA-N -1 0 318.423 3.946 50 0 DHAARM CC[C@@H](c1cccc(C(=O)[O-])c1)[C@H](C(C)=O)c1ccc(O)cc1 ZINC000001602622 563287608 /nfs/dbraw/zinc/28/76/08/563287608.db2.gz SQTDYMQRTGUSGR-ZWKOTPCHSA-N -1 0 312.365 3.957 50 0 in-vitro DHAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)[O-])c(Cl)cc12 ZINC000002381680 563303026 /nfs/dbraw/zinc/30/30/26/563303026.db2.gz IXAQVAQOTRZLND-VIFPVBQESA-N -1 0 324.760 3.641 50 0 DHAARM Cc1sc2[n-]c(=S)n(Cc3ccccc3)c(=O)c2c1C ZINC000002768959 563313097 /nfs/dbraw/zinc/31/30/97/563313097.db2.gz GUKGRFQNMDQCTN-UHFFFAOYSA-N -1 0 302.424 3.786 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003024401 563321128 /nfs/dbraw/zinc/32/11/28/563321128.db2.gz VUAMWEZSKAOCGZ-VHSXEESVSA-N -1 0 314.168 3.599 50 0 DHAARM Cc1cc(C)cc(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000008741406 563350014 /nfs/dbraw/zinc/35/00/14/563350014.db2.gz VQACEJIGNZNTPP-UHFFFAOYSA-N -1 0 306.369 3.528 50 0 DHAARM O=C([O-])CCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 ZINC000012138006 563362531 /nfs/dbraw/zinc/36/25/31/563362531.db2.gz NUDKZKXLJIDEDG-UHFFFAOYSA-N -1 0 319.401 3.839 50 0 DHAARM COc1ccccc1Oc1cc(-c2cccc(C(=O)[O-])c2)ncn1 ZINC000032918453 563443492 /nfs/dbraw/zinc/44/34/92/563443492.db2.gz ICSWQYQVXLRSFP-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM Cc1ccc(-c2nccc(Oc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000032918478 563443861 /nfs/dbraw/zinc/44/38/61/563443861.db2.gz XFWBHUMLHLSQJS-UHFFFAOYSA-N -1 0 306.321 3.943 50 0 DHAARM O=C([O-])c1cccc(Oc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000032918490 563444457 /nfs/dbraw/zinc/44/44/57/563444457.db2.gz CKHFRWWYBIJTRH-UHFFFAOYSA-N -1 0 310.284 3.773 50 0 DHAARM Cc1cccc(CN2CCCN(c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000034798151 563451809 /nfs/dbraw/zinc/45/18/09/563451809.db2.gz RIBGCEQMZCZAHA-UHFFFAOYSA-N -1 0 324.380 3.526 50 0 DHAARM CC(C)(C)OC(=O)Nc1cc(Br)sc1C(=O)[O-] ZINC000071864181 563501586 /nfs/dbraw/zinc/50/15/86/563501586.db2.gz GAPISYOCEOSVSG-UHFFFAOYSA-N -1 0 322.180 3.556 50 0 DHAARM COc1ccc(/C(=C/c2ccc(Cl)cc2)C(=O)[O-])cc1OC ZINC000000073256 563522713 /nfs/dbraw/zinc/52/27/13/563522713.db2.gz QSJJBKSZDQTKDZ-ZROIWOOFSA-N -1 0 318.756 3.982 50 0 DHAARM CC[C@H](Nc1nc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000000076957 563523188 /nfs/dbraw/zinc/52/31/88/563523188.db2.gz RIESFNLXSIWHHP-AWEZNQCLSA-N -1 0 307.353 3.572 50 0 DHAARM CN(C)c1ncc(C(F)(F)F)cc1-c1ccc(C(=O)[O-])cc1 ZINC000095082159 563528290 /nfs/dbraw/zinc/52/82/90/563528290.db2.gz XABTWHXOLLVAKE-UHFFFAOYSA-N -1 0 310.275 3.532 50 0 DHAARM O=C([O-])[C@H]1CC[C@H](C(=O)c2cccc(Br)c2)CC1 ZINC000100449764 563550947 /nfs/dbraw/zinc/55/09/47/563550947.db2.gz PNLUUWXXVKDKPP-AOOOYVTPSA-N -1 0 311.175 3.523 50 0 DHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000000270121 563584224 /nfs/dbraw/zinc/58/42/24/563584224.db2.gz BVPYXNGUUNUFOF-UHFFFAOYSA-N -1 0 319.426 3.695 50 0 DHAARM O=C([O-])/C=C/C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000000474486 563624230 /nfs/dbraw/zinc/62/42/30/563624230.db2.gz IULRPCNAFPDZRM-CMDGGOBGSA-N -1 0 324.361 3.543 50 0 DHAARM Cc1cc(-c2cccs2)c2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000000497800 563650818 /nfs/dbraw/zinc/65/08/18/563650818.db2.gz CIRSLVBSKGWHML-UHFFFAOYSA-N -1 0 314.391 3.880 50 0 DHAARM O=c1cc(Cc2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000101345802 563655367 /nfs/dbraw/zinc/65/53/67/563655367.db2.gz CLNWXTBDTYXFJH-UHFFFAOYSA-N -1 0 307.378 3.778 50 0 DHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000000514277 563661149 /nfs/dbraw/zinc/66/11/49/563661149.db2.gz QNVFGZHYSPMHJO-UHFFFAOYSA-N -1 0 319.426 3.928 50 0 DHAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008106422 563718861 /nfs/dbraw/zinc/71/88/61/563718861.db2.gz FFYLQQHZWVQFIV-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM Cc1ccc2c(C(=O)[O-])cc(-c3ccc4c(c3)OCO4)nc2c1C ZINC000001459173 563836785 /nfs/dbraw/zinc/83/67/85/563836785.db2.gz MTVZSKHKRBBXDQ-UHFFFAOYSA-N -1 0 321.332 3.946 50 0 DHAARM O=c1nc(Cc2cccc(F)c2)[n-]c2c3ccccc3sc21 ZINC000012880077 563851029 /nfs/dbraw/zinc/85/10/29/563851029.db2.gz JCVADOLRJYPDJC-UHFFFAOYSA-N -1 0 310.353 3.868 50 0 DHAARM C[C@H](CCc1ccccc1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000012889186 563852477 /nfs/dbraw/zinc/85/24/77/563852477.db2.gz CSAQFZKGPJATMW-GFCCVEGCSA-N -1 0 303.789 3.797 50 0 DHAARM O=C(c1ccc(Br)cc1)C1=C([O-])c2ccoc2CC1 ZINC000035585945 563872898 /nfs/dbraw/zinc/87/28/98/563872898.db2.gz OSGNVDXVAYENHQ-GFCCVEGCSA-N -1 0 319.154 3.670 50 0 DHAARM CS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000089334746 563884647 /nfs/dbraw/zinc/88/46/47/563884647.db2.gz JJOXEIHRCVICTO-ZJUUUORDSA-N -1 0 317.813 3.541 50 0 DHAARM CCCn1c(=O)cc(Nc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000035995384 563891569 /nfs/dbraw/zinc/89/15/69/563891569.db2.gz FDOSZCZSMFFXPX-UHFFFAOYSA-N -1 0 322.364 3.853 50 0 DHAARM O=C([O-])c1c(-c2cscc2Br)noc1C1CC1 ZINC000675057743 563910222 /nfs/dbraw/zinc/91/02/22/563910222.db2.gz MWDBAOKLRJCQHM-UHFFFAOYSA-N -1 0 314.160 3.741 50 0 DHAARM CCCc1onc(-c2cscc2Br)c1C(=O)[O-] ZINC000675058241 563910334 /nfs/dbraw/zinc/91/03/34/563910334.db2.gz YUSQJEHFNIBLTK-UHFFFAOYSA-N -1 0 316.176 3.816 50 0 DHAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc2c(c1)CCC2 ZINC000007709477 563918053 /nfs/dbraw/zinc/91/80/53/563918053.db2.gz HYRYVGURJYYSTN-UHFFFAOYSA-N -1 0 324.405 3.524 50 0 DHAARM CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013095067 563929340 /nfs/dbraw/zinc/92/93/40/563929340.db2.gz SITLZIBNIAKSRT-UHFFFAOYSA-N -1 0 313.353 3.816 50 0 DHAARM CCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000058064910 563943577 /nfs/dbraw/zinc/94/35/77/563943577.db2.gz GXCRLUBKLBHRRQ-UHFFFAOYSA-N -1 0 318.417 3.750 50 0 DHAARM Cc1nc(S[C@H](C(=O)[O-])c2ccccc2)nc2ccccc12 ZINC000004247148 563945559 /nfs/dbraw/zinc/94/55/59/563945559.db2.gz HFSUEOGNDQOATQ-HNNXBMFYSA-N -1 0 310.378 3.856 50 0 DHAARM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccs3)c2)o1 ZINC000066814737 563947721 /nfs/dbraw/zinc/94/77/21/563947721.db2.gz AAQMWKLJUCHGRF-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM Cc1cc(C)cc(NC(=O)Nc2c([O-])c3ccccc3oc2=O)c1 ZINC000009607303 563957064 /nfs/dbraw/zinc/95/70/64/563957064.db2.gz XKDXBKXEORDDDX-UHFFFAOYSA-N -1 0 324.336 3.759 50 0 DHAARM CCOc1cc2cc(C(=O)c3ccccc3[O-])cnc2cc1OC ZINC000009644608 563957370 /nfs/dbraw/zinc/95/73/70/563957370.db2.gz CLJMCQVEWJNSKW-UHFFFAOYSA-N -1 0 323.348 3.579 50 0 DHAARM CC(=CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000100061379 563961333 /nfs/dbraw/zinc/96/13/33/563961333.db2.gz AVJDSGCIVXXJOT-CSKARUKUSA-N -1 0 302.276 3.845 50 0 DHAARM O=C([O-])c1ccc2[nH]c(-c3ccc([C@H]4CCCO4)s3)nc2c1 ZINC000067433377 568413492 /nfs/dbraw/zinc/41/34/92/568413492.db2.gz KXELXYVWYWMEPL-GFCCVEGCSA-N -1 0 314.366 3.841 50 0 DHAARM O=c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)[n-]n21 ZINC000100821790 1013934858 /nfs/dbraw/zinc/93/48/58/1013934858.db2.gz DYLQFWGCSSGRBZ-UHFFFAOYSA-N -1 0 305.312 3.908 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000649265601 975406381 /nfs/dbraw/zinc/40/63/81/975406381.db2.gz JIHDTPXSEWCTMB-OAHLLOKOSA-N -1 0 317.429 3.877 50 0 DHAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1C ZINC000100671564 1018018494 /nfs/dbraw/zinc/01/84/94/1018018494.db2.gz MRMLJLHHSIJWPA-MRVPVSSYSA-N -1 0 305.790 3.822 50 0 DHAARM COc1ccc(N(C(=O)c2ccccc2O)[C@@H](C)C2CC2)cc1 ZINC000000189270 1036744331 /nfs/dbraw/zinc/74/43/31/1036744331.db2.gz KVRWQPLSDUXOHQ-ZDUSSCGKSA-N -1 0 311.381 3.846 50 0 DHAARM O=C([O-])c1nc(N2CC[C@H](c3ccccc3F)C2)ccc1Cl ZINC000095501797 185374916 /nfs/dbraw/zinc/37/49/16/185374916.db2.gz ZJKXJZKWBKHSJK-JTQLQIEISA-N -1 0 320.751 3.566 50 0 DHAARM O=C([O-])c1ccc(Nc2ccnc(Nc3cccc(F)c3)n2)cc1 ZINC000096693817 185385488 /nfs/dbraw/zinc/38/54/88/185385488.db2.gz KKWNSHKMQKVFLR-UHFFFAOYSA-N -1 0 324.315 3.801 50 0 DHAARM O=C([O-])c1cccc(Nc2ccnc(Nc3ccccc3)n2)c1 ZINC000096693871 185385633 /nfs/dbraw/zinc/38/56/33/185385633.db2.gz XBVYWWMNFUTEBW-UHFFFAOYSA-N -1 0 306.325 3.662 50 0 DHAARM O=C([O-])[C@H]1CCC[C@@H]1CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000083328583 185222091 /nfs/dbraw/zinc/22/20/91/185222091.db2.gz UGFUCGXBLWHIFS-PWSUYJOCSA-N -1 0 300.276 3.779 50 0 DHAARM O=C([O-])[C@H]1CCC[C@@H]1CC(=O)c1cccc(Br)c1 ZINC000083328570 185222140 /nfs/dbraw/zinc/22/21/40/185222140.db2.gz DTACUJOMFXBPGV-SKDRFNHKSA-N -1 0 311.175 3.523 50 0 DHAARM CCCCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000003080993 190616859 /nfs/dbraw/zinc/61/68/59/190616859.db2.gz JROUFPILMNEWBE-HOTGVXAUSA-N -1 0 303.402 3.859 50 0 DHAARM CCOc1ccc(-c2ccnc(C(C)(C)C)n2)cc1C(=O)[O-] ZINC000071712239 191010529 /nfs/dbraw/zinc/01/05/29/191010529.db2.gz MSQDRTSMAGBZKD-UHFFFAOYSA-N -1 0 300.358 3.538 50 0 DHAARM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000084589076 192443890 /nfs/dbraw/zinc/44/38/90/192443890.db2.gz PJVWKTKQMONHTI-OAHLLOKOSA-N -1 0 308.333 3.610 50 0 biogenic,fda DHAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1nccs1 ZINC000000107163 180695540 /nfs/dbraw/zinc/69/55/40/180695540.db2.gz GBIMWUQMRRZGKP-UHFFFAOYSA-N -1 0 324.361 3.761 50 0 DHAARM CC[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000000131658 180703496 /nfs/dbraw/zinc/70/34/96/180703496.db2.gz UMHHCAZUDNMRSB-SECBINFHSA-N -1 0 308.428 3.525 50 0 DHAARM Cc1cccc2c1N1C(=O)c3c(cccc3C(=O)[O-])[C@@H]1C[C@H]2C ZINC000000377037 180771331 /nfs/dbraw/zinc/77/13/31/180771331.db2.gz FWIJUQKNNLLVQY-ABAIWWIYSA-N -1 0 307.349 3.902 50 0 DHAARM O=C([O-])CCCCCCC(=O)c1cc(F)c(F)c(F)c1F ZINC000002580119 180936855 /nfs/dbraw/zinc/93/68/55/180936855.db2.gz AFBXWABEHTYZJC-UHFFFAOYSA-N -1 0 306.255 3.851 50 0 DHAARM CC1(C)C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2Cc2ccccc21 ZINC000003881801 181052179 /nfs/dbraw/zinc/05/21/79/181052179.db2.gz IWHFLGWVCGKJJO-INIZCTEOSA-N -1 0 321.376 3.763 50 0 DHAARM COc1cccc2sc([N-]c3nnc(-c4ccco4)o3)nc21 ZINC000004137643 181077763 /nfs/dbraw/zinc/07/77/63/181077763.db2.gz KBFSSUZRNKATNN-UHFFFAOYSA-N -1 0 314.326 3.692 50 0 DHAARM O=C([O-])c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1 ZINC000004181664 181082743 /nfs/dbraw/zinc/08/27/43/181082743.db2.gz NBUWTJDQENNHHB-UHFFFAOYSA-N -1 0 315.332 3.762 50 0 DHAARM Cc1cccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C ZINC000004724099 181142232 /nfs/dbraw/zinc/14/22/32/181142232.db2.gz ZBGXCMJLVANBLQ-LSDHHAIUSA-N -1 0 301.386 3.689 50 0 DHAARM CC(C)(C)c1nnc(Nc2ccc(Cl)cc2Cl)[n-]c1=O ZINC000005154370 181211147 /nfs/dbraw/zinc/21/11/47/181211147.db2.gz QFIQWQJSXJSASF-UHFFFAOYSA-N -1 0 313.188 3.513 50 0 DHAARM CC[C@H](C)[C@H](Nc1nc(C)nc2c3ccccc3oc21)C(=O)[O-] ZINC000005278324 181225497 /nfs/dbraw/zinc/22/54/97/181225497.db2.gz VBWVTQZYKNGRSQ-ZANVPECISA-N -1 0 313.357 3.596 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(C)c1 ZINC000005332482 181230314 /nfs/dbraw/zinc/23/03/14/181230314.db2.gz JCBAQJCOHDMOEV-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000006700022 181372734 /nfs/dbraw/zinc/37/27/34/181372734.db2.gz ZQGIEERQMOKFBL-UHFFFAOYSA-N -1 0 305.783 3.650 50 0 DHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000006820386 181395122 /nfs/dbraw/zinc/39/51/22/181395122.db2.gz ILGMPOGBDHOYJB-UHFFFAOYSA-N -1 0 301.820 3.819 50 0 DHAARM COc1nc2ccccc2cc1-c1cc(C)c(C(=O)[O-])c(C)n1 ZINC000223304100 201640195 /nfs/dbraw/zinc/64/01/95/201640195.db2.gz JFJNPACDMJPGRO-UHFFFAOYSA-N -1 0 308.337 3.620 50 0 DHAARM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC000012759163 181794124 /nfs/dbraw/zinc/79/41/24/181794124.db2.gz XTNVCRHYPILQFH-LLVKDONJSA-N -1 0 301.367 3.504 50 0 DHAARM Cc1[n-]n2c(nc(-c3ccccc3C)cc2=O)c1-c1ccccc1 ZINC000014163581 181931427 /nfs/dbraw/zinc/93/14/27/181931427.db2.gz NWJYZACFPXPZAX-UHFFFAOYSA-N -1 0 315.376 3.973 50 0 DHAARM O=C(Nc1nc2ccccc2s1)c1cc(Cl)ccc1[O-] ZINC000021015290 182261044 /nfs/dbraw/zinc/26/10/44/182261044.db2.gz QFYZPOQSYLNAJT-UHFFFAOYSA-N -1 0 304.758 3.908 50 0 DHAARM CCCc1nc2c(-c3ccc(F)cc3)c(C)[n-]n2c(=O)c1Cl ZINC000100129947 193795061 /nfs/dbraw/zinc/79/50/61/193795061.db2.gz NETCMNNTRALQPQ-UHFFFAOYSA-N -1 0 319.767 3.743 50 0 DHAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[C@H](C)c2ccccc2)cc1 ZINC000035142172 182756078 /nfs/dbraw/zinc/75/60/78/182756078.db2.gz XYBKFVXSGNRBEL-RHSMWYFYSA-N -1 0 311.381 3.828 50 0 DHAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1-c1ccc(F)cc1 ZINC000037685652 182918842 /nfs/dbraw/zinc/91/88/42/182918842.db2.gz OMNHPLKQVSKZMZ-UHFFFAOYSA-N -1 0 300.264 3.516 50 0 DHAARM Cc1cc(Oc2ccc(C(=O)[O-])cn2)ccc1Br ZINC000040451280 183067941 /nfs/dbraw/zinc/06/79/41/183067941.db2.gz KMGJXPXHWSHAGN-UHFFFAOYSA-N -1 0 308.131 3.643 50 0 DHAARM CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCCC2 ZINC000062715968 184250730 /nfs/dbraw/zinc/25/07/30/184250730.db2.gz DDBQDAAACTYCSA-CJNGLKHVSA-N -1 0 315.413 3.812 50 0 DHAARM COc1cc(Br)cc(-c2cccc(C(=O)[O-])c2)c1 ZINC000065336973 184325027 /nfs/dbraw/zinc/32/50/27/184325027.db2.gz HKWZVMVNLVXIAG-UHFFFAOYSA-N -1 0 307.143 3.823 50 0 DHAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1 ZINC000065350692 184326681 /nfs/dbraw/zinc/32/66/81/184326681.db2.gz USTWZWRWUYKZEF-UHFFFAOYSA-N -1 0 310.227 3.799 50 0 DHAARM CSc1ccc2c(c1)NC(=O)C[C@H]2c1ccc(C(=O)[O-])s1 ZINC000065406724 184338642 /nfs/dbraw/zinc/33/86/42/184338642.db2.gz PXBOKEXEKOJWJK-SNVBAGLBSA-N -1 0 319.407 3.642 50 0 DHAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1n[n-]c(=S)o1 ZINC000005817184 332990999 /nfs/dbraw/zinc/99/09/99/332990999.db2.gz YGEHNQHQOLZSLV-LLVKDONJSA-N -1 0 321.402 3.541 50 0 DHAARM C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)[O-])C1 ZINC000000087299 563215222 /nfs/dbraw/zinc/21/52/22/563215222.db2.gz ZMAOISIVSYRNLT-QMMMGPOBSA-N -1 0 321.423 3.885 50 0 DHAARM O=C([O-])/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000071260 563213391 /nfs/dbraw/zinc/21/33/91/563213391.db2.gz QYHWXDNYHNFLSL-MDZDMXLPSA-N -1 0 317.728 3.712 50 0 DHAARM CNC(=O)c1ccccc1Sc1ccc(Cl)cc1C(=O)[O-] ZINC000000133968 563222392 /nfs/dbraw/zinc/22/23/92/563222392.db2.gz IRTZZHQCARMFTC-UHFFFAOYSA-N -1 0 321.785 3.549 50 0 DHAARM Cc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)cc2C(=O)[O-] ZINC000000160851 563225651 /nfs/dbraw/zinc/22/56/51/563225651.db2.gz TZHYXWBDNRBKJV-UHFFFAOYSA-N -1 0 307.305 3.637 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000243217 563232722 /nfs/dbraw/zinc/23/27/22/563232722.db2.gz DYKOTZPQCPXOGA-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM O=Cc1c2ccccc2n(Cc2cccc(Cl)c2)c1C(=O)[O-] ZINC000000254472 563234124 /nfs/dbraw/zinc/23/41/24/563234124.db2.gz NNRBVQJKRJDMOR-UHFFFAOYSA-N -1 0 313.740 3.854 50 0 DHAARM Cc1cccc2c1N1C(=O)c3c(cccc3C(=O)[O-])[C@H]1C[C@H]2C ZINC000000377039 563247781 /nfs/dbraw/zinc/24/77/81/563247781.db2.gz FWIJUQKNNLLVQY-IAQYHMDHSA-N -1 0 307.349 3.902 50 0 biogenic DHAARM CCOc1ccc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000393577 563250016 /nfs/dbraw/zinc/25/00/16/563250016.db2.gz ABMQTMNKACFCFY-KSSFIOAISA-N -1 0 319.401 3.551 50 0 DHAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1OC ZINC000000416412 563252827 /nfs/dbraw/zinc/25/28/27/563252827.db2.gz YOMZOJBFPXHVHU-UHFFFAOYSA-N -1 0 323.348 3.926 50 0 DHAARM CC(C)c1ccc([O-])c(C(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000000481666 563262755 /nfs/dbraw/zinc/26/27/55/563262755.db2.gz VOGMBBCSRCZFFD-UHFFFAOYSA-N -1 0 306.365 3.932 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000001709775 563292488 /nfs/dbraw/zinc/29/24/88/563292488.db2.gz FVJBRCBFURYRIQ-UHFFFAOYSA-N -1 0 309.243 3.656 50 0 DHAARM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1cccs1 ZINC000004333960 563326859 /nfs/dbraw/zinc/32/68/59/563326859.db2.gz ZAIZNMNRKPPKHF-UHFFFAOYSA-N -1 0 322.455 3.539 50 0 DHAARM CCCCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000003080992 563336584 /nfs/dbraw/zinc/33/65/84/563336584.db2.gz JROUFPILMNEWBE-HZPDHXFCSA-N -1 0 303.402 3.859 50 0 DHAARM Cc1cc(C)c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000008744766 563349816 /nfs/dbraw/zinc/34/98/16/563349816.db2.gz QCRKPSUNOBBBSY-INIZCTEOSA-N -1 0 311.381 3.809 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1Nc1cc(-c2ccccc2)ncn1 ZINC000011903118 563360090 /nfs/dbraw/zinc/36/00/90/563360090.db2.gz MXEYNZTXSIWIDL-UHFFFAOYSA-N -1 0 305.337 3.894 50 0 DHAARM CC(C)CC(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000064588933 563364016 /nfs/dbraw/zinc/36/40/16/563364016.db2.gz PVSKIZOBZXXWTC-CYBMUJFWSA-N -1 0 318.417 3.606 50 0 DHAARM CC(C)CC(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000064588934 563364208 /nfs/dbraw/zinc/36/42/08/563364208.db2.gz PVSKIZOBZXXWTC-ZDUSSCGKSA-N -1 0 318.417 3.606 50 0 DHAARM CC(C)Oc1cccc(NS(=O)(=O)Cc2ccccc2F)c1 ZINC000012382811 563367681 /nfs/dbraw/zinc/36/76/81/563367681.db2.gz BLDMRQYHSBIHBR-UHFFFAOYSA-N -1 0 323.389 3.555 50 0 DHAARM Cc1nn(C2CCCC2)c2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000012394524 563368526 /nfs/dbraw/zinc/36/85/26/563368526.db2.gz CEYQTMAAPOSGPG-UHFFFAOYSA-N -1 0 311.341 3.813 50 0 DHAARM Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000013250339 563380149 /nfs/dbraw/zinc/38/01/49/563380149.db2.gz ZFSPWHPXARNZOZ-CYBMUJFWSA-N -1 0 317.772 3.845 50 0 DHAARM O=C([O-])[C@H](CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000013250145 563380292 /nfs/dbraw/zinc/38/02/92/563380292.db2.gz RQQVHQUQDMFHEW-CQSZACIVSA-N -1 0 303.745 3.537 50 0 DHAARM CC(=O)c1cc2c(cc1O)[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC2 ZINC000015252722 563408493 /nfs/dbraw/zinc/40/84/93/563408493.db2.gz SAGXNMAORPXGSC-YTQUADARSA-N -1 0 316.397 3.690 50 0 DHAARM Cc1ccccc1CN1CCCN(c2ccc(C(=O)[O-])cc2)C1=O ZINC000015414064 563409568 /nfs/dbraw/zinc/40/95/68/563409568.db2.gz QMGKSISTWGGFLK-UHFFFAOYSA-N -1 0 324.380 3.526 50 0 DHAARM O=C([O-])c1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1 ZINC000032918466 563443105 /nfs/dbraw/zinc/44/31/05/563443105.db2.gz GCNJGDJECFVLCM-UHFFFAOYSA-N -1 0 310.284 3.773 50 0 DHAARM COc1ccc2c(C=O)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000045795960 563465795 /nfs/dbraw/zinc/46/57/95/563465795.db2.gz VHFGJRTYTLSVKR-UHFFFAOYSA-N -1 0 323.348 3.517 50 0 DHAARM CC(C)(C)OC(=O)N1CCC2(CCC(CC(=O)[O-])CC2)CC1 ZINC000051943374 563469225 /nfs/dbraw/zinc/46/92/25/563469225.db2.gz SKPPKBVHYIOFPC-UHFFFAOYSA-N -1 0 311.422 3.669 50 0 DHAARM Cc1cc(-c2csc(S(=O)(=O)[N-]c3ccccc3)c2)on1 ZINC000033290256 563518542 /nfs/dbraw/zinc/51/85/42/563518542.db2.gz NXYFRXYWOVNKFV-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM CC1(CCC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)CC1 ZINC000095361660 563529490 /nfs/dbraw/zinc/52/94/90/563529490.db2.gz JXYLGWHYNGJEMM-INIZCTEOSA-N -1 0 315.413 3.671 50 0 DHAARM O=c1c2ccccc2[n-]c(=S)n1Cc1ccc(Cl)cc1 ZINC000100071927 563545911 /nfs/dbraw/zinc/54/59/11/563545911.db2.gz DVWVZXIDBCWYLW-UHFFFAOYSA-N -1 0 302.786 3.761 50 0 DHAARM O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2[nH]1 ZINC000100129753 563546464 /nfs/dbraw/zinc/54/64/64/563546464.db2.gz HLFLVOZRBQERNR-UHFFFAOYSA-N -1 0 310.744 3.775 50 0 DHAARM O=Cc1c([O-])ccc2cc(-c3nc4ccccc4s3)c(=O)oc21 ZINC000000308007 563587276 /nfs/dbraw/zinc/58/72/76/563587276.db2.gz LADXFKUTVYNBSN-UHFFFAOYSA-N -1 0 323.329 3.588 50 0 DHAARM Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)[O-] ZINC000003278185 563622173 /nfs/dbraw/zinc/62/21/73/563622173.db2.gz OCZBKWWREAQOFJ-VOTSOKGWSA-N -1 0 311.168 3.644 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1F ZINC000013258713 563657886 /nfs/dbraw/zinc/65/78/86/563657886.db2.gz LAYYIVDTLAEDTC-UHFFFAOYSA-N -1 0 307.708 3.738 50 0 DHAARM Cc1ccc(C(=O)C[C@H](C(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000000517811 563661595 /nfs/dbraw/zinc/66/15/95/563661595.db2.gz YUHMKRQBVXAVHK-HNNXBMFYSA-N -1 0 307.349 3.918 50 0 DHAARM O=c1nc(CN2CCC[C@@H]2c2ccsc2)[n-]c2ccsc21 ZINC000044977601 563687501 /nfs/dbraw/zinc/68/75/01/563687501.db2.gz FYYQJYCNLNUQLW-GFCCVEGCSA-N -1 0 317.439 3.796 50 0 DHAARM Cn1nccc1-c1cccc(-c2ncc(C(=O)[O-])cc2Cl)c1 ZINC000216153700 563708136 /nfs/dbraw/zinc/70/81/36/563708136.db2.gz SNAPNLYYNYVPOP-UHFFFAOYSA-N -1 0 313.744 3.501 50 0 DHAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCC2(C1)CCCCCC2 ZINC000299757274 563805005 /nfs/dbraw/zinc/80/50/05/563805005.db2.gz JXNCAVZYRBBGEF-UHFFFAOYSA-N -1 0 318.417 3.516 50 0 DHAARM O=c1nc(-c2cccnc2)[n-]c2cc(-c3ccccc3)sc21 ZINC000053846429 563874496 /nfs/dbraw/zinc/87/44/96/563874496.db2.gz FFGVUYBJVRLMKY-UHFFFAOYSA-N -1 0 305.362 3.714 50 0 DHAARM C[C@@H]1CCCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)C1 ZINC000064588989 563890421 /nfs/dbraw/zinc/89/04/21/563890421.db2.gz OXKWRBKGPJCQRY-GFCCVEGCSA-N -1 0 318.417 3.606 50 0 DHAARM CCCCC(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000064588911 563890516 /nfs/dbraw/zinc/89/05/16/563890516.db2.gz KOUHNQWKRGZHGF-ZDUSSCGKSA-N -1 0 318.417 3.750 50 0 DHAARM Cc1ccc(Cl)cc1Nc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000036080472 563893065 /nfs/dbraw/zinc/89/30/65/563893065.db2.gz BGHAFZJOLXZLBE-UHFFFAOYSA-N -1 0 312.760 3.537 50 0 DHAARM O=S(=O)([N-]c1ccccc1SC(F)F)c1ccccc1 ZINC000007055871 563901976 /nfs/dbraw/zinc/90/19/76/563901976.db2.gz ARHNUYJXNHFABP-UHFFFAOYSA-N -1 0 315.366 3.802 50 0 DHAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000007402247 563906275 /nfs/dbraw/zinc/90/62/75/563906275.db2.gz TYPYZXSTYRLXPM-UHFFFAOYSA-N -1 0 308.211 3.856 50 0 DHAARM CN(Cc1ccccc1)c1c(Cl)cnc(C(=O)[O-])c1Cl ZINC000002202057 563917362 /nfs/dbraw/zinc/91/73/62/563917362.db2.gz IWLSFWBDTCYRHE-UHFFFAOYSA-N -1 0 311.168 3.723 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000002773401 563920819 /nfs/dbraw/zinc/92/08/19/563920819.db2.gz RPUFBGAIJXSOAN-VHSXEESVSA-N -1 0 316.184 3.823 50 0 DHAARM O=C([O-])CCCCCNC(=O)c1ccccc1-c1ccccc1 ZINC000095377530 563931069 /nfs/dbraw/zinc/93/10/69/563931069.db2.gz UIQBGJFPFMDYOL-UHFFFAOYSA-N -1 0 311.381 3.728 50 0 DHAARM Cc1cccc(/C=C2/Sc3ccc(C(=O)[O-])cc3NC2=O)c1 ZINC000003030367 563941618 /nfs/dbraw/zinc/94/16/18/563941618.db2.gz HHYPTMJGXFQDCH-OVCLIPMQSA-N -1 0 311.362 3.779 50 0 DHAARM C[C@@H]1CCc2nc(-c3cc4ccc([O-])cc4oc3=O)sc2C1 ZINC000003168759 563942494 /nfs/dbraw/zinc/94/24/94/563942494.db2.gz LHQJCMABASVDMR-SECBINFHSA-N -1 0 313.378 3.747 50 0 DHAARM CCCCC(=O)Nc1ccc(N2CCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC000058064969 563943425 /nfs/dbraw/zinc/94/34/25/563943425.db2.gz LNAJTXMKHHCWLE-ZDUSSCGKSA-N -1 0 318.417 3.750 50 0 DHAARM Cc1ccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)cc1C ZINC000038487452 563948194 /nfs/dbraw/zinc/94/81/94/563948194.db2.gz VZZODDDNXCRCRK-UHFFFAOYSA-N -1 0 317.348 3.862 50 0 DHAARM CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000009270005 563954559 /nfs/dbraw/zinc/95/45/59/563954559.db2.gz DCUPDPBOZCBVDX-RCBQFDQVSA-N -1 0 319.401 3.693 50 0 DHAARM O=C([O-])c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1Cl ZINC000020137129 600477539 /nfs/dbraw/zinc/47/75/39/600477539.db2.gz NHZUSNRXPWXWLL-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000000049002 956860492 /nfs/dbraw/zinc/86/04/92/956860492.db2.gz ZUKUXWXGJZNLQU-UHFFFAOYSA-N -1 0 315.394 3.886 50 0 DHAARM O=C([O-])COc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 ZINC000007713111 956881128 /nfs/dbraw/zinc/88/11/28/956881128.db2.gz MZQNGUPVTQNSRA-XBXARRHUSA-N -1 0 321.332 3.574 50 0 DHAARM C[C@@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000095424111 185361451 /nfs/dbraw/zinc/36/14/51/185361451.db2.gz LVICNXSMBMXUJQ-AWEZNQCLSA-N -1 0 317.429 3.650 50 0 DHAARM COc1ccccc1-c1cccc(C[C@@]2(C(=O)[O-])CCCO2)c1 ZINC000072372216 191139490 /nfs/dbraw/zinc/13/94/90/191139490.db2.gz ZWHDXDGHDNVCFS-LJQANCHMSA-N -1 0 312.365 3.539 50 0 DHAARM Cc1cc(C)cc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccccc2)c1 ZINC000000297074 180751284 /nfs/dbraw/zinc/75/12/84/180751284.db2.gz IHNVKIUGXGRGDJ-INIZCTEOSA-N -1 0 311.381 3.576 50 0 DHAARM Cc1ccc2oc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)nc2c1 ZINC000000544641 180818251 /nfs/dbraw/zinc/81/82/51/180818251.db2.gz OUQRNCFQXYUTKL-UHFFFAOYSA-N -1 0 324.336 3.607 50 0 DHAARM CC(C)(C)OC(=O)N1CCC(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000002391767 180922603 /nfs/dbraw/zinc/92/26/03/180922603.db2.gz WXZKWAQGBFLWDT-UHFFFAOYSA-N -1 0 319.401 3.574 50 0 DHAARM O=C([O-])/C=C/c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000003316921 181004289 /nfs/dbraw/zinc/00/42/89/181004289.db2.gz SBVOFXWCULDIMN-QLCVYAKKSA-N -1 0 314.181 3.656 50 0 DHAARM Cc1oc2c(cc3c(C)c(CCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000004040809 181066258 /nfs/dbraw/zinc/06/62/58/181066258.db2.gz MHQHNEYOTQWCIJ-UHFFFAOYSA-N -1 0 314.337 3.790 50 0 biogenic DHAARM O=C([O-])Cc1ccc(NCc2ccc(Br)cc2)cc1 ZINC000004638822 181130549 /nfs/dbraw/zinc/13/05/49/181130549.db2.gz LXHMJJURDUVLPT-UHFFFAOYSA-N -1 0 320.186 3.688 50 0 DHAARM Cc1cccc(C)c1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004651518 181132083 /nfs/dbraw/zinc/13/20/83/181132083.db2.gz ZTXFNELASGUFNI-CABCVRRESA-N -1 0 301.386 3.689 50 0 DHAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CCCc1ccccc1 ZINC000004915550 181172449 /nfs/dbraw/zinc/17/24/49/181172449.db2.gz XAXJABVDJAQYPB-UHFFFAOYSA-N -1 0 317.772 4.000 50 0 DHAARM O=C([O-])CNc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000005254067 181222109 /nfs/dbraw/zinc/22/21/09/181222109.db2.gz XXIMMYBCFAYQEV-UHFFFAOYSA-N -1 0 319.320 3.540 50 0 DHAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](/C=C/c2ccccc2)N1 ZINC000005515243 181252555 /nfs/dbraw/zinc/25/25/55/181252555.db2.gz NYBRWZYJSBALAQ-NDZBKKTDSA-N -1 0 318.376 3.521 50 0 DHAARM CC(C)c1ccc([C@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1 ZINC000005522967 181253230 /nfs/dbraw/zinc/25/32/30/181253230.db2.gz PGJQECXMMIIEJK-SFHVURJKSA-N -1 0 323.392 3.982 50 0 DHAARM O=c1c2ccc([O-])cc2occ1-c1ccc(Br)cc1 ZINC000005731171 181277822 /nfs/dbraw/zinc/27/78/22/181277822.db2.gz NGCRKXKWFTUSKG-UHFFFAOYSA-N -1 0 317.138 3.928 50 0 biogenic DHAARM O=c1c2c([n-]c(=S)n1Cc1ccco1)sc1c2CCCC1 ZINC000005928476 181297452 /nfs/dbraw/zinc/29/74/52/181297452.db2.gz UZNIXIMNLQKJLE-UHFFFAOYSA-N -1 0 318.423 3.641 50 0 DHAARM C[C@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1cccc(F)c1 ZINC000237523143 202270855 /nfs/dbraw/zinc/27/08/55/202270855.db2.gz XQKMFBMIWPVZBQ-CJNGLKHVSA-N -1 0 321.392 3.565 50 0 DHAARM O=C([O-])c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000006093932 181312012 /nfs/dbraw/zinc/31/20/12/181312012.db2.gz QJTJIQBSZLFWFS-UHFFFAOYSA-N -1 0 309.165 3.971 50 0 world DHAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006348428 181333371 /nfs/dbraw/zinc/33/33/71/181333371.db2.gz YIDNFTLPZKUVRU-UHFFFAOYSA-N -1 0 319.426 3.730 50 0 DHAARM O=C([O-])Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000006700163 181373106 /nfs/dbraw/zinc/37/31/06/181373106.db2.gz IGDFOGHRTZOXND-UHFFFAOYSA-N -1 0 304.733 3.611 50 0 DHAARM O=C([O-])c1csc(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000261494885 203073819 /nfs/dbraw/zinc/07/38/19/203073819.db2.gz PSLFKGSMRGCXCO-UHFFFAOYSA-N -1 0 308.668 3.576 50 0 DHAARM CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000007885547 181505017 /nfs/dbraw/zinc/50/50/17/181505017.db2.gz RVNULUDMUBBQFC-PXAZEXFGSA-N -1 0 324.380 3.750 50 0 DHAARM O=C([O-])CCCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000009058153 181599623 /nfs/dbraw/zinc/59/96/23/181599623.db2.gz VYERFUFOIGVHFL-UHFFFAOYSA-N -1 0 309.671 3.552 50 0 DHAARM COc1ccc(CCC(=O)[O-])cc1OCCCc1ccccc1 ZINC000011994039 181722506 /nfs/dbraw/zinc/72/25/06/181722506.db2.gz UMKOCBBZVRFCDQ-UHFFFAOYSA-N -1 0 314.381 3.724 50 0 DHAARM O=C([O-])c1cccc(OCc2ccccc2Br)c1 ZINC000019803341 182151448 /nfs/dbraw/zinc/15/14/48/182151448.db2.gz JGPQVNAZNGNLHT-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM O=C([O-])/C=C/c1ccc(-c2ccc(Br)cc2F)o1 ZINC000020159995 182193855 /nfs/dbraw/zinc/19/38/55/182193855.db2.gz IIBNHXPKQLRVQH-ZZXKWVIFSA-N -1 0 311.106 3.946 50 0 DHAARM COc1ccc(-c2noc([N-]c3ccc(F)cc3F)n2)cc1 ZINC000020379255 182212844 /nfs/dbraw/zinc/21/28/44/182212844.db2.gz UJNXCTJLPKZSFQ-UHFFFAOYSA-N -1 0 303.268 3.767 50 0 DHAARM O=[P@]([O-])(CCc1ccccc1)Cc1nc2ccccc2[nH]1 ZINC000020727373 182244066 /nfs/dbraw/zinc/24/40/66/182244066.db2.gz FOHHJNBCYKTXFU-UHFFFAOYSA-N -1 0 300.298 3.576 50 0 DHAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc(C)c(F)c3)c12 ZINC000021715852 182284755 /nfs/dbraw/zinc/28/47/55/182284755.db2.gz HJOUDQNDTFROER-UHFFFAOYSA-N -1 0 317.345 3.889 50 0 DHAARM CC(=O)Nc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000021715205 182284836 /nfs/dbraw/zinc/28/48/36/182284836.db2.gz TWHGOPITLAJTSK-UHFFFAOYSA-N -1 0 321.336 3.635 50 0 DHAARM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)[O-] ZINC000032627898 182651402 /nfs/dbraw/zinc/65/14/02/182651402.db2.gz XDXNWGSHUJVNTH-UHFFFAOYSA-N -1 0 313.737 3.800 50 0 DHAARM O=C(C=C([O-])c1ccc(Br)cc1)c1ccccc1O ZINC000100892059 193805647 /nfs/dbraw/zinc/80/56/47/193805647.db2.gz QFSHCLURRGHULI-UHFFFAOYSA-N -1 0 319.154 3.610 50 0 DHAARM O=C([N-]c1ccccc1SC1CCCC1)c1cccc[n+]1[O-] ZINC000058103825 184075641 /nfs/dbraw/zinc/07/56/41/184075641.db2.gz ZBIPHKONNUFMDG-UHFFFAOYSA-N -1 0 314.410 3.607 50 0 DHAARM O=C([O-])c1cccc(-c2nc3cc(Br)ccc3[nH]2)c1 ZINC000061811136 184188475 /nfs/dbraw/zinc/18/84/75/184188475.db2.gz AWDGNXZOMQMFEJ-UHFFFAOYSA-N -1 0 317.142 3.691 50 0 DHAARM Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000062664625 184247047 /nfs/dbraw/zinc/24/70/47/184247047.db2.gz HDJUOGIUDJDAKC-UHFFFAOYSA-N -1 0 307.708 3.738 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)cc1 ZINC000065031183 184308884 /nfs/dbraw/zinc/30/88/84/184308884.db2.gz PTMFGNRZFROCKY-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM CC(C)(C)OC(=O)Nc1ccc(-c2ncccc2C(=O)[O-])cc1 ZINC000065349252 184326577 /nfs/dbraw/zinc/32/65/77/184326577.db2.gz IQIATTSOJFUXNS-UHFFFAOYSA-N -1 0 314.341 3.794 50 0 DHAARM O=C([O-])CCc1ccc(-c2ccc(Cn3ccnc3)cc2)cc1 ZINC000534590268 334294181 /nfs/dbraw/zinc/29/41/81/334294181.db2.gz RDMFZSRWLRUOCN-UHFFFAOYSA-N -1 0 306.365 3.616 50 0 DHAARM O=C([O-])c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000048806946 563699949 /nfs/dbraw/zinc/69/99/49/563699949.db2.gz JSJQAGGOTOTNFL-UHFFFAOYSA-N -1 0 311.671 3.569 50 0 DHAARM O=S(=O)(NC1CCCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000007141400 563336828 /nfs/dbraw/zinc/33/68/28/563336828.db2.gz HFYZZKWJJFZJEY-UHFFFAOYSA-N -1 0 322.257 3.995 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000000294157 563237111 /nfs/dbraw/zinc/23/71/11/563237111.db2.gz YWMOHGQQVHRBJF-RKDXNWHRSA-N -1 0 316.184 3.823 50 0 DHAARM COc1ccc(C(=O)[O-])cc1COc1ccc(Cl)c(C)c1 ZINC000000373394 563246593 /nfs/dbraw/zinc/24/65/93/563246593.db2.gz VLPQYVCWRMLLEA-UHFFFAOYSA-N -1 0 306.745 3.934 50 0 DHAARM Cc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1C ZINC000000423482 563252703 /nfs/dbraw/zinc/25/27/03/563252703.db2.gz UDJQGDDDOQDHFT-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)[O-])cc1 ZINC000000453254 563256802 /nfs/dbraw/zinc/25/68/02/563256802.db2.gz VKOYKKRRVGLIMR-VAWYXSNFSA-N -1 0 304.349 3.946 50 0 DHAARM CCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000000619196 563270579 /nfs/dbraw/zinc/27/05/79/563270579.db2.gz NEHHEQCYWQTQAB-UHFFFAOYSA-N -1 0 319.426 3.675 50 0 DHAARM O=C([O-])c1cc(-c2cccs2)nn1-c1cccc(Cl)c1 ZINC000002522283 563307826 /nfs/dbraw/zinc/30/78/26/563307826.db2.gz SZZHAVDDSRRPIB-UHFFFAOYSA-N -1 0 304.758 3.952 50 0 DHAARM CC(C)c1ccc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 ZINC000002585616 563310467 /nfs/dbraw/zinc/31/04/67/563310467.db2.gz ZLUXRQGEUCGUFS-AWEZNQCLSA-N -1 0 307.390 3.851 50 0 DHAARM COc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1OC ZINC000002749661 563312660 /nfs/dbraw/zinc/31/26/60/563312660.db2.gz NRLPAVYSIQVPHK-UHFFFAOYSA-N -1 0 323.348 3.926 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000001640132 563335831 /nfs/dbraw/zinc/33/58/31/563335831.db2.gz HPVQBLAIZMVNQY-NXEZZACHSA-N -1 0 315.291 3.535 50 0 DHAARM CC(C)COc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008723005 563349709 /nfs/dbraw/zinc/34/97/09/563349709.db2.gz WSXYVWNIJHEZJR-KGLIPLIRSA-N -1 0 319.401 3.551 50 0 DHAARM Cc1nn(-c2ccc(F)cc2)c2nc(C)c(Cl)c(C(=O)[O-])c12 ZINC000012396241 563368302 /nfs/dbraw/zinc/36/83/02/563368302.db2.gz WUHLZIPBRIHJET-UHFFFAOYSA-N -1 0 319.723 3.528 50 0 DHAARM Cc1ccc(CN[C@@H](c2ccc(C)cc2C)[P@@](=O)([O-])O)cc1 ZINC000012997470 563376617 /nfs/dbraw/zinc/37/66/17/563376617.db2.gz JSHUXALHHSMGIJ-QGZVFWFLSA-N -1 0 319.341 3.578 50 0 DHAARM CC[C@@](C)(CC(=O)[O-])CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000014135757 563396351 /nfs/dbraw/zinc/39/63/51/563396351.db2.gz QOEHKQMUPTUOHK-OAHLLOKOSA-N -1 0 313.781 3.568 50 0 DHAARM CC(C)c1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000032913672 563411593 /nfs/dbraw/zinc/41/15/93/563411593.db2.gz OHRDFTGVZZKLBK-UHFFFAOYSA-N -1 0 314.370 3.569 50 0 DHAARM O=C(c1cnn(-c2ccccc2F)c1)c1cc(Cl)ccc1[O-] ZINC000028740773 563432215 /nfs/dbraw/zinc/43/22/15/563432215.db2.gz WQSQNUILEWGRIM-UHFFFAOYSA-N -1 0 316.719 3.601 50 0 DHAARM COc1ccc(/C=C/c2nc(C)nc(-c3ccccc3[O-])n2)cc1 ZINC000030781698 563439021 /nfs/dbraw/zinc/43/90/21/563439021.db2.gz ZAQIJRYDBOLWCY-FMIVXFBMSA-N -1 0 319.364 3.732 50 0 DHAARM COc1cc2c(cc1OC)-c1nc3ccccc3c(C(=O)[O-])c1C2 ZINC000031775796 563440608 /nfs/dbraw/zinc/44/06/08/563440608.db2.gz ZEDLSMFUNOJCLH-UHFFFAOYSA-N -1 0 321.332 3.521 50 0 biogenic DHAARM Cc1ccc(-c2ccc(Nc3cccc(C(=O)[O-])c3)nn2)cc1 ZINC000032920048 563444278 /nfs/dbraw/zinc/44/42/78/563444278.db2.gz ILPKJCCKFNAVJR-UHFFFAOYSA-N -1 0 305.337 3.894 50 0 DHAARM Cc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)no1 ZINC000000212590 563447087 /nfs/dbraw/zinc/44/70/87/563447087.db2.gz UCXNRUMSYQRPPP-UHFFFAOYSA-N -1 0 320.414 3.832 50 0 aggregator DHAARM CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000034439255 563448733 /nfs/dbraw/zinc/44/87/33/563448733.db2.gz SFKKGJIKDGSCQC-UHFFFAOYSA-N -1 0 305.252 3.751 50 0 DHAARM O=C([O-])c1ccc(Br)cc1OCc1ccccc1 ZINC000037475138 563458009 /nfs/dbraw/zinc/45/80/09/563458009.db2.gz BFEVNLBJIJNYRW-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM O=C([O-])C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000071978968 563501825 /nfs/dbraw/zinc/50/18/25/563501825.db2.gz MWXCWRZVUVDGSI-OAHLLOKOSA-N -1 0 300.745 3.732 50 0 DHAARM CC(=O)c1ccc(-c2nccn2-c2cc(C(=O)[O-])ccc2F)cc1 ZINC000077455023 563510847 /nfs/dbraw/zinc/51/08/47/563510847.db2.gz POLDNRVHKPTNKM-UHFFFAOYSA-N -1 0 324.311 3.579 50 0 DHAARM Cc1ccc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)cc1C ZINC000000097676 563536648 /nfs/dbraw/zinc/53/66/48/563536648.db2.gz AOWNFIRTSCJTCQ-KSSFIOAISA-N -1 0 303.402 3.769 50 0 DHAARM O=C([O-])CC[C@@H]1CCCCN1Cc1c(Cl)cncc1Cl ZINC000097480336 563539319 /nfs/dbraw/zinc/53/93/19/563539319.db2.gz LTIZSILIEFXDIK-JTQLQIEISA-N -1 0 317.216 3.608 50 0 DHAARM CC(C)CCn1c(=O)c2sc3ncccc3c2[n-]c1=S ZINC000100020936 563545023 /nfs/dbraw/zinc/54/50/23/563545023.db2.gz XYYPNHMXBQBJOH-UHFFFAOYSA-N -1 0 305.428 3.715 50 0 DHAARM COc1ccc(-c2cc(=O)n(-c3ccccc3C)[n-]2)cc1OC ZINC000100072143 563545924 /nfs/dbraw/zinc/54/59/24/563545924.db2.gz LEGLDKSCALEPRS-UHFFFAOYSA-N -1 0 310.353 3.571 50 0 DHAARM CCCn1c2ccccc2c([O-])c(-c2nc3ccccc3[nH]2)c1=O ZINC000100498578 563551468 /nfs/dbraw/zinc/55/14/68/563551468.db2.gz MDHJBIVJWTTXGC-UHFFFAOYSA-N -1 0 319.364 3.660 50 0 DHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000014255554 563564989 /nfs/dbraw/zinc/56/49/89/563564989.db2.gz HZGSDURYGBFLSD-UHFFFAOYSA-N -1 0 311.353 3.636 50 0 DHAARM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000000188404 563576189 /nfs/dbraw/zinc/57/61/89/563576189.db2.gz OJMANMVCSXEGQL-UHFFFAOYSA-N -1 0 315.394 3.886 50 0 DHAARM Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F ZINC000000257224 563582506 /nfs/dbraw/zinc/58/25/06/563582506.db2.gz LBOTVCGVALXEGK-UHFFFAOYSA-N -1 0 309.209 3.734 50 0 DHAARM COc1ccc(Sc2ccc(C(=O)[O-])cc2NC(C)=O)cc1 ZINC000000257753 563582840 /nfs/dbraw/zinc/58/28/40/563582840.db2.gz JIHYXDICDVCGBJ-UHFFFAOYSA-N -1 0 317.366 3.503 50 0 biogenic DHAARM O=c1c2sc3ccccc3c2[n-]c(=S)n1Cc1ccco1 ZINC000000424647 563612282 /nfs/dbraw/zinc/61/22/82/563612282.db2.gz KMNCHSLGJHRYDA-UHFFFAOYSA-N -1 0 314.391 3.915 50 0 DHAARM Cc1cc(S(=O)(=O)[N-]c2ncccc2Cl)sc1Cl ZINC000188449640 563619468 /nfs/dbraw/zinc/61/94/68/563619468.db2.gz IBETUNJEROWJDH-UHFFFAOYSA-N -1 0 323.226 3.559 50 0 DHAARM CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013187012 563657217 /nfs/dbraw/zinc/65/72/17/563657217.db2.gz HHQIOZNZSPKSTP-UHFFFAOYSA-N -1 0 319.744 3.689 50 0 DHAARM CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(C)n1 ZINC000222548935 563725662 /nfs/dbraw/zinc/72/56/62/563725662.db2.gz YBEVRDLNMKMCNZ-CYBMUJFWSA-N -1 0 304.777 3.630 50 0 DHAARM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cc2ccccc2o1 ZINC000029010814 563757028 /nfs/dbraw/zinc/75/70/28/563757028.db2.gz MOCXJJCXYXBKIE-LLVKDONJSA-N -1 0 303.358 3.501 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc(F)cc1F ZINC000001120178 563788987 /nfs/dbraw/zinc/78/89/87/563788987.db2.gz FUOYJOHIIKHTFH-UHFFFAOYSA-N -1 0 306.268 3.615 50 0 DHAARM Fc1cc([S-])c(F)c(Br)c1Br ZINC000263623919 563794439 /nfs/dbraw/zinc/79/44/39/563794439.db2.gz LVEKBEIRCVZIPR-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM O=C([O-])c1ccc(-c2oc3ccc(Cl)cc3c(=O)c2O)cc1 ZINC000031773436 563797674 /nfs/dbraw/zinc/79/76/74/563797674.db2.gz TXIYAUUTZRSRQW-UHFFFAOYSA-N -1 0 316.696 3.517 50 0 DHAARM O=[P@@]([O-])(O)C1(Nc2ccc(OC(F)F)cc2)CCCCC1 ZINC000012537699 563799215 /nfs/dbraw/zinc/79/92/15/563799215.db2.gz PHNYZYUKTICPGY-UHFFFAOYSA-N -1 0 321.260 3.538 50 0 DHAARM O=C([O-])c1cnc(-c2ccccc2)nc1Sc1ccccc1 ZINC000001386394 563814944 /nfs/dbraw/zinc/81/49/44/563814944.db2.gz VMNWBZBIDVMIPG-UHFFFAOYSA-N -1 0 308.362 3.993 50 0 DHAARM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000012759180 563824965 /nfs/dbraw/zinc/82/49/65/563824965.db2.gz SRFNPRHSWNNIOL-SNVBAGLBSA-N -1 0 319.357 3.643 50 0 DHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000006848948 563897016 /nfs/dbraw/zinc/89/70/16/563897016.db2.gz OCJGRKZKQSBPLD-SJORKVTESA-N -1 0 313.397 3.561 50 0 DHAARM O=C([O-])c1cccc(-c2ccccc2OC[C@H]2CCOC2)c1F ZINC000579259637 563917221 /nfs/dbraw/zinc/91/72/21/563917221.db2.gz YXSOIECNLFYPPU-LBPRGKRZSA-N -1 0 316.328 3.606 50 0 DHAARM C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1cc(F)ccc1F ZINC000095963493 563932679 /nfs/dbraw/zinc/93/26/79/563932679.db2.gz UFBKEARLFYCLPC-ZETCQYMHSA-N -1 0 314.234 3.867 50 0 DHAARM C[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ncc[nH]2)C1 ZINC000096310779 563936290 /nfs/dbraw/zinc/93/62/90/563936290.db2.gz FGBNZXYHHOOLPM-KPMWUXBGSA-N -1 0 319.364 3.779 50 0 DHAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000002570986 563939306 /nfs/dbraw/zinc/93/93/06/563939306.db2.gz PTTOAHLULPCTIH-CQSZACIVSA-N -1 0 321.735 3.617 50 0 DHAARM Cc1nc(S[C@@H](C(=O)[O-])c2ccccc2)nc2ccccc12 ZINC000004247149 563945612 /nfs/dbraw/zinc/94/56/12/563945612.db2.gz HFSUEOGNDQOATQ-OAHLLOKOSA-N -1 0 310.378 3.856 50 0 DHAARM COc1ccc(C(C)(C)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000039930446 563951296 /nfs/dbraw/zinc/95/12/96/563951296.db2.gz PIVIWOJEWDOXQD-UHFFFAOYSA-N -1 0 300.354 3.728 50 0 DHAARM O=C([N-]OCc1ccccc1)C1(c2ccc(Cl)cc2)CC1 ZINC000008982877 563951634 /nfs/dbraw/zinc/95/16/34/563951634.db2.gz UKEMNQDEMLDOBU-UHFFFAOYSA-N -1 0 301.773 3.620 50 0 DHAARM O=c1nc(CSCc2ccc(F)cc2)[n-]c2ccsc21 ZINC000009585645 563957034 /nfs/dbraw/zinc/95/70/34/563957034.db2.gz YYMJUECGYPUANZ-UHFFFAOYSA-N -1 0 306.387 3.557 50 0 DHAARM Cc1ccc(Cn2nc(-c3ccc(F)cc3)cc2C(=O)[O-])cc1 ZINC000044672158 568413002 /nfs/dbraw/zinc/41/30/02/568413002.db2.gz LCROCWMOMDNQSY-UHFFFAOYSA-N -1 0 310.328 3.744 50 0 DHAARM CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])c1cccc(Cl)c1 ZINC000069550208 939032123 /nfs/dbraw/zinc/03/21/23/939032123.db2.gz ZFXCWFMTTICYJN-OAHLLOKOSA-N -1 0 313.781 3.555 50 0 DHAARM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccccc1Cl ZINC000035135353 1015393717 /nfs/dbraw/zinc/39/37/17/1015393717.db2.gz QQFRTXMPVBRLHM-SNVBAGLBSA-N -1 0 303.745 3.529 50 0 DHAARM O=C([O-])c1ccc2nc(/C=C\c3cnc4ccccn34)sc2c1 ZINC000606443571 1019544815 /nfs/dbraw/zinc/54/48/15/1019544815.db2.gz OIZVIGFBVNDBSY-ALCCZGGFSA-N -1 0 321.361 3.813 50 0 DHAARM CC[C@H](O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003149469 1020058065 /nfs/dbraw/zinc/05/80/65/1020058065.db2.gz JMDRSUYRUDUONP-GOEBONIOSA-N -1 0 324.376 3.792 50 0 DHAARM CCC1CCC(CC(=O)[O-])(NC(=O)OCc2ccccc2)CC1 ZINC000686788529 1028876302 /nfs/dbraw/zinc/87/63/02/1028876302.db2.gz RXCSNVGLSTWZPV-UHFFFAOYSA-N -1 0 319.401 3.727 50 0 DHAARM O=C([O-])c1ccc(C=Nn2cc(-c3ccccc3)[nH]c2=S)cc1 ZINC000012485945 1029236214 /nfs/dbraw/zinc/23/62/14/1029236214.db2.gz NVEZQJOHJFDWDI-UHFFFAOYSA-N -1 0 323.377 3.793 50 0 DHAARM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000012993154 1029958672 /nfs/dbraw/zinc/95/86/72/1029958672.db2.gz KJCCLYSDOWQVLG-KPKJPENVSA-N -1 0 321.376 3.916 50 0 DHAARM Cc1[n-]n(-c2nc(-c3cccc(Cl)c3)cs2)c(=O)c1C ZINC000005723198 1030254461 /nfs/dbraw/zinc/25/44/61/1030254461.db2.gz QRWNFVNFLWCUFZ-MRVPVSSYSA-N -1 0 305.790 3.822 50 0 DHAARM O=C([O-])c1ccc(NN=C2CCSc3c(F)cccc32)cc1 ZINC000254683176 1038009534 /nfs/dbraw/zinc/00/95/34/1038009534.db2.gz RTNQGOBDMVSUGZ-UHFFFAOYSA-N -1 0 316.357 3.836 50 0 DHAARM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1csc(C2CC2)n1 ZINC000079036762 185147932 /nfs/dbraw/zinc/14/79/32/185147932.db2.gz YCESGDLYRPXDKG-QMMMGPOBSA-N -1 0 322.817 3.871 50 0 DHAARM COc1ccc([C@@H](C)c2ccccc2)cc1C(=O)CCC(=O)[O-] ZINC000071770761 191030573 /nfs/dbraw/zinc/03/05/73/191030573.db2.gz MVSXBEHXWIMCBV-ZDUSSCGKSA-N -1 0 312.365 3.895 50 0 DHAARM O=C([O-])C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000072345698 191128076 /nfs/dbraw/zinc/12/80/76/191128076.db2.gz PDSAGBAVSLUCDV-UHFFFAOYSA-N -1 0 314.356 3.917 50 0 DHAARM C[C@H](c1ccccc1)[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000000032289 180672546 /nfs/dbraw/zinc/67/25/46/180672546.db2.gz UAJHBFHNGNEZJR-WBMJQRKESA-N -1 0 315.344 3.659 50 0 DHAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Cl)s1 ZINC000000811973 180834303 /nfs/dbraw/zinc/83/43/03/180834303.db2.gz XFVWVJAZZQKIOM-UHFFFAOYSA-N -1 0 308.211 3.856 50 0 DHAARM Cn1nc(CSc2ccccc2)c2cc(C(=O)[O-])sc21 ZINC000003855974 181050081 /nfs/dbraw/zinc/05/00/81/181050081.db2.gz NMNHKBJLZXNKHH-UHFFFAOYSA-N -1 0 304.396 3.625 50 0 DHAARM CC(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 ZINC000003884262 181052411 /nfs/dbraw/zinc/05/24/11/181052411.db2.gz ZLUXRQGEUCGUFS-CQSZACIVSA-N -1 0 307.390 3.851 50 0 DHAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 ZINC000004327614 181098642 /nfs/dbraw/zinc/09/86/42/181098642.db2.gz TXNAEPDZQBVYBI-UHFFFAOYSA-N -1 0 318.332 3.660 50 0 DHAARM C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1)[N+](=O)[O-] ZINC000004471726 181111379 /nfs/dbraw/zinc/11/13/79/181111379.db2.gz JQQGYERTYGVRFV-SOFGYWHQSA-N -1 0 307.689 3.936 50 0 DHAARM CCc1cc2c(nc(C)nc2NCCCCCC(=O)[O-])s1 ZINC000004476216 181112126 /nfs/dbraw/zinc/11/21/26/181112126.db2.gz QGYAYXGEMGDBNO-UHFFFAOYSA-N -1 0 307.419 3.619 50 0 DHAARM O=C([O-])C[C@H](NC(=O)Nc1ccccc1)c1cccc(Cl)c1 ZINC000004654088 181132961 /nfs/dbraw/zinc/13/29/61/181132961.db2.gz CBBGNOMFGORYAJ-AWEZNQCLSA-N -1 0 318.760 3.678 50 0 DHAARM O=C([O-])CCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004613922 181129930 /nfs/dbraw/zinc/12/99/30/181129930.db2.gz KFRHJVHDSAHKEN-UHFFFAOYSA-N -1 0 324.789 3.657 50 0 DHAARM CC[C@@H](C)c1ccc(OCc2n[n-]c(=NC(=O)OC)s2)cc1 ZINC000004694993 181137775 /nfs/dbraw/zinc/13/77/75/181137775.db2.gz GRRIVRQDFXWMMG-SNVBAGLBSA-N -1 0 321.402 3.809 50 0 DHAARM O=C([O-])CCCC(=O)Nc1ccc2oc3c(c2c1)CCCC3 ZINC000004783961 181151611 /nfs/dbraw/zinc/15/16/11/181151611.db2.gz WYGJBOXBFWKIHE-UHFFFAOYSA-N -1 0 301.342 3.505 50 0 DHAARM Cc1cccc2sc(NC(=O)c3ccccc3C(=O)[O-])nc21 ZINC000004851774 181163323 /nfs/dbraw/zinc/16/33/23/181163323.db2.gz UKBXNDUKCZTSFM-UHFFFAOYSA-N -1 0 312.350 3.555 50 0 DHAARM Cc1cc(=O)n(CCc2nc(-c3ccc(Cl)cc3)cs2)[n-]1 ZINC000004948426 181178166 /nfs/dbraw/zinc/17/81/66/181178166.db2.gz VLIGCTCFTUROFX-UHFFFAOYSA-N -1 0 319.817 3.614 50 0 DHAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1 ZINC000005068322 181200547 /nfs/dbraw/zinc/20/05/47/181200547.db2.gz KQFHCRBTZHJJNP-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM CC(=O)c1c([O-])cc(=O)n(-c2ccccc2)c1-c1ccc(C)cc1 ZINC000005442984 181244443 /nfs/dbraw/zinc/24/44/43/181244443.db2.gz OLRHXGCVXQWWQP-UHFFFAOYSA-N -1 0 319.360 3.721 50 0 DHAARM CC1(C)[C@@H](C(=O)Nc2cccc(Cl)c2)CC[C@]1(C)C(=O)[O-] ZINC000005482338 181248515 /nfs/dbraw/zinc/24/85/15/181248515.db2.gz LVYAYVHCJMDWCN-MLGOLLRUSA-N -1 0 309.793 3.806 50 0 DHAARM Cc1ccc(CCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000237691390 202329208 /nfs/dbraw/zinc/32/92/08/202329208.db2.gz MTQWJEFXOSHDAH-AWEZNQCLSA-N -1 0 323.458 3.625 50 0 DHAARM Cc1nc2c3ccccc3oc2c(N[C@H](CC(C)C)C(=O)[O-])n1 ZINC000006223693 181320975 /nfs/dbraw/zinc/32/09/75/181320975.db2.gz BPGOPKWEDNEPJC-GFCCVEGCSA-N -1 0 313.357 3.596 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006328628 181330517 /nfs/dbraw/zinc/33/05/17/181330517.db2.gz NYNHZOFZAMITQY-NEPJUHHUSA-N -1 0 314.168 3.599 50 0 DHAARM Oc1ccc(-c2n[n-]c(=S)n2-c2ccc(Cl)cc2)c(O)c1 ZINC000006659504 181366318 /nfs/dbraw/zinc/36/63/18/181366318.db2.gz IXPQFNYRMBPQBL-UHFFFAOYSA-N -1 0 319.773 3.661 50 0 DHAARM O=C([O-])CCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000006700436 181372776 /nfs/dbraw/zinc/37/27/76/181372776.db2.gz URJZZUXQDYUNAO-UHFFFAOYSA-N -1 0 301.367 3.641 50 0 DHAARM Cc1nc(Nc2cccc(C(=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000007952018 181511138 /nfs/dbraw/zinc/51/11/38/181511138.db2.gz QUFYTUVJAYJTOE-UHFFFAOYSA-N -1 0 305.337 3.894 50 0 DHAARM O=C([O-])c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21 ZINC000012399070 181757180 /nfs/dbraw/zinc/75/71/80/181757180.db2.gz PDHTVJCBZCRINE-UHFFFAOYSA-N -1 0 315.332 3.762 50 0 DHAARM O=S(=O)([N-]c1cccc(F)c1)c1ccccc1C(F)(F)F ZINC000012761534 181794536 /nfs/dbraw/zinc/79/45/36/181794536.db2.gz IHQKUEBIXPYUKI-UHFFFAOYSA-N -1 0 319.279 3.645 50 0 DHAARM CC[C@@H](C)[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000015999129 182028637 /nfs/dbraw/zinc/02/86/37/182028637.db2.gz RPTNPRGIWVXONY-RDDDGLTNSA-N -1 0 319.188 3.614 50 0 DHAARM O=C([O-])C[C@@H](c1nccs1)c1cccc(Br)c1 ZINC000019784524 182148132 /nfs/dbraw/zinc/14/81/32/182148132.db2.gz RSXDQMUSOYKRKF-SNVBAGLBSA-N -1 0 312.188 3.512 50 0 DHAARM O=C([O-])CCSc1nnc(-c2ccccc2)c2ccccc21 ZINC000019862002 182158223 /nfs/dbraw/zinc/15/82/23/182158223.db2.gz ZLNLKXFCGLVGPC-UHFFFAOYSA-N -1 0 310.378 3.864 50 0 DHAARM COc1cc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)ccc1O ZINC000020407659 182215258 /nfs/dbraw/zinc/21/52/58/182215258.db2.gz QPKYKEUYOKGMLZ-UHFFFAOYSA-N -1 0 309.321 3.623 50 0 DHAARM CC(C)(C)OC(=O)Nc1c(OC(F)(F)F)cccc1C(=O)[O-] ZINC000020357729 182210986 /nfs/dbraw/zinc/21/09/86/182210986.db2.gz DYINHAOLKZFJQC-UHFFFAOYSA-N -1 0 321.251 3.630 50 0 DHAARM O=S(=O)([N-]c1cccc2c1CCCC2)c1cc(F)ccc1F ZINC000020627255 182240285 /nfs/dbraw/zinc/24/02/85/182240285.db2.gz NAWGPYPODDLNCT-UHFFFAOYSA-N -1 0 323.364 3.644 50 0 DHAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3ccc(C)c(F)c3)c2c1 ZINC000021657777 182282702 /nfs/dbraw/zinc/28/27/02/182282702.db2.gz JVYPZRXHCYBSDU-UHFFFAOYSA-N -1 0 310.328 3.854 50 0 DHAARM Cc1oc(-c2ccccc2)nc1Cc1nc(=O)c2sccc2[n-]1 ZINC000053847892 183914693 /nfs/dbraw/zinc/91/46/93/183914693.db2.gz HTVXUGDXMSFSNP-UHFFFAOYSA-N -1 0 323.377 3.539 50 0 DHAARM COCc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)c(C)oc21 ZINC000057312212 184032940 /nfs/dbraw/zinc/03/29/40/184032940.db2.gz MEDMKPSZYOVVDF-UHFFFAOYSA-N -1 0 314.312 3.760 50 0 DHAARM CCOCc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)coc21 ZINC000057312210 184032955 /nfs/dbraw/zinc/03/29/55/184032955.db2.gz DZRFWDYMDWMLSN-UHFFFAOYSA-N -1 0 314.312 3.841 50 0 DHAARM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(C)c3)sc2c1 ZINC000057717490 184049367 /nfs/dbraw/zinc/04/93/67/184049367.db2.gz HSPUPRSMHZPQBZ-UHFFFAOYSA-N -1 0 318.423 3.714 50 0 DHAARM COc1cccc(-c2cccc(C(=O)[O-])c2)c1Br ZINC000065336970 184324951 /nfs/dbraw/zinc/32/49/51/184324951.db2.gz NJQGNWSMEJYWGO-UHFFFAOYSA-N -1 0 307.143 3.823 50 0 DHAARM O=C([O-])c1cccc(-c2ccccc2I)c1 ZINC000065336915 184324963 /nfs/dbraw/zinc/32/49/63/184324963.db2.gz QLWJXWHADHUTOJ-UHFFFAOYSA-N -1 0 324.117 3.656 50 0 DHAARM COc1cc(-c2cccc(C(=O)[O-])c2)ccc1Br ZINC000065336971 184325133 /nfs/dbraw/zinc/32/51/33/184325133.db2.gz FLNFZDAKJAUNID-UHFFFAOYSA-N -1 0 307.143 3.823 50 0 DHAARM CCCCCc1nccc(-c2ccc(OCC)c(C(=O)[O-])c2)n1 ZINC000071763202 257270592 /nfs/dbraw/zinc/27/05/92/257270592.db2.gz QZZQHNLRLUBWLJ-UHFFFAOYSA-N -1 0 314.385 3.973 50 0 DHAARM O=C([O-])C1CCC(NC(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000262989659 337622750 /nfs/dbraw/zinc/62/27/50/337622750.db2.gz DKFXDHVKJUGKGZ-UHFFFAOYSA-N -1 0 316.401 3.719 50 0 DHAARM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)o1 ZINC000238048749 526363605 /nfs/dbraw/zinc/36/36/05/526363605.db2.gz KKSMPYHSFFBFNY-UHFFFAOYSA-N -1 0 315.325 3.552 50 0 DHAARM CCc1oc2ccccc2c1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000000004934 563211113 /nfs/dbraw/zinc/21/11/13/563211113.db2.gz XSDFWTIKVXKOGJ-UHFFFAOYSA-N -1 0 324.332 3.690 50 0 DHAARM O=S(=O)([N-]c1nc2c(cccc2Cl)s1)c1ccccc1 ZINC000000183296 563228591 /nfs/dbraw/zinc/22/85/91/563228591.db2.gz PAYHKXPTPCDBBT-UHFFFAOYSA-N -1 0 324.814 3.751 50 0 DHAARM Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000000229666 563231406 /nfs/dbraw/zinc/23/14/06/563231406.db2.gz LDMSUNMGOMPXHB-XNTDXEJSSA-N -1 0 315.756 3.504 50 0 DHAARM O=C([O-])CCSc1nc2ccccc2n1Cc1ccccc1 ZINC000000267024 563234528 /nfs/dbraw/zinc/23/45/28/563234528.db2.gz UDUOYLNQWQXCTM-UHFFFAOYSA-N -1 0 312.394 3.651 50 0 DHAARM O=S(=O)([N-]c1ccccn1)c1ccc(C2CCCCC2)cc1 ZINC000000270095 563234891 /nfs/dbraw/zinc/23/48/91/563234891.db2.gz LYIYSZJVXWQNNF-UHFFFAOYSA-N -1 0 316.426 3.930 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1C ZINC000000310720 563239814 /nfs/dbraw/zinc/23/98/14/563239814.db2.gz QFRPFTOLJNKZAW-UHFFFAOYSA-N -1 0 319.426 3.811 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000355042 563243679 /nfs/dbraw/zinc/24/36/79/563243679.db2.gz VUAMWEZSKAOCGZ-ZJUUUORDSA-N -1 0 314.168 3.599 50 0 DHAARM O=C([O-])c1ccc(COc2ccccc2Br)cc1 ZINC000000548892 563265369 /nfs/dbraw/zinc/26/53/69/563265369.db2.gz RSOSIENOPSGTLO-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000002054336 563298889 /nfs/dbraw/zinc/29/88/89/563298889.db2.gz AWHJMTRNONNROE-UHFFFAOYSA-N -1 0 319.426 3.794 50 0 DHAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(Cl)c(C)c2)cc1 ZINC000002504481 563304639 /nfs/dbraw/zinc/30/46/39/563304639.db2.gz HWKSBWGXAGJSEI-UHFFFAOYSA-N -1 0 322.813 3.613 50 0 DHAARM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002830850 563314163 /nfs/dbraw/zinc/31/41/63/563314163.db2.gz XLECDSVMKKVQGA-UHFFFAOYSA-N -1 0 313.353 3.816 50 0 DHAARM CC(=O)c1cc2c(cc1O)[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@H]1CC2 ZINC000015252715 563408315 /nfs/dbraw/zinc/40/83/15/563408315.db2.gz SAGXNMAORPXGSC-WDSOQIARSA-N -1 0 316.397 3.690 50 0 DHAARM Cc1nn(C(C)(C)C)cc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000066408081 563423466 /nfs/dbraw/zinc/42/34/66/563423466.db2.gz AOCNNYCRCXVQHY-YFHOEESVSA-N -1 0 312.369 3.541 50 0 DHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000032601937 563443141 /nfs/dbraw/zinc/44/31/41/563443141.db2.gz FCIAZDZVMJIBLR-UHFFFAOYSA-N -1 0 319.426 3.730 50 0 DHAARM COc1cccc(Oc2ncc(-c3ccc(C(=O)[O-])cc3)cn2)c1 ZINC000032918464 563443500 /nfs/dbraw/zinc/44/35/00/563443500.db2.gz MVOQCPCHFWOQJO-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM O=C([O-])c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000000619099 563448176 /nfs/dbraw/zinc/44/81/76/563448176.db2.gz FRFPHRHZTBLNKO-UHFFFAOYSA-N -1 0 304.305 3.984 50 0 DHAARM COc1cc(C)ccc1OCCCOc1ccc(C(=O)[O-])cc1 ZINC000004701980 563449630 /nfs/dbraw/zinc/44/96/30/563449630.db2.gz YXBUFRPPNDFQNY-UHFFFAOYSA-N -1 0 316.353 3.550 50 0 DHAARM O=C([O-])c1cccc(Sc2cccc(Br)c2)n1 ZINC000055306597 563473649 /nfs/dbraw/zinc/47/36/49/563473649.db2.gz YBXNVLMOGCIQDQ-UHFFFAOYSA-N -1 0 310.172 3.694 50 0 DHAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2cccs2)cc1 ZINC000096467593 563483654 /nfs/dbraw/zinc/48/36/54/563483654.db2.gz PAZOHUUJWYCLQE-UHFFFAOYSA-N -1 0 317.410 3.682 50 0 DHAARM O=C([O-])[C@@H](c1ccc(C2CCCC2)cc1)N1CCSCC1 ZINC000095375984 563529627 /nfs/dbraw/zinc/52/96/27/563529627.db2.gz JRCFHKHNHWLPEO-MRXNPFEDSA-N -1 0 305.443 3.519 50 0 DHAARM Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)cc(=O)n2[n-]1 ZINC000100312391 563592122 /nfs/dbraw/zinc/59/21/22/563592122.db2.gz ZUEIANXAXZFNTB-UHFFFAOYSA-N -1 0 324.409 3.879 50 0 DHAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000000339775 563629920 /nfs/dbraw/zinc/62/99/20/563629920.db2.gz SYNYLGLKRLSVLN-UHFFFAOYSA-N -1 0 310.806 3.659 50 0 DHAARM Cc1c(NC(=O)Cc2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC000000616126 563631815 /nfs/dbraw/zinc/63/18/15/563631815.db2.gz UPOIBBRILQUNMO-UHFFFAOYSA-N -1 0 303.745 3.528 50 0 DHAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CSc1ccccc1 ZINC000003002998 563635469 /nfs/dbraw/zinc/63/54/69/563635469.db2.gz PVALUPHVSCHVQA-UHFFFAOYSA-N -1 0 321.785 3.769 50 0 DHAARM Cc1cc(O)c(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)c1Cl ZINC000000224097 563637027 /nfs/dbraw/zinc/63/70/27/563637027.db2.gz CGZMQFSITOPGSI-CNHKJKLMSA-N -1 0 319.744 3.817 50 0 DHAARM CC[C@H](CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000000529347 563665256 /nfs/dbraw/zinc/66/52/56/563665256.db2.gz JLPGUYIBZABPAC-MRVPVSSYSA-N -1 0 304.173 3.823 50 0 DHAARM CCC(CC)(CC(=O)Nc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000048383475 563698156 /nfs/dbraw/zinc/69/81/56/563698156.db2.gz XUIKLOLCOAWNDU-UHFFFAOYSA-N -1 0 315.316 3.508 50 0 DHAARM Cc1cc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000000817653 563720752 /nfs/dbraw/zinc/72/07/52/563720752.db2.gz UJUBXJFGLIKHAW-KRWDZBQOSA-N -1 0 305.337 3.529 50 0 DHAARM O=c1c2ccc(Cl)cc2nc(-c2ccc(Cl)cc2)n1[O-] ZINC000001401798 563818794 /nfs/dbraw/zinc/81/87/94/563818794.db2.gz QISSUAOUGWMPDJ-UHFFFAOYSA-N -1 0 307.136 3.608 50 0 DHAARM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)Nc1cccc(F)c1 ZINC000012812161 563835735 /nfs/dbraw/zinc/83/57/35/563835735.db2.gz NLKARPYZNPBNSC-SNVBAGLBSA-N -1 0 319.357 3.643 50 0 DHAARM O=c1nc(Cc2ccccn2)[n-]c2cc(-c3ccccc3)sc21 ZINC000053846430 563874572 /nfs/dbraw/zinc/87/45/72/563874572.db2.gz JGLSDZGRWKWSKW-UHFFFAOYSA-N -1 0 319.389 3.637 50 0 DHAARM CC(C)(C)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000006880656 563898044 /nfs/dbraw/zinc/89/80/44/563898044.db2.gz IUNMEJTVZRKJBZ-GJZGRUSLSA-N -1 0 301.386 3.590 50 0 DHAARM O=C([O-])c1cc(NN=C2CCc3c2cccc3O)ccc1Cl ZINC000252474627 563915701 /nfs/dbraw/zinc/91/57/01/563915701.db2.gz IKUQWGGTWRQOPA-UHFFFAOYSA-N -1 0 316.744 3.506 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c(C)c1 ZINC000007709449 563918023 /nfs/dbraw/zinc/91/80/23/563918023.db2.gz XICGESJDXFNPCJ-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM O=c1c2cc(Cl)ccc2nc(-c2ccccc2Cl)n1[O-] ZINC000012959309 563929037 /nfs/dbraw/zinc/92/90/37/563929037.db2.gz IDSAWSMBCNOJIJ-UHFFFAOYSA-N -1 0 307.136 3.608 50 0 DHAARM O=C([O-])c1ccccc1SCc1nc(-c2ccsc2)no1 ZINC000012978300 563929122 /nfs/dbraw/zinc/92/91/22/563929122.db2.gz ZMAPUOPLLZIOIB-UHFFFAOYSA-N -1 0 318.379 3.789 50 0 DHAARM CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000095989940 563934269 /nfs/dbraw/zinc/93/42/69/563934269.db2.gz VKDRQFGYNOAFFF-QGZVFWFLSA-N -1 0 309.365 3.534 50 0 DHAARM CSc1ccccc1[N-]C(=S)NCCc1ccccc1 ZINC000002779123 563940813 /nfs/dbraw/zinc/94/08/13/563940813.db2.gz VEVGLLQOBYVPLD-UHFFFAOYSA-N -1 0 302.468 3.938 50 0 DHAARM CCOc1ccc(SCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000031326201 563944382 /nfs/dbraw/zinc/94/43/82/563944382.db2.gz PFJOFUVOFIMYPA-UHFFFAOYSA-N -1 0 318.423 3.676 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)s1 ZINC000069572720 563953571 /nfs/dbraw/zinc/95/35/71/563953571.db2.gz QSSDNZVEBOEIRN-UHFFFAOYSA-N -1 0 301.820 3.819 50 0 DHAARM CC[C@H](C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000013786906 948784570 /nfs/dbraw/zinc/78/45/70/948784570.db2.gz RPTNPRGIWVXONY-CPCISQLKSA-N -1 0 319.188 3.614 50 0 DHAARM O=C([O-])c1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1 ZINC000013143621 956946379 /nfs/dbraw/zinc/94/63/79/956946379.db2.gz MGNKAYVHQXZEJO-UHFFFAOYSA-N -1 0 308.259 3.850 50 0 DHAARM Cc1cc(C)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000630163085 975138296 /nfs/dbraw/zinc/13/82/96/975138296.db2.gz SZEIHLWKTQZRDG-NSHDSACASA-N -1 0 317.410 3.880 50 0 DHAARM Nc1ncc(-c2c(O)c(Cl)c(Cl)c([O-])c2Cl)s1 ZINC000196609948 1015066908 /nfs/dbraw/zinc/06/69/08/1015066908.db2.gz BKGFCODNMAMEBO-UHFFFAOYSA-N -1 0 311.577 3.764 50 0 DHAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(C)cc1C ZINC000002755191 1023291796 /nfs/dbraw/zinc/29/17/96/1023291796.db2.gz INHLOLQADVCCIS-UHFFFAOYSA-N -1 0 318.398 3.539 50 0 DHAARM Cc1nc([N-]S(=O)(=O)c2ccc3ccccc3c2)sc1C ZINC000002803444 1023292593 /nfs/dbraw/zinc/29/25/93/1023292593.db2.gz PXUAESKFJRDGQL-UHFFFAOYSA-N -1 0 318.423 3.714 50 0 DHAARM COc1ccc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)cc1O ZINC000221946346 1026109502 /nfs/dbraw/zinc/10/95/02/1026109502.db2.gz JMDPFVZRTFAMDW-KXFIGUGUSA-N -1 0 321.332 3.818 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000398699 1037848010 /nfs/dbraw/zinc/84/80/10/1037848010.db2.gz YRHPZOHJQBKKAC-VHSXEESVSA-N -1 0 314.168 3.599 50 0 DHAARM O=C([O-])c1c(-c2sccc2Br)noc1C(F)F ZINC000675057707 1038843806 /nfs/dbraw/zinc/84/38/06/1038843806.db2.gz KTHUKJXJOLONJJ-UHFFFAOYSA-N -1 0 324.102 3.801 50 0 DHAARM CC(C)c1nc(/C=C/c2cc(F)c(F)c(F)c2)ncc1C(=O)[O-] ZINC000169992385 1041026002 /nfs/dbraw/zinc/02/60/02/1041026002.db2.gz JWZCAHHBJVWQSO-ONEGZZNKSA-N -1 0 322.286 3.886 50 0 DHAARM Cc1nn2c(nc(C(=O)[O-])cc2CC(C)C)c1-c1ccccc1 ZINC000079124154 185159704 /nfs/dbraw/zinc/15/97/04/185159704.db2.gz KCSGKNISOMJICK-UHFFFAOYSA-N -1 0 309.369 3.601 50 0 DHAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc3cc[nH]c32)cc1 ZINC000097014483 185397300 /nfs/dbraw/zinc/39/73/00/185397300.db2.gz FIXGCEOZRAICRS-UHFFFAOYSA-N -1 0 322.364 3.782 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000038684 180674764 /nfs/dbraw/zinc/67/47/64/180674764.db2.gz KJJDJHRRNYTTRI-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM O=C([O-])[C@@H]1CCC[C@H]1CC(=O)c1ccc(Br)cc1 ZINC000002574433 180936554 /nfs/dbraw/zinc/93/65/54/180936554.db2.gz MPWKHQPBFZKBHK-CMPLNLGQSA-N -1 0 311.175 3.523 50 0 DHAARM O=C([O-])c1cccnc1Sc1ccc(Br)cc1 ZINC000002661409 180945543 /nfs/dbraw/zinc/94/55/43/180945543.db2.gz VEGJCWLQSIOCCF-UHFFFAOYSA-N -1 0 310.172 3.694 50 0 DHAARM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000003326418 181005339 /nfs/dbraw/zinc/00/53/39/181005339.db2.gz XGEUHHVXGLXKKP-UHFFFAOYSA-N -1 0 307.390 3.924 50 0 DHAARM O=C([O-])c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000003349686 181009778 /nfs/dbraw/zinc/00/97/78/181009778.db2.gz PPWSYOXTAUSOMB-UHFFFAOYSA-N -1 0 312.756 3.950 50 0 DHAARM O=C([O-])c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003356927 181011230 /nfs/dbraw/zinc/01/12/30/181011230.db2.gz ZAKCTTNMDJMBQF-UHFFFAOYSA-N -1 0 312.756 3.950 50 0 DHAARM O=C([O-])/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000003445819 181021108 /nfs/dbraw/zinc/02/11/08/181021108.db2.gz LTHZEHAKKYOLNA-VAWYXSNFSA-N -1 0 304.349 3.696 50 0 DHAARM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1)c1cccc(Cl)c1 ZINC000004654089 181132702 /nfs/dbraw/zinc/13/27/02/181132702.db2.gz CBBGNOMFGORYAJ-CQSZACIVSA-N -1 0 318.760 3.678 50 0 DHAARM CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)nc2C)cc1 ZINC000004628776 181130741 /nfs/dbraw/zinc/13/07/41/181130741.db2.gz YYHINIWQJKNMNI-UHFFFAOYSA-N -1 0 322.455 3.530 50 0 DHAARM CCC(CC)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004825468 181158217 /nfs/dbraw/zinc/15/82/17/181158217.db2.gz HQFGDHACKQLXCP-UHFFFAOYSA-N -1 0 314.179 3.522 50 0 DHAARM COc1ccc([C@@H]2C(C(=O)[O-])=C(C)O[C@H]2c2ccccc2)cc1 ZINC000004839598 181160653 /nfs/dbraw/zinc/16/06/53/181160653.db2.gz OMHMWPXVJHSGLF-MSOLQXFVSA-N -1 0 310.349 3.909 50 0 DHAARM O=C([O-])c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC000074942056 191392847 /nfs/dbraw/zinc/39/28/47/191392847.db2.gz KECJVGYDHQSYFK-UHFFFAOYSA-N -1 0 324.180 3.608 50 0 DHAARM Cc1cccc(C)c1-c1nccn1-c1ccc(CC(=O)[O-])cc1 ZINC000077287361 191686858 /nfs/dbraw/zinc/68/68/58/191686858.db2.gz CCBBDUIDSPOXMA-UHFFFAOYSA-N -1 0 306.365 3.783 50 0 DHAARM O=c1nc(CSc2ccccc2Cl)[n-]c2ccsc21 ZINC000005171685 181212813 /nfs/dbraw/zinc/21/28/13/181212813.db2.gz RSKGKPDGVOLDJY-UHFFFAOYSA-N -1 0 308.815 3.930 50 0 DHAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](/C=C/c2ccccc2)N1 ZINC000005515251 181252578 /nfs/dbraw/zinc/25/25/78/181252578.db2.gz NYBRWZYJSBALAQ-QTYXSNHHSA-N -1 0 318.376 3.521 50 0 DHAARM CCC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000005768088 181282056 /nfs/dbraw/zinc/28/20/56/181282056.db2.gz RASSCOORIKAIIR-MRXNPFEDSA-N -1 0 322.360 4.000 50 0 biogenic DHAARM O=C([O-])C[C@@H](c1cccc(Cl)c1)N1Cc2ccccc2C1=O ZINC000005776502 181282858 /nfs/dbraw/zinc/28/28/58/181282858.db2.gz FBGUADRZTRRUEW-HNNXBMFYSA-N -1 0 315.756 3.512 50 0 DHAARM O=C([O-])C[C@@H](c1ccccc1Cl)N1Cc2ccccc2C1=O ZINC000005776508 181282905 /nfs/dbraw/zinc/28/29/05/181282905.db2.gz AZQHEZREKZAMPQ-HNNXBMFYSA-N -1 0 315.756 3.512 50 0 DHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000237999737 202414708 /nfs/dbraw/zinc/41/47/08/202414708.db2.gz VOLWSVOTWDOXSK-MDGVGCGJSA-N -1 0 315.413 3.583 50 0 DHAARM Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc12 ZINC000005955546 181300637 /nfs/dbraw/zinc/30/06/37/181300637.db2.gz DUMVNWNVKKMIMH-UHFFFAOYSA-N -1 0 324.332 3.635 50 0 biogenic DHAARM CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000006440133 181341555 /nfs/dbraw/zinc/34/15/55/181341555.db2.gz MNDHHXNRWCXHNR-RDDDGLTNSA-N -1 0 319.188 3.614 50 0 DHAARM CC1=C(C)C[C@H](C(=O)Nc2ccccc2Cl)[C@H](C(=O)[O-])C1 ZINC000006699397 181372008 /nfs/dbraw/zinc/37/20/08/181372008.db2.gz KJLDHYBSPPDMKK-NWDGAFQWSA-N -1 0 307.777 3.726 50 0 DHAARM CC(C)Sc1ccccc1C(=O)NCCCCCCC(=O)[O-] ZINC000095956958 193458835 /nfs/dbraw/zinc/45/88/35/193458835.db2.gz JLQJXAZFEXJVSE-UHFFFAOYSA-N -1 0 323.458 3.952 50 0 DHAARM Cc1nnc(SCc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000011692445 181699666 /nfs/dbraw/zinc/69/96/66/181699666.db2.gz KGXRLZIBYGJIKE-UHFFFAOYSA-N -1 0 310.378 3.929 50 0 DHAARM CCc1cccc(CC)c1NC(=O)/C(Cl)=C(/Cl)C(=O)[O-] ZINC000017176596 182078710 /nfs/dbraw/zinc/07/87/10/182078710.db2.gz JDSFJBVJTZVNIT-KHPPLWFESA-N -1 0 316.184 3.524 50 0 DHAARM C/C(=C(/NC(=O)c1ccccc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000019860377 182158621 /nfs/dbraw/zinc/15/86/21/182158621.db2.gz ILHRGNTZYDFIAE-PTNGSMBKSA-N -1 0 315.756 3.586 50 0 DHAARM Cc1ccccc1Oc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000020095179 182186002 /nfs/dbraw/zinc/18/60/02/182186002.db2.gz YLMCROZBKACOAF-UHFFFAOYSA-N -1 0 313.353 3.981 50 0 DHAARM O=C([O-])C[C@H]1CCc2c3cc(F)cc(Br)c3[nH]c21 ZINC000035259139 182766162 /nfs/dbraw/zinc/76/61/62/182766162.db2.gz UFDLKQSJWWUVOQ-ZCFIWIBFSA-N -1 0 312.138 3.574 50 0 DHAARM Cc1cc2c(c(C)c1Cl)C=C(C(=O)[O-])[C@H](C(F)(F)F)O2 ZINC000035929375 182790032 /nfs/dbraw/zinc/79/00/32/182790032.db2.gz UNEVTVWOSGJGLU-LLVKDONJSA-N -1 0 306.667 3.748 50 0 DHAARM CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCCC2 ZINC000041128010 183169890 /nfs/dbraw/zinc/16/98/90/183169890.db2.gz YDGATRMZEMWJAW-INIZCTEOSA-N -1 0 315.413 3.670 50 0 DHAARM O=c1nc(-c2ncccn2)[n-]c2cc(-c3ccccc3)sc21 ZINC000054753783 183950519 /nfs/dbraw/zinc/95/05/19/183950519.db2.gz GXAFQNBBILBGEF-UHFFFAOYSA-N -1 0 306.350 3.521 50 0 DHAARM Cc1ccccc1-c1noc(-c2c[n-]c3ccc(F)cc3c2=O)n1 ZINC000057354790 184035324 /nfs/dbraw/zinc/03/53/24/184035324.db2.gz GGNXNKRRVYEYHW-UHFFFAOYSA-N -1 0 321.311 3.693 50 0 DHAARM CC(C)OCc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013166182 257233610 /nfs/dbraw/zinc/23/36/10/257233610.db2.gz QHRJMPXDNWRURX-UHFFFAOYSA-N -1 0 313.353 3.562 50 0 DHAARM O=C([O-])c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000000464320 331462978 /nfs/dbraw/zinc/46/29/78/331462978.db2.gz NQIUCXYOCUKXRR-UHFFFAOYSA-N -1 0 300.207 3.520 50 0 DHAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000564649426 331994383 /nfs/dbraw/zinc/99/43/83/331994383.db2.gz QRGAEWUNXZTFLB-YRGRVCCFSA-N -1 0 317.385 3.547 50 0 DHAARM Cc1cc(NC(=O)c2sccc2C2CC2)ccc1C(=O)[O-] ZINC000341755640 334477094 /nfs/dbraw/zinc/47/70/94/334477094.db2.gz QHXNABOCBNNVSX-UHFFFAOYSA-N -1 0 301.367 3.884 50 0 DHAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)o1 ZINC000237978601 526362219 /nfs/dbraw/zinc/36/22/19/526362219.db2.gz VJNUFMMMDUJBML-GFCCVEGCSA-N -1 0 319.744 3.609 50 0 DHAARM O=[P@@]([O-])(O)[C@H](Nc1ccc2c(c1)CCC2)c1ccsc1 ZINC000012523581 563797685 /nfs/dbraw/zinc/79/76/85/563797685.db2.gz AGMLEJKHHSILQD-AWEZNQCLSA-N -1 0 309.327 3.525 50 0 DHAARM CC(C)(C)c1c(Br)c(C(=O)[O-])nn1-c1ccccc1 ZINC000049538582 563467138 /nfs/dbraw/zinc/46/71/38/563467138.db2.gz SFTJLOFNILMWCA-UHFFFAOYSA-N -1 0 323.190 3.631 50 0 DHAARM O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000000038137 563211439 /nfs/dbraw/zinc/21/14/39/563211439.db2.gz GFCAYKAOXCYHRX-BQYQJAHWSA-N -1 0 317.366 3.570 50 0 DHAARM O=C([O-])c1cccnc1SCC(=O)c1cc2ccccc2o1 ZINC000000146067 563223953 /nfs/dbraw/zinc/22/39/53/563223953.db2.gz QZJYZYPWLAVWGA-UHFFFAOYSA-N -1 0 313.334 3.501 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000355039 563243805 /nfs/dbraw/zinc/24/38/05/563243805.db2.gz VUAMWEZSKAOCGZ-NXEZZACHSA-N -1 0 314.168 3.599 50 0 DHAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1 ZINC000000372099 563246390 /nfs/dbraw/zinc/24/63/90/563246390.db2.gz RRSNSXSYRRRCNC-UHFFFAOYSA-N -1 0 323.348 3.926 50 0 DHAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cccc(F)c1 ZINC000000446736 563255635 /nfs/dbraw/zinc/25/56/35/563255635.db2.gz MMQVZKIQSGEHHA-SOFGYWHQSA-N -1 0 302.301 3.511 50 0 DHAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000002389121 563303676 /nfs/dbraw/zinc/30/36/76/563303676.db2.gz NCQJBPXXRXOIJD-HNNXBMFYSA-N -1 0 315.369 3.880 50 0 DHAARM CSc1ccc(-c2cc(C(=O)[O-])nn2-c2ccccc2)cc1 ZINC000002527286 563307708 /nfs/dbraw/zinc/30/77/08/563307708.db2.gz XRSTZRPINLYDRU-UHFFFAOYSA-N -1 0 310.378 3.959 50 0 DHAARM CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)[O-])c1C ZINC000002944759 563318006 /nfs/dbraw/zinc/31/80/06/563318006.db2.gz WMRNFMBTPIPBCF-UHFFFAOYSA-N -1 0 315.369 3.505 50 0 DHAARM CCCCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000003094732 563321884 /nfs/dbraw/zinc/32/18/84/563321884.db2.gz MHUFBSHKGRBQKW-HZPDHXFCSA-N -1 0 319.401 3.695 50 0 DHAARM Cc1c(Cl)cccc1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000002856935 563343527 /nfs/dbraw/zinc/34/35/27/563343527.db2.gz OLAPPHSTYCSQGJ-UHFFFAOYSA-N -1 0 318.760 3.920 50 0 DHAARM O=C([O-])Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000008024882 563344127 /nfs/dbraw/zinc/34/41/27/563344127.db2.gz MVAGZWOEZCMLDD-UHFFFAOYSA-N -1 0 302.277 3.533 50 0 DHAARM O=c1[n-]c(Nc2ccccc2)nnc1Cc1ccc(Cl)cc1 ZINC000008738567 563350008 /nfs/dbraw/zinc/35/00/08/563350008.db2.gz GCRZOSSHBULBEN-UHFFFAOYSA-N -1 0 312.760 3.565 50 0 DHAARM C[C@@H](C1CC1)N(C(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000011692355 563358953 /nfs/dbraw/zinc/35/89/53/563358953.db2.gz FCBZPGVBHFRCID-ZDUSSCGKSA-N -1 0 309.365 3.830 50 0 DHAARM O=C([O-])c1cc(-c2cccnc2)nc2onc(-c3ccccc3)c21 ZINC000012396317 563368545 /nfs/dbraw/zinc/36/85/45/563368545.db2.gz CLUSOXSMRGKUGZ-UHFFFAOYSA-N -1 0 317.304 3.650 50 0 DHAARM Cc1cc(C)c(C(=O)CSc2ncccc2C(=O)[O-])c(C)c1 ZINC000012445034 563370126 /nfs/dbraw/zinc/37/01/26/563370126.db2.gz SCLREWYMUSJDKP-UHFFFAOYSA-N -1 0 315.394 3.680 50 0 DHAARM O=C([O-])[C@@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1 ZINC000013466630 563382001 /nfs/dbraw/zinc/38/20/01/563382001.db2.gz LBIBFRGXMQNACO-KRWDZBQOSA-N -1 0 323.392 3.762 50 0 DHAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000013947662 563393425 /nfs/dbraw/zinc/39/34/25/563393425.db2.gz PUHZSBBOTOJRLF-ZDUSSCGKSA-N -1 0 304.415 3.704 50 0 DHAARM O=C(Cc1csc(-c2ccccc2)n1)[N-]OCc1ccccc1 ZINC000014168867 563397154 /nfs/dbraw/zinc/39/71/54/563397154.db2.gz JOOGHTGZKUCAKM-UHFFFAOYSA-N -1 0 324.405 3.601 50 0 DHAARM Cc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1cccc2ccccc21 ZINC000018207355 563415778 /nfs/dbraw/zinc/41/57/78/563415778.db2.gz DJUAWFSSMNJPQO-UHFFFAOYSA-N -1 0 315.376 3.640 50 0 DHAARM Cc1cccc(-c2nccc(Oc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000032918475 563444448 /nfs/dbraw/zinc/44/44/48/563444448.db2.gz NJYUWBRENJJZJB-UHFFFAOYSA-N -1 0 306.321 3.943 50 0 DHAARM O=C([O-])C[C@H](c1ccccc1)c1cccc(Br)c1O ZINC000023550116 563450367 /nfs/dbraw/zinc/45/03/67/563450367.db2.gz QOOGKPUYRCEKRD-GFCCVEGCSA-N -1 0 321.170 3.761 50 0 DHAARM CCCc1ccc(-c2csc(NC(=O)CCC(=O)[O-])n2)cc1 ZINC000000028438 563495881 /nfs/dbraw/zinc/49/58/81/563495881.db2.gz WNKXVXLSQUSZIC-UHFFFAOYSA-N -1 0 318.398 3.566 50 0 DHAARM CCOc1ccc(-c2ccnc(C[C@@H](C)CC)n2)cc1C(=O)[O-] ZINC000077506127 563511901 /nfs/dbraw/zinc/51/19/01/563511901.db2.gz KTGNGWPVWYIKBR-LBPRGKRZSA-N -1 0 314.385 3.829 50 0 DHAARM CCc1nc(=NCc2cccc(-c3csc(C)n3)c2)s[n-]1 ZINC000585139187 563518597 /nfs/dbraw/zinc/51/85/97/563518597.db2.gz NDUPAYIFCZDXJF-UHFFFAOYSA-N -1 0 316.455 3.566 50 0 DHAARM CC1(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)CC1 ZINC000095361661 563529444 /nfs/dbraw/zinc/52/94/44/563529444.db2.gz JXYLGWHYNGJEMM-MRXNPFEDSA-N -1 0 315.413 3.671 50 0 DHAARM Cc1[n-]n2c(nc(-c3ccc(F)cc3)cc2=O)c1-c1ccccc1 ZINC000100129933 563564810 /nfs/dbraw/zinc/56/48/10/563564810.db2.gz VHZJOLZGSQPBPA-UHFFFAOYSA-N -1 0 319.339 3.804 50 0 DHAARM O=C([O-])C[C@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000000117210 563571034 /nfs/dbraw/zinc/57/10/34/563571034.db2.gz UUIRWZNSLSACOU-AWEZNQCLSA-N -1 0 309.793 3.552 50 0 DHAARM O=C([O-])c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000000127403 563572179 /nfs/dbraw/zinc/57/21/79/563572179.db2.gz CEGPQGLPBJRLGZ-UHFFFAOYSA-N -1 0 319.357 3.717 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000233241 563579580 /nfs/dbraw/zinc/57/95/80/563579580.db2.gz RPUFBGAIJXSOAN-UWVGGRQHSA-N -1 0 316.184 3.823 50 0 DHAARM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000262697631 563601808 /nfs/dbraw/zinc/60/18/08/563601808.db2.gz GVURHEDINJPXHA-KKUMJFAQSA-N -1 0 319.401 3.614 50 0 DHAARM CCc1cccc2c3ccc(NC(=O)CCC(=O)[O-])cc3[nH]c21 ZINC000011947433 563603039 /nfs/dbraw/zinc/60/30/39/563603039.db2.gz LNPDMYITMJUMIK-UHFFFAOYSA-N -1 0 310.353 3.687 50 0 DHAARM COc1cc(CNc2ccc(C(=O)[O-])cc2)cc(Cl)c1OC ZINC000000360209 563629857 /nfs/dbraw/zinc/62/98/57/563629857.db2.gz PXSXVTLMLPRDDM-UHFFFAOYSA-N -1 0 321.760 3.668 50 0 DHAARM O=C(Nc1nc2ccccc2s1)c1ccc([O-])c(Cl)c1 ZINC000012926206 563654574 /nfs/dbraw/zinc/65/45/74/563654574.db2.gz HDADAIFLUNVKSG-UHFFFAOYSA-N -1 0 304.758 3.908 50 0 DHAARM CC(C)[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000013468974 563659900 /nfs/dbraw/zinc/65/99/00/563659900.db2.gz MEBBEGRYJNQLGN-MRXNPFEDSA-N -1 0 321.392 3.674 50 0 DHAARM Cc1cc2n(n1)[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(C)cc1-2 ZINC000000817733 563720252 /nfs/dbraw/zinc/72/02/52/563720252.db2.gz XJBOKBKHRBFSSY-GOSISDBHSA-N -1 0 319.364 3.838 50 0 DHAARM CCCOc1ccc([C@@H](Nc2ccccc2)[P@@](=O)([O-])O)cc1 ZINC000012523574 563797781 /nfs/dbraw/zinc/79/77/81/563797781.db2.gz ODSARMBXMVWRDB-INIZCTEOSA-N -1 0 321.313 3.764 50 0 DHAARM Cc1ccc([C@H](Nc2cccc(C)c2)[P@@](=O)([O-])O)c(C)c1 ZINC000012536577 563799256 /nfs/dbraw/zinc/79/92/56/563799256.db2.gz RZLAEUBAISLIGZ-MRXNPFEDSA-N -1 0 305.314 3.900 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C)c1O ZINC000084920231 563831269 /nfs/dbraw/zinc/83/12/69/563831269.db2.gz QNXGTOGGBLVCCE-UHFFFAOYSA-N -1 0 317.366 3.556 50 0 DHAARM CCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 ZINC000007381974 563905824 /nfs/dbraw/zinc/90/58/24/563905824.db2.gz YSHWVYSMKLCUHM-UHFFFAOYSA-N -1 0 307.390 3.887 50 0 DHAARM O=C([O-])c1cccc(Nc2nccc(Nc3ccccc3)n2)c1 ZINC000170621806 563908581 /nfs/dbraw/zinc/90/85/81/563908581.db2.gz YGVOGHOCIWZPFG-UHFFFAOYSA-N -1 0 306.325 3.662 50 0 DHAARM O=C([O-])c1c(-c2sccc2Br)noc1C1CC1 ZINC000675058012 563910195 /nfs/dbraw/zinc/91/01/95/563910195.db2.gz UXHGASYXQWWGHL-UHFFFAOYSA-N -1 0 314.160 3.741 50 0 DHAARM COc1cc2[n-]c(=S)n(C3CCCC3)c(=O)c2cc1OC ZINC000239403224 563916538 /nfs/dbraw/zinc/91/65/38/563916538.db2.gz RQJDPYBWKCWQQD-UHFFFAOYSA-N -1 0 306.387 3.604 50 0 DHAARM C[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)[O-])C1 ZINC000000099024 563926570 /nfs/dbraw/zinc/92/65/70/563926570.db2.gz DKJPTVSWOHYFRL-JTQLQIEISA-N -1 0 315.394 3.823 50 0 DHAARM CCCCc1ccc(NC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cc1 ZINC000002428699 563928399 /nfs/dbraw/zinc/92/83/99/563928399.db2.gz UGTCQNZJDLMHSO-DOMZBBRYSA-N -1 0 306.406 3.650 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)c2ccccc12 ZINC000012291119 563928562 /nfs/dbraw/zinc/92/85/62/563928562.db2.gz NFFNQFRALJLMQC-UHFFFAOYSA-N -1 0 313.378 3.655 50 0 DHAARM CCSC[C@H](C)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000078966795 563930105 /nfs/dbraw/zinc/93/01/05/563930105.db2.gz MIFHBGRAKQYNAP-VIFPVBQESA-N -1 0 310.444 3.704 50 0 DHAARM Cc1oc2cc([O-])cc(O)c2c(=O)c1-c1ccc(Cl)cc1 ZINC000094993451 563930957 /nfs/dbraw/zinc/93/09/57/563930957.db2.gz VFAGQYKCERFUEW-UHFFFAOYSA-N -1 0 302.713 3.833 50 0 DHAARM CCC(CC)C(=O)N1CCC(c2n[nH]c(=S)n2C(C)C)CC1 ZINC000068435664 563951166 /nfs/dbraw/zinc/95/11/66/563951166.db2.gz LNMRGJJJBHZLOH-UHFFFAOYSA-N -1 0 324.494 3.664 50 0 DHAARM O=C([O-])Cc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000009008355 563951876 /nfs/dbraw/zinc/95/18/76/563951876.db2.gz SHDUUQWYFNJIAG-UHFFFAOYSA-N -1 0 313.740 3.888 50 0 in-vitro DHAARM CCc1ccc2nc([N-]c3ncc(C(C)=O)c(C)n3)nc(C)c2c1 ZINC000009089780 563952332 /nfs/dbraw/zinc/95/23/32/563952332.db2.gz DDCFLVDGBLZPSP-UHFFFAOYSA-N -1 0 321.384 3.545 50 0 DHAARM Cc1ccc(-c2cc(C(=O)[O-])n(Cc3ccc(F)cc3)n2)cc1 ZINC000044672154 568412994 /nfs/dbraw/zinc/41/29/94/568412994.db2.gz AAFKKYHKNBIYIS-UHFFFAOYSA-N -1 0 310.328 3.744 50 0 DHAARM O=C([O-])c1ccccc1SCc1cn2cc(Cl)ccc2n1 ZINC000169300445 1032432713 /nfs/dbraw/zinc/43/27/13/1032432713.db2.gz KGZATWFAYVPOSI-UHFFFAOYSA-N -1 0 318.785 3.978 50 0 DHAARM Cc1csc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1Cl ZINC000235956335 1020745100 /nfs/dbraw/zinc/74/51/00/1020745100.db2.gz XXIGUIAUHDNFCD-JTQLQIEISA-N -1 0 315.822 3.569 50 0 DHAARM C[C@](CC(=O)[O-])(NC(=O)OCc1ccccc1)C1CCCCC1 ZINC000686791274 1028887302 /nfs/dbraw/zinc/88/73/02/1028887302.db2.gz XNCFZOXCSKLQKZ-GOSISDBHSA-N -1 0 319.401 3.727 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000398702 1037848602 /nfs/dbraw/zinc/84/86/02/1037848602.db2.gz YRHPZOHJQBKKAC-ZJUUUORDSA-N -1 0 314.168 3.599 50 0 DHAARM O=C([O-])c1cccc(Nc2ccnc(Nc3cccc(F)c3)n2)c1 ZINC000096693902 185385576 /nfs/dbraw/zinc/38/55/76/185385576.db2.gz JMVYSPRBUDZNFO-UHFFFAOYSA-N -1 0 324.315 3.801 50 0 DHAARM O=C([O-])c1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1 ZINC000096765590 185386557 /nfs/dbraw/zinc/38/65/57/185386557.db2.gz AXVMJJKUPVFLIU-GHXNOFRVSA-N -1 0 314.337 3.896 50 0 DHAARM Cc1cc(C)cc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)c1 ZINC000072161757 191061841 /nfs/dbraw/zinc/06/18/41/191061841.db2.gz RKBCBNKRKYKIAH-HNNXBMFYSA-N -1 0 323.392 3.631 50 0 DHAARM CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000003864008 181050742 /nfs/dbraw/zinc/05/07/42/181050742.db2.gz SPYDOORUFNRYMZ-UHFFFAOYSA-N -1 0 319.744 3.689 50 0 DHAARM CC1(C)C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2Cc2ccccc21 ZINC000003881800 181052374 /nfs/dbraw/zinc/05/23/74/181052374.db2.gz IWHFLGWVCGKJJO-MRXNPFEDSA-N -1 0 321.376 3.763 50 0 biogenic DHAARM CCCCCCC1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC000003895908 181053702 /nfs/dbraw/zinc/05/37/02/181053702.db2.gz CWHOYXWRJCYYAT-GPANFISMSA-N -1 0 311.466 3.989 50 0 DHAARM CC(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000003897344 181054140 /nfs/dbraw/zinc/05/41/40/181054140.db2.gz PUYBEUDIKYCSAG-UHFFFAOYSA-N -1 0 314.381 3.778 50 0 DHAARM Cc1c(C)c2ccc(O[C@H](C(=O)[O-])c3ccccc3)cc2oc1=O ZINC000004040152 181065717 /nfs/dbraw/zinc/06/57/17/181065717.db2.gz OKVOMJFQVVOHNW-KRWDZBQOSA-N -1 0 324.332 3.615 50 0 biogenic DHAARM O=C([O-])c1ccccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004013277 181062025 /nfs/dbraw/zinc/06/20/25/181062025.db2.gz UHAHLQTZODWDBL-UHFFFAOYSA-N -1 0 300.354 3.507 50 0 DHAARM Cc1cc2oc(Br)c(CC(=O)[O-])c2cc1Cl ZINC000004137163 181077949 /nfs/dbraw/zinc/07/79/49/181077949.db2.gz QNKQAWMXJIVRNN-UHFFFAOYSA-N -1 0 303.539 3.784 50 0 DHAARM Cc1nc(SCc2cccc(C(=O)[O-])c2)nc2c1CCCC2 ZINC000004498465 181115892 /nfs/dbraw/zinc/11/58/92/181115892.db2.gz HORIHSOVHACGHN-UHFFFAOYSA-N -1 0 314.410 3.654 50 0 DHAARM Cc1cccc(-c2nc3ccc(NC(=O)CCC(=O)[O-])cc3o2)c1 ZINC000004520029 181118822 /nfs/dbraw/zinc/11/88/22/181118822.db2.gz FNMOQHGBNSLUMP-UHFFFAOYSA-N -1 0 324.336 3.607 50 0 DHAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004603387 181129124 /nfs/dbraw/zinc/12/91/24/181129124.db2.gz WSAZUSZQDDRFPN-ZDUSSCGKSA-N -1 0 313.353 3.918 50 0 DHAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000004803916 181153612 /nfs/dbraw/zinc/15/36/12/181153612.db2.gz RWXGSIZUGMFQJI-ZIAGYGMSSA-N -1 0 307.777 3.726 50 0 DHAARM COc1ccc([C@H](C)c2cccc(OC)c2C(=O)[O-])cc1OC ZINC000004831091 181158816 /nfs/dbraw/zinc/15/88/16/181158816.db2.gz VQDJJFZSLYXAAD-NSHDSACASA-N -1 0 316.353 3.562 50 0 DHAARM CCc1oc2cc([O-])ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000005686719 181271860 /nfs/dbraw/zinc/27/18/60/181271860.db2.gz WXFJEKILYHGBGX-UHFFFAOYSA-N -1 0 300.285 3.992 50 0 DHAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000005730184 181278008 /nfs/dbraw/zinc/27/80/08/181278008.db2.gz JYEKLZXGJABOPI-UHFFFAOYSA-N -1 0 324.332 3.635 50 0 biogenic DHAARM Cc1ccccc1[C@@H]1CCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000237628755 202310440 /nfs/dbraw/zinc/31/04/40/202310440.db2.gz ZKCAXQQVWPJSNS-HNNXBMFYSA-N -1 0 303.402 3.550 50 0 DHAARM Cc1ccc(Cl)cc1N[C@@H](CC(=O)c1ccccc1)C(=O)[O-] ZINC000006278573 181325812 /nfs/dbraw/zinc/32/58/12/181325812.db2.gz IIJIENAIMABCRW-HNNXBMFYSA-N -1 0 317.772 3.787 50 0 DHAARM CC(=O)n1cc(-c2c([O-])c3ccccc3oc2=O)c2ccccc21 ZINC000006493023 181345603 /nfs/dbraw/zinc/34/56/03/181345603.db2.gz UPXQMMGMYZLGGL-UHFFFAOYSA-N -1 0 319.316 3.780 50 0 biogenic DHAARM CSc1ccccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000006740960 181380777 /nfs/dbraw/zinc/38/07/77/181380777.db2.gz OCBCKOSBGMUYDI-CHWSQXEVSA-N -1 0 319.426 3.794 50 0 DHAARM O=C([O-])c1ccc(Cl)cc1NC(=O)Cc1ccccc1Cl ZINC000013186196 181837094 /nfs/dbraw/zinc/83/70/94/181837094.db2.gz YCCUUNMZYIOOJM-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000016649938 182056023 /nfs/dbraw/zinc/05/60/23/182056023.db2.gz YDXXSZYRMKTPCP-QGTPRVQTSA-N -1 0 309.365 3.938 50 0 DHAARM Cc1nc(Nc2cccc(Br)c2)sc1C(=O)[O-] ZINC000020156536 182192942 /nfs/dbraw/zinc/19/29/42/182192942.db2.gz LRAHXFBQJGFQBE-UHFFFAOYSA-N -1 0 313.176 3.656 50 0 DHAARM O=c1c(-c2nc(-c3cccc(Cl)c3)no2)c[n-]c2ccccc21 ZINC000020731394 182244117 /nfs/dbraw/zinc/24/41/17/182244117.db2.gz JUSZMCZVAHMCHE-UHFFFAOYSA-N -1 0 323.739 3.899 50 0 DHAARM CCc1ccc(Nc2cc(C(=O)[O-])nc3ccc(C)cc32)cc1 ZINC000021657773 182282607 /nfs/dbraw/zinc/28/26/07/182282607.db2.gz YOHVSFLXFTYZEL-UHFFFAOYSA-N -1 0 306.365 3.969 50 0 DHAARM COc1ccc(Nc2cc(C(=O)[O-])nc3ccc(C)cc32)cc1 ZINC000021657764 182282961 /nfs/dbraw/zinc/28/29/61/182282961.db2.gz DRVNKTWGKKXYHR-UHFFFAOYSA-N -1 0 308.337 3.994 50 0 DHAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3ccc(C)cc3)c12 ZINC000021715882 182284655 /nfs/dbraw/zinc/28/46/55/182284655.db2.gz FDCQLSAPCXTCOM-UHFFFAOYSA-N -1 0 313.382 3.618 50 0 DHAARM C[C@@H](c1cccs1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000036378407 182820711 /nfs/dbraw/zinc/82/07/11/182820711.db2.gz FRRHVUCHVYJVNQ-VIFPVBQESA-N -1 0 305.428 3.651 50 0 DHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)c1 ZINC000065031188 184309051 /nfs/dbraw/zinc/30/90/51/184309051.db2.gz IQSAFVNSSGLKBP-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM O=C([O-])c1nc(-c2ccc(Cl)cc2)sc1Br ZINC000065337373 184325153 /nfs/dbraw/zinc/32/51/53/184325153.db2.gz RNCWNWFLLSSJKD-UHFFFAOYSA-N -1 0 318.579 3.924 50 0 DHAARM O=C([O-])[C@@H]1CCCN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000262650781 257257161 /nfs/dbraw/zinc/25/71/61/257257161.db2.gz LFIJCWKZMVRRGI-ZDUSSCGKSA-N -1 0 322.817 3.513 50 0 DHAARM O=C([O-])CCc1ccc(OCc2coc(-c3ccccc3)n2)cc1 ZINC000097166009 332193666 /nfs/dbraw/zinc/19/36/66/332193666.db2.gz JXVRHKOSQABMFG-UHFFFAOYSA-N -1 0 323.348 3.938 50 0 DHAARM Cc1cc(C)cc(C[C@@H](CC(=O)Nc2ccccc2)C(=O)[O-])c1 ZINC000071405942 334876108 /nfs/dbraw/zinc/87/61/08/334876108.db2.gz NWCKMFLTGGLMFN-INIZCTEOSA-N -1 0 311.381 3.576 50 0 DHAARM Cc1cc(C)cc(C[C@H](CC(=O)Nc2ccccc2)C(=O)[O-])c1 ZINC000071405943 334876109 /nfs/dbraw/zinc/87/61/09/334876109.db2.gz NWCKMFLTGGLMFN-MRXNPFEDSA-N -1 0 311.381 3.576 50 0 DHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000262282367 341518000 /nfs/dbraw/zinc/51/80/00/341518000.db2.gz YULQIVACAYJWTF-GFCCVEGCSA-N -1 0 317.410 3.618 50 0 DHAARM O=c1cc(-c2ccccc2)[n-]n1-c1cccc(Br)c1 ZINC000000463746 563617870 /nfs/dbraw/zinc/61/78/70/563617870.db2.gz FOERULZYSZMZKY-UHFFFAOYSA-N -1 0 315.170 3.595 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000101009 563216818 /nfs/dbraw/zinc/21/68/18/563216818.db2.gz RHQOVBPVXKPJBH-UHFFFAOYSA-N -1 0 304.173 3.823 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1Cl ZINC000000101365 563217018 /nfs/dbraw/zinc/21/70/18/563217018.db2.gz CFAYCBNPXUTFBX-UHFFFAOYSA-N -1 0 304.173 3.823 50 0 DHAARM O=C([O-])CCCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000000237506 563232306 /nfs/dbraw/zinc/23/23/06/563232306.db2.gz VKIFEHDHQIOGCZ-UHFFFAOYSA-N -1 0 324.336 3.688 50 0 DHAARM Cc1ccccc1C(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC000000465994 563259727 /nfs/dbraw/zinc/25/97/27/563259727.db2.gz OIYIAFHIIUDIFN-XNTDXEJSSA-N -1 0 315.756 3.504 50 0 DHAARM O=C([O-])c1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)C2 ZINC000001304677 563280768 /nfs/dbraw/zinc/28/07/68/563280768.db2.gz UXSWDXQOTCKQJK-UHFFFAOYSA-N -1 0 321.254 3.564 50 0 in-vitro DHAARM O=C([O-])c1ccc(OCCCCCCO[C@@H]2CCCCO2)cc1 ZINC000002576484 563309707 /nfs/dbraw/zinc/30/97/07/563309707.db2.gz BNTAHXSRBNHLSL-KRWDZBQOSA-N -1 0 322.401 3.867 50 0 DHAARM O=C([O-])c1ccccc1OCc1ccccc1Br ZINC000002725739 563311552 /nfs/dbraw/zinc/31/15/52/563311552.db2.gz IYPKPTAZUPMKGH-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 in-vitro DHAARM CCCCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000002999970 563320641 /nfs/dbraw/zinc/32/06/41/563320641.db2.gz YGDFOEDIFRTGLC-UHFFFAOYSA-N -1 0 319.426 3.975 50 0 DHAARM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003073518 563321365 /nfs/dbraw/zinc/32/13/65/563321365.db2.gz VJITYVRAXLZJNG-UHFFFAOYSA-N -1 0 323.389 3.805 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000298317 563336517 /nfs/dbraw/zinc/33/65/17/563336517.db2.gz GBALWYGHLDPXRV-ZJUUUORDSA-N -1 0 314.168 3.599 50 0 DHAARM CCCCCCc1c(C)nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c1=O ZINC000008020285 563344059 /nfs/dbraw/zinc/34/40/59/563344059.db2.gz UOFFHNRHOYVQKV-KBPBESRZSA-N -1 0 305.466 3.683 50 0 DHAARM CCCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c1=O ZINC000009088399 563352058 /nfs/dbraw/zinc/35/20/58/563352058.db2.gz RLYVEWHBMGMPKS-UHFFFAOYSA-N -1 0 315.804 3.912 50 0 DHAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1C ZINC000009191586 563352424 /nfs/dbraw/zinc/35/24/24/563352424.db2.gz HQPAOBCVQDSJFR-UHFFFAOYSA-N -1 0 318.380 3.662 50 0 DHAARM Cc1ccc(-c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)s1 ZINC000009256665 563352929 /nfs/dbraw/zinc/35/29/29/563352929.db2.gz JZBKIDOGVSZETR-UHFFFAOYSA-N -1 0 301.371 3.747 50 0 DHAARM COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1F ZINC000012382907 563367516 /nfs/dbraw/zinc/36/75/16/563367516.db2.gz ZJSOVOMINVFBMN-UHFFFAOYSA-N -1 0 323.389 3.759 50 0 DHAARM CCC(CC)(CC(=O)N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000010820159 563418539 /nfs/dbraw/zinc/41/85/39/563418539.db2.gz MDMGMVPNLJJFFT-GFCCVEGCSA-N -1 0 317.385 3.891 50 0 DHAARM O=C([O-])c1ccc(-c2ccc(Oc3ccc(F)cc3)nn2)cc1 ZINC000032918463 563443540 /nfs/dbraw/zinc/44/35/40/563443540.db2.gz VSNXRKXARRVLGL-UHFFFAOYSA-N -1 0 310.284 3.773 50 0 DHAARM COCOc1cccc([C@@H](CC(=O)[O-])c2ccccc2Cl)c1 ZINC000034928883 563451813 /nfs/dbraw/zinc/45/18/13/563451813.db2.gz MAJRHDUTXUVEOK-OAHLLOKOSA-N -1 0 320.772 3.929 50 0 DHAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000070442362 563457045 /nfs/dbraw/zinc/45/70/45/563457045.db2.gz WAIKOFPGOOKHPG-MRVPVSSYSA-N -1 0 319.411 3.933 50 0 DHAARM O=C([O-])c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000037450768 563458240 /nfs/dbraw/zinc/45/82/40/563458240.db2.gz UWVSFBFXEQPMQG-UHFFFAOYSA-N -1 0 301.367 3.577 50 0 DHAARM Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000097045095 563504519 /nfs/dbraw/zinc/50/45/19/563504519.db2.gz BITDMACSFFRSLV-JKSUJKDBSA-N -1 0 317.429 3.592 50 0 DHAARM O=C(Nc1cncc2ccccc21)c1cc(F)c(F)c([O-])c1F ZINC000097112969 563505979 /nfs/dbraw/zinc/50/59/79/563505979.db2.gz VIROQYPMMQNIQG-UHFFFAOYSA-N -1 0 318.254 3.610 50 0 DHAARM Cc1cccc(-c2nc3c(c(SCC(=O)[O-])n2)CCCC3)c1 ZINC000000076337 563523341 /nfs/dbraw/zinc/52/33/41/563523341.db2.gz WKLZCMXEOZOHIA-UHFFFAOYSA-N -1 0 314.410 3.508 50 0 DHAARM COc1cccc(-c2csc3c2[n-]c(SC)nc3=O)c1 ZINC000096511595 563537328 /nfs/dbraw/zinc/53/73/28/563537328.db2.gz OABPRTSGBPTJJH-UHFFFAOYSA-N -1 0 304.396 3.794 50 0 DHAARM [O-]c1ccc(Cl)c(CN2CCCC[C@@H]2CCCO)c1Cl ZINC000097137653 563537882 /nfs/dbraw/zinc/53/78/82/563537882.db2.gz OFNDRCUIRZISRK-LLVKDONJSA-N -1 0 318.244 3.826 50 0 DHAARM COc1cccc(-c2cc(=O)n(-c3nc4ccccc4s3)[n-]2)c1 ZINC000100134584 563546476 /nfs/dbraw/zinc/54/64/76/563546476.db2.gz VNXWRASXQFWOEU-UHFFFAOYSA-N -1 0 323.377 3.863 50 0 DHAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000263619848 563567615 /nfs/dbraw/zinc/56/76/15/563567615.db2.gz FYMDQMINCBZAPK-UHFFFAOYSA-N -1 0 305.252 3.751 50 0 DHAARM CC(C)(C)c1oc2cc(Br)c(O)cc2c1C(=O)[O-] ZINC000000307913 563587443 /nfs/dbraw/zinc/58/74/43/563587443.db2.gz LXKISVZLLQENGS-UHFFFAOYSA-N -1 0 313.147 3.897 50 0 DHAARM Cc1c2ccccc2oc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013224615 563613771 /nfs/dbraw/zinc/61/37/71/563613771.db2.gz YPFHRFVADHJMIV-HNNXBMFYSA-N -1 0 323.348 3.687 50 0 DHAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1cscn1 ZINC000000178199 563620975 /nfs/dbraw/zinc/62/09/75/563620975.db2.gz KLIDJCBNMODNGW-UHFFFAOYSA-N -1 0 313.256 3.641 50 0 DHAARM CC(C)c1nc(Cc2noc(-c3ccc(F)cc3[O-])n2)cs1 ZINC000273862432 563626339 /nfs/dbraw/zinc/62/63/39/563626339.db2.gz MWJIJMICAGLQGN-UHFFFAOYSA-N -1 0 319.361 3.752 50 0 DHAARM Cc1ccc(F)cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000013252651 563657847 /nfs/dbraw/zinc/65/78/47/563657847.db2.gz APYDXHAQAAPCRM-SFHVURJKSA-N -1 0 315.344 3.505 50 0 DHAARM O=c1c2cc(F)ccc2[n-]c(=S)n1Cc1ccccc1Cl ZINC000103964092 563671393 /nfs/dbraw/zinc/67/13/93/563671393.db2.gz IJMSGFMGVOQJTA-UHFFFAOYSA-N -1 0 320.776 3.526 50 0 DHAARM O=C([O-])c1nccc2[nH]c(-c3c(Cl)cccc3Cl)nc21 ZINC000095726821 563673665 /nfs/dbraw/zinc/67/36/65/563673665.db2.gz UIDHXSRURNPFLM-UHFFFAOYSA-N -1 0 308.124 3.630 50 0 DHAARM O=C([O-])[C@H]1CC[C@H](C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000242400271 563778409 /nfs/dbraw/zinc/77/84/09/563778409.db2.gz ASWJFVBNTORNNT-MGCOHNPYSA-N -1 0 300.276 3.779 50 0 DHAARM O=[P@@]([O-])(O)[C@@H](Nc1ccc2c(c1)CCC2)c1ccsc1 ZINC000012523580 563797595 /nfs/dbraw/zinc/79/75/95/563797595.db2.gz AGMLEJKHHSILQD-CQSZACIVSA-N -1 0 309.327 3.525 50 0 DHAARM Cc1cccc(CSCc2nc(=O)c3sccc3[n-]2)c1 ZINC000012576837 563802274 /nfs/dbraw/zinc/80/22/74/563802274.db2.gz DBNRQOIBBIPXFI-UHFFFAOYSA-N -1 0 302.424 3.726 50 0 DHAARM C[C@H](Sc1ccccc1C(=O)[O-])C(=O)Nc1cccc(F)c1 ZINC000012812165 563835974 /nfs/dbraw/zinc/83/59/74/563835974.db2.gz NLKARPYZNPBNSC-JTQLQIEISA-N -1 0 319.357 3.643 50 0 DHAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000100006264 563890604 /nfs/dbraw/zinc/89/06/04/563890604.db2.gz PJVWKTKQMONHTI-HNNXBMFYSA-N -1 0 308.333 3.610 50 0 biogenic,fda DHAARM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H]1c1ccncc1 ZINC000089884931 563912021 /nfs/dbraw/zinc/91/20/21/563912021.db2.gz SXWGKMBRYWJTFZ-AWEZNQCLSA-N -1 0 320.751 3.557 50 0 DHAARM CC(C)C[C@H](NC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)[O-] ZINC000139391032 563924295 /nfs/dbraw/zinc/92/42/95/563924295.db2.gz JDNKQMWGCKCHBF-XGUBFFRZSA-N -1 0 313.438 3.673 50 0 DHAARM Cc1occc1CN(C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000055053574 563926292 /nfs/dbraw/zinc/92/62/92/563926292.db2.gz PRZKWDGDYHYUAS-UHFFFAOYSA-N -1 0 323.352 3.615 50 0 DHAARM O=[P@@]([O-])(O)[C@H](Nc1ccc(Cl)cc1)c1ccsc1 ZINC000012997413 563929145 /nfs/dbraw/zinc/92/91/45/563929145.db2.gz UQWKCPKEGGSZTG-NSHDSACASA-N -1 0 303.707 3.690 50 0 DHAARM COc1cc(-c2n[n-]c(=S)n2-c2ccc(C)cc2)ccc1O ZINC000095929450 563931928 /nfs/dbraw/zinc/93/19/28/563931928.db2.gz SSADWHDYVOIWLE-UHFFFAOYSA-N -1 0 313.382 3.620 50 0 DHAARM O=C([O-])[C@@H]1CCCCN1Cc1ccc(F)c(Cl)c1Cl ZINC000263402943 563945801 /nfs/dbraw/zinc/94/58/01/563945801.db2.gz IRYKCLLKUDDPEP-JTQLQIEISA-N -1 0 306.164 3.572 50 0 DHAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2onc(-c3ccco3)c21 ZINC000008342588 563948012 /nfs/dbraw/zinc/94/80/12/563948012.db2.gz YAAMPQFLVMWZNV-UHFFFAOYSA-N -1 0 324.267 3.987 50 0 DHAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n2)onc3C(C)C)cc1 ZINC000008429010 563948692 /nfs/dbraw/zinc/94/86/92/563948692.db2.gz BCHTYAXQWBDESH-UHFFFAOYSA-N -1 0 312.325 3.720 50 0 DHAARM CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)[O-])cc21 ZINC000068755230 563951229 /nfs/dbraw/zinc/95/12/29/563951229.db2.gz XXMRYPVAUSHSLR-UHFFFAOYSA-N -1 0 323.348 3.605 50 0 DHAARM O=C([O-])c1ccc2[nH]c(-c3ccc([C@@H]4CCCO4)s3)nc2c1 ZINC000067433374 568413460 /nfs/dbraw/zinc/41/34/60/568413460.db2.gz KXELXYVWYWMEPL-LBPRGKRZSA-N -1 0 314.366 3.841 50 0 DHAARM O=C([O-])c1ccc(NC(=O)OCc2ccccc2)cc1Cl ZINC000048806977 568414019 /nfs/dbraw/zinc/41/40/19/568414019.db2.gz XIKMRTIAGOEYJH-UHFFFAOYSA-N -1 0 305.717 3.787 50 0 DHAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000322718044 951034879 /nfs/dbraw/zinc/03/48/79/951034879.db2.gz QCUQGKCOWZUEEI-INIZCTEOSA-N -1 0 309.365 3.522 50 0 DHAARM Cc1cccc(-c2cccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c2)c1 ZINC001506402636 958203121 /nfs/dbraw/zinc/20/31/21/958203121.db2.gz IXLMBTNWTHPHQC-SFHVURJKSA-N -1 0 323.392 3.599 50 0 DHAARM Cc1cccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000254508347 1023981822 /nfs/dbraw/zinc/98/18/22/1023981822.db2.gz KQJJNKWVVOUJKY-UHFFFAOYSA-N -1 0 305.721 3.708 50 0 DHAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000095530854 185378784 /nfs/dbraw/zinc/37/87/84/185378784.db2.gz CRRGAORGLHLOSE-LJQANCHMSA-N -1 0 310.397 3.646 50 0 DHAARM Cc1oc(-c2ccccc2)nc1COc1ccc(CC(=O)[O-])cc1 ZINC000096997610 185395702 /nfs/dbraw/zinc/39/57/02/185395702.db2.gz SLKJBXYDOUKCBF-UHFFFAOYSA-N -1 0 323.348 3.856 50 0 DHAARM CCC[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000080343788 192150158 /nfs/dbraw/zinc/15/01/58/192150158.db2.gz YMVGSAHCPGFRPV-ZACQAIPSSA-N -1 0 317.429 3.578 50 0 DHAARM Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)c1 ZINC000000277199 180745820 /nfs/dbraw/zinc/74/58/20/180745820.db2.gz YUEYLEHINLFIMW-UHFFFAOYSA-N -1 0 313.353 3.981 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1Cl ZINC000000373232 180769793 /nfs/dbraw/zinc/76/97/93/180769793.db2.gz FKFPKQTWJFTWBS-UHFFFAOYSA-N -1 0 304.173 3.823 50 0 DHAARM Cc1ccc(C(=O)C[C@H](C(=O)[O-])c2cn(C)c3ccccc23)cc1 ZINC000000384264 180772793 /nfs/dbraw/zinc/77/27/93/180772793.db2.gz OBLFEDIZUACLAQ-INIZCTEOSA-N -1 0 321.376 3.928 50 0 DHAARM CC(C)Cc1nc2ccccc2n1C(=O)c1ccccc1C(=O)[O-] ZINC000000572590 180824316 /nfs/dbraw/zinc/82/43/16/180824316.db2.gz VKMOVGVHFLBKQS-UHFFFAOYSA-N -1 0 322.364 3.622 50 0 DHAARM CCOc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000000610588 180827851 /nfs/dbraw/zinc/82/78/51/180827851.db2.gz VRKKHDDUVFCMCT-UHFFFAOYSA-N -1 0 314.341 3.736 50 0 DHAARM CCn1c(=O)c2c(-c3ccc(F)cc3)csc2[n-]c1=S ZINC000003319092 181004909 /nfs/dbraw/zinc/00/49/09/181004909.db2.gz WUMCLARBBAVJIZ-UHFFFAOYSA-N -1 0 306.387 3.947 50 0 DHAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3cccc(C)c3n2)c1 ZINC000003757823 181045213 /nfs/dbraw/zinc/04/52/13/181045213.db2.gz XCCHRNWMXOSELC-UHFFFAOYSA-N -1 0 323.348 3.926 50 0 DHAARM Cc1c(C)c2ccc(O[C@@H](C(=O)[O-])c3ccccc3)cc2oc1=O ZINC000004040155 181065994 /nfs/dbraw/zinc/06/59/94/181065994.db2.gz OKVOMJFQVVOHNW-QGZVFWFLSA-N -1 0 324.332 3.615 50 0 biogenic DHAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2)c2c1CC(C)(C)O2 ZINC000003997669 181060274 /nfs/dbraw/zinc/06/02/74/181060274.db2.gz XZCATKHLALMKMP-UHFFFAOYSA-N -1 0 317.410 3.509 50 0 DHAARM O=C([O-])c1sccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004104990 181073465 /nfs/dbraw/zinc/07/34/65/181073465.db2.gz JEUMRMUFUGPDLG-UHFFFAOYSA-N -1 0 315.272 3.717 50 0 DHAARM Cc1nc2cc(C)ccn2c1-c1csc([N-]c2ncccn2)n1 ZINC000004135705 181077606 /nfs/dbraw/zinc/07/76/06/181077606.db2.gz SHZVVYDHOHMUST-UHFFFAOYSA-N -1 0 322.397 3.608 50 0 DHAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)NCc1ccco1 ZINC000004272374 181090613 /nfs/dbraw/zinc/09/06/13/181090613.db2.gz MQTXHEAXLCFIIC-UHFFFAOYSA-N -1 0 321.332 3.575 50 0 DHAARM O=C([O-])c1cccc(Nc2ncnc3c4ccccc4oc32)c1 ZINC000004413332 181108161 /nfs/dbraw/zinc/10/81/61/181108161.db2.gz QXCCBJPPXJDBSR-UHFFFAOYSA-N -1 0 305.293 3.818 50 0 DHAARM CCn1c2ccccc2c2cc(NC(=O)CCC(=O)[O-])ccc21 ZINC000004663261 181133442 /nfs/dbraw/zinc/13/34/42/181133442.db2.gz BKPRNNXPZVIGMI-UHFFFAOYSA-N -1 0 310.353 3.618 50 0 DHAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccc(Br)cc1 ZINC000004949559 181178316 /nfs/dbraw/zinc/17/83/16/181178316.db2.gz SOGMBSAYZYTMIQ-UHFFFAOYSA-N -1 0 315.170 3.595 50 0 DHAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000005061726 181199076 /nfs/dbraw/zinc/19/90/76/181199076.db2.gz ADHBKLNXFBYECA-WEVVVXLNSA-N -1 0 302.301 3.511 50 0 DHAARM O=C([O-])[C@@H](Nc1ncnc2c3ccccc3oc21)c1ccccc1 ZINC000005144261 181208835 /nfs/dbraw/zinc/20/88/35/181208835.db2.gz WTPZBJWEILWBGY-AWEZNQCLSA-N -1 0 319.320 3.614 50 0 DHAARM CC[C@@H](C)[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000005219655 181218587 /nfs/dbraw/zinc/21/85/87/181218587.db2.gz MNDHHXNRWCXHNR-HQJQHLMTSA-N -1 0 319.188 3.614 50 0 DHAARM C[C@@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1F ZINC000237317667 202228025 /nfs/dbraw/zinc/22/80/25/202228025.db2.gz KQHGMJCTJRMUQB-UONOGXRCSA-N -1 0 321.392 3.565 50 0 DHAARM Cc1sc(NC(=O)C[C@H](C)CC(=O)[O-])nc1-c1ccccc1 ZINC000006527594 181349605 /nfs/dbraw/zinc/34/96/05/181349605.db2.gz ARILFEDMZPOJOX-JTQLQIEISA-N -1 0 318.398 3.558 50 0 DHAARM O=C([O-])c1c2cc(OC(F)(F)F)ccc2nc2c1CCCC2 ZINC000006667968 181368086 /nfs/dbraw/zinc/36/80/86/181368086.db2.gz XZBJHQNGKMFTBN-UHFFFAOYSA-N -1 0 311.259 3.710 50 0 DHAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1cccc(Cl)c1 ZINC000006698762 181372240 /nfs/dbraw/zinc/37/22/40/181372240.db2.gz SMYWGFOASPUJLS-UHFFFAOYSA-N -1 0 324.789 3.575 50 0 DHAARM COc1cc(C(=O)[O-])cc(Cl)c1OC(=O)c1ccc(C)cc1 ZINC000220972709 201581785 /nfs/dbraw/zinc/58/17/85/201581785.db2.gz ZPAGBDVRNPAPSO-UHFFFAOYSA-N -1 0 320.728 3.574 50 0 DHAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000008745262 181581449 /nfs/dbraw/zinc/58/14/49/181581449.db2.gz JDHZBFJXZBHVOS-ZDUSSCGKSA-N -1 0 317.772 3.845 50 0 DHAARM O=C([O-])c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000015414070 182001351 /nfs/dbraw/zinc/00/13/51/182001351.db2.gz GAUSLVKXUDKOGQ-UHFFFAOYSA-N -1 0 300.701 3.755 50 0 DHAARM COc1ccc(-c2noc([N-]c3cc(C)ccc3OC)n2)cc1 ZINC000015770778 182015611 /nfs/dbraw/zinc/01/56/11/182015611.db2.gz MNVDSEQTGKMJDH-UHFFFAOYSA-N -1 0 311.341 3.806 50 0 DHAARM Cc1cccc(CSc2nnc(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000016777190 182060097 /nfs/dbraw/zinc/06/00/97/182060097.db2.gz QZENKQLOOYSKMB-UHFFFAOYSA-N -1 0 323.421 3.769 50 0 DHAARM Cc1nc2c(nc(-c3ccc(Cl)c(Cl)c3)cc2C(=O)[O-])[nH]1 ZINC000016975575 182067024 /nfs/dbraw/zinc/06/70/24/182067024.db2.gz YSFFTOFTCQBCTH-UHFFFAOYSA-N -1 0 322.151 3.938 50 0 DHAARM O=C([O-])CC1(CC(=O)Nc2nc3ccccc3s2)CCCC1 ZINC000017054640 182072269 /nfs/dbraw/zinc/07/22/69/182072269.db2.gz URPRPKLCGOOUPI-UHFFFAOYSA-N -1 0 318.398 3.660 50 0 DHAARM Cc1ccc2oc(-c3ccccc3)c/c(=N\CCC(=O)[O-])c2c1 ZINC000019911635 182163839 /nfs/dbraw/zinc/16/38/39/182163839.db2.gz GOSGAWUBKZVXBL-CAPFRKAQSA-N -1 0 307.349 3.784 50 0 DHAARM CC(C)c1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000021786037 182289247 /nfs/dbraw/zinc/28/92/47/182289247.db2.gz OSOCKHYFDNWPTK-UHFFFAOYSA-N -1 0 320.399 3.630 50 0 DHAARM Cc1c(Nc2ncc(O)cc2C(=O)[O-])cccc1C(F)(F)F ZINC000022060677 182307001 /nfs/dbraw/zinc/30/70/01/182307001.db2.gz JSXNJGKWSWRIGA-UHFFFAOYSA-N -1 0 312.247 3.556 50 0 in-vitro DHAARM CCCc1nc2c(-c3ccccc3)c(C)[n-]n2c(=O)c1Cl ZINC000100482395 193799959 /nfs/dbraw/zinc/79/99/59/193799959.db2.gz WKMGURVAKIMFHV-UHFFFAOYSA-N -1 0 301.777 3.604 50 0 DHAARM CC(C)c1nc2cc([N-]S(=O)(=O)c3cccs3)ccc2[nH]1 ZINC000040287383 183052008 /nfs/dbraw/zinc/05/20/08/183052008.db2.gz CMFWHSCAHMTOMY-UHFFFAOYSA-N -1 0 321.427 3.549 50 0 DHAARM CCCOCc1nc(=O)c2sc(-c3ccccc3)cc2[n-]1 ZINC000058174788 184084618 /nfs/dbraw/zinc/08/46/18/184084618.db2.gz ZSRMRGIBZBSSPO-UHFFFAOYSA-N -1 0 300.383 3.578 50 0 DHAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCCCC1 ZINC000064820780 184303983 /nfs/dbraw/zinc/30/39/83/184303983.db2.gz MCKMSNNFDCOOQH-UHFFFAOYSA-N -1 0 318.417 3.894 50 0 DHAARM COc1ccc(-c2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000065336994 184325031 /nfs/dbraw/zinc/32/50/31/184325031.db2.gz ALOQAXGURYOTCY-UHFFFAOYSA-N -1 0 307.143 3.823 50 0 DHAARM O=C([O-])c1ccc(-c2ccccc2)cc1I ZINC000071864047 184874700 /nfs/dbraw/zinc/87/47/00/184874700.db2.gz BIXNTXRUYTWXGV-UHFFFAOYSA-N -1 0 324.117 3.656 50 0 DHAARM Cc1c2ccccc2oc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000321876172 337664733 /nfs/dbraw/zinc/66/47/33/337664733.db2.gz RBUZXFCHCWPBCF-UHFFFAOYSA-N -1 0 315.369 3.649 50 0 DHAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)o1 ZINC000237980651 526362529 /nfs/dbraw/zinc/36/25/29/526362529.db2.gz VJNUFMMMDUJBML-LBPRGKRZSA-N -1 0 319.744 3.609 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1 ZINC000000293917 563237097 /nfs/dbraw/zinc/23/70/97/563237097.db2.gz QPNIZUZSGWYVTG-UHFFFAOYSA-N -1 0 318.423 3.714 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000000294159 563237404 /nfs/dbraw/zinc/23/74/04/563237404.db2.gz YWMOHGQQVHRBJF-BDAKNGLRSA-N -1 0 316.184 3.823 50 0 DHAARM COc1ccc(-c2n[n-]c(=S)n2-c2ccc(OC)cc2)cc1 ZINC000000472326 563261110 /nfs/dbraw/zinc/26/11/10/563261110.db2.gz OJKLXZGCYFEHSY-UHFFFAOYSA-N -1 0 313.382 3.614 50 0 DHAARM O=C([O-])CC1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000002505790 563304708 /nfs/dbraw/zinc/30/47/08/563304708.db2.gz YWSKVCTVFIOFRT-UHFFFAOYSA-N -1 0 302.201 3.680 50 0 DHAARM Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)[O-])cc1 ZINC000003187278 563323222 /nfs/dbraw/zinc/32/32/22/563323222.db2.gz VVJZSJKEAFBVIP-XNTDXEJSSA-N -1 0 315.756 3.504 50 0 DHAARM COc1ccc(-n2c(C)c(C(=O)[O-])c3cc(OC)ccc32)cc1 ZINC000004344227 563326764 /nfs/dbraw/zinc/32/67/64/563326764.db2.gz UKQBXLSJGZQLIO-UHFFFAOYSA-N -1 0 311.337 3.654 50 0 DHAARM CCCCOc1cccc(-c2n[n-]c(=NC(=O)OC)s2)c1 ZINC000005013322 563329126 /nfs/dbraw/zinc/32/91/26/563329126.db2.gz CUULWOMWFZTBJU-UHFFFAOYSA-N -1 0 307.375 3.562 50 0 DHAARM O=C([O-])c1cccc(OCc2ccc(Br)cc2)c1 ZINC000007603944 563340296 /nfs/dbraw/zinc/34/02/96/563340296.db2.gz ZARFDOAGBBUOQZ-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C)cc1 ZINC000009191583 563352316 /nfs/dbraw/zinc/35/23/16/563352316.db2.gz QUMVXFZBAAFHGL-UHFFFAOYSA-N -1 0 318.380 3.662 50 0 DHAARM O=C([O-])[C@H](Oc1ccc(Br)cc1)c1ccccc1 ZINC000011961764 563361067 /nfs/dbraw/zinc/36/10/67/563361067.db2.gz GKPPWTYIGIOWRT-CYBMUJFWSA-N -1 0 307.143 3.654 50 0 DHAARM O=C([O-])c1ccc(Oc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000032918503 563444027 /nfs/dbraw/zinc/44/40/27/563444027.db2.gz WKHYZSWEHZDSCE-UHFFFAOYSA-N -1 0 310.284 3.773 50 0 DHAARM CC1(C)CCCC2=C1C[C@@H](C(=O)[O-])[C@@H](C(=O)N1CCCCC1)C2 ZINC000000301930 563447430 /nfs/dbraw/zinc/44/74/30/563447430.db2.gz OSMRSCRRFQBSNS-LSDHHAIUSA-N -1 0 319.445 3.616 50 0 biogenic DHAARM C[C@@H](c1ccc2ccccc2c1)N(C)C(=O)CCc1cc(=O)[n-]o1 ZINC000067642546 563488899 /nfs/dbraw/zinc/48/88/99/563488899.db2.gz OUIAFXVSCOIJMF-ZDUSSCGKSA-N -1 0 324.380 3.686 50 0 DHAARM Cc1ccc(S[C@H](CC(=O)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000000043122 563508948 /nfs/dbraw/zinc/50/89/48/563508948.db2.gz ZDELAXGOJWRTKD-MRXNPFEDSA-N -1 0 318.369 3.952 50 0 DHAARM Cc1ccc(C)c(NC(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)c1 ZINC000000048851 563512511 /nfs/dbraw/zinc/51/25/11/563512511.db2.gz GUZKZSJIGLZHCM-FZKQIMNGSA-N -1 0 303.402 3.769 50 0 DHAARM CC(C)(O)[C@H]1CCCN(Cc2c(Cl)ccc([O-])c2Cl)C1 ZINC000097172877 563537630 /nfs/dbraw/zinc/53/76/30/563537630.db2.gz JDFWOJBPPZLFLX-JTQLQIEISA-N -1 0 318.244 3.682 50 0 DHAARM O=C([O-])[C@H]1CC[C@H](C(=O)c2ccc(Br)cc2)CC1 ZINC000100449777 563550883 /nfs/dbraw/zinc/55/08/83/563550883.db2.gz IWFBIELJDOHRIX-JGZJWPJOSA-N -1 0 311.175 3.523 50 0 DHAARM O=[P@]([O-])(Cc1ccccc1)N1CCCC[C@H]1c1cccnc1 ZINC000263621530 563567626 /nfs/dbraw/zinc/56/76/26/563567626.db2.gz DEMZADNRXPLNNZ-KRWDZBQOSA-N -1 0 316.341 3.994 50 0 DHAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000000249095 563581838 /nfs/dbraw/zinc/58/18/38/563581838.db2.gz GALFHKTZOYSLSQ-CYBMUJFWSA-N -1 0 317.772 3.612 50 0 DHAARM Cc1cc(C)cc(C[C@H](CC(=O)[O-])C(=O)Nc2ccccc2)c1 ZINC000000297077 563585233 /nfs/dbraw/zinc/58/52/33/563585233.db2.gz IHNVKIUGXGRGDJ-MRXNPFEDSA-N -1 0 311.381 3.576 50 0 DHAARM Cc1cc(C(=O)N=c2nc(C)[n-]s2)sc1-c1ccccc1 ZINC000526052415 563625418 /nfs/dbraw/zinc/62/54/18/563625418.db2.gz LGEGVARFRHZDLC-UHFFFAOYSA-N -1 0 315.423 3.558 50 0 DHAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccc4c(c3)OCCO4)nc12 ZINC000000204609 563628415 /nfs/dbraw/zinc/62/84/15/563628415.db2.gz YAUIHOAMMZXDNR-UHFFFAOYSA-N -1 0 321.332 3.680 50 0 DHAARM CCc1cccc(CC)c1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000008745647 563644286 /nfs/dbraw/zinc/64/42/86/563644286.db2.gz NSJGJKVEBFFVDB-UHFFFAOYSA-N -1 0 303.402 3.785 50 0 DHAARM O=C([O-])CCc1ccc(-c2ccc(NC3CCCC3)nn2)cc1 ZINC000215567457 563706200 /nfs/dbraw/zinc/70/62/00/563706200.db2.gz SMYQWUIPQDAREV-UHFFFAOYSA-N -1 0 311.385 3.515 50 0 DHAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000000758730 563713704 /nfs/dbraw/zinc/71/37/04/563713704.db2.gz BKMHHDNUXMSYAH-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM Fc1c(F)c(Br)cc(Br)c1[S-] ZINC000263623893 563794592 /nfs/dbraw/zinc/79/45/92/563794592.db2.gz LPXHQLZTVLHOBQ-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM Cc1nc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2o1 ZINC000012535923 563798846 /nfs/dbraw/zinc/79/88/46/563798846.db2.gz VHUCGHHCKKCYNY-UHFFFAOYSA-N -1 0 322.773 3.590 50 0 DHAARM CC1(C)Cc2c(sc3[n-]c(C(F)(F)F)nc(=O)c23)C(=O)C1 ZINC000001273333 563810824 /nfs/dbraw/zinc/81/08/24/563810824.db2.gz FAPSCDWNMMHREQ-UHFFFAOYSA-N -1 0 316.304 3.571 50 0 DHAARM CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1 ZINC000012750853 563823580 /nfs/dbraw/zinc/82/35/80/563823580.db2.gz QWEJVASMEKYTOM-UHFFFAOYSA-N -1 0 312.369 3.629 50 0 DHAARM C[C@H](c1ccc2c(c1)CCO2)n1c(=O)c2ccccc2[n-]c1=S ZINC000084651773 563829326 /nfs/dbraw/zinc/82/93/26/563829326.db2.gz LDEIYBBJHQCZHX-LLVKDONJSA-N -1 0 324.405 3.603 50 0 DHAARM CCCCOc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000001787835 563878843 /nfs/dbraw/zinc/87/88/43/563878843.db2.gz NKNRDPPIZGPPKL-UHFFFAOYSA-N -1 0 313.353 3.816 50 0 DHAARM CS[C@H]1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000089334748 563885088 /nfs/dbraw/zinc/88/50/88/563885088.db2.gz JJOXEIHRCVICTO-UWVGGRQHSA-N -1 0 317.813 3.541 50 0 DHAARM O=C([O-])c1cccc(Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000001925534 563886170 /nfs/dbraw/zinc/88/61/70/563886170.db2.gz IBJSMVRLDMWAMT-UHFFFAOYSA-N -1 0 311.366 3.622 50 0 DHAARM CCCc1onc(-c2cc(Br)cs2)c1C(=O)[O-] ZINC000675058243 563910224 /nfs/dbraw/zinc/91/02/24/563910224.db2.gz YVSTVSDJLTUALA-UHFFFAOYSA-N -1 0 316.176 3.816 50 0 DHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1O ZINC000252474294 563915598 /nfs/dbraw/zinc/91/55/98/563915598.db2.gz AKRLAZJNDOXULH-UHFFFAOYSA-N -1 0 304.733 3.580 50 0 DHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(O)c1 ZINC000252475164 563915603 /nfs/dbraw/zinc/91/56/03/563915603.db2.gz VBGQBLFYIMNIHV-UHFFFAOYSA-N -1 0 304.733 3.580 50 0 DHAARM COc1cccc(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000252495686 563916182 /nfs/dbraw/zinc/91/61/82/563916182.db2.gz OWHQDYGFNIPQDY-UHFFFAOYSA-N -1 0 313.378 3.649 50 0 DHAARM O=S(=O)([N-]c1cccc2cccnc21)c1cccc(Cl)c1 ZINC000007709438 563918097 /nfs/dbraw/zinc/91/80/97/563918097.db2.gz BHTGUSSNNDOWJK-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)c1cn[nH]n1 ZINC000069518983 563953274 /nfs/dbraw/zinc/95/32/74/563953274.db2.gz IJXIODQJKWSSGQ-CYBMUJFWSA-N -1 0 322.368 3.505 50 0 DHAARM Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)[O-])c(N)c21 ZINC000009302837 563954752 /nfs/dbraw/zinc/95/47/52/563954752.db2.gz UAEDVHFIWBHCBC-UHFFFAOYSA-N -1 0 319.773 3.601 50 0 DHAARM Cc1cc(NC(=O)c2c(F)cccc2Cl)ccc1C(=O)[O-] ZINC000044749830 599917559 /nfs/dbraw/zinc/91/75/59/599917559.db2.gz PTFBQFSXLKWJEO-UHFFFAOYSA-N -1 0 307.708 3.738 50 0 DHAARM Cc1c2ccccc2oc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177484437 600224571 /nfs/dbraw/zinc/22/45/71/600224571.db2.gz PEGSKRHXHRXPSI-CQSZACIVSA-N -1 0 321.332 3.570 50 0 DHAARM Cc1scc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1C ZINC000399949404 605026074 /nfs/dbraw/zinc/02/60/74/605026074.db2.gz YSJPULUARJZZQJ-ZDUSSCGKSA-N -1 0 315.394 3.584 50 0 DHAARM O=C([O-])c1cccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000262309634 961636016 /nfs/dbraw/zinc/63/60/16/961636016.db2.gz POFLMAUODDHNMA-GXSJLCMTSA-N -1 0 315.291 3.692 50 0 DHAARM O=C([O-])c1ccc(C(=O)N2CCC(c3ccsc3)CC2)s1 ZINC000263565616 962733610 /nfs/dbraw/zinc/73/36/10/962733610.db2.gz FPYVZLQBXQOZJZ-UHFFFAOYSA-N -1 0 321.423 3.528 50 0 DHAARM CC[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000630302915 975240087 /nfs/dbraw/zinc/24/00/87/975240087.db2.gz LMDVHBXENVNPMM-SJKOYZFVSA-N -1 0 309.365 3.580 50 0 DHAARM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 ZINC000221744575 1026084012 /nfs/dbraw/zinc/08/40/12/1026084012.db2.gz JQKFUUGNKDRVPK-BAQGIRSFSA-N -1 0 306.321 3.518 50 0 DHAARM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000096936601 185393113 /nfs/dbraw/zinc/39/31/13/185393113.db2.gz KJCCLYSDOWQVLG-GHXNOFRVSA-N -1 0 321.376 3.916 50 0 DHAARM O=C([O-])c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1 ZINC000012349278 190636494 /nfs/dbraw/zinc/63/64/94/190636494.db2.gz QBJALIJBCDYYRB-UHFFFAOYSA-N -1 0 303.745 3.610 50 0 DHAARM CSc1ccsc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000095425528 185361744 /nfs/dbraw/zinc/36/17/44/185361744.db2.gz PRCYSPFAHJIPEV-UHFFFAOYSA-N -1 0 321.423 3.740 50 0 DHAARM C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000000031899 180671984 /nfs/dbraw/zinc/67/19/84/180671984.db2.gz UAJHBFHNGNEZJR-LRDDRELGSA-N -1 0 315.344 3.659 50 0 DHAARM CC1=C(C)C[C@H](C(=O)Nc2cccc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000000372522 180769823 /nfs/dbraw/zinc/76/98/23/180769823.db2.gz KOTAEYIGZGZJQW-KBPBESRZSA-N -1 0 307.777 3.726 50 0 DHAARM O=C([O-])c1cccc(NC(=O)COc2cccc3ccccc32)c1 ZINC000000619796 180830856 /nfs/dbraw/zinc/83/08/56/180830856.db2.gz VXBUKKVXBVIXMH-UHFFFAOYSA-N -1 0 321.332 3.556 50 0 DHAARM CCCCCCOc1ccc(C(=O)N[C@H](CCC)C(=O)[O-])cc1 ZINC000002307281 180919000 /nfs/dbraw/zinc/91/90/00/180919000.db2.gz IZFBBGMJTPWKCB-MRXNPFEDSA-N -1 0 321.417 3.629 50 0 DHAARM CCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000002797289 180958733 /nfs/dbraw/zinc/95/87/33/180958733.db2.gz HRFBCRAAFBIOTO-HOTGVXAUSA-N -1 0 301.386 3.635 50 0 DHAARM O=C([O-])/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000003434769 181019066 /nfs/dbraw/zinc/01/90/66/181019066.db2.gz QPXDCSBPVLLSLU-CMDGGOBGSA-N -1 0 310.378 3.758 50 0 DHAARM Cc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1 ZINC000003436510 181019515 /nfs/dbraw/zinc/01/95/15/181019515.db2.gz PKFRBIAJTLCNQB-UHFFFAOYSA-N -1 0 312.350 3.555 50 0 DHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003447708 181021359 /nfs/dbraw/zinc/02/13/59/181021359.db2.gz ZCHFUMHRQSKXTB-UHFFFAOYSA-N -1 0 305.783 3.650 50 0 DHAARM Cc1ccc(NC(=O)Nc2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000004419395 181108180 /nfs/dbraw/zinc/10/81/80/181108180.db2.gz IZEITTRQLQPAJE-UHFFFAOYSA-N -1 0 304.733 3.991 50 0 DHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000004660786 181133704 /nfs/dbraw/zinc/13/37/04/181133704.db2.gz GKFGGXYBNFXHEM-UHFFFAOYSA-N -1 0 319.426 3.811 50 0 DHAARM Cc1cccc(C)c1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004651521 181132193 /nfs/dbraw/zinc/13/21/93/181132193.db2.gz ZTXFNELASGUFNI-LSDHHAIUSA-N -1 0 301.386 3.689 50 0 DHAARM Cc1cccc(C)c1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004651520 181132246 /nfs/dbraw/zinc/13/22/46/181132246.db2.gz ZTXFNELASGUFNI-HUUCEWRRSA-N -1 0 301.386 3.689 50 0 DHAARM CC(C)c1ccsc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236811283 202022646 /nfs/dbraw/zinc/02/26/46/202022646.db2.gz MWHASOLQQYZEJA-LBPRGKRZSA-N -1 0 309.431 3.589 50 0 DHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)[O-])occ3C(C)(C)C ZINC000005235542 181219623 /nfs/dbraw/zinc/21/96/23/181219623.db2.gz BTIOCSFNKDFWPF-UHFFFAOYSA-N -1 0 314.337 3.772 50 0 DHAARM Cc1sc2[n-]c(=S)n(CCc3ccccc3)c(=O)c2c1C ZINC000005695741 181273329 /nfs/dbraw/zinc/27/33/29/181273329.db2.gz NNZBHNICQNUCFF-UHFFFAOYSA-N -1 0 316.451 3.980 50 0 DHAARM CC(=O)c1c([O-])c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000005730079 181277612 /nfs/dbraw/zinc/27/76/12/181277612.db2.gz AFOGJAQGTIJRSW-UHFFFAOYSA-N -1 0 319.360 3.721 50 0 DHAARM CCOc1cc(C(=O)[O-])ccc1OCCOc1cccc(C)c1 ZINC000005906566 181295428 /nfs/dbraw/zinc/29/54/28/181295428.db2.gz HOCRDZNJFWSYJP-UHFFFAOYSA-N -1 0 316.353 3.550 50 0 DHAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(Cl)s1 ZINC000006858682 181398457 /nfs/dbraw/zinc/39/84/57/181398457.db2.gz SNSCETRSXPPXIM-UHFFFAOYSA-N -1 0 324.814 3.751 50 0 in-vivo DHAARM O=C([O-])CCCCCNC(=O)c1cc2c(s1)CCCCCC2 ZINC000009550257 181629422 /nfs/dbraw/zinc/62/94/22/181629422.db2.gz AZLWWGNMGDLUOX-UHFFFAOYSA-N -1 0 323.458 3.782 50 0 DHAARM COc1ccc(-c2cc(C)c3ccccc3n2)cc1CC(=O)[O-] ZINC000015453981 182002864 /nfs/dbraw/zinc/00/28/64/182002864.db2.gz PBCVIMWSVGNZGS-UHFFFAOYSA-N -1 0 307.349 3.846 50 0 DHAARM CCCCc1nc2sc3c([n-]cnc3=O)c2c2c1CCCC2 ZINC000018068999 182092022 /nfs/dbraw/zinc/09/20/22/182092022.db2.gz OECIBPGDHJKIBN-UHFFFAOYSA-N -1 0 313.426 3.754 50 0 DHAARM Cc1[n-]n2c(nc(-c3ccc(C)cc3)cc2=O)c1-c1ccccc1 ZINC000018222289 182099351 /nfs/dbraw/zinc/09/93/51/182099351.db2.gz XQPRYBKWZYXDRE-UHFFFAOYSA-N -1 0 315.376 3.973 50 0 DHAARM O=C([O-])C[C@H](c1nccs1)c1cccc(Br)c1 ZINC000019784523 182148574 /nfs/dbraw/zinc/14/85/74/182148574.db2.gz RSXDQMUSOYKRKF-JTQLQIEISA-N -1 0 312.188 3.512 50 0 DHAARM O=C([O-])c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000032920038 182680669 /nfs/dbraw/zinc/68/06/69/182680669.db2.gz XEMMIWLDOUMUMQ-UHFFFAOYSA-N -1 0 309.300 3.725 50 0 DHAARM CCN(CC)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000058065142 184073040 /nfs/dbraw/zinc/07/30/40/184073040.db2.gz QANGFRYSBRRGMD-UHFFFAOYSA-N -1 0 318.398 3.545 50 0 DHAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC(OC2CCCC2)CC1 ZINC000058245401 184093987 /nfs/dbraw/zinc/09/39/87/184093987.db2.gz QEDIOMGTLRCTMZ-UHFFFAOYSA-N -1 0 323.820 3.609 50 0 DHAARM Cc1sc2ncnc(N[C@@H](C)C(=O)[O-])c2c1-c1ccccc1 ZINC000058279107 184099044 /nfs/dbraw/zinc/09/90/44/184099044.db2.gz LOZVXJHBSYBFFV-VIFPVBQESA-N -1 0 313.382 3.552 50 0 DHAARM O=C([O-])c1cccc(N2COc3ccc4ccccc4c3C2)c1 ZINC000000064819 134426819 /nfs/dbraw/zinc/42/68/19/134426819.db2.gz SCNRNPAUAVGSCP-UHFFFAOYSA-N -1 0 305.333 3.895 50 0 DHAARM COc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)[O-])cc1 ZINC000000081171 262527926 /nfs/dbraw/zinc/52/79/26/262527926.db2.gz SWTXFXAFIQBLQQ-UHFFFAOYSA-N -1 0 323.352 3.631 50 0 DHAARM Cc1ccc2c(C(=O)NC3CCC(C(=O)[O-])CC3)csc2c1 ZINC000263158919 337624978 /nfs/dbraw/zinc/62/49/78/337624978.db2.gz OOGQHIBEQGBOCX-UHFFFAOYSA-N -1 0 317.410 3.583 50 0 DHAARM O=C([O-])c1ccc(C(=O)N(Cc2ccoc2)C2CCCCC2)o1 ZINC000237974870 526361210 /nfs/dbraw/zinc/36/12/10/526361210.db2.gz IDDQHMZCIOCLMA-UHFFFAOYSA-N -1 0 317.341 3.546 50 0 DHAARM CCc1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)s1 ZINC000008772381 563950736 /nfs/dbraw/zinc/95/07/36/563950736.db2.gz JISRBSYEDDYHHF-UHFFFAOYSA-N -1 0 319.411 3.983 50 0 DHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2C)n1 ZINC000008714956 563348914 /nfs/dbraw/zinc/34/89/14/563348914.db2.gz WVRTVLSULHZOGT-UHFFFAOYSA-N -1 0 304.415 3.623 50 0 DHAARM Cc1c(O[C@@H](C)C(=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000044636 563211740 /nfs/dbraw/zinc/21/17/40/563211740.db2.gz UJGVKTUGTHSXJA-LBPRGKRZSA-N -1 0 324.332 3.620 50 0 biogenic DHAARM Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000087126 563215123 /nfs/dbraw/zinc/21/51/23/563215123.db2.gz DCDCMXNHFGOWSG-UHFFFAOYSA-N -1 0 301.342 3.836 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C ZINC000000310580 563239726 /nfs/dbraw/zinc/23/97/26/563239726.db2.gz AXRCJOOFHVKNQH-UHFFFAOYSA-N -1 0 319.426 3.811 50 0 DHAARM O=C([O-])c1ccc(-c2ccc(I)cc2)cc1 ZINC000000330051 563241406 /nfs/dbraw/zinc/24/14/06/563241406.db2.gz YQOGNSIRIUEMTE-UHFFFAOYSA-N -1 0 324.117 3.656 50 0 DHAARM O=C([O-])[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000002042225 563298466 /nfs/dbraw/zinc/29/84/66/563298466.db2.gz NQAUYMDFGPHZSI-FQEVSTJZSA-N -1 0 304.345 3.674 50 0 DHAARM O=C([O-])[C@@H]1CCC[C@H]1CC(=O)c1ccccc1Br ZINC000002574431 563309903 /nfs/dbraw/zinc/30/99/03/563309903.db2.gz UVVMQPBDJHJONA-VHSXEESVSA-N -1 0 311.175 3.523 50 0 DHAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000002585847 563310690 /nfs/dbraw/zinc/31/06/90/563310690.db2.gz YDSAGJMVVUBPOK-OAHLLOKOSA-N -1 0 315.369 3.880 50 0 DHAARM CCCCC(=O)Nc1cc(NC(=O)CCCC)cc(C(=O)[O-])c1 ZINC000002837004 563314167 /nfs/dbraw/zinc/31/41/67/563314167.db2.gz YSVXQJKOFXTBKF-UHFFFAOYSA-N -1 0 320.389 3.642 50 0 DHAARM [O-]C(c1ccc2ccccc2c1O)(C(F)(F)F)C(F)(F)F ZINC000004348173 563327429 /nfs/dbraw/zinc/32/74/29/563327429.db2.gz XUEIXZZGKCDNGZ-UHFFFAOYSA-N -1 0 310.193 3.858 50 0 DHAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1c(F)cccc1F ZINC000007053610 563335940 /nfs/dbraw/zinc/33/59/40/563335940.db2.gz FJMYQUXSXPXWSH-UHFFFAOYSA-N -1 0 319.332 3.919 50 0 DHAARM O=C([O-])/C=C/c1cc(Br)ccc1OC1CCCC1 ZINC000012394638 563368317 /nfs/dbraw/zinc/36/83/17/563368317.db2.gz ZLIVTTWJQAFYKU-VMPITWQZSA-N -1 0 311.175 3.868 50 0 DHAARM COc1cccc(-c2nc3ccccc3c(N3CCCC3)n2)c1[O-] ZINC000013126316 563378056 /nfs/dbraw/zinc/37/80/56/563378056.db2.gz WYHJQIBTWZCYDU-UHFFFAOYSA-N -1 0 321.380 3.611 50 0 DHAARM COc1cccc(-c2nc3ccccc3c(NC(C)C)n2)c1[O-] ZINC000013127472 563378784 /nfs/dbraw/zinc/37/87/84/563378784.db2.gz XFJDOMZEJAXJPU-UHFFFAOYSA-N -1 0 309.369 3.831 50 0 DHAARM O=C([O-])c1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000013166743 563379287 /nfs/dbraw/zinc/37/92/87/563379287.db2.gz XPCNGVLNBMBVJI-UHFFFAOYSA-N -1 0 303.745 3.610 50 0 DHAARM Cc1cccc(-n2c(=O)cc([O-])nc2SCc2ccccc2)c1 ZINC000013957243 563393224 /nfs/dbraw/zinc/39/32/24/563393224.db2.gz FSZDKGDGWFKQKY-UHFFFAOYSA-N -1 0 324.405 3.539 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NCc1ccc(Br)o1 ZINC000037087524 563458311 /nfs/dbraw/zinc/45/83/11/563458311.db2.gz YINGNFQMZBILBQ-UHFFFAOYSA-N -1 0 310.147 3.661 50 0 DHAARM Cc1c(CC(=O)[O-])c2c(n1-c1ccccc1)CC(C)(C)CC2=O ZINC000004624026 563477750 /nfs/dbraw/zinc/47/77/50/563477750.db2.gz XCICHVNQSQCVJY-UHFFFAOYSA-N -1 0 311.381 3.568 50 0 DHAARM CCCCc1nccc(-c2ccc(OCC)c(C(=O)[O-])c2)n1 ZINC000071762249 563500847 /nfs/dbraw/zinc/50/08/47/563500847.db2.gz BQVWTNKSGKXOGH-UHFFFAOYSA-N -1 0 300.358 3.583 50 0 DHAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000008105382 563515311 /nfs/dbraw/zinc/51/53/11/563515311.db2.gz OEZPYCRFNLNJAD-UHFFFAOYSA-N -1 0 311.353 3.889 50 0 DHAARM Cc1cc(C)c(NC(=O)c2ccccc2C(=O)[O-])c(Cl)c1 ZINC000000071247 563522672 /nfs/dbraw/zinc/52/26/72/563522672.db2.gz KBHIZMSXCGXNID-UHFFFAOYSA-N -1 0 303.745 3.907 50 0 DHAARM c1ccc(Nc2nonc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000098086441 563524046 /nfs/dbraw/zinc/52/40/46/563524046.db2.gz HKZGTOOSBZHFHG-UHFFFAOYSA-N -1 0 305.297 3.530 50 0 DHAARM O=c1c2ccccc2[n-]c(=S)n1Cc1ccccc1Cl ZINC000100071888 563545939 /nfs/dbraw/zinc/54/59/39/563545939.db2.gz RZBBMHDOJJOIMR-UHFFFAOYSA-N -1 0 302.786 3.761 50 0 DHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000000264702 563583625 /nfs/dbraw/zinc/58/36/25/563583625.db2.gz WSSSEJMXTLBOOZ-UHFFFAOYSA-N -1 0 317.819 3.601 50 0 DHAARM O=C([O-])Cc1csc(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000033507702 563593028 /nfs/dbraw/zinc/59/30/28/563593028.db2.gz LQLKGMWSBBEFOY-UHFFFAOYSA-N -1 0 302.277 3.533 50 0 DHAARM CSc1ccccc1NC(=O)c1noc2c1CCCCC2 ZINC000000426573 563612619 /nfs/dbraw/zinc/61/26/19/563612619.db2.gz HAUKOAAVBQSKED-UHFFFAOYSA-N -1 0 302.399 3.918 50 0 DHAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1Cc1ccc(F)cc1 ZINC000000425265 563612761 /nfs/dbraw/zinc/61/27/61/563612761.db2.gz MTAGHPPQGGJQDL-UHFFFAOYSA-N -1 0 320.776 3.900 50 0 DHAARM CCN(CC)C(=O)Sc1c(O)cc(Cl)c([O-])c1Cl ZINC000000977258 563619661 /nfs/dbraw/zinc/61/96/61/563619661.db2.gz BTOYGJROAANWQW-UHFFFAOYSA-N -1 0 310.202 3.959 50 0 DHAARM O=C([N-]Cc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000000476735 563630672 /nfs/dbraw/zinc/63/06/72/563630672.db2.gz UUAXTHSSTBYJHV-UHFFFAOYSA-N -1 0 321.418 3.980 50 0 DHAARM O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1[O-] ZINC000001401793 563818762 /nfs/dbraw/zinc/81/87/62/563818762.db2.gz AFZGQCTYSNEGLI-UHFFFAOYSA-N -1 0 307.136 3.608 50 0 DHAARM O=c1c2cc3c(cc2[n-]c(=S)n1C1CCCCCC1)OCO3 ZINC000000425096 563819166 /nfs/dbraw/zinc/81/91/66/563819166.db2.gz PNOOZHHWBPVFAL-UHFFFAOYSA-N -1 0 318.398 3.683 50 0 DHAARM O=c1oc2cc([O-])ccc2cc1-c1ccc(Br)cc1 ZINC000000057825 563912802 /nfs/dbraw/zinc/91/28/02/563912802.db2.gz QMKNKUCTQSRDGU-UHFFFAOYSA-N -1 0 317.138 3.928 50 0 biogenic,in-vitro DHAARM Cc1ccc([C@@H](NC(=O)c2c([O-])cc(F)cc2F)C2CC2)cc1 ZINC000066043106 563919727 /nfs/dbraw/zinc/91/97/27/563919727.db2.gz SHNOWDHRCRTZMN-QGZVFWFLSA-N -1 0 317.335 3.860 50 0 DHAARM O=S(=O)([N-]c1cccc(Cl)n1)c1cccc2ccccc21 ZINC000095944161 563932188 /nfs/dbraw/zinc/93/21/88/563932188.db2.gz JTIONYQLJMAGPT-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM CCc1ccc(NC(=O)Nc2c([O-])c3ccccc3oc2=O)cc1 ZINC000009607299 563957222 /nfs/dbraw/zinc/95/72/22/563957222.db2.gz VHWKLUZYOPUDLQ-UHFFFAOYSA-N -1 0 324.336 3.705 50 0 DHAARM Fc1cccc2c1CC[C@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000504057149 563961604 /nfs/dbraw/zinc/96/16/04/563961604.db2.gz UOTHLENSMZSAGX-OAHLLOKOSA-N -1 0 311.385 3.866 50 0 DHAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000322718047 951034428 /nfs/dbraw/zinc/03/44/28/951034428.db2.gz QCUQGKCOWZUEEI-MRXNPFEDSA-N -1 0 309.365 3.522 50 0 DHAARM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000066146197 957644731 /nfs/dbraw/zinc/64/47/31/957644731.db2.gz WSMKTLBZMYRCPA-GFCCVEGCSA-N -1 0 313.353 3.814 50 0 DHAARM COc1ccc(C=C(Cl)c2nc(=O)c3sccc3[n-]2)cc1 ZINC000009476887 1028434475 /nfs/dbraw/zinc/43/44/75/1028434475.db2.gz RHCNEONWZVEZHR-FLIBITNWSA-N -1 0 318.785 3.730 50 0 DHAARM CCSc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000585079840 1029620704 /nfs/dbraw/zinc/62/07/04/1029620704.db2.gz RLKKYYAOEWKBIE-UHFFFAOYSA-N -1 0 301.367 3.749 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000398700 1037847078 /nfs/dbraw/zinc/84/70/78/1037847078.db2.gz YRHPZOHJQBKKAC-NXEZZACHSA-N -1 0 314.168 3.599 50 0 DHAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000095530855 185378814 /nfs/dbraw/zinc/37/88/14/185378814.db2.gz CRRGAORGLHLOSE-IBGZPJMESA-N -1 0 310.397 3.646 50 0 DHAARM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1Cl ZINC000095535241 185379007 /nfs/dbraw/zinc/37/90/07/185379007.db2.gz AGMLDPOBKDEMIB-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1csc(C2CC2)n1 ZINC000079036767 185148083 /nfs/dbraw/zinc/14/80/83/185148083.db2.gz YCESGDLYRPXDKG-MRVPVSSYSA-N -1 0 322.817 3.871 50 0 DHAARM O=C([O-])Cc1ccc2c(c1)[nH]c1ccc(Br)cc12 ZINC000002999722 180976213 /nfs/dbraw/zinc/97/62/13/180976213.db2.gz UIUNPBLAXOCPDZ-UHFFFAOYSA-N -1 0 304.143 3.711 50 0 DHAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003875543 181051586 /nfs/dbraw/zinc/05/15/86/181051586.db2.gz QTXVAVXCBMYBJW-HNNXBMFYSA-N -1 0 308.333 3.610 50 0 in-vitro DHAARM O=c1c2ccccc2nc(-c2ccc(Cl)c(Cl)c2)n1[O-] ZINC000004059958 181068249 /nfs/dbraw/zinc/06/82/49/181068249.db2.gz BVLIDGAETAXMEG-UHFFFAOYSA-N -1 0 307.136 3.608 50 0 DHAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000004604688 181129388 /nfs/dbraw/zinc/12/93/88/181129388.db2.gz VQQFNBRBIAVAIZ-UHFFFAOYSA-N -1 0 321.785 3.769 50 0 DHAARM COc1ccc(/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1OC ZINC000004698107 181138523 /nfs/dbraw/zinc/13/85/23/181138523.db2.gz QSJJBKSZDQTKDZ-NTEUORMPSA-N -1 0 318.756 3.982 50 0 DHAARM O=C([O-])c1cc(Nc2nc(-c3ccccc3)cs2)ccc1O ZINC000004711772 181141213 /nfs/dbraw/zinc/14/12/13/181141213.db2.gz XEMLPFCMQBBRCG-UHFFFAOYSA-N -1 0 312.350 3.958 50 0 DHAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000004839354 181160834 /nfs/dbraw/zinc/16/08/34/181160834.db2.gz SBVLDNWAHAPWMD-SECBINFHSA-N -1 0 303.745 3.587 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004990575 181185823 /nfs/dbraw/zinc/18/58/23/181185823.db2.gz SUEJGYILKDAFBF-UWVGGRQHSA-N -1 0 316.184 3.823 50 0 DHAARM CC[C@@H](C)[C@H](Nc1nc(C)nc2c3ccccc3oc21)C(=O)[O-] ZINC000005278323 181225558 /nfs/dbraw/zinc/22/55/58/181225558.db2.gz VBWVTQZYKNGRSQ-RNCFNFMXSA-N -1 0 313.357 3.596 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000005579099 181259841 /nfs/dbraw/zinc/25/98/41/181259841.db2.gz SIZYAYFDCWDHHO-UHFFFAOYSA-N -1 0 305.399 3.503 50 0 DHAARM Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000005730197 181277618 /nfs/dbraw/zinc/27/76/18/181277618.db2.gz JBBILUYGMKLWOY-UHFFFAOYSA-N -1 0 317.341 3.542 50 0 DHAARM C[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000237590834 202294254 /nfs/dbraw/zinc/29/42/54/202294254.db2.gz ROXAVJWUOXIYAS-LIRRHRJNSA-N -1 0 323.392 3.537 50 0 DHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000237967575 202406823 /nfs/dbraw/zinc/40/68/23/202406823.db2.gz IKBAYINUUKCJAP-LBPRGKRZSA-N -1 0 317.410 3.618 50 0 DHAARM COc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1O ZINC000005957753 181300854 /nfs/dbraw/zinc/30/08/54/181300854.db2.gz KOIVFCXONCQFNG-SOFGYWHQSA-N -1 0 321.332 3.818 50 0 DHAARM CC1=C(C)C[C@H](C(=O)Nc2ccccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000006699396 181372034 /nfs/dbraw/zinc/37/20/34/181372034.db2.gz KJLDHYBSPPDMKK-RYUDHWBXSA-N -1 0 307.777 3.726 50 0 DHAARM O=C([O-])Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000006704503 181374734 /nfs/dbraw/zinc/37/47/34/181374734.db2.gz MKFXLHKRIBRYDY-UHFFFAOYSA-N -1 0 319.360 3.648 50 0 DHAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000006706538 181375067 /nfs/dbraw/zinc/37/50/67/181375067.db2.gz YHJFEDYTGPUFPP-ZDUSSCGKSA-N -1 0 304.415 3.704 50 0 DHAARM CC[C@H]1c2ccccc2CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000095989941 193481281 /nfs/dbraw/zinc/48/12/81/193481281.db2.gz VKDRQFGYNOAFFF-KRWDZBQOSA-N -1 0 309.365 3.534 50 0 DHAARM Cc1nc([N-]c2nc3ccccc3o2)nc2c1C(=O)CC(C)(C)C2 ZINC000008974782 181594007 /nfs/dbraw/zinc/59/40/07/181594007.db2.gz DFGPNSOPJNARPH-UHFFFAOYSA-N -1 0 322.368 3.825 50 0 DHAARM Cc1c(Cl)cccc1Nc1nc(=O)c(-c2ccccc2)n[n-]1 ZINC000016777467 182060715 /nfs/dbraw/zinc/06/07/15/182060715.db2.gz TVHHUZQUWAADOT-UHFFFAOYSA-N -1 0 312.760 3.537 50 0 DHAARM O=c1c2ccccc2[n-]c(=S)n1CCCCc1ccccc1 ZINC000017032151 182070045 /nfs/dbraw/zinc/07/00/45/182070045.db2.gz VQYLJVINOPOWIF-UHFFFAOYSA-N -1 0 310.422 3.708 50 0 DHAARM Cc1[n-]n2c(nc(Cc3ccccc3)cc2=O)c1-c1ccccc1 ZINC000018117100 182093907 /nfs/dbraw/zinc/09/39/07/182093907.db2.gz WRSPQUNKPVFOQH-UHFFFAOYSA-N -1 0 315.376 3.589 50 0 DHAARM CSc1ccc(-c2nc(CSCC(=O)[O-])c(C)o2)cc1 ZINC000021145957 182266587 /nfs/dbraw/zinc/26/65/87/182266587.db2.gz KQHJAJCUAJNBAK-UHFFFAOYSA-N -1 0 309.412 3.690 50 0 DHAARM CCc1cccc(N[C@@H](c2cccc(C)c2)[P@@](=O)([O-])O)c1 ZINC000024769773 182390526 /nfs/dbraw/zinc/39/05/26/182390526.db2.gz XKCTUHVEGRJLCZ-MRXNPFEDSA-N -1 0 305.314 3.846 50 0 DHAARM O=C([O-])c1cccnc1SCc1cc(-c2ccccc2)on1 ZINC000024926944 182395079 /nfs/dbraw/zinc/39/50/79/182395079.db2.gz QLKXMNWKYUTNHS-UHFFFAOYSA-N -1 0 312.350 3.727 50 0 DHAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])[C@H](C)c2ccccc2)cc1 ZINC000035142170 182755622 /nfs/dbraw/zinc/75/56/22/182755622.db2.gz XYBKFVXSGNRBEL-PBHICJAKSA-N -1 0 311.381 3.828 50 0 DHAARM O=C([O-])[C@@H]1CC[C@H](CC(=O)c2ccc(Br)cc2)C1 ZINC000043879064 183388562 /nfs/dbraw/zinc/38/85/62/183388562.db2.gz MIAFCGSAOYFALU-GXSJLCMTSA-N -1 0 311.175 3.523 50 0 DHAARM COc1ncccc1-c1cc(C(C)C)c(OCC(=O)[O-])cc1C ZINC000534661945 334322463 /nfs/dbraw/zinc/32/24/63/334322463.db2.gz RKXOJRZQIQISQU-UHFFFAOYSA-N -1 0 315.369 3.652 50 0 DHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC000347528571 335509802 /nfs/dbraw/zinc/50/98/02/335509802.db2.gz VOLWSVOTWDOXSK-ASRSSLEJSA-N -1 0 315.413 3.583 50 0 DHAARM CC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000075228 563213832 /nfs/dbraw/zinc/21/38/32/563213832.db2.gz KAGNFYNPIBRHJS-UHFFFAOYSA-N -1 0 313.353 3.526 50 0 DHAARM CC(C)c1nc2ccccc2n1C(=O)c1ccccc1C(=O)[O-] ZINC000000202681 563230365 /nfs/dbraw/zinc/23/03/65/563230365.db2.gz BBGQPPVLFOWBAH-UHFFFAOYSA-N -1 0 308.337 3.546 50 0 DHAARM Cc1nc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2s1 ZINC000000462990 563258834 /nfs/dbraw/zinc/25/88/34/563258834.db2.gz NQMGWYRDYLVHGK-UHFFFAOYSA-N -1 0 322.386 3.545 50 0 DHAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OCc1cccc(F)c1 ZINC000000586402 563268387 /nfs/dbraw/zinc/26/83/87/563268387.db2.gz PLZCHVMCKUMLRU-VQHVLOKHSA-N -1 0 316.328 3.901 50 0 DHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000000583229 563268456 /nfs/dbraw/zinc/26/84/56/563268456.db2.gz DYIORRUHHCUFPX-UHFFFAOYSA-N -1 0 319.426 3.675 50 0 DHAARM COc1ccc([C@@H](C)c2cccc(OC)c2C(=O)[O-])cc1OC ZINC000002143661 563300100 /nfs/dbraw/zinc/30/01/00/563300100.db2.gz VQDJJFZSLYXAAD-LLVKDONJSA-N -1 0 316.353 3.562 50 0 DHAARM Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1Cc1ccco1 ZINC000002911464 563344005 /nfs/dbraw/zinc/34/40/05/563344005.db2.gz LZPMXPYRUNTKHQ-UHFFFAOYSA-N -1 0 324.409 3.963 50 0 DHAARM CCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000008132489 563344549 /nfs/dbraw/zinc/34/45/49/563344549.db2.gz WVOWUHSTKHEGID-UHFFFAOYSA-N -1 0 319.426 3.811 50 0 DHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000008132511 563344735 /nfs/dbraw/zinc/34/47/35/563344735.db2.gz ZJVVHLOPLGGQCN-UHFFFAOYSA-N -1 0 319.426 3.730 50 0 DHAARM CC(C)c1ccc(OC(C)(C)C(=O)[O-])c(Br)c1 ZINC000011864757 563360165 /nfs/dbraw/zinc/36/01/65/563360165.db2.gz HCLZEOGBKUECMU-UHFFFAOYSA-N -1 0 301.180 3.815 50 0 DHAARM Cc1cccc(-c2ccc(Nc3cccc(C(=O)[O-])c3)nn2)c1 ZINC000032920036 563443732 /nfs/dbraw/zinc/44/37/32/563443732.db2.gz JKFUJGXOGBUTCS-UHFFFAOYSA-N -1 0 305.337 3.894 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1scnc1C(C)(C)C ZINC000097035803 563504596 /nfs/dbraw/zinc/50/45/96/563504596.db2.gz JQSPIDWJFBTJMP-UHFFFAOYSA-N -1 0 318.398 3.700 50 0 DHAARM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)o1 ZINC000000090060 563527594 /nfs/dbraw/zinc/52/75/94/563527594.db2.gz MINMSVKRWFZVNI-MRVPVSSYSA-N -1 0 319.382 3.725 50 0 DHAARM Cc1cc(C)nc(-n2[n-]c(-c3ccc4ccccc4c3)cc2=O)n1 ZINC000100131881 563546547 /nfs/dbraw/zinc/54/65/47/563546547.db2.gz QHYFFHBGUIUZRS-UHFFFAOYSA-N -1 0 316.364 3.805 50 0 DHAARM CCC(CC)C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000072233710 563568616 /nfs/dbraw/zinc/56/86/16/563568616.db2.gz KSTJLTJITQNUBD-UONOGXRCSA-N -1 0 313.438 3.913 50 0 DHAARM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000000108916 563570328 /nfs/dbraw/zinc/57/03/28/563570328.db2.gz QHNXSCBASNPKPN-HNNXBMFYSA-N -1 0 317.772 3.594 50 0 DHAARM CSc1c(Cl)cccc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000078938392 563617856 /nfs/dbraw/zinc/61/78/56/563617856.db2.gz GRSNULIYAMOZSL-UHFFFAOYSA-N -1 0 301.795 3.501 50 0 DHAARM Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000618573 563631824 /nfs/dbraw/zinc/63/18/24/563631824.db2.gz BWMNEKYCODLXTQ-UHFFFAOYSA-N -1 0 315.394 3.565 50 0 DHAARM O=C([O-])c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000018192257 563653128 /nfs/dbraw/zinc/65/31/28/563653128.db2.gz DQPUREQCIRMCNZ-UHFFFAOYSA-N -1 0 322.364 3.828 50 0 DHAARM O=C([O-])c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000000526440 563664864 /nfs/dbraw/zinc/66/48/64/563664864.db2.gz HRUJGXJWRAYFQA-UHFFFAOYSA-N -1 0 309.365 3.835 50 0 DHAARM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ncc[nH]2)C1 ZINC000048326921 563696492 /nfs/dbraw/zinc/69/64/92/563696492.db2.gz FGBNZXYHHOOLPM-NIANNCQZSA-N -1 0 319.364 3.779 50 0 DHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc3c(c2)CCC3)[C@H](C(=O)[O-])C1 ZINC000006848964 563706317 /nfs/dbraw/zinc/70/63/17/563706317.db2.gz OCJGRKZKQSBPLD-DLBZAZTESA-N -1 0 313.397 3.561 50 0 DHAARM C[C@H](Oc1cccc(/C=C2/CCc3ccccc3C2=O)c1)C(=O)[O-] ZINC000096035618 563752198 /nfs/dbraw/zinc/75/21/98/563752198.db2.gz QJOHMQBZTZQHBR-RERGGYADSA-N -1 0 322.360 3.751 50 0 DHAARM Fc1cc(Br)c([S-])c(Br)c1F ZINC000263624269 563794575 /nfs/dbraw/zinc/79/45/75/563794575.db2.gz OVZZNEPKOBZMKE-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000007052811 563901747 /nfs/dbraw/zinc/90/17/47/563901747.db2.gz LFTNNTKKLWFGEO-UHFFFAOYSA-N -1 0 319.426 3.893 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007057418 563901761 /nfs/dbraw/zinc/90/17/61/563901761.db2.gz IXIUFTAMRDKHPE-UHFFFAOYSA-N -1 0 311.790 3.540 50 0 DHAARM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]n1cn[nH]c1=S ZINC000014169453 563910510 /nfs/dbraw/zinc/91/05/10/563910510.db2.gz RAPBPTAWUBFISP-UHFFFAOYSA-N -1 0 324.365 3.532 50 0 DHAARM O=C([O-])c1ccccc1Nc1nc(Nc2ccccc2)ncc1F ZINC000014960343 563915047 /nfs/dbraw/zinc/91/50/47/563915047.db2.gz HBJUFAHIACMPFY-UHFFFAOYSA-N -1 0 324.315 3.801 50 0 DHAARM O=C([O-])c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1 ZINC000014960288 563915091 /nfs/dbraw/zinc/91/50/91/563915091.db2.gz DTMZXHDQZQLTHA-UHFFFAOYSA-N -1 0 324.315 3.801 50 0 DHAARM O=C([O-])CCCCCCCNC(=O)CCCc1cccs1 ZINC000095991946 563934372 /nfs/dbraw/zinc/93/43/72/563934372.db2.gz GXDCWRCAUPRPOT-UHFFFAOYSA-N -1 0 311.447 3.612 50 0 DHAARM Cc1[n-]n2c(nc(C(C)(C)C)cc2=O)c1-c1ccc(Cl)cc1 ZINC000008843989 563950997 /nfs/dbraw/zinc/95/09/97/563950997.db2.gz WXRIEEMJWXOCSW-UHFFFAOYSA-N -1 0 315.804 3.949 50 0 DHAARM Cc1ccc(C)c(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000008987275 563951919 /nfs/dbraw/zinc/95/19/19/563951919.db2.gz JVCJIMSRWKENLB-LJQANCHMSA-N -1 0 311.381 3.675 50 0 DHAARM CCc1ccc(-c2nc(-c3cc(C(=O)[O-])n[nH]3)c(C)s2)cc1 ZINC000021657752 563961643 /nfs/dbraw/zinc/96/16/43/563961643.db2.gz FXYHWONMKKFHFT-UHFFFAOYSA-N -1 0 313.382 3.769 50 0 DHAARM COc1cccc2cc(/C=C/c3ncc(C(=O)[O-])s3)oc21 ZINC000169975219 599907400 /nfs/dbraw/zinc/90/74/00/599907400.db2.gz MNYDQOIKNWXUSI-AATRIKPKSA-N -1 0 301.323 3.767 50 0 DHAARM CC(C)[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000349547099 951134000 /nfs/dbraw/zinc/13/40/00/951134000.db2.gz ZAQKGKCXJXMHNT-INIZCTEOSA-N -1 0 303.402 3.573 50 0 DHAARM O=C([O-])c1cccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000262309638 961636304 /nfs/dbraw/zinc/63/63/04/961636304.db2.gz POFLMAUODDHNMA-ONGXEEELSA-N -1 0 315.291 3.692 50 0 DHAARM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCc3ccccc3C2)c1 ZINC000581731146 974915168 /nfs/dbraw/zinc/91/51/68/974915168.db2.gz MDPHTWZUHMZEFS-DYVFJYSZSA-N -1 0 323.392 3.618 50 0 DHAARM O=C([O-])c1ncc(C(F)(F)F)cc1Oc1ccc(F)cc1 ZINC000225026884 1019351304 /nfs/dbraw/zinc/35/13/04/1019351304.db2.gz TVQABTSNQRGNSP-UHFFFAOYSA-N -1 0 301.195 3.730 50 0 DHAARM CC[C@H](O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000003149467 1020056622 /nfs/dbraw/zinc/05/66/22/1020056622.db2.gz JMDRSUYRUDUONP-HOCLYGCPSA-N -1 0 324.376 3.792 50 0 DHAARM C[C@H]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC12CCCCC2 ZINC000262869202 1024649440 /nfs/dbraw/zinc/64/94/40/1024649440.db2.gz CNNVNRLSSDBIBL-FHERZECASA-N -1 0 321.461 3.696 50 0 DHAARM Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000096662847 1024940853 /nfs/dbraw/zinc/94/08/53/1024940853.db2.gz NYEDDKVMWGSYEN-QPEQYQDCSA-N -1 0 300.745 3.739 50 0 DHAARM C[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccs1 ZINC000630328035 1031992203 /nfs/dbraw/zinc/99/22/03/1031992203.db2.gz FFKUNBAEPQFQRD-LEWSCRJBSA-N -1 0 315.394 3.678 50 0 DHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1SC ZINC000000528785 1036853546 /nfs/dbraw/zinc/85/35/46/1036853546.db2.gz HSOSXYOCQIYZGX-UHFFFAOYSA-N -1 0 323.439 3.526 50 0 DHAARM Cc1onc(-c2cc(Cl)ccc2Br)c1C(=O)[O-] ZINC000090251039 1037162342 /nfs/dbraw/zinc/16/23/42/1037162342.db2.gz FTRKWHKBGZHDRN-UHFFFAOYSA-N -1 0 316.538 3.764 50 0 DHAARM O=C([O-])c1cccc(NN=Cc2ccc(C(F)(F)F)cc2)c1 ZINC000254516510 1037538253 /nfs/dbraw/zinc/53/82/53/1037538253.db2.gz IQIRDIYMHAENGM-UHFFFAOYSA-N -1 0 308.259 3.850 50 0 DHAARM O=C(Nc1cccc(Cl)c1[O-])c1occc1Br ZINC000081780882 192322352 /nfs/dbraw/zinc/32/23/52/192322352.db2.gz BTULSQXSNUTXAV-UHFFFAOYSA-N -1 0 316.538 3.653 50 0 DHAARM O=C([O-])CSc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000012346775 190635821 /nfs/dbraw/zinc/63/58/21/190635821.db2.gz MINUADKIDYBZKW-UHFFFAOYSA-N -1 0 321.785 3.769 50 0 DHAARM CCOc1ccc(-c2ccnc(C3CCCC3)n2)cc1C(=O)[O-] ZINC000071747979 191021052 /nfs/dbraw/zinc/02/10/52/191021052.db2.gz QJOLQKQVILBBLM-UHFFFAOYSA-N -1 0 312.369 3.898 50 0 DHAARM O=C([O-])c1ccnc(-c2ccnc(-c3ccc(Cl)cc3)n2)c1 ZINC000071751924 191023621 /nfs/dbraw/zinc/02/36/21/191023621.db2.gz JWYIRVDGJXTLSY-UHFFFAOYSA-N -1 0 311.728 3.557 50 0 DHAARM CC(C)C[C@H](NC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)[O-] ZINC000145215135 186036851 /nfs/dbraw/zinc/03/68/51/186036851.db2.gz JDNKQMWGCKCHBF-CBBWQLFWSA-N -1 0 313.438 3.673 50 0 DHAARM O=C([O-])c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000000141510 180705917 /nfs/dbraw/zinc/70/59/17/180705917.db2.gz QMSPGJHRRUWFCE-UHFFFAOYSA-N -1 0 309.243 3.656 50 0 DHAARM COc1ccc(Oc2nc(-c3ccccc3)ncc2C(=O)[O-])cc1 ZINC000001404968 180862446 /nfs/dbraw/zinc/86/24/46/180862446.db2.gz CXLNHDUDRXQRGT-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM O=C([O-])c1ccccc1SCCC(=O)Nc1ccc(F)cc1 ZINC000003233376 180993931 /nfs/dbraw/zinc/99/39/31/180993931.db2.gz QDVKDBVOTVVRHL-UHFFFAOYSA-N -1 0 319.357 3.645 50 0 DHAARM COc1ccc2[nH]c(SCc3ccc(C(=O)[O-])cc3)nc2c1 ZINC000003848073 181048954 /nfs/dbraw/zinc/04/89/54/181048954.db2.gz IEQJLSGPTIUFRS-UHFFFAOYSA-N -1 0 314.366 3.562 50 0 DHAARM CC(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccs2)cc1 ZINC000004089469 181072042 /nfs/dbraw/zinc/07/20/42/181072042.db2.gz DMMKCNCQCHFLCX-CQSZACIVSA-N -1 0 317.410 3.817 50 0 DHAARM O=C([O-])Cc1c(Br)oc2ccc3ccccc3c21 ZINC000004137172 181077903 /nfs/dbraw/zinc/07/79/03/181077903.db2.gz VYAVMNAWFJNHMF-UHFFFAOYSA-N -1 0 305.127 3.976 50 0 DHAARM Cc1ccc(Cn2cc(-c3ccc(C)cc3)c(C(=O)[O-])n2)cc1 ZINC000004205589 181085295 /nfs/dbraw/zinc/08/52/95/181085295.db2.gz LVCJDHCBJANFFQ-UHFFFAOYSA-N -1 0 306.365 3.913 50 0 DHAARM CCCCc1ccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC000004301507 181094676 /nfs/dbraw/zinc/09/46/76/181094676.db2.gz UGTCQNZJDLMHSO-WFASDCNBSA-N -1 0 306.406 3.650 50 0 DHAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004603388 181129160 /nfs/dbraw/zinc/12/91/60/181129160.db2.gz WSAZUSZQDDRFPN-CYBMUJFWSA-N -1 0 313.353 3.918 50 0 DHAARM Cc1ccc(C)c(Cn2c3ccccc3c(C=O)c2C(=O)[O-])c1 ZINC000004636243 181131011 /nfs/dbraw/zinc/13/10/11/181131011.db2.gz YVVVFQXSOPFZIX-UHFFFAOYSA-N -1 0 307.349 3.817 50 0 DHAARM Cc1cccc(C)c1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004651519 181132027 /nfs/dbraw/zinc/13/20/27/181132027.db2.gz ZTXFNELASGUFNI-GJZGRUSLSA-N -1 0 301.386 3.689 50 0 DHAARM Cc1cccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1C ZINC000004724097 181142254 /nfs/dbraw/zinc/14/22/54/181142254.db2.gz ZBGXCMJLVANBLQ-GJZGRUSLSA-N -1 0 301.386 3.689 50 0 DHAARM CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000004819788 181156636 /nfs/dbraw/zinc/15/66/36/181156636.db2.gz UJOKOFCXXUTHFD-MAZHCROVSA-N -1 0 301.386 3.806 50 0 DHAARM COc1ccc([C@H]2C(C(=O)[O-])=C(C)O[C@H]2c2ccccc2)cc1 ZINC000004839597 181160537 /nfs/dbraw/zinc/16/05/37/181160537.db2.gz OMHMWPXVJHSGLF-ROUUACIJSA-N -1 0 310.349 3.909 50 0 DHAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)C[C@@H](c1ccccc1Cl)C2 ZINC000004839352 181160704 /nfs/dbraw/zinc/16/07/04/181160704.db2.gz SBVLDNWAHAPWMD-VIFPVBQESA-N -1 0 303.745 3.587 50 0 DHAARM Cc1ncsc1CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073492057 191320662 /nfs/dbraw/zinc/32/06/62/191320662.db2.gz MGRJLIDROSBDHF-UHFFFAOYSA-N -1 0 319.411 3.528 50 0 DHAARM Cc1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc1 ZINC000075352738 191465764 /nfs/dbraw/zinc/46/57/64/191465764.db2.gz YIGFBTRDMQQCKG-UHFFFAOYSA-N -1 0 321.311 3.693 50 0 DHAARM Cn1c(=O)c2c3c(sc2[n-]c1=S)C[C@@H](C(C)(C)C)CC3 ZINC000005687073 181272086 /nfs/dbraw/zinc/27/20/86/181272086.db2.gz ANKXEPGUWATASL-QMMMGPOBSA-N -1 0 308.472 3.809 50 0 DHAARM COc1ccc(-n2c(CCc3ccccc3)n[n-]c2=S)cc1 ZINC000005911019 181295736 /nfs/dbraw/zinc/29/57/36/181295736.db2.gz CKVDIMZPHXNJCK-UHFFFAOYSA-N -1 0 311.410 3.724 50 0 DHAARM CSc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000006623191 181362378 /nfs/dbraw/zinc/36/23/78/181362378.db2.gz YZGHQOWRHAZTSD-UHFFFAOYSA-N -1 0 313.831 3.863 50 0 DHAARM COc1cc(C(=O)[O-])cc(C23CC4CC(CC(C4)C2)C3)c1O ZINC000006668464 181368255 /nfs/dbraw/zinc/36/82/55/181368255.db2.gz MNQUSLMMLFRTOL-UHFFFAOYSA-N -1 0 302.370 3.567 50 0 DHAARM O=C([O-])c1cnc(/C=C\c2cc(Br)cs2)s1 ZINC000096315688 193613738 /nfs/dbraw/zinc/61/37/38/193613738.db2.gz JPNDASDZHUQXKA-UPHRSURJSA-N -1 0 316.201 3.836 50 0 DHAARM Cc1ccc(-n2c(Cc3noc4ccccc34)n[n-]c2=S)cc1 ZINC000013142527 181833024 /nfs/dbraw/zinc/83/30/24/181833024.db2.gz YIJANNALFSXWCG-UHFFFAOYSA-N -1 0 322.393 3.970 50 0 DHAARM CCCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000016007086 182028454 /nfs/dbraw/zinc/02/84/54/182028454.db2.gz RBDLKXJIZFHGMD-IRXDYDNUSA-N -1 0 317.429 3.706 50 0 DHAARM CC(C)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000016126952 182034884 /nfs/dbraw/zinc/03/48/84/182034884.db2.gz VPTCAKCEFOWQHT-UHFFFAOYSA-N -1 0 311.353 3.889 50 0 DHAARM O=C(/C=C\c1ccco1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000016696298 182058315 /nfs/dbraw/zinc/05/83/15/182058315.db2.gz GFCAYKAOXCYHRX-FPLPWBNLSA-N -1 0 317.366 3.570 50 0 DHAARM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000017054461 182072165 /nfs/dbraw/zinc/07/21/65/182072165.db2.gz AGAYSLSQGZAMOE-UHFFFAOYSA-N -1 0 317.819 3.519 50 0 DHAARM CCSc1ccccc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000020190953 182195403 /nfs/dbraw/zinc/19/54/03/182195403.db2.gz FVUXWWOTQHCNPG-UHFFFAOYSA-N -1 0 301.367 3.749 50 0 DHAARM O=C([O-])C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000020646009 182241230 /nfs/dbraw/zinc/24/12/30/182241230.db2.gz UYAPHQMKDCGFOH-UHFFFAOYSA-N -1 0 317.414 3.595 50 0 DHAARM CCn1c2ccccc2nc1[C@@H](CNc1ccccc1)CC(=O)[O-] ZINC000023135638 182350136 /nfs/dbraw/zinc/35/01/36/182350136.db2.gz VTGGCLUHJYGXDN-CQSZACIVSA-N -1 0 323.396 3.727 50 0 DHAARM Cc1nc(Cc2ccccc2Br)sc1C(=O)[O-] ZINC000043179077 183342691 /nfs/dbraw/zinc/34/26/91/183342691.db2.gz OBRJANYGAXVVIP-UHFFFAOYSA-N -1 0 312.188 3.503 50 0 DHAARM COc1ccc(COc2ccc(CC(=O)[O-])cc2C)cc1C ZINC000043190913 183343558 /nfs/dbraw/zinc/34/35/58/183343558.db2.gz WAKVSEYYGRGBTI-UHFFFAOYSA-N -1 0 300.354 3.518 50 0 DHAARM O=C([O-])[C@@H]1CCC[C@H]1CC(=O)c1ccccc1C(F)(F)F ZINC000043879141 183388504 /nfs/dbraw/zinc/38/85/04/183388504.db2.gz UJTUPPKERXWIIR-VHSXEESVSA-N -1 0 300.276 3.779 50 0 DHAARM Cc1cccc(-c2noc(-c3c[n-]c4ccc(C)cc4c3=O)n2)c1 ZINC000057354777 184035085 /nfs/dbraw/zinc/03/50/85/184035085.db2.gz WDWKQNNRMGUMMN-UHFFFAOYSA-N -1 0 317.348 3.862 50 0 DHAARM Cc1cccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)c1 ZINC000057354798 184035363 /nfs/dbraw/zinc/03/53/63/184035363.db2.gz HJIAOOZZMSXASW-UHFFFAOYSA-N -1 0 321.311 3.693 50 0 DHAARM CCCCN(C)c1ccc(NC(=O)CC(C)C)c(C(=O)[O-])c1 ZINC000064588931 184301032 /nfs/dbraw/zinc/30/10/32/184301032.db2.gz AVAIMSKOWHTWPP-UHFFFAOYSA-N -1 0 306.406 3.606 50 0 DHAARM CCOC(=O)N=c1[n-]nc(SCc2ccccc2F)s1 ZINC000065622825 184374784 /nfs/dbraw/zinc/37/47/84/184374784.db2.gz FYUMGAHXTCGAAY-UHFFFAOYSA-N -1 0 313.379 3.538 50 0 DHAARM O=C([O-])C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000004344006 331485766 /nfs/dbraw/zinc/48/57/66/331485766.db2.gz YMYZWUQHVWWZKI-UHFFFAOYSA-N -1 0 313.740 3.610 50 0 DHAARM O=C([O-])c1c(-c2cc(Br)cs2)noc1C(F)F ZINC000675058129 563910179 /nfs/dbraw/zinc/91/01/79/563910179.db2.gz WOENQGSKLWRZKV-UHFFFAOYSA-N -1 0 324.102 3.801 50 0 DHAARM CCn1c2cc(Cl)c(Cl)cc2nc1SCC(=O)[O-] ZINC000000121284 563220654 /nfs/dbraw/zinc/22/06/54/563220654.db2.gz GVSHJAURDPBWQE-UHFFFAOYSA-N -1 0 305.186 3.540 50 0 DHAARM CC1(C)S[C@H](c2ccc(Cl)cc2Cl)N[C@@H]1C(=O)[O-] ZINC000000134500 563222051 /nfs/dbraw/zinc/22/20/51/563222051.db2.gz YRSQTILUDWVTDT-NXEZZACHSA-N -1 0 306.214 3.560 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000244237 563232961 /nfs/dbraw/zinc/23/29/61/563232961.db2.gz FFMRPOSNJLCIBB-UHFFFAOYSA-N -1 0 309.243 3.656 50 0 DHAARM O=C([O-])C[C@@H](c1ccccc1)c1cc(Br)ccc1O ZINC000000312400 563239541 /nfs/dbraw/zinc/23/95/41/563239541.db2.gz FBEXBGDUKSAFSF-LBPRGKRZSA-N -1 0 321.170 3.761 50 0 DHAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc2ccccc2c1 ZINC000000318750 563240823 /nfs/dbraw/zinc/24/08/23/563240823.db2.gz RXXRUHVIYFPPNL-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM O=C([O-])c1cccc(COc2ccc(Br)cc2)c1 ZINC000000356118 563243867 /nfs/dbraw/zinc/24/38/67/563243867.db2.gz ZSJFWCQRVFWJCX-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM Cn1cc([C@@H](CC(=O)c2ccccc2)C(=O)[O-])c2ccccc21 ZINC000000384262 563248215 /nfs/dbraw/zinc/24/82/15/563248215.db2.gz CFCVZKGESVQTIL-OAHLLOKOSA-N -1 0 307.349 3.620 50 0 DHAARM CCOc1ccc(NC(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000393575 563249885 /nfs/dbraw/zinc/24/98/85/563249885.db2.gz ABMQTMNKACFCFY-KBXCAEBGSA-N -1 0 319.401 3.551 50 0 DHAARM O=C([O-])CCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000401938 563251282 /nfs/dbraw/zinc/25/12/82/563251282.db2.gz BNJGHEJKUYOPIZ-UHFFFAOYSA-N -1 0 310.564 3.840 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000461742 563259068 /nfs/dbraw/zinc/25/90/68/563259068.db2.gz VSMUYYFJVFSVCA-NWDGAFQWSA-N -1 0 316.184 3.823 50 0 in-vitro DHAARM Cc1c(Cl)cccc1N[C@@H](CC(=O)c1ccccc1)C(=O)[O-] ZINC000000482368 563262725 /nfs/dbraw/zinc/26/27/25/563262725.db2.gz FFZQJBQRNBTWNA-HNNXBMFYSA-N -1 0 317.772 3.787 50 0 DHAARM O=C([O-])CCCCCNc1ncnc2sc3c(c21)CCCC3 ZINC000001972930 563297631 /nfs/dbraw/zinc/29/76/31/563297631.db2.gz ZYVHVMUUAGQGIA-UHFFFAOYSA-N -1 0 319.430 3.627 50 0 DHAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3cccc4ccccc43)n2)n1 ZINC000006922221 563335269 /nfs/dbraw/zinc/33/52/69/563335269.db2.gz FCPMPYBZJDPQTC-UHFFFAOYSA-N -1 0 316.368 3.775 50 0 DHAARM O=C([O-])Cc1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000008024900 563343954 /nfs/dbraw/zinc/34/39/54/563343954.db2.gz JKHLKFJUVVQIJU-UHFFFAOYSA-N -1 0 303.170 3.821 50 0 DHAARM CC(C)COc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008723006 563349689 /nfs/dbraw/zinc/34/96/89/563349689.db2.gz WSXYVWNIJHEZJR-KBPBESRZSA-N -1 0 319.401 3.551 50 0 DHAARM Cc1nn(-c2ccc(F)cc2)c2nc(C(C)C)cc(C(=O)[O-])c12 ZINC000012397989 563368542 /nfs/dbraw/zinc/36/85/42/563368542.db2.gz OQUZABOAGONUDX-UHFFFAOYSA-N -1 0 313.332 3.690 50 0 DHAARM O=C([O-])c1cccnc1SCc1ccc(Br)cc1 ZINC000013188370 563379688 /nfs/dbraw/zinc/37/96/88/563379688.db2.gz CXLHGQGBIGZCPK-UHFFFAOYSA-N -1 0 324.199 3.835 50 0 DHAARM Cc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC000013467031 563382018 /nfs/dbraw/zinc/38/20/18/563382018.db2.gz DNKFRKVXMZRAGL-UHFFFAOYSA-N -1 0 309.793 3.930 50 0 DHAARM COc1ccc(-c2nc3sc(C(=O)[O-])c(C)c3c(C)n2)cc1 ZINC000013693313 563386069 /nfs/dbraw/zinc/38/60/69/563386069.db2.gz IOKCOJQMGNCSLP-UHFFFAOYSA-N -1 0 314.366 3.682 50 0 DHAARM Cc1cc2c([n-]c(=S)n(CCc3ccccc3)c2=O)s1 ZINC000017030856 563413679 /nfs/dbraw/zinc/41/36/79/563413679.db2.gz MFXMJYSJASUMSL-UHFFFAOYSA-N -1 0 302.424 3.672 50 0 DHAARM C/C=C(\NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038356069 563460263 /nfs/dbraw/zinc/46/02/63/563460263.db2.gz MCHXCZMMTWJODE-LILWFEGDSA-N -1 0 323.348 3.514 50 0 DHAARM COc1ccc(-c2cc(=O)n(-c3ccc(Cl)cc3)[n-]2)cc1 ZINC000100241531 563548261 /nfs/dbraw/zinc/54/82/61/563548261.db2.gz FVXMUZNWXLSNLO-UHFFFAOYSA-N -1 0 300.745 3.907 50 0 DHAARM O=c1nc(CN(Cc2cccs2)C2CC2)[n-]c2ccsc21 ZINC000046512199 563565924 /nfs/dbraw/zinc/56/59/24/563565924.db2.gz XEWSIMFXLKTYHZ-UHFFFAOYSA-N -1 0 317.439 3.623 50 0 DHAARM O=C([O-])c1c(NC(=O)CCc2ccccc2)sc2c1CCC2 ZINC000000227466 563579870 /nfs/dbraw/zinc/57/98/70/563579870.db2.gz ONJIWHSZSJRAHC-UHFFFAOYSA-N -1 0 315.394 3.506 50 0 DHAARM Cc1ccc(C([O-])=CC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000247834 563581709 /nfs/dbraw/zinc/58/17/09/563581709.db2.gz LDTHJMYYRITOJR-UHFFFAOYSA-N -1 0 302.757 3.869 50 0 DHAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000044253569 563598998 /nfs/dbraw/zinc/59/89/98/563598998.db2.gz BTQZOFMICBVGRY-UHFFFAOYSA-N -1 0 321.707 3.558 50 0 DHAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000049467058 563701871 /nfs/dbraw/zinc/70/18/71/563701871.db2.gz RCGRXQNGMBUCQT-INIZCTEOSA-N -1 0 313.397 3.566 50 0 DHAARM Cc1cc2oc(-c3ccc(Cl)s3)c(CC(=O)[O-])c2c(=O)[nH]1 ZINC000604418515 563719313 /nfs/dbraw/zinc/71/93/13/563719313.db2.gz ISUCGSSINBFKRF-UHFFFAOYSA-N -1 0 323.757 3.851 50 0 DHAARM [O-]c1c(Br)cc(OC(F)F)cc1Br ZINC000263623407 563794323 /nfs/dbraw/zinc/79/43/23/563794323.db2.gz HDMSQSFOUKFMDT-UHFFFAOYSA-N -1 0 317.911 3.519 50 0 DHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000010301872 563812283 /nfs/dbraw/zinc/81/22/83/563812283.db2.gz ZSQJBOIJVRCACW-UHFFFAOYSA-N -1 0 323.389 3.759 50 0 DHAARM Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002108983 563914133 /nfs/dbraw/zinc/91/41/33/563914133.db2.gz PUBFIXICANPISG-UHFFFAOYSA-N -1 0 320.300 3.580 50 0 biogenic DHAARM O=[P@]([O-])(Cc1ccccc1)N1CCCC[C@@H]1c1cccnc1 ZINC000002144815 563916020 /nfs/dbraw/zinc/91/60/20/563916020.db2.gz DEMZADNRXPLNNZ-QGZVFWFLSA-N -1 0 316.341 3.994 50 0 biogenic DHAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccccc1Cl ZINC000007709465 563918013 /nfs/dbraw/zinc/91/80/13/563918013.db2.gz XSBNGZNVBXGGKC-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM COc1ccc(Nc2cc([N+](=O)[O-])cc(Cl)c2C(=O)[O-])cc1 ZINC000019891724 563923725 /nfs/dbraw/zinc/92/37/25/563923725.db2.gz YLEVTMXIEPAHBZ-UHFFFAOYSA-N -1 0 322.704 3.699 50 0 DHAARM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000095956837 563932427 /nfs/dbraw/zinc/93/24/27/563932427.db2.gz IYVOIMNQJRZCNI-CQSZACIVSA-N -1 0 315.394 3.596 50 0 DHAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 ZINC000095965563 563932763 /nfs/dbraw/zinc/93/27/63/563932763.db2.gz ZCLGMWWZDTWVJM-UHFFFAOYSA-N -1 0 322.364 3.782 50 0 DHAARM CCc1cc2c(nc(C(C)C)nc2NCCCC(=O)[O-])s1 ZINC000008704567 563949689 /nfs/dbraw/zinc/94/96/89/563949689.db2.gz YZXFHZJZPKDZNR-UHFFFAOYSA-N -1 0 307.419 3.654 50 0 DHAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000008849450 563950931 /nfs/dbraw/zinc/95/09/31/563950931.db2.gz FYGZXGAITYOBRC-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM O=C([O-])CCc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000008906465 563951305 /nfs/dbraw/zinc/95/13/05/563951305.db2.gz ZJKALTVDJIJKJR-UHFFFAOYSA-N -1 0 309.321 3.702 50 0 DHAARM Cc1nnc(S[C@@H](C(=O)[O-])c2ccccc2)c2ccccc12 ZINC000009970820 563958121 /nfs/dbraw/zinc/95/81/21/563958121.db2.gz WULVLTYSPIZRMK-OAHLLOKOSA-N -1 0 310.378 3.856 50 0 DHAARM COc1cccc2cc(/C=C\c3ncc(C(=O)[O-])s3)oc21 ZINC000606441042 599907968 /nfs/dbraw/zinc/90/79/68/599907968.db2.gz MNYDQOIKNWXUSI-WAYWQWQTSA-N -1 0 301.323 3.767 50 0 DHAARM CCC(CC)(CNC(=O)c1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC000263061135 950239189 /nfs/dbraw/zinc/23/91/89/950239189.db2.gz MVTDVYXFHGSKKF-UHFFFAOYSA-N -1 0 317.385 3.670 50 0 DHAARM Cc1[n-]n(-c2nc(-c3cc4ccccc4[nH]3)cs2)c(=O)c1C ZINC000022148011 1013883896 /nfs/dbraw/zinc/88/38/96/1013883896.db2.gz SBNRZEJIABEAGD-VIFPVBQESA-N -1 0 310.382 3.650 50 0 DHAARM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000630142537 975126450 /nfs/dbraw/zinc/12/64/50/975126450.db2.gz BBDBIQCGWRTPGY-IAGOWNOFSA-N -1 0 323.392 3.836 50 0 DHAARM O=C([O-])c1ccn(CSc2cc(Cl)ccc2Cl)n1 ZINC000002786162 1023295095 /nfs/dbraw/zinc/29/50/95/1023295095.db2.gz NEHNOEMDKHXERX-UHFFFAOYSA-N -1 0 303.170 3.638 50 0 DHAARM C[C@H](Oc1ccc(CC(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000096997262 185395669 /nfs/dbraw/zinc/39/56/69/185395669.db2.gz ROVTUPDRPFNOBU-LBPRGKRZSA-N -1 0 324.336 3.504 50 0 DHAARM C[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1F ZINC000095425535 185361563 /nfs/dbraw/zinc/36/15/63/185361563.db2.gz WCUWVONBLQMHIS-GFCCVEGCSA-N -1 0 315.344 3.585 50 0 DHAARM Cc1cc(Cl)ccc1-c1cc(NCC(=O)[O-])nc2[nH]ccc21 ZINC000072151643 191056352 /nfs/dbraw/zinc/05/63/52/191056352.db2.gz UWXBCGXGIKOJSB-UHFFFAOYSA-N -1 0 315.760 3.688 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000298314 180751098 /nfs/dbraw/zinc/75/10/98/180751098.db2.gz GBALWYGHLDPXRV-NXEZZACHSA-N -1 0 314.168 3.599 50 0 DHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC000003049255 180978862 /nfs/dbraw/zinc/97/88/62/180978862.db2.gz HUKLVHREQBAJKH-UHFFFAOYSA-N -1 0 323.801 3.652 50 0 DHAARM COc1c(F)c(F)c(C(=O)[O-])c(Nc2ccccc2C)c1F ZINC000003651460 181043721 /nfs/dbraw/zinc/04/37/21/181043721.db2.gz YVTGRYLRQNYGED-UHFFFAOYSA-N -1 0 311.259 3.863 50 0 DHAARM COc1c(F)c(F)c(C(=O)[O-])c(Nc2cccc(C)c2)c1F ZINC000003651455 181043739 /nfs/dbraw/zinc/04/37/39/181043739.db2.gz VIPTULKXKKYOOJ-UHFFFAOYSA-N -1 0 311.259 3.863 50 0 DHAARM CCc1cc2c([n-]c(=S)n(CCc3ccccc3)c2=O)s1 ZINC000003887578 181052720 /nfs/dbraw/zinc/05/27/20/181052720.db2.gz IKXYRNSCOLECLT-UHFFFAOYSA-N -1 0 316.451 3.552 50 0 DHAARM Cn1c(=O)c2c(-c3ccccc3Cl)csc2[n-]c1=S ZINC000003887594 181053100 /nfs/dbraw/zinc/05/31/00/181053100.db2.gz KZVKZSGTZAEUNY-UHFFFAOYSA-N -1 0 308.815 3.978 50 0 DHAARM O=C([O-])[C@H]1CC(c2ccc(F)cc2)=Nc2ccccc2S1 ZINC000004137240 181078007 /nfs/dbraw/zinc/07/80/07/181078007.db2.gz HYRNGOMMJVNASV-OAHLLOKOSA-N -1 0 301.342 3.896 50 0 DHAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCC(C)C ZINC000004820748 181156511 /nfs/dbraw/zinc/15/65/11/181156511.db2.gz CARBXQOFVILFDV-UHFFFAOYSA-N -1 0 317.179 3.581 50 0 DHAARM CC[C@H](C)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000004819789 181156807 /nfs/dbraw/zinc/15/68/07/181156807.db2.gz UJOKOFCXXUTHFD-RCBQFDQVSA-N -1 0 301.386 3.806 50 0 DHAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1C ZINC000004970437 181181716 /nfs/dbraw/zinc/18/17/16/181181716.db2.gz NHNHZSFLINURKP-UHFFFAOYSA-N -1 0 324.833 3.769 50 0 DHAARM Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)[O-])c2n1 ZINC000005212305 181217746 /nfs/dbraw/zinc/21/77/46/181217746.db2.gz JBQMLOWLXLEWKA-UHFFFAOYSA-N -1 0 300.745 3.970 50 0 DHAARM Cc1ccc(C)c(SCc2nc(=O)c3sccc3[n-]2)c1 ZINC000005263263 181223498 /nfs/dbraw/zinc/22/34/98/181223498.db2.gz DGEZQYXEAKHWEL-UHFFFAOYSA-N -1 0 302.424 3.894 50 0 DHAARM CC1(C)[C@H](C(=O)Nc2cccc(Cl)c2)CC[C@@]1(C)C(=O)[O-] ZINC000005482299 181248419 /nfs/dbraw/zinc/24/84/19/181248419.db2.gz LVYAYVHCJMDWCN-LRDDRELGSA-N -1 0 309.793 3.806 50 0 DHAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006241093 181322026 /nfs/dbraw/zinc/32/20/26/181322026.db2.gz HGBUHVFNDKCSSD-CYBMUJFWSA-N -1 0 317.772 3.612 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006328639 181330609 /nfs/dbraw/zinc/33/06/09/181330609.db2.gz NYNHZOFZAMITQY-NWDGAFQWSA-N -1 0 314.168 3.599 50 0 DHAARM [O-]c1cc(OC(F)F)cc(Br)c1Br ZINC000263623764 203488149 /nfs/dbraw/zinc/48/81/49/203488149.db2.gz KNZVDCWWGYTDMC-UHFFFAOYSA-N -1 0 317.911 3.519 50 0 DHAARM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000096004317 193487075 /nfs/dbraw/zinc/48/70/75/193487075.db2.gz MCTSHKWZVNOZHG-LLVKDONJSA-N -1 0 319.351 3.767 50 0 DHAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)[N-]OCc1ccccc1 ZINC000012799135 181799090 /nfs/dbraw/zinc/79/90/90/181799090.db2.gz JGBYMPKNXKVOGS-CYBMUJFWSA-N -1 0 319.788 3.664 50 0 DHAARM O=C([O-])c1c(Br)c2ccccc2nc1C(F)(F)F ZINC000016159911 182035632 /nfs/dbraw/zinc/03/56/32/182035632.db2.gz IMXGCAYXSYGXDF-UHFFFAOYSA-N -1 0 320.064 3.714 50 0 DHAARM O=C([O-])c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F ZINC000016159711 182035832 /nfs/dbraw/zinc/03/58/32/182035832.db2.gz LPBAQAAQTHCFIO-UHFFFAOYSA-N -1 0 311.046 3.654 50 0 DHAARM Cc1ccc(-c2n[n-]c(Nc3cccc(Cl)c3)nc2=O)cc1 ZINC000016777325 182060077 /nfs/dbraw/zinc/06/00/77/182060077.db2.gz PGHIPROOESPUEQ-UHFFFAOYSA-N -1 0 312.760 3.537 50 0 DHAARM Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)[O-])cc1)CC3 ZINC000019881085 182160326 /nfs/dbraw/zinc/16/03/26/182160326.db2.gz SVUXUIKKMDLXDW-UHFFFAOYSA-N -1 0 304.349 3.936 50 0 DHAARM COc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1Cl ZINC000020564339 182233111 /nfs/dbraw/zinc/23/31/11/182233111.db2.gz NNCRZZGONOMERZ-UHFFFAOYSA-N -1 0 312.152 3.960 50 0 DHAARM CN(Cc1cccc(Cl)c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000040159651 183041337 /nfs/dbraw/zinc/04/13/37/183041337.db2.gz OFGJEMSFUIQWBQ-UHFFFAOYSA-N -1 0 310.180 3.971 50 0 DHAARM O=C([O-])c1ccnc(Oc2cccc(C(F)(F)F)c2F)c1 ZINC000040451278 183068443 /nfs/dbraw/zinc/06/84/43/183068443.db2.gz ZXGLVBTWPAHNNP-UHFFFAOYSA-N -1 0 301.195 3.730 50 0 DHAARM CCCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCCC2 ZINC000041128005 183169561 /nfs/dbraw/zinc/16/95/61/183169561.db2.gz NSFNGIGNFUNVPH-MRXNPFEDSA-N -1 0 315.413 3.814 50 0 DHAARM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccsc3)no2)c1 ZINC000065153429 184312789 /nfs/dbraw/zinc/31/27/89/184312789.db2.gz PIKBKQJCWVAFRD-UHFFFAOYSA-N -1 0 320.395 3.512 50 0 DHAARM COc1ccc(Br)c(-c2cccc(C(=O)[O-])c2)c1 ZINC000065336975 184324986 /nfs/dbraw/zinc/32/49/86/184324986.db2.gz PNVILPFIXBRYAL-UHFFFAOYSA-N -1 0 307.143 3.823 50 0 DHAARM COc1ccc(-c2cccc(C(=O)[O-])c2)cc1Br ZINC000065336992 184325116 /nfs/dbraw/zinc/32/51/16/184325116.db2.gz AAYOTNRWOUSBAC-UHFFFAOYSA-N -1 0 307.143 3.823 50 0 DHAARM CSc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(C(=O)[O-])s1 ZINC000065406723 184338566 /nfs/dbraw/zinc/33/85/66/184338566.db2.gz PXBOKEXEKOJWJK-JTQLQIEISA-N -1 0 319.407 3.642 50 0 DHAARM O=C([O-])c1ccccc1C(=O)N(Cc1ccccc1)C1CCCC1 ZINC000426533725 257247885 /nfs/dbraw/zinc/24/78/85/257247885.db2.gz DZGODXSVSRLPDL-UHFFFAOYSA-N -1 0 323.392 3.970 50 0 DHAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)n1 ZINC000001264416 331465910 /nfs/dbraw/zinc/46/59/10/331465910.db2.gz VNWAJCNEEDVPQO-UHFFFAOYSA-N -1 0 322.416 3.920 50 0 DHAARM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(F)cc1F ZINC000007053563 331501039 /nfs/dbraw/zinc/50/10/39/331501039.db2.gz CDTYEZRCUIFVOU-UHFFFAOYSA-N -1 0 319.332 3.919 50 0 DHAARM Fc1cc(F)c(Br)c([S-])c1Br ZINC000263624554 563794906 /nfs/dbraw/zinc/79/49/06/563794906.db2.gz RNHBTXVHXBVZIQ-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM Cc1c(C)c2c(cc1Cl)C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2 ZINC000034019463 563446401 /nfs/dbraw/zinc/44/64/01/563446401.db2.gz IDFHCDIRYRPEOQ-NSHDSACASA-N -1 0 306.667 3.748 50 0 DHAARM O=C([O-])c1cc(-c2ccco2)nc2ccc(Br)cc21 ZINC000000053336 563211996 /nfs/dbraw/zinc/21/19/96/563211996.db2.gz LZLBRWWWEBHEDO-UHFFFAOYSA-N -1 0 318.126 3.956 50 0 DHAARM O=C([O-])c1c2cc(Br)ccc2nc2c1CCCC2 ZINC000000101324 563217031 /nfs/dbraw/zinc/21/70/31/563217031.db2.gz INXRKMNRRUIKBF-UHFFFAOYSA-N -1 0 306.159 3.574 50 0 DHAARM CC1(C)S[C@@H](c2ccc(Cl)cc2Cl)N[C@H]1C(=O)[O-] ZINC000000134504 563222415 /nfs/dbraw/zinc/22/24/15/563222415.db2.gz YRSQTILUDWVTDT-UWVGGRQHSA-N -1 0 306.214 3.560 50 0 DHAARM O=S(=O)([N-]c1cccnc1)c1ccc(Cl)c2ccccc21 ZINC000000192105 563229756 /nfs/dbraw/zinc/22/97/56/563229756.db2.gz CAFFKTBOQHAZSQ-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM O=S(=O)([N-]c1nc2ccc(Cl)cc2s1)c1ccccc1 ZINC000000207366 563230372 /nfs/dbraw/zinc/23/03/72/563230372.db2.gz ZXKFHDGIJPIUAM-UHFFFAOYSA-N -1 0 324.814 3.751 50 0 DHAARM COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000000244904 563232825 /nfs/dbraw/zinc/23/28/25/563232825.db2.gz LAKNSQZHAUYJJM-UHFFFAOYSA-N -1 0 323.348 3.815 50 0 DHAARM COc1cccc(C(=O)C[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000001400835 563282735 /nfs/dbraw/zinc/28/27/35/563282735.db2.gz JKEWPTJEBFCGQL-HNNXBMFYSA-N -1 0 318.756 3.790 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C ZINC000002749659 563312710 /nfs/dbraw/zinc/31/27/10/563312710.db2.gz MTMGXTPMMANLEH-UHFFFAOYSA-N -1 0 318.423 3.714 50 0 DHAARM CCCCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000003094731 563321960 /nfs/dbraw/zinc/32/19/60/563321960.db2.gz MHUFBSHKGRBQKW-JKSUJKDBSA-N -1 0 319.401 3.695 50 0 DHAARM O=C([O-])CSc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000003269312 563323820 /nfs/dbraw/zinc/32/38/20/563323820.db2.gz RQJQIXQJZZVSEW-UHFFFAOYSA-N -1 0 314.341 3.613 50 0 DHAARM CCCCCCc1c(C)nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c1=O ZINC000008020298 563343891 /nfs/dbraw/zinc/34/38/91/563343891.db2.gz UOFFHNRHOYVQKV-ZIAGYGMSSA-N -1 0 305.466 3.683 50 0 DHAARM CC(C)(C)c1cc(NC(=O)c2ccc(Br)o2)no1 ZINC000012381617 563367868 /nfs/dbraw/zinc/36/78/68/563367868.db2.gz WOFXJHQYLOCUDT-UHFFFAOYSA-N -1 0 313.151 3.580 50 0 DHAARM O=P([O-])([O-])C1([NH2+]C[C@@H]2CCCc3ccccc32)CCCCC1 ZINC000012997482 563376901 /nfs/dbraw/zinc/37/69/01/563376901.db2.gz QSZQQARKYYRCCS-HNNXBMFYSA-N -1 0 323.373 3.534 50 0 DHAARM O=C([O-])c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013166515 563379698 /nfs/dbraw/zinc/37/96/98/563379698.db2.gz LQMCIHFGIGMYME-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000014867577 563403705 /nfs/dbraw/zinc/40/37/05/563403705.db2.gz AKEILLAQXBVBFH-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM Cc1ccccc1SCC(=O)c1ccc(C(=O)[O-])cc1C ZINC000028527108 563432063 /nfs/dbraw/zinc/43/20/63/563432063.db2.gz CSMHENLQDGLURN-UHFFFAOYSA-N -1 0 300.379 3.977 50 0 DHAARM O=[P@]([O-])(O[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000004984832 563450641 /nfs/dbraw/zinc/45/06/41/563450641.db2.gz PGQVKIUJJMTASN-ZDUSSCGKSA-N -1 0 316.215 3.818 50 0 DHAARM O=C([O-])c1c(Br)nccc1-c1ccc(Cl)cc1 ZINC000034743194 563451236 /nfs/dbraw/zinc/45/12/36/563451236.db2.gz PKBRYBJHIGRLEK-UHFFFAOYSA-N -1 0 312.550 3.863 50 0 DHAARM O=S(=O)([O-])CCCN1c2ccccc2Sc2ccccc21 ZINC000071186795 563498555 /nfs/dbraw/zinc/49/85/55/563498555.db2.gz ONVGBCNKVCPJCI-UHFFFAOYSA-N -1 0 321.423 3.567 50 0 DHAARM Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000097045096 563504616 /nfs/dbraw/zinc/50/46/16/563504616.db2.gz BITDMACSFFRSLV-HZPDHXFCSA-N -1 0 317.429 3.592 50 0 DHAARM Cc1ccc(C)c(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)c1 ZINC000000048854 563512316 /nfs/dbraw/zinc/51/23/16/563512316.db2.gz GUZKZSJIGLZHCM-UGSOOPFHSA-N -1 0 303.402 3.769 50 0 DHAARM Cc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000095945915 563531255 /nfs/dbraw/zinc/53/12/55/563531255.db2.gz SUXRSOLYDQWJAD-UHFFFAOYSA-N -1 0 305.399 3.625 50 0 DHAARM C[C@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2Cc2ccccc21 ZINC000000209308 563578159 /nfs/dbraw/zinc/57/81/59/563578159.db2.gz KGUJICJKGOBPND-ZBEGNZNMSA-N -1 0 307.349 3.589 50 0 DHAARM O=C([O-])CSc1nc(/C=C/c2ccccc2)nc2ccccc21 ZINC000005012935 563595452 /nfs/dbraw/zinc/59/54/52/563595452.db2.gz IOQXHBHTYSQRBY-ZHACJKMWSA-N -1 0 322.389 3.977 50 0 DHAARM O=c1cc(Cc2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000100700847 563599067 /nfs/dbraw/zinc/59/90/67/563599067.db2.gz CBYKVEQSTWBKQI-UHFFFAOYSA-N -1 0 307.378 3.632 50 0 DHAARM O=c1cc(-c2ccc(F)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000101311437 563654807 /nfs/dbraw/zinc/65/48/07/563654807.db2.gz YHWYBPFZJYFMCL-UHFFFAOYSA-N -1 0 311.341 3.994 50 0 DHAARM O=C([O-])CC1(NC(=O)CCc2ccc(Cl)cc2)CCCCC1 ZINC000219142708 563718604 /nfs/dbraw/zinc/71/86/04/563718604.db2.gz GTJSBPGWLWOPRO-UHFFFAOYSA-N -1 0 323.820 3.566 50 0 DHAARM Fc1cc(F)c(Br)c(Br)c1[S-] ZINC000263623440 563794628 /nfs/dbraw/zinc/79/46/28/563794628.db2.gz HMMYAYGURXHFAM-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM Cn1cc(C(=O)c2ccccc2[O-])cc1-c1nc2ccccc2[nH]1 ZINC000012520183 563796690 /nfs/dbraw/zinc/79/66/90/563796690.db2.gz UECYSOFVIOCDRT-UHFFFAOYSA-N -1 0 317.348 3.505 50 0 DHAARM Cc1ccc([C@@H](Nc2cccc(C)c2)[P@@](=O)([O-])O)c(C)c1 ZINC000012536576 563799278 /nfs/dbraw/zinc/79/92/78/563799278.db2.gz RZLAEUBAISLIGZ-INIZCTEOSA-N -1 0 305.314 3.900 50 0 DHAARM Cc1n[n-]sc1=NC(=O)OCc1ccc(C(F)(F)F)cc1 ZINC000001392283 563817528 /nfs/dbraw/zinc/81/75/28/563817528.db2.gz XAAIVBDWZDVLQB-UHFFFAOYSA-N -1 0 317.292 3.614 50 0 DHAARM C[C@H](Sc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC000012759167 563824908 /nfs/dbraw/zinc/82/49/08/563824908.db2.gz XTNVCRHYPILQFH-NSHDSACASA-N -1 0 301.367 3.504 50 0 DHAARM C[C@@H]1CCc2c(C(=O)NCCCCCCC(=O)[O-])csc2C1 ZINC000012875185 563850543 /nfs/dbraw/zinc/85/05/43/563850543.db2.gz ULPNFLGPSLIMKG-GFCCVEGCSA-N -1 0 323.458 3.638 50 0 DHAARM O=C([O-])c1ccc(-c2cccc(C(=O)C3CCOCC3)c2)cc1 ZINC000565543815 563857519 /nfs/dbraw/zinc/85/75/19/563857519.db2.gz NLGBKGIWCRRMAF-UHFFFAOYSA-N -1 0 310.349 3.661 50 0 DHAARM O=C([O-])c1cc(Br)ccc1NN=Cc1ccccc1 ZINC000250819449 563872293 /nfs/dbraw/zinc/87/22/93/563872293.db2.gz QRVAGAJLAWMKSP-UHFFFAOYSA-N -1 0 319.158 3.593 50 0 DHAARM CC(C)c1cc(Br)ccc1OCCCC(=O)[O-] ZINC000001787405 563878869 /nfs/dbraw/zinc/87/88/69/563878869.db2.gz RGGVPGLOSFZDSS-UHFFFAOYSA-N -1 0 301.180 3.816 50 0 DHAARM CC(=NNc1ccc(C(=O)[O-])cc1)c1c(C)nn(C(C)C)c1C ZINC000252474962 563885565 /nfs/dbraw/zinc/88/55/65/563885565.db2.gz PKPHXRPHRKPOFW-UHFFFAOYSA-N -1 0 314.389 3.615 50 0 DHAARM CC[C@@H](C)[C@@H](Nc1nc(C)nc2c3ccccc3oc21)C(=O)[O-] ZINC000006952713 563900696 /nfs/dbraw/zinc/90/06/96/563900696.db2.gz VBWVTQZYKNGRSQ-NOZJJQNGSA-N -1 0 313.357 3.596 50 0 DHAARM Cc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(F)c1 ZINC000008924850 563951482 /nfs/dbraw/zinc/95/14/82/563951482.db2.gz QXJGJVWICWMJCN-SFHVURJKSA-N -1 0 315.344 3.505 50 0 DHAARM Cc1ccc(C)c(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000008987271 563951946 /nfs/dbraw/zinc/95/19/46/563951946.db2.gz JVCJIMSRWKENLB-IBGZPJMESA-N -1 0 311.381 3.675 50 0 DHAARM Cc1ccc(C(=O)CSc2n[nH]c(-c3cccs3)n2)s1 ZINC000009451768 563955952 /nfs/dbraw/zinc/95/59/52/563955952.db2.gz ZHQNKUUCJSWFJT-UHFFFAOYSA-N -1 0 321.452 3.878 50 0 DHAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccccc1Cl ZINC000071281189 563958006 /nfs/dbraw/zinc/95/80/06/563958006.db2.gz FTKAQOLRHVMRGL-ZETCQYMHSA-N -1 0 308.746 3.618 50 0 DHAARM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000262247947 598154569 /nfs/dbraw/zinc/15/45/69/598154569.db2.gz CPEXSIUGQMLBDF-QGZVFWFLSA-N -1 0 324.380 3.537 50 0 DHAARM CC(=O)Nc1cc(C(=O)CSc2ccc(C)cc2)ccc1[O-] ZINC000031682494 1024524459 /nfs/dbraw/zinc/52/44/59/1024524459.db2.gz NYGNBQJUGVPJEI-UHFFFAOYSA-N -1 0 315.394 3.634 50 0 DHAARM Cc1nc2c(-c3cccc4ccccc43)c[n-]n2c(=O)c1Cl ZINC000106600828 1024549435 /nfs/dbraw/zinc/54/94/35/1024549435.db2.gz QERHNQMUDPHUCI-UHFFFAOYSA-N -1 0 309.756 3.805 50 0 DHAARM C[C@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000095424112 185361446 /nfs/dbraw/zinc/36/14/46/185361446.db2.gz LVICNXSMBMXUJQ-CQSZACIVSA-N -1 0 317.429 3.650 50 0 DHAARM Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)c1C ZINC000072148582 191054836 /nfs/dbraw/zinc/05/48/36/191054836.db2.gz GUFHJUVFBIIORW-OAHLLOKOSA-N -1 0 323.392 3.631 50 0 DHAARM Cc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)c(C)c1 ZINC000000046852 180677071 /nfs/dbraw/zinc/67/70/71/180677071.db2.gz BGQUDYRFIATXBL-UHFFFAOYSA-N -1 0 318.398 3.620 50 0 DHAARM O=C([O-])c1ccc(COc2ccc(Br)cc2)cc1 ZINC000000373761 180769959 /nfs/dbraw/zinc/76/99/59/180769959.db2.gz SBTXPVSBPVKUCV-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM CCOc1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000000393574 180775494 /nfs/dbraw/zinc/77/54/94/180775494.db2.gz ABMQTMNKACFCFY-RDTXWAMCSA-N -1 0 319.401 3.551 50 0 DHAARM O=C([O-])[C@@H]1CCC[C@H]1CC(=O)c1cccc(Br)c1 ZINC000002574432 180936717 /nfs/dbraw/zinc/93/67/17/180936717.db2.gz DTACUJOMFXBPGV-JOYOIKCWSA-N -1 0 311.175 3.523 50 0 DHAARM CC(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cccs2)cc1 ZINC000004089471 181071989 /nfs/dbraw/zinc/07/19/89/181071989.db2.gz DMMKCNCQCHFLCX-AWEZNQCLSA-N -1 0 317.410 3.817 50 0 DHAARM Cc1ccc(C(=O)COC(=O)c2ccccc2[S-])cc1C ZINC000004480265 181112640 /nfs/dbraw/zinc/11/26/40/181112640.db2.gz MUUDSACNBYWHTH-UHFFFAOYSA-N -1 0 300.379 3.632 50 0 DHAARM Cc1ccccc1-c1nc2ccc(NC(=O)CCC(=O)[O-])cc2o1 ZINC000004520028 181118766 /nfs/dbraw/zinc/11/87/66/181118766.db2.gz NEGYLQUXXNSBHK-UHFFFAOYSA-N -1 0 324.336 3.607 50 0 DHAARM O=C([O-])c1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1 ZINC000004688508 181136992 /nfs/dbraw/zinc/13/69/92/181136992.db2.gz REWMALDCUMYVEA-UHFFFAOYSA-N -1 0 312.350 3.958 50 0 DHAARM O=C([O-])c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O ZINC000004826027 181158369 /nfs/dbraw/zinc/15/83/69/181158369.db2.gz QCVATNBALPIHCP-UHFFFAOYSA-N -1 0 314.724 3.735 50 0 DHAARM O=C([O-])Cc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000085477251 192512439 /nfs/dbraw/zinc/51/24/39/192512439.db2.gz JVGUJFHLJQWVBQ-UHFFFAOYSA-N -1 0 323.392 3.607 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000005867491 181291989 /nfs/dbraw/zinc/29/19/89/181291989.db2.gz HRDUKTWWAGKPPH-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000238852427 202451220 /nfs/dbraw/zinc/45/12/20/202451220.db2.gz FXUMVFKWQOPVTE-NXHRZFHOSA-N -1 0 323.392 3.698 50 0 DHAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000006528721 181351134 /nfs/dbraw/zinc/35/11/34/181351134.db2.gz WRPWSMPOYCKKCQ-UHFFFAOYSA-N -1 0 320.172 3.933 50 0 DHAARM CCOc1ccccc1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000006730750 181379048 /nfs/dbraw/zinc/37/90/48/181379048.db2.gz GHWIWFREEJHSMH-UHFFFAOYSA-N -1 0 314.341 3.736 50 0 DHAARM Cc1cc(C(=O)[O-])c(NC(=S)Nc2ccccc2F)s1 ZINC000008300962 181545555 /nfs/dbraw/zinc/54/55/55/181545555.db2.gz OOKONUWZCWJSEM-UHFFFAOYSA-N -1 0 310.375 3.703 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000013094978 181827982 /nfs/dbraw/zinc/82/79/82/181827982.db2.gz FICCUPYHHFFCIM-JXMROGBWSA-N -1 0 301.729 3.690 50 0 DHAARM Cc1cccc(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)c1C ZINC000016806834 182061324 /nfs/dbraw/zinc/06/13/24/182061324.db2.gz QWQKRECVZVUCQF-UHFFFAOYSA-N -1 0 306.369 3.528 50 0 DHAARM Cc1ccc(NC[C@@H](CC(=O)[O-])c2nc3ccccc3[nH]2)cc1C ZINC000017052872 182071418 /nfs/dbraw/zinc/07/14/18/182071418.db2.gz JMVWGAXQZNKQGR-CQSZACIVSA-N -1 0 323.396 3.850 50 0 DHAARM O=C([O-])c1nc(SCc2ccc(Cl)cc2)ncc1Cl ZINC000021959333 182300182 /nfs/dbraw/zinc/30/01/82/182300182.db2.gz VJNRPNVIOWGIMJ-UHFFFAOYSA-N -1 0 315.181 3.774 50 0 DHAARM CCC(C(=O)c1ccc(OC)cc1)=C([O-])c1ccc(OC)cc1 ZINC000100087428 193794126 /nfs/dbraw/zinc/79/41/26/193794126.db2.gz ADOUYSBKSXTAMH-UHFFFAOYSA-N -1 0 312.365 3.796 50 0 DHAARM O=c1c(Br)c(C(F)(F)F)[n-]c2ccc(F)cc12 ZINC000038537259 183001444 /nfs/dbraw/zinc/00/14/44/183001444.db2.gz MCCSZUCEZSMGAJ-UHFFFAOYSA-N -1 0 310.044 3.861 50 0 DHAARM Cc1nc(-c2ccc(C(F)(F)F)cc2F)sc1C(=O)[O-] ZINC000040566673 183103865 /nfs/dbraw/zinc/10/38/65/183103865.db2.gz PLQSFZXGFFQSBZ-UHFFFAOYSA-N -1 0 305.252 3.975 50 0 DHAARM CCCCC(=O)Nc1ccc(N2CCCCCC2)c(C(=O)[O-])c1 ZINC000058064930 184072921 /nfs/dbraw/zinc/07/29/21/184072921.db2.gz QFDDYVPOBLYHGA-UHFFFAOYSA-N -1 0 318.417 3.894 50 0 DHAARM CCC[C@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000238950526 257260248 /nfs/dbraw/zinc/26/02/48/257260248.db2.gz YMVGSAHCPGFRPV-IXDOHACOSA-N -1 0 317.429 3.578 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000129778 257266388 /nfs/dbraw/zinc/26/63/88/257266388.db2.gz OJRBXIASDCEFTM-NWDGAFQWSA-N -1 0 315.291 3.535 50 0 DHAARM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000131117304 196141714 /nfs/dbraw/zinc/14/17/14/196141714.db2.gz REOZQFMLYLJICM-UHFFFAOYSA-N -1 0 303.383 3.671 50 0 DHAARM CC[C@H](CCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000008739008 431412100 /nfs/dbraw/zinc/41/21/00/431412100.db2.gz ZHOYHGKJOTWIGC-LLVKDONJSA-N -1 0 318.398 3.640 50 0 DHAARM C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000013166049 333129900 /nfs/dbraw/zinc/12/99/00/333129900.db2.gz WOSDWKNTAINYLY-NSHDSACASA-N -1 0 301.367 3.504 50 0 DHAARM CC(C)(C)c1nc2ncccn2c1-c1ccc(CCC(=O)[O-])cc1 ZINC000534641401 334311362 /nfs/dbraw/zinc/31/13/62/334311362.db2.gz PWXYFIYPQIYIJB-UHFFFAOYSA-N -1 0 323.396 3.711 50 0 DHAARM Cc1ccc(C(=O)CSc2ccccc2C(=O)[O-])c(C)c1 ZINC000000240052 563580628 /nfs/dbraw/zinc/58/06/28/563580628.db2.gz WZUUQBIWZHAHJM-UHFFFAOYSA-N -1 0 300.379 3.977 50 0 DHAARM O=C([O-])Cc1ccc(OCCCc2ccccc2)c(Cl)c1 ZINC000002546356 563308335 /nfs/dbraw/zinc/30/83/35/563308335.db2.gz KBCZNZAJUAKAFK-UHFFFAOYSA-N -1 0 304.773 3.979 50 0 DHAARM O=S(=O)([N-]c1ccncc1)c1ccc(Cl)c2ccccc21 ZINC000000234760 563232097 /nfs/dbraw/zinc/23/20/97/563232097.db2.gz HHLRMKANSLPWNI-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM CC(C)(C)c1ccc(C([O-])=CS(=O)(=O)c2ccccc2)cc1 ZINC000000386129 563249165 /nfs/dbraw/zinc/24/91/65/563249165.db2.gz PFVSMUOUMZNZTJ-UHFFFAOYSA-N -1 0 316.422 3.641 50 0 DHAARM Cc1ccc2nc([N-]S(=O)(=O)Cc3ccccc3)sc2c1 ZINC000000457060 563257756 /nfs/dbraw/zinc/25/77/56/563257756.db2.gz QFWYYEOUYVFJEX-UHFFFAOYSA-N -1 0 318.423 3.547 50 0 DHAARM COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)[O-])cc1 ZINC000000459388 563258494 /nfs/dbraw/zinc/25/84/94/563258494.db2.gz QQLAJYFBOAHMSU-FMIVXFBMSA-N -1 0 320.348 3.646 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)Nc1ccc(F)cc1F ZINC000000611412 563268994 /nfs/dbraw/zinc/26/89/94/563268994.db2.gz LXMLCZWSNWURBP-UHFFFAOYSA-N -1 0 322.336 3.780 50 0 DHAARM O=C(c1cnn(-c2ccccc2)c1)c1ccc2ccccc2c1[O-] ZINC000001395058 563282109 /nfs/dbraw/zinc/28/21/09/563282109.db2.gz LCLHJCSRXDMWDP-UHFFFAOYSA-N -1 0 314.344 3.962 50 0 DHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1CC ZINC000002884302 563317026 /nfs/dbraw/zinc/31/70/26/563317026.db2.gz XYNSJAMLWHXLLU-UHFFFAOYSA-N -1 0 319.426 3.757 50 0 DHAARM CCc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000007709488 563341480 /nfs/dbraw/zinc/34/14/80/563341480.db2.gz TVRPLRKECBGJGF-UHFFFAOYSA-N -1 0 312.394 3.598 50 0 DHAARM O=C([O-])Cc1csc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000008024890 563344201 /nfs/dbraw/zinc/34/42/01/563344201.db2.gz NCOJLVAZZSOBPA-UHFFFAOYSA-N -1 0 303.170 3.821 50 0 DHAARM CCc1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)cc1 ZINC000008132580 563344435 /nfs/dbraw/zinc/34/44/35/563344435.db2.gz GZGNITBFIJBMDK-UHFFFAOYSA-N -1 0 319.426 3.621 50 0 DHAARM O=C([O-])Cc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000008730094 563350038 /nfs/dbraw/zinc/35/00/38/563350038.db2.gz UKVOEFKMYPJICK-UHFFFAOYSA-N -1 0 305.252 3.595 50 0 DHAARM C[C@@H](Oc1ccc(C(C)(C)C)cc1Br)C(=O)[O-] ZINC000011798716 563359034 /nfs/dbraw/zinc/35/90/34/563359034.db2.gz KXIHIHBOOAAHCY-MRVPVSSYSA-N -1 0 301.180 3.599 50 0 DHAARM Cc1nn(-c2ccccc2F)c2nc(C)c(Cl)c(C(=O)[O-])c12 ZINC000012396205 563368129 /nfs/dbraw/zinc/36/81/29/563368129.db2.gz YSSWRFOBGKMMFR-UHFFFAOYSA-N -1 0 319.723 3.528 50 0 DHAARM CCc1cc(C(=O)[O-])c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000012399137 563368337 /nfs/dbraw/zinc/36/83/37/563368337.db2.gz NLLSWNKFZRNIOL-UHFFFAOYSA-N -1 0 307.353 3.559 50 0 DHAARM Cc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c1 ZINC000012535921 563370609 /nfs/dbraw/zinc/37/06/09/563370609.db2.gz ZJKSIXIBCIRMPZ-UHFFFAOYSA-N -1 0 313.781 3.897 50 0 DHAARM CC(C)(C)Nc1nnc(SCc2cccc(C(=O)[O-])c2)s1 ZINC000012789252 563374178 /nfs/dbraw/zinc/37/41/78/563374178.db2.gz JGKADQIMNIXJEI-UHFFFAOYSA-N -1 0 323.443 3.739 50 0 DHAARM CC(=O)c1cc2c(cc1O)[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000015252725 563408357 /nfs/dbraw/zinc/40/83/57/563408357.db2.gz SAGXNMAORPXGSC-NZSAHSFTSA-N -1 0 316.397 3.690 50 0 DHAARM COc1ccccc1Oc1ccnc(-c2cccc(C(=O)[O-])c2)n1 ZINC000032918455 563443288 /nfs/dbraw/zinc/44/32/88/563443288.db2.gz ICEUOJZKJQWNGC-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM COc1cc(C)ccc1OCCCOc1ccccc1C(=O)[O-] ZINC000002994837 563449560 /nfs/dbraw/zinc/44/95/60/563449560.db2.gz SRGJNBLMDPPSFY-UHFFFAOYSA-N -1 0 316.353 3.550 50 0 DHAARM Cc1ccnc([C@H](NC(=O)c2ccc([O-])c(Cl)c2)C2CC2)c1 ZINC000067713498 563489668 /nfs/dbraw/zinc/48/96/68/563489668.db2.gz STESACKPLQSENH-MRXNPFEDSA-N -1 0 316.788 3.630 50 0 DHAARM CCC(CC)(CC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000011254733 563514511 /nfs/dbraw/zinc/51/45/11/563514511.db2.gz AITBTGISSHVIOO-UHFFFAOYSA-N -1 0 313.781 3.568 50 0 DHAARM CC(C)(O)[C@@H]1CCCN(Cc2c(Cl)ccc([O-])c2Cl)C1 ZINC000097172875 563537954 /nfs/dbraw/zinc/53/79/54/563537954.db2.gz JDFWOJBPPZLFLX-SNVBAGLBSA-N -1 0 318.244 3.682 50 0 DHAARM O=C([O-])CCn1c2ccccc2nc1SCc1ccccc1 ZINC000000193447 563577515 /nfs/dbraw/zinc/57/75/15/563577515.db2.gz CJNLUAPDQIJRJN-UHFFFAOYSA-N -1 0 312.394 3.803 50 0 DHAARM Cc1cc(C(C)(C)C)oc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000000269380 563583710 /nfs/dbraw/zinc/58/37/10/563583710.db2.gz JKUJUSATWHBQNF-UHFFFAOYSA-N -1 0 301.342 3.836 50 0 DHAARM CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000000237515 563628267 /nfs/dbraw/zinc/62/82/67/563628267.db2.gz RTCPKJKONPARHX-UHFFFAOYSA-N -1 0 319.744 3.689 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000000469767 563630648 /nfs/dbraw/zinc/63/06/48/563630648.db2.gz GJXMPASCTGPECF-UHFFFAOYSA-N -1 0 303.745 3.528 50 0 DHAARM O=C([O-])c1ccccc1SCc1nnc(-c2ccccc2)o1 ZINC000011692907 563650737 /nfs/dbraw/zinc/65/07/37/563650737.db2.gz KKEDEKACMLWWTE-UHFFFAOYSA-N -1 0 312.350 3.727 50 0 DHAARM CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000013012668 563655055 /nfs/dbraw/zinc/65/50/55/563655055.db2.gz GJWVNCAEGZOABK-CHWSQXEVSA-N -1 0 301.386 3.590 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000046834797 563678343 /nfs/dbraw/zinc/67/83/43/563678343.db2.gz BZOFHBCVJVQPJW-UHFFFAOYSA-N -1 0 316.357 3.535 50 0 DHAARM C[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ncc[nH]2)C1 ZINC000048326923 563696462 /nfs/dbraw/zinc/69/64/62/563696462.db2.gz FGBNZXYHHOOLPM-JPQYHBGPSA-N -1 0 319.364 3.779 50 0 DHAARM C[C@@H](Oc1cccc(/C=C2/CCc3ccccc3C2=O)c1)C(=O)[O-] ZINC000096035619 563751523 /nfs/dbraw/zinc/75/15/23/563751523.db2.gz QJOHMQBZTZQHBR-YYTPVVGHSA-N -1 0 322.360 3.751 50 0 DHAARM COc1ccc(C)cc1C(=O)[C@@H]1C[C@@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000245238334 563780465 /nfs/dbraw/zinc/78/04/65/563780465.db2.gz KRNMUMVLRVSPQF-SCRDCRAPSA-N -1 0 304.386 3.569 50 0 DHAARM Fc1cc([S-])c(Br)c(Br)c1F ZINC000263623681 563794617 /nfs/dbraw/zinc/79/46/17/563794617.db2.gz JRHNMRUIZJVDFR-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM Cc1nc2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2o1 ZINC000183364303 563795523 /nfs/dbraw/zinc/79/55/23/563795523.db2.gz GBIBXUMCMZXSCW-UHFFFAOYSA-N -1 0 322.242 3.511 50 0 DHAARM Cc1ccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[n-]2)cc1 ZINC000008721094 563822836 /nfs/dbraw/zinc/82/28/36/563822836.db2.gz HVKASPYRZFKHDA-UHFFFAOYSA-N -1 0 301.349 3.665 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000000298316 563846077 /nfs/dbraw/zinc/84/60/77/563846077.db2.gz GBALWYGHLDPXRV-UWVGGRQHSA-N -1 0 314.168 3.599 50 0 DHAARM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)c1cc(C)cc(C)c1 ZINC000064857750 563894597 /nfs/dbraw/zinc/89/45/97/563894597.db2.gz YMDKFAJMKVKVCE-UHFFFAOYSA-N -1 0 320.392 3.812 50 0 DHAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cccs1 ZINC000007428430 563906366 /nfs/dbraw/zinc/90/63/66/563906366.db2.gz ZIZDDZKMZPZTJM-UHFFFAOYSA-N -1 0 317.819 3.519 50 0 DHAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000007405428 563906224 /nfs/dbraw/zinc/90/62/24/563906224.db2.gz IMIVNZNHMRZOHF-UHFFFAOYSA-N -1 0 321.707 3.558 50 0 DHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cnn(C(C)C)c1 ZINC000252475007 563915610 /nfs/dbraw/zinc/91/56/10/563915610.db2.gz QKFGFIWHLILZIA-UHFFFAOYSA-N -1 0 320.780 3.652 50 0 DHAARM Cc1ccc(/C=C2/Sc3ccc(C(=O)[O-])cc3NC2=O)cc1 ZINC000003030371 563941674 /nfs/dbraw/zinc/94/16/74/563941674.db2.gz PNOBASIBVGLPNB-OVCLIPMQSA-N -1 0 311.362 3.779 50 0 DHAARM O=C([O-])c1ccccc1OCC(=O)Nc1cccc2ccccc21 ZINC000003235058 563942984 /nfs/dbraw/zinc/94/29/84/563942984.db2.gz DAHBYJQNPFMWCL-UHFFFAOYSA-N -1 0 321.332 3.556 50 0 DHAARM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1cccs1 ZINC000007985453 563945899 /nfs/dbraw/zinc/94/58/99/563945899.db2.gz KDADEHPPSROHEZ-UHFFFAOYSA-N -1 0 322.436 3.672 50 0 DHAARM CCOc1ccccc1OCCCOc1ccc(C(=O)[O-])cc1 ZINC000008750322 563950510 /nfs/dbraw/zinc/95/05/10/563950510.db2.gz DAKUQYXKGULQMH-UHFFFAOYSA-N -1 0 316.353 3.631 50 0 DHAARM O=C([O-])c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000002849788 568414240 /nfs/dbraw/zinc/41/42/40/568414240.db2.gz MWDPBQIQRDWTIB-UHFFFAOYSA-N -1 0 321.785 3.769 50 0 DHAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(Cl)c2ccccc21 ZINC000262829610 961896165 /nfs/dbraw/zinc/89/61/65/961896165.db2.gz CBYYWWWEDBMVGW-SNVBAGLBSA-N -1 0 317.772 3.535 50 0 DHAARM Cc1csc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1Cl ZINC000235959624 967769825 /nfs/dbraw/zinc/76/98/25/967769825.db2.gz LOJDLOOZUHMRSM-UHFFFAOYSA-N -1 0 315.822 3.617 50 0 DHAARM CC(C)c1ccc([C@H]2CCCN2C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000630300041 975239196 /nfs/dbraw/zinc/23/91/96/975239196.db2.gz YAIZNIBAUUTQQL-WMLDXEAASA-N -1 0 317.429 3.974 50 0 DHAARM CCC(=O)Nc1ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c1 ZINC000046053495 1023657201 /nfs/dbraw/zinc/65/72/01/1023657201.db2.gz SPGYIYKIZHBPEK-UHFFFAOYSA-N -1 0 320.433 3.852 50 0 DHAARM CCCC(CCC)(CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000686786480 1028881365 /nfs/dbraw/zinc/88/13/65/1028881365.db2.gz ZWLXBSNVXHIHMV-UHFFFAOYSA-N -1 0 307.390 3.727 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000398701 1037849260 /nfs/dbraw/zinc/84/92/60/1037849260.db2.gz YRHPZOHJQBKKAC-UWVGGRQHSA-N -1 0 314.168 3.599 50 0 DHAARM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F ZINC000254834054 1038162096 /nfs/dbraw/zinc/16/20/96/1038162096.db2.gz RZANSHZRRHMYNH-UHFFFAOYSA-N -1 0 320.295 3.822 50 0 DHAARM COc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)c1 ZINC000082097270 192354818 /nfs/dbraw/zinc/35/48/18/192354818.db2.gz VWYCKNBZTZIJTO-LCYFTJDESA-N -1 0 309.321 3.852 50 0 DHAARM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)n1C1CC1 ZINC000097018376 185397772 /nfs/dbraw/zinc/39/77/72/185397772.db2.gz GFSIXTNNKFWGLD-UHFFFAOYSA-N -1 0 312.369 3.699 50 0 DHAARM COc1ccc([C@H](C)c2ccccc2)cc1C(=O)CCC(=O)[O-] ZINC000071770762 191030148 /nfs/dbraw/zinc/03/01/48/191030148.db2.gz MVSXBEHXWIMCBV-CYBMUJFWSA-N -1 0 312.365 3.895 50 0 DHAARM Cc1ccc(C(=O)[O-])c(C(=O)Nc2nc3ccccc3s2)c1 ZINC000000053228 180679398 /nfs/dbraw/zinc/67/93/98/180679398.db2.gz SPAPZNDSAFQDPD-UHFFFAOYSA-N -1 0 312.350 3.555 50 0 DHAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC000072414230 191155401 /nfs/dbraw/zinc/15/54/01/191155401.db2.gz VSILXCHFLKNLHZ-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000000191391 180720423 /nfs/dbraw/zinc/72/04/23/180720423.db2.gz IENKBVGYKUVPPX-IUCAKERBSA-N -1 0 314.168 3.599 50 0 DHAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc2cccnc21 ZINC000000423476 180784457 /nfs/dbraw/zinc/78/44/57/180784457.db2.gz IDPGVJRVFCBNKY-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM Cc1ccc(C(=O)CCCCCC(=O)[O-])cc1Br ZINC000002518012 180931287 /nfs/dbraw/zinc/93/12/87/180931287.db2.gz WNACFNCYKMKAKX-UHFFFAOYSA-N -1 0 313.191 3.975 50 0 DHAARM Cc1[nH]c2ccccc2c1[C@@H](CC(=O)c1ccccc1)C(=O)[O-] ZINC000003135617 180984951 /nfs/dbraw/zinc/98/49/51/180984951.db2.gz JJNKYPAILBWIEK-OAHLLOKOSA-N -1 0 307.349 3.918 50 0 DHAARM O=C(c1cc(Cl)c([O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC000003378240 181012785 /nfs/dbraw/zinc/01/27/85/181012785.db2.gz MXXPAZQXSKOEHC-UHFFFAOYSA-N -1 0 322.191 3.898 50 0 DHAARM CCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[O-])cc1 ZINC000003338730 181008630 /nfs/dbraw/zinc/00/86/30/181008630.db2.gz XKRFGOOKLGMVJN-UHFFFAOYSA-N -1 0 306.365 3.859 50 0 DHAARM COc1c(F)c(F)c(C(=O)[O-])c(Nc2ccc(C)cc2)c1F ZINC000003651454 181043472 /nfs/dbraw/zinc/04/34/72/181043472.db2.gz VQCJXPKDVQEPEC-UHFFFAOYSA-N -1 0 311.259 3.863 50 0 DHAARM Cc1nn2c(nc(C(=O)[O-])cc2C(C)(C)C)c1-c1ccccc1 ZINC000003883104 181052277 /nfs/dbraw/zinc/05/22/77/181052277.db2.gz YXFLGSIULFLCCX-UHFFFAOYSA-N -1 0 309.369 3.700 50 0 DHAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003907375 181055563 /nfs/dbraw/zinc/05/55/63/181055563.db2.gz ULYAALHBZOJTTJ-UHFFFAOYSA-N -1 0 301.820 3.765 50 0 DHAARM CCOC(=O)c1csc([N-]c2nc3c(cccc3F)s2)n1 ZINC000004137677 181078029 /nfs/dbraw/zinc/07/80/29/181078029.db2.gz SRFNQQKLLVWOQN-UHFFFAOYSA-N -1 0 323.374 3.812 50 0 DHAARM O=C([O-])[C@@H]1CC(c2ccc(F)cc2)=Nc2ccccc2S1 ZINC000004137241 181078167 /nfs/dbraw/zinc/07/81/67/181078167.db2.gz HYRNGOMMJVNASV-HNNXBMFYSA-N -1 0 301.342 3.896 50 0 DHAARM Cc1ccc(Cn2cc(C(=O)[O-])c(-c3ccc(C)cc3)n2)cc1 ZINC000004207426 181085611 /nfs/dbraw/zinc/08/56/11/181085611.db2.gz NISVQGJFHYVQSN-UHFFFAOYSA-N -1 0 306.365 3.913 50 0 DHAARM O=C([O-])c1ccc(Nc2ncnc3c4ccccc4oc32)cc1 ZINC000004413331 181108047 /nfs/dbraw/zinc/10/80/47/181108047.db2.gz WOJHMSPHVQBEBX-UHFFFAOYSA-N -1 0 305.293 3.818 50 0 DHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000004695767 181137813 /nfs/dbraw/zinc/13/78/13/181137813.db2.gz AUEZNYXHUWXTKO-UHFFFAOYSA-N -1 0 324.163 3.873 50 0 DHAARM O=S(=O)(C=C([O-])c1cccs1)c1ccc2ccccc2c1 ZINC000004740837 181145415 /nfs/dbraw/zinc/14/54/15/181145415.db2.gz NORYLPHDZJBQCU-UHFFFAOYSA-N -1 0 316.403 3.558 50 0 DHAARM Cc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1C ZINC000004902182 181170103 /nfs/dbraw/zinc/17/01/03/181170103.db2.gz BLAIRZLICJJZPO-HOTGVXAUSA-N -1 0 301.386 3.689 50 0 DHAARM CCCCC[C@H](O)CCc1n[n-]c(=S)n1-c1ccccc1 ZINC000005694841 181273747 /nfs/dbraw/zinc/27/37/47/181273747.db2.gz IEPRCHPDOUOCOF-AWEZNQCLSA-N -1 0 305.447 3.804 50 0 DHAARM Cc1c2ccccc2oc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237584355 202292663 /nfs/dbraw/zinc/29/26/63/202292663.db2.gz VQGLCRAPIHMTMG-UHFFFAOYSA-N -1 0 309.321 3.621 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006328635 181330338 /nfs/dbraw/zinc/33/03/38/181330338.db2.gz NYNHZOFZAMITQY-RYUDHWBXSA-N -1 0 314.168 3.599 50 0 DHAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000006706537 181375137 /nfs/dbraw/zinc/37/51/37/181375137.db2.gz YHJFEDYTGPUFPP-CYBMUJFWSA-N -1 0 304.415 3.704 50 0 DHAARM CCOc1cc(Cl)ccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000008187652 181533717 /nfs/dbraw/zinc/53/37/17/181533717.db2.gz DLFSGRINTIQFGG-UHFFFAOYSA-N -1 0 319.744 3.689 50 0 DHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000008718240 181578099 /nfs/dbraw/zinc/57/80/99/181578099.db2.gz SGQMIBXZTUWISP-UHFFFAOYSA-N -1 0 323.270 3.964 50 0 DHAARM C[C@](CC(=O)Nc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000008993888 181595860 /nfs/dbraw/zinc/59/58/60/181595860.db2.gz YFFFIHYOACZTBV-QGZVFWFLSA-N -1 0 317.772 3.711 50 0 DHAARM COc1ccc(C(C)=O)cc1CSc1ccccc1C(=O)[O-] ZINC000012976506 181817282 /nfs/dbraw/zinc/81/72/82/181817282.db2.gz PEAOWBJTKYFXQE-UHFFFAOYSA-N -1 0 316.378 3.888 50 0 DHAARM O=c1cc(-c2ccccc2)[n-]n1-c1cccc(C(F)(F)F)c1 ZINC000016478019 182046883 /nfs/dbraw/zinc/04/68/83/182046883.db2.gz FKJVRXKEYBBHHR-UHFFFAOYSA-N -1 0 304.271 3.851 50 0 DHAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1cccs1)CCC3 ZINC000017055508 182072936 /nfs/dbraw/zinc/07/29/36/182072936.db2.gz MNFWUYKVSRTJQM-UHFFFAOYSA-N -1 0 320.464 3.719 50 0 DHAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc(F)cc3)c12 ZINC000020328324 182208571 /nfs/dbraw/zinc/20/85/71/182208571.db2.gz PCNMAFAGYQATHH-UHFFFAOYSA-N -1 0 303.318 3.581 50 0 DHAARM Cc1ccc(NC(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000021504993 182275860 /nfs/dbraw/zinc/27/58/60/182275860.db2.gz XULRKAYFPGGBER-UHFFFAOYSA-N -1 0 307.708 3.738 50 0 DHAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1Cc1ccccc1 ZINC000105413584 194103052 /nfs/dbraw/zinc/10/30/52/194103052.db2.gz FVFBHXQDUDBMHJ-CQSZACIVSA-N -1 0 321.405 3.878 50 0 DHAARM CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCCC2 ZINC000062715965 184250879 /nfs/dbraw/zinc/25/08/79/184250879.db2.gz DDBQDAAACTYCSA-CZUORRHYSA-N -1 0 315.413 3.812 50 0 DHAARM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000064588701 184300913 /nfs/dbraw/zinc/30/09/13/184300913.db2.gz DVYHHZFWWMAOCU-UHFFFAOYSA-N -1 0 324.380 3.546 50 0 DHAARM CCOC(=O)N=c1[n-]nc(SCc2cccc(F)c2)s1 ZINC000065589808 184369180 /nfs/dbraw/zinc/36/91/80/184369180.db2.gz PZKFABHSVSHNAK-UHFFFAOYSA-N -1 0 313.379 3.538 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000129780 257266437 /nfs/dbraw/zinc/26/64/37/257266437.db2.gz OJRBXIASDCEFTM-VXGBXAGGSA-N -1 0 315.291 3.535 50 0 DHAARM CN(C)c1cc(C(F)(F)F)cc(-c2ccccc2C(=O)[O-])n1 ZINC000071873575 184880105 /nfs/dbraw/zinc/88/01/05/184880105.db2.gz NUIWPSFHKQTWEJ-UHFFFAOYSA-N -1 0 310.275 3.532 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1 ZINC000024970180 425800033 /nfs/dbraw/zinc/80/00/33/425800033.db2.gz UIPUFNXNTXMINV-UHFFFAOYSA-N -1 0 310.444 3.550 50 0 DHAARM O=C([O-])c1ccc(CC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000263363755 337626890 /nfs/dbraw/zinc/62/68/90/337626890.db2.gz VHWPZFZCDKMQKN-IBGZPJMESA-N -1 0 323.392 3.585 50 0 DHAARM O=C([O-])c1c2c(sc1NC(=O)c1ccco1)CCCCC2 ZINC000000172985 563227206 /nfs/dbraw/zinc/22/72/06/563227206.db2.gz FFVSSFPXQSZDGU-UHFFFAOYSA-N -1 0 305.355 3.561 50 0 DHAARM Cc1oc2ccc(OCC(=O)c3ccccc3)cc2c1C(=O)[O-] ZINC000000096584 563216414 /nfs/dbraw/zinc/21/64/14/563216414.db2.gz WFGPKABEQFCQKB-UHFFFAOYSA-N -1 0 310.305 3.701 50 0 DHAARM O=C([O-])CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000000132287 563221810 /nfs/dbraw/zinc/22/18/10/563221810.db2.gz CLMDSUMBQJGJOH-UHFFFAOYSA-N -1 0 302.380 3.535 50 0 DHAARM Cc1ccc(-c2csc3ncnc(SCC(=O)[O-])c23)cc1 ZINC000000186234 563229228 /nfs/dbraw/zinc/22/92/28/563229228.db2.gz GTVPGDGHQCDZLA-UHFFFAOYSA-N -1 0 316.407 3.843 50 0 DHAARM C[C@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1 ZINC000000217554 563231589 /nfs/dbraw/zinc/23/15/89/563231589.db2.gz LUZOPIUNJBJASD-WBMJQRKESA-N -1 0 315.344 3.659 50 0 DHAARM O=C([O-])c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000000310029 563238907 /nfs/dbraw/zinc/23/89/07/563238907.db2.gz ZAMQJLOHAQCWBZ-UHFFFAOYSA-N -1 0 305.333 3.719 50 0 DHAARM O=C([O-])c1ccc(NCc2cccc(Br)c2)cc1 ZINC000000359867 563244121 /nfs/dbraw/zinc/24/41/21/563244121.db2.gz AXQVARVJGFLCSX-UHFFFAOYSA-N -1 0 306.159 3.759 50 0 DHAARM COc1ccc(COc2ccc(CC(=O)[O-])cc2C)cc1Cl ZINC000000392271 563249937 /nfs/dbraw/zinc/24/99/37/563249937.db2.gz ZUHAEMKLWUYJJJ-UHFFFAOYSA-N -1 0 320.772 3.863 50 0 DHAARM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000000407950 563252155 /nfs/dbraw/zinc/25/21/55/563252155.db2.gz FKQNWHYGFNYEFR-UHFFFAOYSA-N -1 0 313.378 3.655 50 0 DHAARM Cc1ccc(N[C@H](CC(=O)c2ccccc2)C(=O)[O-])cc1Cl ZINC000000521051 563264355 /nfs/dbraw/zinc/26/43/55/563264355.db2.gz CWDARYKLTKILHM-OAHLLOKOSA-N -1 0 317.772 3.787 50 0 DHAARM O=C([O-])c1cc(Br)cc(Br)c1Cl ZINC000001732300 563293969 /nfs/dbraw/zinc/29/39/69/563293969.db2.gz AXIYETPARSBPQM-UHFFFAOYSA-N -1 0 314.360 3.563 50 0 DHAARM O=C([O-])c1ccc(-c2ccc(OCCCCCO)cc2)c(F)c1 ZINC000002383811 563302704 /nfs/dbraw/zinc/30/27/04/563302704.db2.gz OYTPKZRAPXFUOV-UHFFFAOYSA-N -1 0 318.344 3.732 50 0 DHAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000002583471 563310678 /nfs/dbraw/zinc/31/06/78/563310678.db2.gz KJSGAMITXFBSOT-SNVBAGLBSA-N -1 0 320.172 3.644 50 0 DHAARM Cc1ccc(-c2nc(-c3ccccn3)sc2CC(=O)[O-])cc1 ZINC000002654628 563310837 /nfs/dbraw/zinc/31/08/37/563310837.db2.gz WFBZZYNOMFNULR-UHFFFAOYSA-N -1 0 310.378 3.808 50 0 DHAARM CCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000002797290 563342485 /nfs/dbraw/zinc/34/24/85/563342485.db2.gz HRFBCRAAFBIOTO-CVEARBPZSA-N -1 0 301.386 3.635 50 0 DHAARM CCSc1nn2c([n-]1)nc(-c1cccc3ccccc31)cc2=O ZINC000008738960 563349958 /nfs/dbraw/zinc/34/99/58/563349958.db2.gz ILLDFFRHKSHUGK-UHFFFAOYSA-N -1 0 322.393 3.762 50 0 DHAARM O=C([O-])[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000011801497 563359346 /nfs/dbraw/zinc/35/93/46/563359346.db2.gz JOQPWSHPJXCJDX-CYBMUJFWSA-N -1 0 307.143 3.654 50 0 DHAARM O=P([O-])([O-])C1([NH2+]C[C@H]2CCCc3ccccc32)CCCCC1 ZINC000012997484 563376795 /nfs/dbraw/zinc/37/67/95/563376795.db2.gz QSZQQARKYYRCCS-OAHLLOKOSA-N -1 0 323.373 3.534 50 0 DHAARM CCCCCCSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000013957284 563393174 /nfs/dbraw/zinc/39/31/74/563393174.db2.gz TXQYVDVKJLHBIE-UHFFFAOYSA-N -1 0 304.415 3.611 50 0 DHAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000014255892 563399799 /nfs/dbraw/zinc/39/97/99/563399799.db2.gz GYAWCZYPMLXFDU-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM CCOc1c(CNc2cccc(C(=O)[O-])c2C)cccc1OC ZINC000014988402 563404512 /nfs/dbraw/zinc/40/45/12/563404512.db2.gz MSPWKEVKXRBTNQ-UHFFFAOYSA-N -1 0 315.369 3.713 50 0 DHAARM Cc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000035360456 563452605 /nfs/dbraw/zinc/45/26/05/563452605.db2.gz YDXXSZYRMKTPCP-JCGIZDLHSA-N -1 0 309.365 3.938 50 0 DHAARM O=S(=O)([O-])c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000036294293 563454912 /nfs/dbraw/zinc/45/49/12/563454912.db2.gz GWMRLFRGHXTQIG-UHFFFAOYSA-N -1 0 302.273 3.619 50 0 DHAARM Cc1ccc(S[C@@H](CC(=O)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000000043121 563509268 /nfs/dbraw/zinc/50/92/68/563509268.db2.gz ZDELAXGOJWRTKD-INIZCTEOSA-N -1 0 318.369 3.952 50 0 DHAARM CCC(CC)(CC(=O)Nc1ccc2nc(C)sc2c1)C(=O)[O-] ZINC000011256412 563514772 /nfs/dbraw/zinc/51/47/72/563514772.db2.gz FPNFVRHCJXLHRW-UHFFFAOYSA-N -1 0 320.414 3.824 50 0 DHAARM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(C(C)(C)C)cc2)on1 ZINC000095375007 563530134 /nfs/dbraw/zinc/53/01/34/563530134.db2.gz XWNBUXCUMFEEAV-MRXNPFEDSA-N -1 0 316.401 3.538 50 0 DHAARM C[C@H](c1ccon1)N(C)Cc1c(Cl)ccc([O-])c1Cl ZINC000097797299 563542599 /nfs/dbraw/zinc/54/25/99/563542599.db2.gz ZAHCJRCAGADAPU-MRVPVSSYSA-N -1 0 301.173 3.880 50 0 DHAARM C[C@@H](c1ccon1)N(C)Cc1c(Cl)ccc([O-])c1Cl ZINC000097797298 563542774 /nfs/dbraw/zinc/54/27/74/563542774.db2.gz ZAHCJRCAGADAPU-QMMMGPOBSA-N -1 0 301.173 3.880 50 0 DHAARM COc1ccc(-c2cc(=O)n(-c3nc4ccccc4s3)[n-]2)cc1 ZINC000100129745 563546497 /nfs/dbraw/zinc/54/64/97/563546497.db2.gz CPDFQJXTSQLPSB-UHFFFAOYSA-N -1 0 323.377 3.863 50 0 DHAARM CC1(C)CC(=O)c2cnc([N-]c3nc4ccccc4s3)nc2C1 ZINC000000100024 563558126 /nfs/dbraw/zinc/55/81/26/563558126.db2.gz QYYHDZHLLYBVEX-UHFFFAOYSA-N -1 0 324.409 3.985 50 0 DHAARM C[C@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2Cc2ccccc21 ZINC000000209310 563577990 /nfs/dbraw/zinc/57/79/90/563577990.db2.gz KGUJICJKGOBPND-MEDUHNTESA-N -1 0 307.349 3.589 50 0 DHAARM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)s1 ZINC000000117906 563580048 /nfs/dbraw/zinc/58/00/48/563580048.db2.gz MVYKXJXFTFFIJF-UHFFFAOYSA-N -1 0 301.820 3.819 50 0 DHAARM O=C([O-])c1ccc(NC(=O)c2csc(C3CC3)n2)cc1Cl ZINC000136715866 563611031 /nfs/dbraw/zinc/61/10/31/563611031.db2.gz GULPQDWTSBRDHM-UHFFFAOYSA-N -1 0 322.773 3.624 50 0 DHAARM Cc1c2ccccc2oc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013224616 563613745 /nfs/dbraw/zinc/61/37/45/563613745.db2.gz YPFHRFVADHJMIV-OAHLLOKOSA-N -1 0 323.348 3.687 50 0 DHAARM Cc1c(NC(=O)CSCc2ccccc2)cccc1C(=O)[O-] ZINC000000616108 563631822 /nfs/dbraw/zinc/63/18/22/563631822.db2.gz QRWOVHBLLZHJHV-UHFFFAOYSA-N -1 0 315.394 3.565 50 0 DHAARM O=C([O-])c1cccc(NC(=O)c2ccccc2SC(F)F)c1 ZINC000013094855 563655592 /nfs/dbraw/zinc/65/55/92/563655592.db2.gz UAQYSZOBZADHFX-UHFFFAOYSA-N -1 0 323.320 3.952 50 0 DHAARM O=C(Nc1ccc(OC(F)F)cc1)c1c([O-])cccc1Cl ZINC000048355538 563697647 /nfs/dbraw/zinc/69/76/47/563697647.db2.gz OATCJFPVXYHSMV-UHFFFAOYSA-N -1 0 313.687 3.899 50 0 DHAARM Cc1cc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(C)cc1-2 ZINC000000817732 563720559 /nfs/dbraw/zinc/72/05/59/563720559.db2.gz XJBOKBKHRBFSSY-SFHVURJKSA-N -1 0 319.364 3.838 50 0 DHAARM Cc1[n-]n2c(nc(C)c(Cl)c2=O)c1-c1cccc(Cl)c1 ZINC000101645717 563842983 /nfs/dbraw/zinc/84/29/83/563842983.db2.gz CPIQNYROHMLJBV-UHFFFAOYSA-N -1 0 308.168 3.613 50 0 DHAARM O=C([O-])c1ccc(NN=C2CCCOc3ccc(F)cc32)cc1 ZINC000252474374 563885719 /nfs/dbraw/zinc/88/57/19/563885719.db2.gz BZWCGTHHVXBKRG-UHFFFAOYSA-N -1 0 314.316 3.513 50 0 DHAARM Cc1c(C)c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2oc1=O ZINC000000403694 563886664 /nfs/dbraw/zinc/88/66/64/563886664.db2.gz JLRVZPQTERQQAA-UHFFFAOYSA-N -1 0 324.332 3.687 50 0 biogenic DHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000007056381 563901956 /nfs/dbraw/zinc/90/19/56/563901956.db2.gz OCSXKDKWNHLWIO-UHFFFAOYSA-N -1 0 313.781 3.897 50 0 DHAARM O=C(Nc1ccccc1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000170091688 563903666 /nfs/dbraw/zinc/90/36/66/563903666.db2.gz LHRKAOBAIVCRTH-QGZVFWFLSA-N -1 0 320.348 3.787 50 0 DHAARM CCCC[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1OC ZINC000002213931 563919150 /nfs/dbraw/zinc/91/91/50/563919150.db2.gz MEVOPXDUXCKJAO-STQMWFEESA-N -1 0 307.390 3.551 50 0 DHAARM O=C1N2c3c(cccc3Sc3ccccc32)[C@]1(O)C(F)(F)F ZINC000002349752 563926303 /nfs/dbraw/zinc/92/63/03/563926303.db2.gz VXAPLOXEECSETK-CQSZACIVSA-N -1 0 323.295 3.579 50 0 DHAARM O=C([O-])c1cccc(C(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC000225482988 563928622 /nfs/dbraw/zinc/92/86/22/563928622.db2.gz JZGVHVHLWZLWPT-UHFFFAOYSA-N -1 0 323.270 3.742 50 0 DHAARM CCOc1cc(NC(=O)CC(CC)(CC)C(=O)[O-])ccc1C ZINC000066965940 563948327 /nfs/dbraw/zinc/94/83/27/563948327.db2.gz JNJJLWIRLNKTKF-UHFFFAOYSA-N -1 0 307.390 3.613 50 0 DHAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1C(F)(F)F ZINC000008724677 563950225 /nfs/dbraw/zinc/95/02/25/563950225.db2.gz FXHXSGLQLDHFTR-UHFFFAOYSA-N -1 0 321.345 3.876 50 0 DHAARM CC[C@H](C)Oc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000009270003 563954636 /nfs/dbraw/zinc/95/46/36/563954636.db2.gz DCUPDPBOZCBVDX-MAZHCROVSA-N -1 0 319.401 3.693 50 0 DHAARM O=C([O-])CC/C(=C/c1csnn1)c1nc2ccccc2s1 ZINC000071850120 563959162 /nfs/dbraw/zinc/95/91/62/563959162.db2.gz PPGSGMLOTZVOOT-CLFYSBASSA-N -1 0 317.395 3.553 50 0 DHAARM O=C([O-])c1ccc(C=NNc2ccccc2C(F)(F)F)cc1 ZINC000254620795 961320756 /nfs/dbraw/zinc/32/07/56/961320756.db2.gz XWSSLONBCXRLMN-UHFFFAOYSA-N -1 0 308.259 3.850 50 0 DHAARM COCc1csc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)c1 ZINC000656612680 1014943390 /nfs/dbraw/zinc/94/33/90/1014943390.db2.gz JIZPRRUOTIUCIZ-SNAWJCMRSA-N -1 0 318.398 3.677 50 0 DHAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1 ZINC000035142164 1015441079 /nfs/dbraw/zinc/44/10/79/1015441079.db2.gz XYBKFVXSGNRBEL-YOEHRIQHSA-N -1 0 311.381 3.828 50 0 DHAARM Cc1ccc(NN=Cc2ccccc2OCC(=O)[O-])cc1Cl ZINC000254721101 1024016837 /nfs/dbraw/zinc/01/68/37/1024016837.db2.gz AYTVRNQKPGLPQD-UHFFFAOYSA-N -1 0 318.760 3.558 50 0 DHAARM O=C([O-])c1c(Cl)cccc1NC(=O)CCc1ccccc1 ZINC000111277685 1034845849 /nfs/dbraw/zinc/84/58/49/1034845849.db2.gz FRDDGGFVMOMBOB-UHFFFAOYSA-N -1 0 303.745 3.610 50 0 DHAARM O=C([O-])c1cccc(NN=Cc2ccccc2C(F)(F)F)c1 ZINC000254383618 1037151580 /nfs/dbraw/zinc/15/15/80/1037151580.db2.gz YSEZIMWLWQIMMK-UHFFFAOYSA-N -1 0 308.259 3.850 50 0 DHAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CCc1ccccc1 ZINC000000094183 190611080 /nfs/dbraw/zinc/61/10/80/190611080.db2.gz VLMYPKZXHPYVDI-UHFFFAOYSA-N -1 0 303.745 3.610 50 0 DHAARM CC(C)c1nc([C@H](C)NC(=O)c2ccc(C(=O)[O-])s2)cs1 ZINC000097017759 185397822 /nfs/dbraw/zinc/39/78/22/185397822.db2.gz RMXOZNFWZBINAE-QMMMGPOBSA-N -1 0 324.427 3.517 50 0 DHAARM O=C([O-])CCc1ccc(NC(=O)c2cccc(F)c2Cl)cc1 ZINC000097018917 185398081 /nfs/dbraw/zinc/39/80/81/185398081.db2.gz JJHXSCJAALRYQB-UHFFFAOYSA-N -1 0 321.735 3.749 50 0 DHAARM Cc1cc(C)cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)c1 ZINC000072161758 191061892 /nfs/dbraw/zinc/06/18/92/191061892.db2.gz RKBCBNKRKYKIAH-OAHLLOKOSA-N -1 0 323.392 3.631 50 0 DHAARM CC(=O)Nc1ccc(-c2cc(C(=O)[O-])c3ccc(C)cc3n2)cc1 ZINC000000099166 180691673 /nfs/dbraw/zinc/69/16/73/180691673.db2.gz BFULJIYHWJLHDO-UHFFFAOYSA-N -1 0 320.348 3.867 50 0 DHAARM CCCCOC(=O)N=c1[n-]nc(CCc2ccccc2)s1 ZINC000002903755 180968971 /nfs/dbraw/zinc/96/89/71/180968971.db2.gz SRHFDBQPTVZCCZ-UHFFFAOYSA-N -1 0 305.403 3.672 50 0 DHAARM Nc1nc(/C=C/c2ccc(Cl)cc2)nc(-c2ccccc2[O-])n1 ZINC000003906351 181056039 /nfs/dbraw/zinc/05/60/39/181056039.db2.gz MNFWXDKWNGAYCP-JXMROGBWSA-N -1 0 324.771 3.650 50 0 DHAARM O=C([O-])c1ccc(CNCc2c(Cl)cccc2Cl)cc1 ZINC000004657687 181132621 /nfs/dbraw/zinc/13/26/21/181132621.db2.gz BJVWLUVRXBXCOG-UHFFFAOYSA-N -1 0 310.180 3.981 50 0 DHAARM Cc1cc(Cl)ccc1NC(=O)Nc1ccccc1C(=O)[O-] ZINC000004776737 181151244 /nfs/dbraw/zinc/15/12/44/181151244.db2.gz IFBJKVGYPLBPIL-UHFFFAOYSA-N -1 0 304.733 3.991 50 0 DHAARM O=C(/C=C/c1ccccc1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000004888903 181168774 /nfs/dbraw/zinc/16/87/74/181168774.db2.gz YBAABLZLODMXCY-MDZDMXLPSA-N -1 0 313.378 3.587 50 0 DHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000005068265 181200387 /nfs/dbraw/zinc/20/03/87/181200387.db2.gz CRXZHMYAAZPGDR-UHFFFAOYSA-N -1 0 323.439 3.526 50 0 DHAARM C[P@@](=O)([O-])O[C@@H](c1ccccc1)C(F)(F)C(F)(F)F ZINC000005257434 181222981 /nfs/dbraw/zinc/22/29/81/181222981.db2.gz FOPZPMOSTHLVET-QMMMGPOBSA-N -1 0 304.151 3.757 50 0 DHAARM O=c1c2cc(Cl)ccc2nc(-c2cccc(Cl)c2)n1[O-] ZINC000005428288 181242426 /nfs/dbraw/zinc/24/24/26/181242426.db2.gz QVMJIDQCCLHTHA-UHFFFAOYSA-N -1 0 307.136 3.608 50 0 DHAARM Cc1ccc2c(c1)-c1ncc(C(=O)c3ccccc3[O-])cc1CO2 ZINC000005747413 181280213 /nfs/dbraw/zinc/28/02/13/181280213.db2.gz PUCPSMAVBIFPCU-UHFFFAOYSA-N -1 0 317.344 3.886 50 0 DHAARM CCC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000005768082 181282406 /nfs/dbraw/zinc/28/24/06/181282406.db2.gz RASSCOORIKAIIR-INIZCTEOSA-N -1 0 322.360 4.000 50 0 biogenic DHAARM CCOc1ccc(-n2c(Cc3ccccc3)n[n-]c2=S)cc1 ZINC000005781697 181283569 /nfs/dbraw/zinc/28/35/69/181283569.db2.gz JLHGCWSCKHHSEX-UHFFFAOYSA-N -1 0 311.410 3.919 50 0 DHAARM CCc1cccc(CC)c1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005909005 181294876 /nfs/dbraw/zinc/29/48/76/181294876.db2.gz YCBDARFIOKMGMT-CABCVRRESA-N -1 0 303.402 3.641 50 0 DHAARM C[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1cccc(F)c1 ZINC000237521646 202269788 /nfs/dbraw/zinc/26/97/88/202269788.db2.gz XQKMFBMIWPVZBQ-CZUORRHYSA-N -1 0 321.392 3.565 50 0 DHAARM Cc1[nH]nc2ncc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cc12 ZINC000006314913 181329032 /nfs/dbraw/zinc/32/90/32/181329032.db2.gz VOXLBUWOUKPRSZ-UHFFFAOYSA-N -1 0 322.151 3.510 50 0 aggregator DHAARM CCc1ccccc1NC(=O)Nc1c([O-])c2ccccc2oc1=O ZINC000006743379 181381292 /nfs/dbraw/zinc/38/12/92/181381292.db2.gz VPMROGURPWRQAE-UHFFFAOYSA-N -1 0 324.336 3.705 50 0 DHAARM C[Si](C)(C)c1c(F)c(-c2ccccc2)ccc1CC(=O)[O-] ZINC000219793630 201563775 /nfs/dbraw/zinc/56/37/75/201563775.db2.gz WDMGSYCUSALMAI-UHFFFAOYSA-N -1 0 302.421 3.665 50 0 DHAARM C[C@@H]1CCc2c(C(=O)Nc3ccccc3C(=O)[O-])csc2C1 ZINC000011689778 181699214 /nfs/dbraw/zinc/69/92/14/181699214.db2.gz DDRZFSOXBRPLMC-SNVBAGLBSA-N -1 0 315.394 3.823 50 0 DHAARM O=S(=O)([N-]c1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000016101082 182034155 /nfs/dbraw/zinc/03/41/55/182034155.db2.gz IJTCORUMSISNED-UHFFFAOYSA-N -1 0 320.172 3.933 50 0 DHAARM Cc1nc2c(-c3ccccc3)c[n-]n2c(=O)c1Cc1ccccc1 ZINC000018205632 182098773 /nfs/dbraw/zinc/09/87/73/182098773.db2.gz ZEQPODMTCXPISV-UHFFFAOYSA-N -1 0 315.376 3.589 50 0 DHAARM Cc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000020284995 182203406 /nfs/dbraw/zinc/20/34/06/182203406.db2.gz AMQLEVOLXUVLOG-UHFFFAOYSA-N -1 0 304.733 3.991 50 0 DHAARM Cc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000041095691 183164517 /nfs/dbraw/zinc/16/45/17/183164517.db2.gz ICTJMZSXAHWEOW-UHFFFAOYSA-N -1 0 324.833 3.968 50 0 DHAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N(C)CCCC ZINC000064820772 184304041 /nfs/dbraw/zinc/30/40/41/184304041.db2.gz FTVJMMPQOMJCBM-UHFFFAOYSA-N -1 0 306.406 3.750 50 0 DHAARM O=c1cc([O-])c2sc(SCc3ccc(Cl)cc3)nc2[nH]1 ZINC000065365517 184329147 /nfs/dbraw/zinc/32/91/47/184329147.db2.gz ZSPNSVWCTXIADN-UHFFFAOYSA-N -1 0 324.814 3.636 50 0 DHAARM CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000248143706 256609442 /nfs/dbraw/zinc/60/94/42/256609442.db2.gz DCUPDPBOZCBVDX-VBNZEHGJSA-N -1 0 319.401 3.693 50 0 DHAARM CC(C)[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000349547100 335679861 /nfs/dbraw/zinc/67/98/61/335679861.db2.gz ZAQKGKCXJXMHNT-MRXNPFEDSA-N -1 0 303.402 3.573 50 0 DHAARM CCc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)s1 ZINC000000205103 563577895 /nfs/dbraw/zinc/57/78/95/563577895.db2.gz SMIHISGQWGHXLW-UHFFFAOYSA-N -1 0 324.427 3.627 50 0 DHAARM C[C@H](Sc1nc2ccccc2n1Cc1ccccc1)C(=O)[O-] ZINC000000084755 563214574 /nfs/dbraw/zinc/21/45/74/563214574.db2.gz YEYSKECLEWIAQW-LBPRGKRZSA-N -1 0 312.394 3.650 50 0 DHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000101243 563217120 /nfs/dbraw/zinc/21/71/20/563217120.db2.gz OEKWWENFBRJUAM-UHFFFAOYSA-N -1 0 311.790 3.540 50 0 DHAARM Cc1ccc2c(c1)N[C@H](c1ccc(C(=O)[O-])cc1)c1cccn1-2 ZINC000000138129 563222605 /nfs/dbraw/zinc/22/26/05/563222605.db2.gz LYIUGKBSPWTUGL-GOSISDBHSA-N -1 0 304.349 3.999 50 0 in-vitro DHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000000246441 563233426 /nfs/dbraw/zinc/23/34/26/563233426.db2.gz BLXBVIFEGDKVLQ-UHFFFAOYSA-N -1 0 305.399 3.619 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000355040 563243911 /nfs/dbraw/zinc/24/39/11/563243911.db2.gz VUAMWEZSKAOCGZ-UWVGGRQHSA-N -1 0 314.168 3.599 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000000397850 563250588 /nfs/dbraw/zinc/25/05/88/563250588.db2.gz JZMNZEQUBPENTL-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM O=C([O-])CCSc1ncnc2sc(-c3ccccc3)cc21 ZINC000001094886 563277150 /nfs/dbraw/zinc/27/71/50/563277150.db2.gz FSYCCAGLTIXHAB-UHFFFAOYSA-N -1 0 316.407 3.925 50 0 DHAARM Cc1ccc(N2C(=O)CC[C@@H](C(=O)[O-])[C@@H]2c2cccs2)cc1 ZINC000003888166 563325612 /nfs/dbraw/zinc/32/56/12/563325612.db2.gz KIQDHOPFZJKODK-CZUORRHYSA-N -1 0 315.394 3.625 50 0 DHAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000006919556 563335314 /nfs/dbraw/zinc/33/53/14/563335314.db2.gz SYKSLKMZYBJTEA-UHFFFAOYSA-N -1 0 317.410 3.813 50 0 DHAARM CCCCc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000002165663 563335926 /nfs/dbraw/zinc/33/59/26/563335926.db2.gz USMZNCYKXHVHAM-CVEARBPZSA-N -1 0 301.386 3.635 50 0 DHAARM Cc1nc(Nc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000008015520 563343943 /nfs/dbraw/zinc/34/39/43/563343943.db2.gz GDQOFFQRWPDFLP-UHFFFAOYSA-N -1 0 302.277 3.912 50 0 DHAARM O=C([O-])c1c(=O)[nH]c2c3ccccc3oc2c1-c1ccccc1 ZINC000008578792 563348132 /nfs/dbraw/zinc/34/81/32/563348132.db2.gz UDIMHEDOWCIESR-UHFFFAOYSA-N -1 0 305.289 3.640 50 0 DHAARM C[C@H](Oc1ccc(C(C)(C)C)cc1Br)C(=O)[O-] ZINC000011798717 563358781 /nfs/dbraw/zinc/35/87/81/563358781.db2.gz KXIHIHBOOAAHCY-QMMMGPOBSA-N -1 0 301.180 3.599 50 0 DHAARM O=C([O-])c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000012505658 563370796 /nfs/dbraw/zinc/37/07/96/563370796.db2.gz DEZNAYPQPAPVCM-UHFFFAOYSA-N -1 0 324.180 3.608 50 0 DHAARM [O-]c1ccccc1-c1nc2ccccc2c(NC[C@@H]2CCCO2)n1 ZINC000013127597 563379033 /nfs/dbraw/zinc/37/90/33/563379033.db2.gz PHPIKMLQXFBRGD-ZDUSSCGKSA-N -1 0 321.380 3.593 50 0 DHAARM CCc1nn2c(nc(C)c(CCC(=O)[O-])c2C)c1-c1ccccc1 ZINC000013690001 563386372 /nfs/dbraw/zinc/38/63/72/563386372.db2.gz JRSHHNNBGIRMQF-UHFFFAOYSA-N -1 0 323.396 3.593 50 0 DHAARM COc1ccccc1NCc1n[n-]c(=S)n1-c1ccccc1 ZINC000026439442 563425796 /nfs/dbraw/zinc/42/57/96/563425796.db2.gz VUSJCDFWJSBBGQ-UHFFFAOYSA-N -1 0 312.398 3.551 50 0 DHAARM O=C([O-])c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1 ZINC000032920039 563444112 /nfs/dbraw/zinc/44/41/12/563444112.db2.gz AOLKZQABRLRQNP-UHFFFAOYSA-N -1 0 309.300 3.725 50 0 DHAARM COc1ccc(-c2cc(C)nc(-c3ccccc3[O-])n2)c(OC)c1 ZINC000067675789 563488831 /nfs/dbraw/zinc/48/88/31/563488831.db2.gz MOIZUZQBJBOMSX-UHFFFAOYSA-N -1 0 322.364 3.842 50 0 DHAARM CCOc1ccc(-c2ccnc(CCC(C)C)n2)cc1C(=O)[O-] ZINC000071614107 563500727 /nfs/dbraw/zinc/50/07/27/563500727.db2.gz VSUZCXYRPKXYIX-UHFFFAOYSA-N -1 0 314.385 3.829 50 0 DHAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccccc1 ZINC000000064770 563517653 /nfs/dbraw/zinc/51/76/53/563517653.db2.gz JHCNJYPAIOXOJV-UHFFFAOYSA-N -1 0 301.289 3.506 50 0 DHAARM Cc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(C(C)(C)C)cc2)on1 ZINC000095375006 563529964 /nfs/dbraw/zinc/52/99/64/563529964.db2.gz XWNBUXCUMFEEAV-INIZCTEOSA-N -1 0 316.401 3.538 50 0 DHAARM O=C([O-])CC[C@H]1CCCCN1Cc1c(Cl)cncc1Cl ZINC000097480334 563539560 /nfs/dbraw/zinc/53/95/60/563539560.db2.gz LTIZSILIEFXDIK-SNVBAGLBSA-N -1 0 317.216 3.608 50 0 DHAARM O=C([O-])c1nc(-n2cccc2)sc1-c1ccc(Cl)cc1 ZINC000097673680 563541259 /nfs/dbraw/zinc/54/12/59/563541259.db2.gz CLMKRIWJPIXRRG-UHFFFAOYSA-N -1 0 304.758 3.952 50 0 DHAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccco2)cc1 ZINC000000111579 563570187 /nfs/dbraw/zinc/57/01/87/563570187.db2.gz WXRYWWVHGLSKGB-AWEZNQCLSA-N -1 0 315.369 3.523 50 0 DHAARM CCc1ccc(C(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000000240055 563580210 /nfs/dbraw/zinc/58/02/10/563580210.db2.gz PTHNBNXHWCFLHA-UHFFFAOYSA-N -1 0 300.379 3.922 50 0 DHAARM Cc1cc2sc([N-]S(=O)(=O)c3cccs3)nc2c(C)c1 ZINC000008864730 563625430 /nfs/dbraw/zinc/62/54/30/563625430.db2.gz MBOFTLBUKQERHU-UHFFFAOYSA-N -1 0 324.452 3.775 50 0 DHAARM Cc1ccc2nc(-c3ccc4c(c3)OCCO4)cc(C(=O)[O-])c2c1 ZINC000000082454 563628721 /nfs/dbraw/zinc/62/87/21/563628721.db2.gz CPQLGWOPVRFZGJ-UHFFFAOYSA-N -1 0 321.332 3.680 50 0 DHAARM Cc1[nH]c2ccccc2c1[C@H](CC(=O)c1ccccc1)C(=O)[O-] ZINC000000509368 563658630 /nfs/dbraw/zinc/65/86/30/563658630.db2.gz JJNKYPAILBWIEK-HNNXBMFYSA-N -1 0 307.349 3.918 50 0 DHAARM CCCOc1cccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC000002987959 563749844 /nfs/dbraw/zinc/74/98/44/563749844.db2.gz GTAGUKHFBYWJSW-UHFFFAOYSA-N -1 0 313.353 3.734 50 0 DHAARM CC(C)c1ccc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)cc1 ZINC000012414644 563773446 /nfs/dbraw/zinc/77/34/46/563773446.db2.gz XEXSHMCJKXHBDV-UHFFFAOYSA-N -1 0 322.364 3.609 50 0 DHAARM O=C(CSc1nc(=O)c2sccc2[nH]1)c1ccc(F)cc1 ZINC000012915875 563853755 /nfs/dbraw/zinc/85/37/55/563853755.db2.gz HHEDYCCUJLBNEF-UHFFFAOYSA-N -1 0 320.370 3.511 50 0 DHAARM O=C([O-])c1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1F ZINC000570295070 563877769 /nfs/dbraw/zinc/87/77/69/563877769.db2.gz YABCYWUBTJWNHP-GFCCVEGCSA-N -1 0 316.328 3.606 50 0 DHAARM O=c1cc(-c2ccccc2)nc(NN=Cc2ccccc2Cl)[nH]1 ZINC000252635568 563887930 /nfs/dbraw/zinc/88/79/30/563887930.db2.gz WYXMQVUBZWUYKS-UHFFFAOYSA-N -1 0 324.771 3.949 50 0 DHAARM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000007057607 563901831 /nfs/dbraw/zinc/90/18/31/563901831.db2.gz IDRPILLJTYVIQF-SNVBAGLBSA-N -1 0 308.403 3.606 50 0 DHAARM CC(C)[N@@H+](Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000036647496 563902218 /nfs/dbraw/zinc/90/22/18/563902218.db2.gz SMYMOLPKOOSDIO-UHFFFAOYSA-N -1 0 313.426 3.808 50 0 DHAARM Cc1onc(-c2ccc(Br)cc2Cl)c1C(=O)[O-] ZINC000127431108 563912556 /nfs/dbraw/zinc/91/25/56/563912556.db2.gz GNBNFHFAPAGHSH-UHFFFAOYSA-N -1 0 316.538 3.764 50 0 DHAARM CCCCOc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1C ZINC000002147232 563916024 /nfs/dbraw/zinc/91/60/24/563916024.db2.gz CKWSWUQRTABELI-UHFFFAOYSA-N -1 0 318.369 3.606 50 0 biogenic DHAARM O=C([O-])c1ccccc1-n1nc(C(F)(F)F)cc1-c1ccco1 ZINC000137402792 563924321 /nfs/dbraw/zinc/92/43/21/563924321.db2.gz CRPLFPBIJCDHAE-UHFFFAOYSA-N -1 0 322.242 3.849 50 0 DHAARM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000096004316 563934682 /nfs/dbraw/zinc/93/46/82/563934682.db2.gz MCTSHKWZVNOZHG-NSHDSACASA-N -1 0 319.351 3.767 50 0 DHAARM CCCCC(=O)Nc1ccc(N2CCC[C@@H](C)C2)c(C(=O)[O-])c1 ZINC000058064974 563943737 /nfs/dbraw/zinc/94/37/37/563943737.db2.gz LNAJTXMKHHCWLE-CYBMUJFWSA-N -1 0 318.417 3.750 50 0 DHAARM CC(C)c1noc2nc(-c3ccccc3F)cc(C(=O)[O-])c21 ZINC000008394166 563948372 /nfs/dbraw/zinc/94/83/72/563948372.db2.gz PNCHGWSFBQBBPV-UHFFFAOYSA-N -1 0 300.289 3.851 50 0 DHAARM CCSc1nn2c([n-]1)nc(-c1ccc3ccccc3c1)cc2=O ZINC000008769087 563950696 /nfs/dbraw/zinc/95/06/96/563950696.db2.gz NLDDQQGEOKCQAN-UHFFFAOYSA-N -1 0 322.393 3.762 50 0 DHAARM CCOc1ccc(OCCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000002984918 568414276 /nfs/dbraw/zinc/41/42/76/568414276.db2.gz DQDPTTVQIFLBIV-UHFFFAOYSA-N -1 0 316.353 3.631 50 0 DHAARM CC(C)(CC(=O)[O-])CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000190612416 605066040 /nfs/dbraw/zinc/06/60/40/605066040.db2.gz CNOKKUZROZZOOC-UHFFFAOYSA-N -1 0 317.429 3.506 50 0 DHAARM CCO[P@](=O)([O-])[C@H](Oc1ccccc1O)c1ccccc1 ZINC000002479096 1014714578 /nfs/dbraw/zinc/71/45/78/1014714578.db2.gz HUMJAVWEOUTXCZ-HNNXBMFYSA-N -1 0 308.270 3.692 50 0 DHAARM Cc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1ccc(Cl)cc1 ZINC000102672987 1016150439 /nfs/dbraw/zinc/15/04/39/1016150439.db2.gz HWYXBEJXKKDADV-UHFFFAOYSA-N -1 0 313.788 3.943 50 0 DHAARM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000095425047 1032153379 /nfs/dbraw/zinc/15/33/79/1032153379.db2.gz SHUPYDZHCVAAEI-VIIAAUOXSA-N -1 0 319.401 3.564 50 0 DHAARM COc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1C(=O)[O-] ZINC000142907999 1019363822 /nfs/dbraw/zinc/36/38/22/1019363822.db2.gz LWCGOGMUNHRZJT-UHFFFAOYSA-N -1 0 302.717 3.590 50 0 DHAARM Cc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002857956 1021135175 /nfs/dbraw/zinc/13/51/75/1021135175.db2.gz HIGXFGUTYTYDIE-UHFFFAOYSA-N -1 0 304.733 3.991 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000005948049 1024502685 /nfs/dbraw/zinc/50/26/85/1024502685.db2.gz UUULSUUNXGCFDC-QZTJIDSGSA-N -1 0 321.376 3.959 50 0 DHAARM C[C@@H]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)CC12CCCCC2 ZINC000262869204 1024650066 /nfs/dbraw/zinc/65/00/66/1024650066.db2.gz CNNVNRLSSDBIBL-QQFBHYJXSA-N -1 0 321.461 3.696 50 0 DHAARM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccccc1Cl ZINC000006919740 1035008752 /nfs/dbraw/zinc/00/87/52/1035008752.db2.gz FWSFQOCNGCQFLS-UHFFFAOYSA-N -1 0 307.802 3.630 50 0 DHAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000000386835 180774743 /nfs/dbraw/zinc/77/47/43/180774743.db2.gz LIXPZIQONOIOAF-GFCCVEGCSA-N -1 0 303.745 3.537 50 0 DHAARM O=C([O-])c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000000425509 180786046 /nfs/dbraw/zinc/78/60/46/180786046.db2.gz XBVKXOKUZZSJQC-UHFFFAOYSA-N -1 0 311.366 3.603 50 0 DHAARM O=C([O-])[C@H]1CC[C@@H](CC(=O)c2ccccc2Br)C1 ZINC000002378348 180921758 /nfs/dbraw/zinc/92/17/58/180921758.db2.gz IZQLUQUCUBIXLN-ZJUUUORDSA-N -1 0 311.175 3.523 50 0 DHAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003188073 180989883 /nfs/dbraw/zinc/98/98/83/180989883.db2.gz AYWXEYLKLHHKTH-DHZHZOJOSA-N -1 0 308.312 3.776 50 0 DHAARM O=C([O-])C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1C(F)(F)F ZINC000003975277 181059728 /nfs/dbraw/zinc/05/97/28/181059728.db2.gz ZFKBWSREWJOSSJ-VIFPVBQESA-N -1 0 313.058 3.785 50 0 in-vitro DHAARM [O-]C(=Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1O ZINC000004099930 181073350 /nfs/dbraw/zinc/07/33/50/181073350.db2.gz GVJHRCZICVDTEN-UHFFFAOYSA-N -1 0 302.198 3.513 50 0 DHAARM Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000004593194 181128175 /nfs/dbraw/zinc/12/81/75/181128175.db2.gz OPKNYDLGUJOAID-UHFFFAOYSA-N -1 0 313.353 3.899 50 0 DHAARM Cc1c(Cl)cccc1NC(=O)[C@H]1CC(C)=CC[C@H]1C(=O)[O-] ZINC000004662585 181133510 /nfs/dbraw/zinc/13/35/10/181133510.db2.gz LRUGNWKDBAYQGL-NEPJUHHUSA-N -1 0 307.777 3.644 50 0 DHAARM Cc1c(Cl)cccc1NC(=O)[C@H]1CC(C)=CC[C@@H]1C(=O)[O-] ZINC000004662583 181133677 /nfs/dbraw/zinc/13/36/77/181133677.db2.gz LRUGNWKDBAYQGL-RYUDHWBXSA-N -1 0 307.777 3.644 50 0 DHAARM Cc1cc(=O)[nH]c(SCc2c(Cl)cccc2Cl)n1 ZINC000004634971 181130867 /nfs/dbraw/zinc/13/08/67/181130867.db2.gz AXQBZGHDAKYMPZ-UHFFFAOYSA-N -1 0 301.198 3.677 50 0 DHAARM O=C([O-])CC1(CC(=O)Nc2cc(F)ccc2F)CCCCC1 ZINC000004980040 181183597 /nfs/dbraw/zinc/18/35/97/181183597.db2.gz LUQLAMZYWFVSJX-UHFFFAOYSA-N -1 0 311.328 3.719 50 0 DHAARM Cc1cc(C)c2nc(-c3ccc4c(c3)OCO4)cc(C(=O)[O-])c2c1 ZINC000006008581 181305566 /nfs/dbraw/zinc/30/55/66/181305566.db2.gz LYIDPYKNVAVDHH-UHFFFAOYSA-N -1 0 321.332 3.946 50 0 DHAARM Cc1sc(NC(=O)C[C@@H](C)CC(=O)[O-])nc1-c1ccccc1 ZINC000006527593 181349340 /nfs/dbraw/zinc/34/93/40/181349340.db2.gz ARILFEDMZPOJOX-SNVBAGLBSA-N -1 0 318.398 3.558 50 0 DHAARM Cc1ccc(NC(=O)Nc2c([O-])c3ccccc3oc2=O)cc1C ZINC000006746388 181381798 /nfs/dbraw/zinc/38/17/98/181381798.db2.gz RCSHAZZVFBUWDR-UHFFFAOYSA-N -1 0 324.336 3.759 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)s1 ZINC000006858608 181398387 /nfs/dbraw/zinc/39/83/87/181398387.db2.gz XQDJZUHNLFTFLI-UHFFFAOYSA-N -1 0 307.440 3.736 50 0 DHAARM Cc1nc(-c2c(-c3ccccc3)ncn2[C@@H](C)CC(=O)[O-])co1 ZINC000091624618 193080802 /nfs/dbraw/zinc/08/08/02/193080802.db2.gz SEZYTAMIHUGVDL-NSHDSACASA-N -1 0 311.341 3.549 50 0 DHAARM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000221915206 201596111 /nfs/dbraw/zinc/59/61/11/201596111.db2.gz SHUPYDZHCVAAEI-PIZKADEWSA-N -1 0 319.401 3.564 50 0 DHAARM Cc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C(=O)[O-] ZINC000012937301 181813855 /nfs/dbraw/zinc/81/38/55/181813855.db2.gz QIJNAFFFOOGYRF-GFCCVEGCSA-N -1 0 315.394 3.813 50 0 DHAARM Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000013166027 181835035 /nfs/dbraw/zinc/83/50/35/181835035.db2.gz SHMYRILZTXTHBR-UHFFFAOYSA-N -1 0 315.394 3.565 50 0 DHAARM CCCc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1 ZINC000017053433 182071555 /nfs/dbraw/zinc/07/15/55/182071555.db2.gz ILIKUTBESPAALJ-LCSXWQTCSA-N -1 0 315.413 3.715 50 0 DHAARM CCC(CC)c1nc2ccccc2c(NCCCC(=O)[O-])n1 ZINC000019791765 182150103 /nfs/dbraw/zinc/15/01/03/182150103.db2.gz PSBYTDPBNPRANW-UHFFFAOYSA-N -1 0 301.390 3.810 50 0 DHAARM Cc1ccc(-c2c3nc(C)cc(=O)n3[n-]c2C(F)(F)F)cc1 ZINC000021799392 182290483 /nfs/dbraw/zinc/29/04/83/182290483.db2.gz TXDGNALTFNTBOV-UHFFFAOYSA-N -1 0 307.275 3.738 50 0 DHAARM Cc1cccc(C)c1NC(=O)C[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000024837099 182392671 /nfs/dbraw/zinc/39/26/71/182392671.db2.gz ZVODVXPEDOPOOL-OAHLLOKOSA-N -1 0 315.344 3.640 50 0 DHAARM Cc1nc(Oc2cccc3c2OC(C)(C)C3)sc1C(=O)[O-] ZINC000040162893 183042825 /nfs/dbraw/zinc/04/28/25/183042825.db2.gz AXJYOLRJRIOBNN-UHFFFAOYSA-N -1 0 305.355 3.656 50 0 DHAARM COc1ccc([C@H](CC(C)C)C(=O)[O-])cc1Br ZINC000041511866 183196059 /nfs/dbraw/zinc/19/60/59/183196059.db2.gz FRXNSYCLGKFMOR-JTQLQIEISA-N -1 0 301.180 3.672 50 0 DHAARM Cc1ccc(C(=O)C=C([O-])c2ccccc2OC(C)C)c(O)c1 ZINC000105991633 194177602 /nfs/dbraw/zinc/17/76/02/194177602.db2.gz PVZPEWQLGGOSDJ-UHFFFAOYSA-N -1 0 312.365 3.944 50 0 DHAARM O=C([O-])c1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1Cl ZINC000065354768 184327331 /nfs/dbraw/zinc/32/73/31/184327331.db2.gz SYJLBFOGPLSIKI-UHFFFAOYSA-N -1 0 315.756 3.597 50 0 DHAARM Cc1n[nH]c(C)c1/C=C/c1cc(C(=O)[O-])c2ccc(F)cc2n1 ZINC000065562943 184366036 /nfs/dbraw/zinc/36/60/36/184366036.db2.gz REMIETUEQSHHSY-GQCTYLIASA-N -1 0 311.316 3.582 50 0 DHAARM O=C(Nc1cccc(Cl)c1[O-])c1cccc([C@@H]2CCOC2)c1 ZINC000408513718 257256263 /nfs/dbraw/zinc/25/62/63/257256263.db2.gz UZTNXWCAQSJIIL-CYBMUJFWSA-N -1 0 317.772 3.802 50 0 DHAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000299752241 229396661 /nfs/dbraw/zinc/39/66/61/229396661.db2.gz SZFKXNATESSMOD-GOSISDBHSA-N -1 0 323.392 3.681 50 0 DHAARM CCCCCc1ccc(-c2cnn(C)c2C(=O)[O-])c(F)c1F ZINC000534658067 334314562 /nfs/dbraw/zinc/31/45/62/334314562.db2.gz ILOQBWNBYHDITR-UHFFFAOYSA-N -1 0 308.328 3.796 50 0 DHAARM O=C([O-])c1ccc2nc(/C=C\c3cc(F)c(O)c(F)c3)oc2c1 ZINC000439269211 338365484 /nfs/dbraw/zinc/36/54/84/338365484.db2.gz GWXOUUMKDWDTSQ-RJRFIUFISA-N -1 0 317.247 3.680 50 0 DHAARM CC(C)CC(=O)Nc1ccc(N2CCC(C)CC2)cc1C(=O)[O-] ZINC000021885980 535380572 /nfs/dbraw/zinc/38/05/72/535380572.db2.gz IUMCVRMYCHVHLO-UHFFFAOYSA-N -1 0 318.417 3.606 50 0 DHAARM O=c1oc2cc([O-])ccc2cc1-c1cccc(Br)c1 ZINC000000057817 563912686 /nfs/dbraw/zinc/91/26/86/563912686.db2.gz XQBJCRXLZYNHQP-UHFFFAOYSA-N -1 0 317.138 3.928 50 0 biogenic,in-vitro DHAARM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ncc(C)s1 ZINC000096415643 563936878 /nfs/dbraw/zinc/93/68/78/563936878.db2.gz JICFRHJGLQOIDS-NSHDSACASA-N -1 0 310.806 3.692 50 0 DHAARM O=C([O-])C[C@@H](c1ccccc1)c1cccc(Br)c1O ZINC000023550115 563450769 /nfs/dbraw/zinc/45/07/69/563450769.db2.gz QOOGKPUYRCEKRD-LBPRGKRZSA-N -1 0 321.170 3.761 50 0 DHAARM O=C([O-])Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000000001631 563211069 /nfs/dbraw/zinc/21/10/69/563211069.db2.gz XVUQHFRQHBLHQD-UHFFFAOYSA-N -1 0 312.756 3.820 50 0 in-man DHAARM CC1(C)S[C@@H](c2ccc(Cl)cc2Cl)N[C@@H]1C(=O)[O-] ZINC000000134501 563222395 /nfs/dbraw/zinc/22/23/95/563222395.db2.gz YRSQTILUDWVTDT-ZJUUUORDSA-N -1 0 306.214 3.560 50 0 DHAARM Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2o1 ZINC000000172227 563227276 /nfs/dbraw/zinc/22/72/76/563227276.db2.gz ODOJVKAUSFQFTI-UHFFFAOYSA-N -1 0 322.773 3.590 50 0 DHAARM O=C([O-])C1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000000194731 563229822 /nfs/dbraw/zinc/22/98/22/563229822.db2.gz FKWFXZSYVLLCLG-UHFFFAOYSA-N -1 0 322.817 3.765 50 0 DHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000243218 563232952 /nfs/dbraw/zinc/23/29/52/563232952.db2.gz IJDPTPLIVARLPT-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000000384635 563248422 /nfs/dbraw/zinc/24/84/22/563248422.db2.gz UTIYMZCKKLKTRO-UHFFFAOYSA-N -1 0 323.389 3.759 50 0 DHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000000461744 563258937 /nfs/dbraw/zinc/25/89/37/563258937.db2.gz VSMUYYFJVFSVCA-RYUDHWBXSA-N -1 0 316.184 3.823 50 0 DHAARM C[C@H](C(=O)[O-])N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000002032941 563298304 /nfs/dbraw/zinc/29/83/04/563298304.db2.gz YQVMVCCFZCMYQB-SNVBAGLBSA-N -1 0 321.735 3.599 50 0 in-vitro DHAARM CCCCc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000002165657 563335988 /nfs/dbraw/zinc/33/59/88/563335988.db2.gz USMZNCYKXHVHAM-JKSUJKDBSA-N -1 0 301.386 3.635 50 0 DHAARM O=C([O-])c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000007603931 563340080 /nfs/dbraw/zinc/34/00/80/563340080.db2.gz VSTNSBIMTYJAGR-UHFFFAOYSA-N -1 0 307.143 3.726 50 0 DHAARM CC(C)COc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000008723007 563349826 /nfs/dbraw/zinc/34/98/26/563349826.db2.gz WSXYVWNIJHEZJR-ZIAGYGMSSA-N -1 0 319.401 3.551 50 0 DHAARM O=c1cc(-c2ccc(F)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000008738046 563350158 /nfs/dbraw/zinc/35/01/58/563350158.db2.gz SEJVWTWBWUMNRD-UHFFFAOYSA-N -1 0 311.341 3.581 50 0 DHAARM O=C([O-])Cn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000009219683 563352932 /nfs/dbraw/zinc/35/29/32/563352932.db2.gz QBGQHQHUBGJWIX-UHFFFAOYSA-N -1 0 316.360 3.865 50 0 DHAARM O=c1nc[n-]c2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 ZINC000009327367 563352956 /nfs/dbraw/zinc/35/29/56/563352956.db2.gz SCAHDDOKWGYCKS-UHFFFAOYSA-N -1 0 323.377 3.672 50 0 DHAARM Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000011823557 563359681 /nfs/dbraw/zinc/35/96/81/563359681.db2.gz SOXDTQQAMFUILN-AWEZNQCLSA-N -1 0 321.170 3.962 50 0 DHAARM O=C(N[C@@H]1CCCc2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000028642953 563431971 /nfs/dbraw/zinc/43/19/71/563431971.db2.gz UQEGIUFQTRXDQV-OAHLLOKOSA-N -1 0 301.773 3.853 50 0 DHAARM CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000044831603 563462473 /nfs/dbraw/zinc/46/24/73/563462473.db2.gz NGTMPMYOERDTFV-HNNXBMFYSA-N -1 0 315.369 3.533 50 0 DHAARM Cc1ccnc([C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C2CC2)c1 ZINC000067713499 563489502 /nfs/dbraw/zinc/48/95/02/563489502.db2.gz STESACKPLQSENH-INIZCTEOSA-N -1 0 316.788 3.630 50 0 DHAARM CCCOCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000127693187 563520489 /nfs/dbraw/zinc/52/04/89/563520489.db2.gz KHILWAWDPAIWBG-UHFFFAOYSA-N -1 0 312.580 3.718 50 0 DHAARM Cc1ccc(NC(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1C ZINC000000097667 563536392 /nfs/dbraw/zinc/53/63/92/563536392.db2.gz AOWNFIRTSCJTCQ-KBXCAEBGSA-N -1 0 303.402 3.769 50 0 DHAARM Cc1cc(C)nc(-n2[n-]c(-c3cccc4ccccc43)cc2=O)n1 ZINC000100131877 563546583 /nfs/dbraw/zinc/54/65/83/563546583.db2.gz CDHJWTKEPRZRQS-UHFFFAOYSA-N -1 0 316.364 3.805 50 0 DHAARM O=C([O-])[C@H]1CC[C@@H](C(=O)c2cccc(Br)c2)CC1 ZINC000100449864 563550887 /nfs/dbraw/zinc/55/08/87/563550887.db2.gz PNLUUWXXVKDKPP-MGCOHNPYSA-N -1 0 311.175 3.523 50 0 DHAARM O=C(C=C([O-])c1ccc(OCc2ccccc2)cc1)C(F)(F)F ZINC000100475856 563550932 /nfs/dbraw/zinc/55/09/32/563550932.db2.gz ICPXKFWSKKAXBH-UHFFFAOYSA-N -1 0 322.282 3.970 50 0 DHAARM CCc1ccccc1NC(=O)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC000000201636 563577786 /nfs/dbraw/zinc/57/77/86/563577786.db2.gz GYBJKLPNGVEWNK-UHFFFAOYSA-N -1 0 322.364 3.610 50 0 DHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000000191392 563628456 /nfs/dbraw/zinc/62/84/56/563628456.db2.gz IENKBVGYKUVPPX-BDAKNGLRSA-N -1 0 314.168 3.599 50 0 DHAARM O=C([O-])c1ccccc1C(=O)c1ccc2c3c(cccc31)CC2 ZINC000000299771 563629197 /nfs/dbraw/zinc/62/91/97/563629197.db2.gz ZEWLGPFHBSBEEG-UHFFFAOYSA-N -1 0 302.329 3.868 50 0 DHAARM O=c1nc(CN2CCC[C@H]2c2ccsc2)[n-]c2ccsc21 ZINC000044977598 563687735 /nfs/dbraw/zinc/68/77/35/563687735.db2.gz FYYQJYCNLNUQLW-LBPRGKRZSA-N -1 0 317.439 3.796 50 0 DHAARM CC(C)(C)C(=O)Nc1ccc(N2CCCCCC2)cc1C(=O)[O-] ZINC000045967562 563690962 /nfs/dbraw/zinc/69/09/62/563690962.db2.gz JPGXHHOBLHQKLA-UHFFFAOYSA-N -1 0 318.417 3.750 50 0 DHAARM O=C([O-])CCS[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000019909866 563695413 /nfs/dbraw/zinc/69/54/13/563695413.db2.gz BBYYKWWXVFHPOI-GFCCVEGCSA-N -1 0 303.305 3.979 50 0 DHAARM COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1O ZINC000006948467 563709686 /nfs/dbraw/zinc/70/96/86/563709686.db2.gz BXPFNLBNCJUOSE-SOFGYWHQSA-N -1 0 321.332 3.818 50 0 DHAARM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccco1 ZINC000000798261 563716826 /nfs/dbraw/zinc/71/68/26/563716826.db2.gz XRPPCBRVBFSZKT-UHFFFAOYSA-N -1 0 313.334 3.959 50 0 DHAARM Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000096298122 563762951 /nfs/dbraw/zinc/76/29/51/563762951.db2.gz WFZFSMOTSSYDTH-YFHOEESVSA-N -1 0 312.369 3.675 50 0 DHAARM Fc1cc(Br)c(F)c(Br)c1[S-] ZINC000263623049 563794612 /nfs/dbraw/zinc/79/46/12/563794612.db2.gz DFMAJROWVVAZMM-UHFFFAOYSA-N -1 0 303.953 3.779 50 0 DHAARM COc1cc(Cl)cc(C=C2SC(=S)NC2=O)c1OC ZINC000001168608 563790471 /nfs/dbraw/zinc/79/04/71/563790471.db2.gz MHEJFXVKEMZQRE-RUDMXATFSA-N -1 0 315.803 3.686 50 0 DHAARM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183757521 563796315 /nfs/dbraw/zinc/79/63/15/563796315.db2.gz CCQCBDMTJPVGRW-SNVBAGLBSA-N -1 0 313.309 3.557 50 0 DHAARM Cc1ccc(N[C@H](c2ccc(F)c(F)c2)[P@@](=O)([O-])O)cc1 ZINC000012523583 563797491 /nfs/dbraw/zinc/79/74/91/563797491.db2.gz DIYUIHZKACJXBU-AWEZNQCLSA-N -1 0 313.240 3.562 50 0 DHAARM O=c1c2ccc(Cl)cc2nc(-c2ccccc2Cl)n1[O-] ZINC000001401797 563818674 /nfs/dbraw/zinc/81/86/74/563818674.db2.gz FXMYJIFTMZOCGY-UHFFFAOYSA-N -1 0 307.136 3.608 50 0 DHAARM O=C([O-])c1ccccc1SCc1nc(-c2ccccc2)no1 ZINC000012750341 563823800 /nfs/dbraw/zinc/82/38/00/563823800.db2.gz TYTWZXRVATWDNS-UHFFFAOYSA-N -1 0 312.350 3.727 50 0 DHAARM Nc1nnc(SCCCCCCCCCCC(=O)[O-])s1 ZINC000085392146 563836073 /nfs/dbraw/zinc/83/60/73/563836073.db2.gz FMWMPJPCVYHVKQ-UHFFFAOYSA-N -1 0 317.480 3.808 50 0 DHAARM Cc1ccc(C(=O)C(C#N)=NNc2ccccc2C(=O)[O-])cc1 ZINC000252614752 563887883 /nfs/dbraw/zinc/88/78/83/563887883.db2.gz JMSOYBFILSLRPT-OAHLLOKOSA-N -1 0 307.309 3.552 50 0 DHAARM CC[C@H](C)[C@@H](Nc1nc(C)nc2c3ccccc3oc21)C(=O)[O-] ZINC000006954255 563900561 /nfs/dbraw/zinc/90/05/61/563900561.db2.gz VBWVTQZYKNGRSQ-TVQRCGJNSA-N -1 0 313.357 3.596 50 0 DHAARM Cc1nc(Nc2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000095929476 563932054 /nfs/dbraw/zinc/93/20/54/563932054.db2.gz KGCVTHPGEQDPJJ-UHFFFAOYSA-N -1 0 318.276 3.792 50 0 DHAARM O=C([O-])c1coc(C(=O)Nc2cc(-c3ccco3)ccc2F)c1 ZINC000097115276 563937857 /nfs/dbraw/zinc/93/78/57/563937857.db2.gz XXHCABKOTDAUFA-UHFFFAOYSA-N -1 0 315.256 3.629 50 0 DHAARM CCOCCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000002961704 563941404 /nfs/dbraw/zinc/94/14/04/563941404.db2.gz ISFNKPJTIHQHGJ-UHFFFAOYSA-N -1 0 320.439 3.700 50 0 DHAARM O=C([O-])[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1Cl ZINC000263402944 563945673 /nfs/dbraw/zinc/94/56/73/563945673.db2.gz IRYKCLLKUDDPEP-SNVBAGLBSA-N -1 0 306.164 3.572 50 0 DHAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008105127 563946678 /nfs/dbraw/zinc/94/66/78/563946678.db2.gz VHNJZWMXOKYRED-UHFFFAOYSA-N -1 0 317.744 3.727 50 0 DHAARM CCCc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)sc1C ZINC000008392056 563948362 /nfs/dbraw/zinc/94/83/62/563948362.db2.gz LWPDSSHOYUFTGZ-UHFFFAOYSA-N -1 0 317.410 3.637 50 0 DHAARM Cc1ccc(-c2noc(-c3cc4ccc([O-])cc4oc3=O)n2)cc1 ZINC000009940947 563958042 /nfs/dbraw/zinc/95/80/42/563958042.db2.gz MPGXUYJPRVUFOS-UHFFFAOYSA-N -1 0 320.304 3.524 50 0 DHAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1 ZINC000044672166 568413016 /nfs/dbraw/zinc/41/30/16/568413016.db2.gz GUYHUCPHAZNXCB-UHFFFAOYSA-N -1 0 312.756 3.950 50 0 DHAARM Cc1scc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC000399949400 605026053 /nfs/dbraw/zinc/02/60/53/605026053.db2.gz YSJPULUARJZZQJ-CYBMUJFWSA-N -1 0 315.394 3.584 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)cc1Cl ZINC000331036636 1013853204 /nfs/dbraw/zinc/85/32/04/1013853204.db2.gz BJKLHYJLZYAVPZ-UHFFFAOYSA-N -1 0 314.794 3.561 50 0 DHAARM Cc1[n-]n(-c2nc(-c3cc4ccccc4[nH]3)cs2)c(=O)c1C ZINC000102572664 1020328861 /nfs/dbraw/zinc/32/88/61/1020328861.db2.gz SBNRZEJIABEAGD-SECBINFHSA-N -1 0 310.382 3.650 50 0 DHAARM COc1ccc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)cc1O ZINC000095972657 1020375818 /nfs/dbraw/zinc/37/58/18/1020375818.db2.gz JMDPFVZRTFAMDW-QHHAFSJGSA-N -1 0 321.332 3.818 50 0 DHAARM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccccc1F ZINC000095460467 185370792 /nfs/dbraw/zinc/37/07/92/185370792.db2.gz XUZWHSMZQNZEKP-UHFFFAOYSA-N -1 0 316.357 3.622 50 0 DHAARM CCc1c(C)nc2ccc(OC)cc2c1SCCC(=O)[O-] ZINC000000036346 180673482 /nfs/dbraw/zinc/67/34/82/180673482.db2.gz ZXROLNXCQXEODS-UHFFFAOYSA-N -1 0 305.399 3.681 50 0 DHAARM Cc1nc2ccccc2nc1S[C@@H](C(=O)[O-])c1ccccc1 ZINC000000128034 180701578 /nfs/dbraw/zinc/70/15/78/180701578.db2.gz UOLSWHXXSYZOKV-OAHLLOKOSA-N -1 0 310.378 3.856 50 0 DHAARM Cc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(=O)[O-])cc1 ZINC000001941793 180903323 /nfs/dbraw/zinc/90/33/23/180903323.db2.gz CXPXSRHAVTUUQR-UHFFFAOYSA-N -1 0 324.332 3.540 50 0 DHAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000002389806 180922246 /nfs/dbraw/zinc/92/22/46/180922246.db2.gz NGWQIBYYDHXJJR-CQSZACIVSA-N -1 0 321.417 3.505 50 0 DHAARM Cc1cccc(Cl)c1NC(=O)c1ccccc1CC(=O)[O-] ZINC000002543658 180933763 /nfs/dbraw/zinc/93/37/63/180933763.db2.gz PNOUAVCTKRYFMH-UHFFFAOYSA-N -1 0 303.745 3.528 50 0 DHAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000002585848 180938085 /nfs/dbraw/zinc/93/80/85/180938085.db2.gz NCQJBPXXRXOIJD-OAHLLOKOSA-N -1 0 315.369 3.880 50 0 DHAARM COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)[O-])c1 ZINC000003394788 181014781 /nfs/dbraw/zinc/01/47/81/181014781.db2.gz NBUIXPYWAMPNLW-UHFFFAOYSA-N -1 0 308.337 3.555 50 0 DHAARM COc1ccc([C@@H]2C(C(=O)[O-])=C(C)O[C@@H]2c2ccccc2)cc1 ZINC000004839600 181160463 /nfs/dbraw/zinc/16/04/63/181160463.db2.gz OMHMWPXVJHSGLF-QZTJIDSGSA-N -1 0 310.349 3.909 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004990577 181185902 /nfs/dbraw/zinc/18/59/02/181185902.db2.gz SUEJGYILKDAFBF-VHSXEESVSA-N -1 0 316.184 3.823 50 0 DHAARM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000005249359 181221600 /nfs/dbraw/zinc/22/16/00/181221600.db2.gz GZZYQIHYBAISFW-UHFFFAOYSA-N -1 0 304.415 3.533 50 0 DHAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005344496 181232588 /nfs/dbraw/zinc/23/25/88/181232588.db2.gz XAKDDFGMUSJFHS-AWEZNQCLSA-N -1 0 306.720 3.920 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)cc1 ZINC000005941830 181299072 /nfs/dbraw/zinc/29/90/72/181299072.db2.gz LEDHIHBPHFWOJH-UHFFFAOYSA-N -1 0 318.423 3.714 50 0 DHAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(Cl)cc1 ZINC000006416372 181339464 /nfs/dbraw/zinc/33/94/64/181339464.db2.gz GUNAQMOSYHZMAJ-UHFFFAOYSA-N -1 0 318.785 3.689 50 0 DHAARM CCc1cc2c(cc1[O-])oc(C)c(-c1nc(C)cs1)c2=O ZINC000006519573 181348726 /nfs/dbraw/zinc/34/87/26/181348726.db2.gz LHOJKLKIPLKANQ-UHFFFAOYSA-N -1 0 301.367 3.801 50 0 biogenic DHAARM Cc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000013249857 181838777 /nfs/dbraw/zinc/83/87/77/181838777.db2.gz DFSMDFYPFAGFTK-LJQANCHMSA-N -1 0 311.381 3.675 50 0 DHAARM CCn1nccc1-c1cc(C(=O)[O-])c2ccc(Cl)c(C)c2n1 ZINC000017053564 182071321 /nfs/dbraw/zinc/07/13/21/182071321.db2.gz RPKJAAAGMLVELC-UHFFFAOYSA-N -1 0 315.760 3.778 50 0 DHAARM CCCc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1 ZINC000017053430 182071458 /nfs/dbraw/zinc/07/14/58/182071458.db2.gz ILIKUTBESPAALJ-MMADZMRASA-N -1 0 315.413 3.715 50 0 DHAARM COc1ccc(Oc2ncc(-c3ccc(C(=O)[O-])cc3)cn2)cc1 ZINC000032918502 182679699 /nfs/dbraw/zinc/67/96/99/182679699.db2.gz XVFFYEMDLKYLEY-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM O=C([O-])c1ccccc1-c1nnc(-c2ccccc2Cl)o1 ZINC000039219448 183014711 /nfs/dbraw/zinc/01/47/11/183014711.db2.gz GQZDHSAELUMAAQ-UHFFFAOYSA-N -1 0 300.701 3.755 50 0 DHAARM CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCCC2 ZINC000041128009 183169617 /nfs/dbraw/zinc/16/96/17/183169617.db2.gz YDGATRMZEMWJAW-MRXNPFEDSA-N -1 0 315.413 3.670 50 0 DHAARM Cc1cccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)c1 ZINC000057354771 184035444 /nfs/dbraw/zinc/03/54/44/184035444.db2.gz UFQCCCWNQXCJIQ-UHFFFAOYSA-N -1 0 303.321 3.554 50 0 DHAARM C[C@H](Oc1ccccc1-c1ccc(F)c2cccnc21)C(=O)[O-] ZINC000534578316 334288459 /nfs/dbraw/zinc/28/84/59/334288459.db2.gz KIPBVNCABQWNPN-NSHDSACASA-N -1 0 311.312 3.893 50 0 DHAARM Cc1ccc(-c2ccnc(-c3ccccc3C(=O)[O-])n2)c(C)n1 ZINC000071404039 518188104 /nfs/dbraw/zinc/18/81/04/518188104.db2.gz DMGNZESMWXVMPD-UHFFFAOYSA-N -1 0 305.337 3.521 50 0 DHAARM Cc1ccc2c(Br)cc(Br)c([O-])c2n1 ZINC000000001061 563211115 /nfs/dbraw/zinc/21/11/15/563211115.db2.gz BNACJQWJZKPAPV-UHFFFAOYSA-N -1 0 316.980 3.774 50 0 in-man DHAARM CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)[O-] ZINC000000133467 563222089 /nfs/dbraw/zinc/22/20/89/563222089.db2.gz IKYWZDUHMPQLFU-UHFFFAOYSA-N -1 0 313.353 3.526 50 0 DHAARM O=C([O-])CCn1c2ccccc2nc1SC1CCCCC1 ZINC000000175910 563227781 /nfs/dbraw/zinc/22/77/81/563227781.db2.gz RIRVBNUFCXDFFO-UHFFFAOYSA-N -1 0 304.415 3.936 50 0 DHAARM O=C([O-])c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCC2 ZINC000000227472 563231390 /nfs/dbraw/zinc/23/13/90/563231390.db2.gz QKYJCICPUCVLKV-UHFFFAOYSA-N -1 0 321.785 3.841 50 0 DHAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccccc1Cl ZINC000000295253 563237379 /nfs/dbraw/zinc/23/73/79/563237379.db2.gz ONIVLLCIMWKBIA-UHFFFAOYSA-N -1 0 320.172 3.933 50 0 DHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000395835 563249859 /nfs/dbraw/zinc/24/98/59/563249859.db2.gz LYZHACBAFNUCLH-UHFFFAOYSA-N -1 0 310.136 3.944 50 0 DHAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000001397619 563282910 /nfs/dbraw/zinc/28/29/10/563282910.db2.gz HLPRCQVUCNWKGB-CQSZACIVSA-N -1 0 306.720 3.920 50 0 DHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000001640131 563288553 /nfs/dbraw/zinc/28/85/53/563288553.db2.gz HPVQBLAIZMVNQY-VHSXEESVSA-N -1 0 315.291 3.535 50 0 DHAARM CCCCCCc1c(C)c2ccc(OCC(=O)[O-])cc2oc1=O ZINC000002479764 563303737 /nfs/dbraw/zinc/30/37/37/563303737.db2.gz RLKNMGYLNXTJGA-UHFFFAOYSA-N -1 0 318.369 3.688 50 0 DHAARM CCCCc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000002165659 563335799 /nfs/dbraw/zinc/33/57/99/563335799.db2.gz USMZNCYKXHVHAM-HZPDHXFCSA-N -1 0 301.386 3.635 50 0 DHAARM CCCCc1nc2ccccc2n1C(=O)c1ccccc1C(=O)[O-] ZINC000002666077 563338607 /nfs/dbraw/zinc/33/86/07/563338607.db2.gz YXZADPWPIUBMMD-UHFFFAOYSA-N -1 0 322.364 3.766 50 0 DHAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000002785255 563342104 /nfs/dbraw/zinc/34/21/04/563342104.db2.gz ZFMUSQWLOGHDLA-UHFFFAOYSA-N -1 0 318.398 3.539 50 0 DHAARM CCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000002797288 563342607 /nfs/dbraw/zinc/34/26/07/563342607.db2.gz HRFBCRAAFBIOTO-HZPDHXFCSA-N -1 0 301.386 3.635 50 0 DHAARM CCCCCCC1C(=O)N=C(SCc2ccccc2)N=C1[O-] ZINC000013552951 563383205 /nfs/dbraw/zinc/38/32/05/563383205.db2.gz XKMHGSJQFQDQDH-UHFFFAOYSA-N -1 0 318.442 3.891 50 0 DHAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000013947661 563393349 /nfs/dbraw/zinc/39/33/49/563393349.db2.gz PUHZSBBOTOJRLF-CYBMUJFWSA-N -1 0 304.415 3.704 50 0 DHAARM COc1cccc(-n2c(CNc3ccccc3)n[n-]c2=S)c1 ZINC000026439431 563426103 /nfs/dbraw/zinc/42/61/03/563426103.db2.gz ROICSKBNXCGNGJ-UHFFFAOYSA-N -1 0 312.398 3.551 50 0 DHAARM COc1ccccc1Oc1ccc(-c2ccc(C(=O)[O-])cc2)nn1 ZINC000032918488 563444150 /nfs/dbraw/zinc/44/41/50/563444150.db2.gz GEKVFBPSUUIWMQ-UHFFFAOYSA-N -1 0 322.320 3.643 50 0 DHAARM Cc1c(C)c2c(cc1Cl)C=C(C(=O)[O-])[C@H](C(F)(F)F)O2 ZINC000034019462 563446269 /nfs/dbraw/zinc/44/62/69/563446269.db2.gz IDFHCDIRYRPEOQ-LLVKDONJSA-N -1 0 306.667 3.748 50 0 DHAARM CC(C)(C)OC(=O)N1CCC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000035571265 563453495 /nfs/dbraw/zinc/45/34/95/563453495.db2.gz IJJPVMBONQLUCI-CQSZACIVSA-N -1 0 319.401 3.574 50 0 DHAARM N#C/C(=C/c1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000070020536 563497141 /nfs/dbraw/zinc/49/71/41/563497141.db2.gz DIVJTVJPMADLJT-UITAMQMPSA-N -1 0 324.283 3.820 50 0 DHAARM COC(=O)c1oc2c3ccccc3n(-c3ccccc3)c2c1[O-] ZINC000101174247 563556569 /nfs/dbraw/zinc/55/65/69/563556569.db2.gz ZUITVCHBXUDBHR-UHFFFAOYSA-N -1 0 307.305 3.869 50 0 DHAARM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1cccc2cccnc21 ZINC000000205239 563578091 /nfs/dbraw/zinc/57/80/91/563578091.db2.gz FVMBYAFKTRDJMR-UHFFFAOYSA-N -1 0 324.405 3.524 50 0 DHAARM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1ccc(F)cc1 ZINC000000425317 563613265 /nfs/dbraw/zinc/61/32/65/563613265.db2.gz RTHXGSZWBQCMSF-UHFFFAOYSA-N -1 0 320.776 3.900 50 0 DHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000000191389 563628214 /nfs/dbraw/zinc/62/82/14/563628214.db2.gz IENKBVGYKUVPPX-RKDXNWHRSA-N -1 0 314.168 3.599 50 0 DHAARM CSc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000000069952 563628647 /nfs/dbraw/zinc/62/86/47/563628647.db2.gz NZGQMQPXRZLALG-UHFFFAOYSA-N -1 0 307.415 3.772 50 0 DHAARM O=C([O-])c1ccc(NC(=O)CSc2ccccc2Cl)cc1 ZINC000013318098 563657652 /nfs/dbraw/zinc/65/76/52/563657652.db2.gz MAFVFCVHGXAFNO-UHFFFAOYSA-N -1 0 321.785 3.769 50 0 DHAARM CC(C)(C)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000013250287 563657771 /nfs/dbraw/zinc/65/77/71/563657771.db2.gz YLNPUNKCNWAQOT-UHFFFAOYSA-N -1 0 303.402 3.958 50 0 DHAARM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2[n-]c(=S)sc2c1 ZINC000100644791 563673163 /nfs/dbraw/zinc/67/31/63/563673163.db2.gz RULDCEFLBBDYIR-AOOOYVTPSA-N -1 0 318.423 3.638 50 0 DHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000048430003 563698826 /nfs/dbraw/zinc/69/88/26/563698826.db2.gz JIAFPIOURQWDPG-UHFFFAOYSA-N -1 0 313.781 3.897 50 0 DHAARM Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000218779372 563716685 /nfs/dbraw/zinc/71/66/85/563716685.db2.gz VDXQGSUOTCDAGT-LBPRGKRZSA-N -1 0 309.793 3.508 50 0 DHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1C ZINC000012541923 563799740 /nfs/dbraw/zinc/79/97/40/563799740.db2.gz DBXMGJKAHZIPSO-UHFFFAOYSA-N -1 0 312.394 3.652 50 0 DHAARM Cc1ccc([C@H](NC(=O)c2c([O-])cc(F)cc2F)C2CC2)cc1 ZINC000084148671 563823690 /nfs/dbraw/zinc/82/36/90/563823690.db2.gz SHNOWDHRCRTZMN-KRWDZBQOSA-N -1 0 317.335 3.860 50 0 DHAARM Cc1cc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2[nH]1 ZINC000001502420 563841256 /nfs/dbraw/zinc/84/12/56/563841256.db2.gz LOTUJMAMDQXIFY-UHFFFAOYSA-N -1 0 300.383 3.586 50 0 DHAARM Cc1cc2c(c(C)c1Cl)C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2 ZINC000035929377 563847444 /nfs/dbraw/zinc/84/74/44/563847444.db2.gz UNEVTVWOSGJGLU-NSHDSACASA-N -1 0 306.667 3.748 50 0 DHAARM O=C(NCCc1ccc(Cl)cc1)c1ccc([O-])c(Cl)c1 ZINC000012922046 563854588 /nfs/dbraw/zinc/85/45/88/563854588.db2.gz WFLIATQCJNFBFW-UHFFFAOYSA-N -1 0 310.180 3.672 50 0 DHAARM Cc1ccc2[n-]cc(-c3nc(-c4ccccc4F)no3)c(=O)c2c1 ZINC000075352725 563864148 /nfs/dbraw/zinc/86/41/48/563864148.db2.gz BTUAJIULTVSUFP-UHFFFAOYSA-N -1 0 321.311 3.693 50 0 DHAARM O=C([O-])CCCSc1ncnc2sc3c(c21)CCCC3 ZINC000001811325 563881979 /nfs/dbraw/zinc/88/19/79/563881979.db2.gz JHNTZRJVXCOHTH-UHFFFAOYSA-N -1 0 308.428 3.527 50 0 DHAARM COc1ccc2ccccc2c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000252457650 563885624 /nfs/dbraw/zinc/88/56/24/563885624.db2.gz ZGIUVPRMHJLHMP-UHFFFAOYSA-N -1 0 320.348 3.993 50 0 DHAARM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3)o2)cc1 ZINC000006890402 563898711 /nfs/dbraw/zinc/89/87/11/563898711.db2.gz DTEGDUFPGODBKB-UHFFFAOYSA-N -1 0 312.350 3.727 50 0 DHAARM CCCC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1OC ZINC000002213934 563919157 /nfs/dbraw/zinc/91/91/57/563919157.db2.gz MEVOPXDUXCKJAO-CHWSQXEVSA-N -1 0 307.390 3.551 50 0 DHAARM O=c1nc(COc2ccccc2)[nH]c2scc(-c3ccco3)c21 ZINC000054753412 563919890 /nfs/dbraw/zinc/91/98/90/563919890.db2.gz RBSXYZHHGNFNJH-UHFFFAOYSA-N -1 0 324.361 3.824 50 0 DHAARM CCCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)[O-])cc1 ZINC000002307280 563925803 /nfs/dbraw/zinc/92/58/03/563925803.db2.gz IZFBBGMJTPWKCB-INIZCTEOSA-N -1 0 321.417 3.629 50 0 DHAARM Cc1nnc(S[C@H](C(=O)[O-])c2ccccc2)c2ccccc12 ZINC000009970819 563958225 /nfs/dbraw/zinc/95/82/25/563958225.db2.gz WULVLTYSPIZRMK-HNNXBMFYSA-N -1 0 310.378 3.856 50 0 DHAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1-c1ccccc1F ZINC000025761234 568412763 /nfs/dbraw/zinc/41/27/63/568412763.db2.gz DHUYNEUBSQPDDX-UHFFFAOYSA-N -1 0 300.264 3.516 50 0 DHAARM